----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:43:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.775673510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.585031479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.433298049999998 Atomic positions (fractional): *1 Er 0.63541696951872 0.99866485756874 0.69370602810063 167.259 2 Er 0.36458303048128 0.00133514243126 0.30629397189937 167.259 3 Er 0.86458303048128 0.00133514243126 0.19370602810063 167.259 4 Er 0.86458303048128 0.99866485756874 0.80629397189937 167.259 *5 Er 0.13219599796293 0.00000000000000 0.50000000000000 167.259 6 Er 0.13541696951872 0.00133514243126 0.19370602810063 167.259 7 Er 0.86780400203707 0.00000000000000 0.50000000000000 167.259 8 Er 0.63541696951872 0.00133514243126 0.30629397189937 167.259 9 Er 0.63219599796293 0.00000000000000 0.00000000000000 167.259 10 Er 0.36458303048128 0.99866485756874 0.69370602810063 167.259 11 Er 0.13541696951872 0.99866485756874 0.80629397189937 167.259 12 Er 0.36780400203707 0.00000000000000 0.00000000000000 167.259 *13 B 0.33830406936846 0.50000000000000 0.50000000000000 10.811 14 B 0.83830406936846 0.50000000000000 0.00000000000000 10.811 *15 B 0.50000000000000 0.53695464241060 0.84989145665437 10.811 *16 B 0.70200004691406 0.53172297594861 0.15087379966202 10.811 17 B 0.00000000000000 0.53695464241060 0.65010854334563 10.811 18 B 0.20200004691406 0.46827702405139 0.65087379966202 10.811 19 B 0.79799995308594 0.53172297594861 0.34912620033798 10.811 *20 B 0.50000000000000 0.45661572071406 0.37374890395646 10.811 21 B 0.16169593063154 0.50000000000000 0.00000000000000 10.811 22 B 0.70200004691406 0.46827702405139 0.84912620033798 10.811 23 B 0.00000000000000 0.45661572071406 0.12625109604353 10.811 24 B 0.00000000000000 0.46304535758940 0.34989145665437 10.811 25 B 0.29799995308594 0.46827702405139 0.84912620033798 10.811 26 B 0.50000000000000 0.46304535758940 0.15010854334563 10.811 27 B 0.79799995308594 0.46827702405139 0.65087379966202 10.811 28 B 0.50000000000000 0.54338427928594 0.62625109604354 10.811 29 B 0.00000000000000 0.54338427928594 0.87374890395646 10.811 30 B 0.29799995308594 0.53172297594861 0.15087379966202 10.811 31 B 0.66169593063154 0.50000000000000 0.50000000000000 10.811 32 B 0.20200004691406 0.53172297594861 0.34912620033798 10.811 *33 O 0.73333786706455 0.30887120590983 0.56449659214457 15.999 *34 O 0.40506217470137 0.66080760835511 0.14540991437628 15.999 *35 O 0.40398707227736 0.66526436694425 0.57424458032725 15.999 36 O 0.76666213293545 0.30887120590983 0.93550340785543 15.999 *37 O 0.25000000000000 0.65825402293744 0.25000000000000 15.999 38 O 0.90398707227736 0.66526436694425 0.92575541967275 15.999 39 O 0.26666213293545 0.69112879409017 0.43550340785543 15.999 *40 O 0.00000000000000 0.24168321791588 0.42974916098792 15.999 41 O 0.59601292772264 0.33473563305575 0.42575541967275 15.999 *42 O 0.70412766711946 0.77971786157481 0.84840916210307 15.999 43 O 0.75000000000000 0.34174597706256 0.75000000000000 15.999 44 O 0.26666213293545 0.30887120590983 0.56449659214457 15.999 45 O 0.76666213293545 0.69112879409017 0.06449659214457 15.999 46 O 0.29587233288054 0.22028213842519 0.15159083789693 15.999 47 O 0.50000000000000 0.24168321791588 0.07025083901208 15.999 *48 O 0.00000000000000 0.69540437855961 0.76164546955703 15.999 *49 O 0.50000000000000 0.76051516373147 0.36057700994732 15.999 50 O 0.23333786706455 0.69112879409017 0.06449659214457 15.999 51 O 0.09493782529863 0.66080760835511 0.35459008562372 15.999 52 O 0.59493782529863 0.33919239164489 0.85459008562372 15.999 53 O 0.25000000000000 0.34174597706256 0.75000000000000 15.999 54 O 0.75000000000000 0.65825402293744 0.25000000000000 15.999 55 O 0.40506217470137 0.33919239164489 0.85459008562372 15.999 56 O 0.09601292772264 0.66526436694425 0.92575541967275 15.999 57 O 0.90398707227736 0.33473563305575 0.07424458032725 15.999 58 O 0.79587233288054 0.77971786157481 0.65159083789693 15.999 59 O 0.00000000000000 0.75831678208412 0.57025083901208 15.999 60 O 0.79587233288054 0.22028213842519 0.34840916210307 15.999 61 O 0.50000000000000 0.69540437855961 0.73835453044297 15.999 62 O 0.29587233288054 0.77971786157481 0.84840916210307 15.999 63 O 0.23333786706455 0.30887120590983 0.93550340785543 15.999 64 O 0.59493782529863 0.66080760835511 0.14540991437628 15.999 65 O 0.50000000000000 0.30459562144039 0.26164546955703 15.999 66 O 0.59601292772264 0.66526436694425 0.57424458032725 15.999 67 O 0.00000000000000 0.23948483626853 0.86057700994732 15.999 68 O 0.20412766711946 0.22028213842519 0.34840916210307 15.999 69 O 0.20412766711946 0.77971786157481 0.65159083789693 15.999 70 O 0.90506217470137 0.66080760835511 0.35459008562372 15.999 71 O 0.40398707227736 0.33473563305575 0.42575541967275 15.999 72 O 0.70412766711946 0.22028213842519 0.15159083789693 15.999 73 O 0.09601292772264 0.33473563305575 0.07424458032725 15.999 74 O 0.73333786706455 0.69112879409017 0.43550340785543 15.999 75 O 0.90506217470137 0.33919239164489 0.64540991437628 15.999 76 O 0.00000000000000 0.76051516373147 0.13942299005268 15.999 77 O 0.50000000000000 0.75831678208412 0.92974916098792 15.999 78 O 0.09493782529863 0.33919239164489 0.64540991437628 15.999 79 O 0.50000000000000 0.23948483626853 0.63942299005268 15.999 80 O 0.00000000000000 0.30459562144039 0.23835453044297 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.775673510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.585031479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.433298049999998 Atomic positions (fractional): *1 Er 0.63541696951872 0.99866485756874 0.69370602810063 167.259 > 1 2 Er 0.36458303048128 0.00133514243126 0.30629397189937 167.259 > 2 3 Er 0.86458303048128 0.00133514243126 0.19370602810063 167.259 > 3 4 Er 0.86458303048128 0.99866485756874 0.80629397189937 167.259 > 4 *5 Er 0.13219599796293 0.00000000000000 0.50000000000000 167.259 > 5 6 Er 0.13541696951872 0.00133514243126 0.19370602810063 167.259 > 6 7 Er 0.86780400203707 0.00000000000000 0.50000000000000 167.259 > 7 8 Er 0.63541696951872 0.00133514243126 0.30629397189937 167.259 > 8 9 Er 0.63219599796293 0.00000000000000 0.00000000000000 167.259 > 9 10 Er 0.36458303048128 0.99866485756874 0.69370602810063 167.259 > 10 11 Er 0.13541696951872 0.99866485756874 0.80629397189937 167.259 > 11 12 Er 0.36780400203707 0.00000000000000 0.00000000000000 167.259 > 12 *13 B 0.33830406936846 0.50000000000000 0.50000000000000 10.811 > 13 14 B 0.83830406936846 0.50000000000000 0.00000000000000 10.811 > 14 *15 B 0.50000000000000 0.53695464241060 0.84989145665437 10.811 > 15 *16 B 0.70200004691406 0.53172297594861 0.15087379966202 10.811 > 16 17 B 0.00000000000000 0.53695464241060 0.65010854334563 10.811 > 17 18 B 0.20200004691406 0.46827702405139 0.65087379966202 10.811 > 18 19 B 0.79799995308594 0.53172297594861 0.34912620033798 10.811 > 19 *20 B 0.50000000000000 0.45661572071406 0.37374890395646 10.811 > 20 21 B 0.16169593063154 0.50000000000000 0.00000000000000 10.811 > 21 22 B 0.70200004691406 0.46827702405139 0.84912620033798 10.811 > 22 23 B 0.00000000000000 0.45661572071406 0.12625109604353 10.811 > 23 24 B 0.00000000000000 0.46304535758940 0.34989145665437 10.811 > 24 25 B 0.29799995308594 0.46827702405139 0.84912620033798 10.811 > 25 26 B 0.50000000000000 0.46304535758940 0.15010854334563 10.811 > 26 27 B 0.79799995308594 0.46827702405139 0.65087379966202 10.811 > 27 28 B 0.50000000000000 0.54338427928594 0.62625109604354 10.811 > 28 29 B 0.00000000000000 0.54338427928594 0.87374890395646 10.811 > 29 30 B 0.29799995308594 0.53172297594861 0.15087379966202 10.811 > 30 31 B 0.66169593063154 0.50000000000000 0.50000000000000 10.811 > 31 32 B 0.20200004691406 0.53172297594861 0.34912620033798 10.811 > 32 *33 O 0.73333786706455 0.30887120590983 0.56449659214457 15.999 > 33 *34 O 0.40506217470137 0.66080760835511 0.14540991437628 15.999 > 34 *35 O 0.40398707227736 0.66526436694425 0.57424458032725 15.999 > 35 36 O 0.76666213293545 0.30887120590983 0.93550340785543 15.999 > 36 *37 O 0.25000000000000 0.65825402293744 0.25000000000000 15.999 > 37 38 O 0.90398707227736 0.66526436694425 0.92575541967275 15.999 > 38 39 O 0.26666213293545 0.69112879409017 0.43550340785543 15.999 > 39 *40 O 0.00000000000000 0.24168321791588 0.42974916098792 15.999 > 40 41 O 0.59601292772264 0.33473563305575 0.42575541967275 15.999 > 41 *42 O 0.70412766711946 0.77971786157481 0.84840916210307 15.999 > 42 43 O 0.75000000000000 0.34174597706256 0.75000000000000 15.999 > 43 44 O 0.26666213293545 0.30887120590983 0.56449659214457 15.999 > 44 45 O 0.76666213293545 0.69112879409017 0.06449659214457 15.999 > 45 46 O 0.29587233288054 0.22028213842519 0.15159083789693 15.999 > 46 47 O 0.50000000000000 0.24168321791588 0.07025083901208 15.999 > 47 *48 O 0.00000000000000 0.69540437855961 0.76164546955703 15.999 > 48 *49 O 0.50000000000000 0.76051516373147 0.36057700994732 15.999 > 49 50 O 0.23333786706455 0.69112879409017 0.06449659214457 15.999 > 50 51 O 0.09493782529863 0.66080760835511 0.35459008562372 15.999 > 51 52 O 0.59493782529863 0.33919239164489 0.85459008562372 15.999 > 52 53 O 0.25000000000000 0.34174597706256 0.75000000000000 15.999 > 53 54 O 0.75000000000000 0.65825402293744 0.25000000000000 15.999 > 54 55 O 0.40506217470137 0.33919239164489 0.85459008562372 15.999 > 55 56 O 0.09601292772264 0.66526436694425 0.92575541967275 15.999 > 56 57 O 0.90398707227736 0.33473563305575 0.07424458032725 15.999 > 57 58 O 0.79587233288054 0.77971786157481 0.65159083789693 15.999 > 58 59 O 0.00000000000000 0.75831678208412 0.57025083901208 15.999 > 59 60 O 0.79587233288054 0.22028213842519 0.34840916210307 15.999 > 60 61 O 0.50000000000000 0.69540437855961 0.73835453044297 15.999 > 61 62 O 0.29587233288054 0.77971786157481 0.84840916210307 15.999 > 62 63 O 0.23333786706455 0.30887120590983 0.93550340785543 15.999 > 63 64 O 0.59493782529863 0.66080760835511 0.14540991437628 15.999 > 64 65 O 0.50000000000000 0.30459562144039 0.26164546955703 15.999 > 65 66 O 0.59601292772264 0.66526436694425 0.57424458032725 15.999 > 66 67 O 0.00000000000000 0.23948483626853 0.86057700994732 15.999 > 67 68 O 0.20412766711946 0.22028213842519 0.34840916210307 15.999 > 68 69 O 0.20412766711946 0.77971786157481 0.65159083789693 15.999 > 69 70 O 0.90506217470137 0.66080760835511 0.35459008562372 15.999 > 70 71 O 0.40398707227736 0.33473563305575 0.42575541967275 15.999 > 71 72 O 0.70412766711946 0.22028213842519 0.15159083789693 15.999 > 72 73 O 0.09601292772264 0.33473563305575 0.07424458032725 15.999 > 73 74 O 0.73333786706455 0.69112879409017 0.43550340785543 15.999 > 74 75 O 0.90506217470137 0.33919239164489 0.64540991437628 15.999 > 75 76 O 0.00000000000000 0.76051516373147 0.13942299005268 15.999 > 76 77 O 0.50000000000000 0.75831678208412 0.92974916098792 15.999 > 77 78 O 0.09493782529863 0.33919239164489 0.64540991437628 15.999 > 78 79 O 0.50000000000000 0.23948483626853 0.63942299005268 15.999 > 79 80 O 0.00000000000000 0.30459562144039 0.23835453044297 15.999 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.775673510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.585031479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.433298049999998 Atomic positions (fractional): *1 Er 0.63541696951872 0.99866485756874 0.69370602810063 167.259 > 1 2 Er 0.36458303048128 0.00133514243126 0.30629397189937 167.259 > 2 3 Er 0.86458303048128 0.00133514243126 0.19370602810063 167.259 > 3 4 Er 0.86458303048128 0.99866485756874 0.80629397189937 167.259 > 4 *5 Er 0.13219599796293 0.00000000000000 0.50000000000000 167.259 > 5 6 Er 0.13541696951872 0.00133514243126 0.19370602810063 167.259 > 6 7 Er 0.86780400203707 0.00000000000000 0.50000000000000 167.259 > 7 8 Er 0.63541696951872 0.00133514243126 0.30629397189937 167.259 > 8 9 Er 0.63219599796293 0.00000000000000 0.00000000000000 167.259 > 9 10 Er 0.36458303048128 0.99866485756874 0.69370602810063 167.259 > 10 11 Er 0.13541696951872 0.99866485756874 0.80629397189937 167.259 > 11 12 Er 0.36780400203707 0.00000000000000 0.00000000000000 167.259 > 12 *13 B 0.33830406936846 0.50000000000000 0.50000000000000 10.811 > 13 14 B 0.83830406936846 0.50000000000000 0.00000000000000 10.811 > 14 *15 B 0.50000000000000 0.53695464241060 0.84989145665437 10.811 > 15 *16 B 0.70200004691406 0.53172297594861 0.15087379966202 10.811 > 16 17 B 0.00000000000000 0.53695464241060 0.65010854334563 10.811 > 17 18 B 0.20200004691406 0.46827702405139 0.65087379966202 10.811 > 18 19 B 0.79799995308594 0.53172297594861 0.34912620033798 10.811 > 19 *20 B 0.50000000000000 0.45661572071406 0.37374890395646 10.811 > 20 21 B 0.16169593063154 0.50000000000000 0.00000000000000 10.811 > 21 22 B 0.70200004691406 0.46827702405139 0.84912620033798 10.811 > 22 23 B 0.00000000000000 0.45661572071406 0.12625109604353 10.811 > 23 24 B 0.00000000000000 0.46304535758940 0.34989145665437 10.811 > 24 25 B 0.29799995308594 0.46827702405139 0.84912620033798 10.811 > 25 26 B 0.50000000000000 0.46304535758940 0.15010854334563 10.811 > 26 27 B 0.79799995308594 0.46827702405139 0.65087379966202 10.811 > 27 28 B 0.50000000000000 0.54338427928594 0.62625109604354 10.811 > 28 29 B 0.00000000000000 0.54338427928594 0.87374890395646 10.811 > 29 30 B 0.29799995308594 0.53172297594861 0.15087379966202 10.811 > 30 31 B 0.66169593063154 0.50000000000000 0.50000000000000 10.811 > 31 32 B 0.20200004691406 0.53172297594861 0.34912620033798 10.811 > 32 *33 O 0.73333786706455 0.30887120590983 0.56449659214457 15.999 > 33 *34 O 0.40506217470137 0.66080760835511 0.14540991437628 15.999 > 34 *35 O 0.40398707227736 0.66526436694425 0.57424458032725 15.999 > 35 36 O 0.76666213293545 0.30887120590983 0.93550340785543 15.999 > 36 *37 O 0.25000000000000 0.65825402293744 0.25000000000000 15.999 > 37 38 O 0.90398707227736 0.66526436694425 0.92575541967275 15.999 > 38 39 O 0.26666213293545 0.69112879409017 0.43550340785543 15.999 > 39 *40 O 0.00000000000000 0.24168321791588 0.42974916098792 15.999 > 40 41 O 0.59601292772264 0.33473563305575 0.42575541967275 15.999 > 41 *42 O 0.70412766711946 0.77971786157481 0.84840916210307 15.999 > 42 43 O 0.75000000000000 0.34174597706256 0.75000000000000 15.999 > 43 44 O 0.26666213293545 0.30887120590983 0.56449659214457 15.999 > 44 45 O 0.76666213293545 0.69112879409017 0.06449659214457 15.999 > 45 46 O 0.29587233288054 0.22028213842519 0.15159083789693 15.999 > 46 47 O 0.50000000000000 0.24168321791588 0.07025083901208 15.999 > 47 *48 O 0.00000000000000 0.69540437855961 0.76164546955703 15.999 > 48 *49 O 0.50000000000000 0.76051516373147 0.36057700994732 15.999 > 49 50 O 0.23333786706455 0.69112879409017 0.06449659214457 15.999 > 50 51 O 0.09493782529863 0.66080760835511 0.35459008562372 15.999 > 51 52 O 0.59493782529863 0.33919239164489 0.85459008562372 15.999 > 52 53 O 0.25000000000000 0.34174597706256 0.75000000000000 15.999 > 53 54 O 0.75000000000000 0.65825402293744 0.25000000000000 15.999 > 54 55 O 0.40506217470137 0.33919239164489 0.85459008562372 15.999 > 55 56 O 0.09601292772264 0.66526436694425 0.92575541967275 15.999 > 56 57 O 0.90398707227736 0.33473563305575 0.07424458032725 15.999 > 57 58 O 0.79587233288054 0.77971786157481 0.65159083789693 15.999 > 58 59 O 0.00000000000000 0.75831678208412 0.57025083901208 15.999 > 59 60 O 0.79587233288054 0.22028213842519 0.34840916210307 15.999 > 60 61 O 0.50000000000000 0.69540437855961 0.73835453044297 15.999 > 61 62 O 0.29587233288054 0.77971786157481 0.84840916210307 15.999 > 62 63 O 0.23333786706455 0.30887120590983 0.93550340785543 15.999 > 63 64 O 0.59493782529863 0.66080760835511 0.14540991437628 15.999 > 64 65 O 0.50000000000000 0.30459562144039 0.26164546955703 15.999 > 65 66 O 0.59601292772264 0.66526436694425 0.57424458032725 15.999 > 66 67 O 0.00000000000000 0.23948483626853 0.86057700994732 15.999 > 67 68 O 0.20412766711946 0.22028213842519 0.34840916210307 15.999 > 68 69 O 0.20412766711946 0.77971786157481 0.65159083789693 15.999 > 69 70 O 0.90506217470137 0.66080760835511 0.35459008562372 15.999 > 70 71 O 0.40398707227736 0.33473563305575 0.42575541967275 15.999 > 71 72 O 0.70412766711946 0.22028213842519 0.15159083789693 15.999 > 72 73 O 0.09601292772264 0.33473563305575 0.07424458032725 15.999 > 73 74 O 0.73333786706455 0.69112879409017 0.43550340785543 15.999 > 74 75 O 0.90506217470137 0.33919239164489 0.64540991437628 15.999 > 75 76 O 0.00000000000000 0.76051516373147 0.13942299005268 15.999 > 76 77 O 0.50000000000000 0.75831678208412 0.92974916098792 15.999 > 77 78 O 0.09493782529863 0.33919239164489 0.64540991437628 15.999 > 78 79 O 0.50000000000000 0.23948483626853 0.63942299005268 15.999 > 79 80 O 0.00000000000000 0.30459562144039 0.23835453044297 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6840531 0.0000000 0.0000000 0.0000000 3.6772567 0.0000000 0.0000000 0.0000000 3.4881333 -------------------------- Born effective charges -------------------------- 1 Er 3.9946972 0.0238812 0.2342419 0.0069628 3.9020123 0.1381404 0.1364265 0.1258467 3.1887826 2 Er 3.9946972 0.0238812 0.2342419 0.0069628 3.9020123 0.1381404 0.1364265 0.1258467 3.1887826 3 Er 3.9946972 0.0238812 -0.2342419 0.0069628 3.9020123 -0.1381404 -0.1364265 -0.1258467 3.1887826 4 Er 3.9946972 -0.0238812 0.2342419 -0.0069628 3.9020123 -0.1381404 0.1364265 -0.1258467 3.1887826 5 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 -0.0640580 -0.0000000 -0.1433292 3.7779805 6 Er 3.9946972 -0.0238812 0.2342419 -0.0069628 3.9020123 -0.1381404 0.1364265 -0.1258467 3.1887826 7 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 -0.0640580 -0.0000000 -0.1433292 3.7779805 8 Er 3.9946972 -0.0238812 -0.2342419 -0.0069628 3.9020123 0.1381404 -0.1364265 0.1258467 3.1887826 9 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 0.0640580 -0.0000000 0.1433292 3.7779805 10 Er 3.9946972 -0.0238812 -0.2342419 -0.0069628 3.9020123 0.1381404 -0.1364265 0.1258467 3.1887826 11 Er 3.9946972 0.0238812 -0.2342419 0.0069628 3.9020123 -0.1381404 -0.1364265 -0.1258467 3.1887826 12 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 0.0640580 -0.0000000 0.1433292 3.7779805 13 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 -0.0301378 -0.0000000 0.1159803 3.0728075 14 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 0.0301378 -0.0000000 -0.1159803 3.0728075 15 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 0.1740553 -0.0000000 0.1390806 2.6667843 16 B 2.3340438 0.0661128 0.0571607 0.1243276 2.7049005 0.0800012 0.0499689 -0.0518229 2.1866256 17 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 -0.1740553 -0.0000000 -0.1390806 2.6667843 18 B 2.3340438 -0.0661128 0.0571607 -0.1243276 2.7049005 -0.0800012 0.0499689 0.0518229 2.1866256 19 B 2.3340438 -0.0661128 0.0571607 -0.1243276 2.7049005 -0.0800012 0.0499689 0.0518229 2.1866256 20 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 0.0295678 -0.0000000 -0.1741740 2.2095315 21 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 0.0301378 -0.0000000 -0.1159803 3.0728075 22 B 2.3340438 -0.0661128 -0.0571607 -0.1243276 2.7049005 0.0800012 -0.0499689 -0.0518229 2.1866256 23 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 -0.0295678 -0.0000000 0.1741740 2.2095315 24 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 -0.1740553 -0.0000000 -0.1390806 2.6667843 25 B 2.3340438 0.0661128 0.0571607 0.1243276 2.7049005 0.0800012 0.0499689 -0.0518229 2.1866256 26 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 0.1740553 -0.0000000 0.1390806 2.6667843 27 B 2.3340438 0.0661128 -0.0571607 0.1243276 2.7049005 -0.0800012 -0.0499689 0.0518229 2.1866256 28 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 0.0295678 -0.0000000 -0.1741740 2.2095315 29 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 -0.0295678 -0.0000000 0.1741740 2.2095315 30 B 2.3340438 -0.0661128 -0.0571607 -0.1243276 2.7049005 0.0800012 -0.0499689 -0.0518229 2.1866256 31 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 -0.0301378 -0.0000000 0.1159803 3.0728075 32 B 2.3340438 0.0661128 -0.0571607 0.1243276 2.7049005 -0.0800012 -0.0499689 0.0518229 2.1866256 33 O -1.9670091 0.1823412 -0.2558770 0.1877546 -1.7921595 0.1158342 -0.3141420 0.0293349 -1.9973052 34 O -2.3458908 0.1943970 -0.0137757 0.3104491 -1.8700876 0.0581396 0.0427804 0.1050223 -1.5003892 35 O -2.0798597 0.1254382 -0.5578924 0.1132672 -1.7318267 -0.5505933 -0.5765937 -0.5114336 -2.0425880 36 O -1.9670091 -0.1823412 -0.2558770 -0.1877546 -1.7921595 -0.1158342 -0.3141420 -0.0293349 -1.9973052 37 O -1.8153805 -0.0000000 0.3792422 -0.0000000 -1.9240340 -0.0000000 0.3564051 0.0000000 -2.2790070 38 O -2.0798597 0.1254382 0.5578924 0.1132672 -1.7318267 0.5505933 0.5765937 0.5114336 -2.0425880 39 O -1.9670091 0.1823412 -0.2558770 0.1877546 -1.7921595 0.1158342 -0.3141420 0.0293349 -1.9973052 40 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 0.8403319 -0.0000000 0.8827789 -1.9528901 41 O -2.0798597 0.1254382 -0.5578924 0.1132672 -1.7318267 -0.5505933 -0.5765937 -0.5114336 -2.0425880 42 O -1.7442419 -0.0144780 0.1555922 -0.0147762 -2.5373063 0.0544173 0.1320477 0.0540458 -1.8141529 43 O -1.8153805 -0.0000000 0.3792422 -0.0000000 -1.9240340 -0.0000000 0.3564051 0.0000000 -2.2790070 44 O -1.9670091 -0.1823412 0.2558770 -0.1877546 -1.7921595 0.1158342 0.3141420 0.0293349 -1.9973052 45 O -1.9670091 0.1823412 0.2558770 0.1877546 -1.7921595 -0.1158342 0.3141420 -0.0293349 -1.9973052 46 O -1.7442419 -0.0144780 0.1555922 -0.0147762 -2.5373063 0.0544173 0.1320477 0.0540458 -1.8141529 47 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 -0.8403319 -0.0000000 -0.8827789 -1.9528901 48 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 -0.0694104 -0.0000000 -0.2445324 -2.3546269 49 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 0.4530350 -0.0000000 0.3850013 -1.1825255 50 O -1.9670091 -0.1823412 -0.2558770 -0.1877546 -1.7921595 -0.1158342 -0.3141420 -0.0293349 -1.9973052 51 O -2.3458908 -0.1943970 -0.0137757 -0.3104491 -1.8700876 -0.0581396 0.0427804 -0.1050223 -1.5003892 52 O -2.3458908 0.1943970 -0.0137757 0.3104491 -1.8700876 0.0581396 0.0427804 0.1050223 -1.5003892 53 O -1.8153805 -0.0000000 -0.3792422 -0.0000000 -1.9240340 -0.0000000 -0.3564051 0.0000000 -2.2790070 54 O -1.8153805 -0.0000000 -0.3792422 -0.0000000 -1.9240340 -0.0000000 -0.3564051 0.0000000 -2.2790070 55 O -2.3458908 -0.1943970 0.0137757 -0.3104491 -1.8700876 0.0581396 -0.0427804 0.1050223 -1.5003892 56 O -2.0798597 -0.1254382 -0.5578924 -0.1132672 -1.7318267 0.5505933 -0.5765937 0.5114336 -2.0425880 57 O -2.0798597 -0.1254382 -0.5578924 -0.1132672 -1.7318267 0.5505933 -0.5765937 0.5114336 -2.0425880 58 O -1.7442419 0.0144780 0.1555922 0.0147762 -2.5373063 -0.0544173 0.1320477 -0.0540458 -1.8141529 59 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 0.8403319 -0.0000000 0.8827789 -1.9528901 60 O -1.7442419 -0.0144780 -0.1555922 -0.0147762 -2.5373063 -0.0544173 -0.1320477 -0.0540458 -1.8141529 61 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 0.0694104 -0.0000000 0.2445324 -2.3546269 62 O -1.7442419 0.0144780 -0.1555922 0.0147762 -2.5373063 0.0544173 -0.1320477 0.0540458 -1.8141529 63 O -1.9670091 0.1823412 0.2558770 0.1877546 -1.7921595 -0.1158342 0.3141420 -0.0293349 -1.9973052 64 O -2.3458908 -0.1943970 0.0137757 -0.3104491 -1.8700876 0.0581396 -0.0427804 0.1050223 -1.5003892 65 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 0.0694104 -0.0000000 0.2445324 -2.3546269 66 O -2.0798597 -0.1254382 0.5578924 -0.1132672 -1.7318267 -0.5505933 0.5765937 -0.5114336 -2.0425880 67 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 -0.4530350 -0.0000000 -0.3850013 -1.1825255 68 O -1.7442419 0.0144780 0.1555922 0.0147762 -2.5373063 -0.0544173 0.1320477 -0.0540458 -1.8141529 69 O -1.7442419 -0.0144780 -0.1555922 -0.0147762 -2.5373063 -0.0544173 -0.1320477 -0.0540458 -1.8141529 70 O -2.3458908 0.1943970 0.0137757 0.3104491 -1.8700876 -0.0581396 -0.0427804 -0.1050223 -1.5003892 71 O -2.0798597 -0.1254382 0.5578924 -0.1132672 -1.7318267 -0.5505933 0.5765937 -0.5114336 -2.0425880 72 O -1.7442419 0.0144780 -0.1555922 0.0147762 -2.5373063 0.0544173 -0.1320477 0.0540458 -1.8141529 73 O -2.0798597 0.1254382 0.5578924 0.1132672 -1.7318267 0.5505933 0.5765937 0.5114336 -2.0425880 74 O -1.9670091 -0.1823412 0.2558770 -0.1877546 -1.7921595 0.1158342 0.3141420 0.0293349 -1.9973052 75 O -2.3458908 -0.1943970 -0.0137757 -0.3104491 -1.8700876 -0.0581396 0.0427804 -0.1050223 -1.5003892 76 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 -0.4530350 -0.0000000 -0.3850013 -1.1825255 77 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 -0.8403319 -0.0000000 -0.8827789 -1.9528901 78 O -2.3458908 0.1943970 0.0137757 0.3104491 -1.8700876 -0.0581396 -0.0427804 -0.1050223 -1.5003892 79 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 0.4530350 -0.0000000 0.3850013 -1.1825255 80 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 -0.0694104 -0.0000000 -0.2445324 -2.3546269 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3750 Number of blocks in projector: 3750 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: 856 Use submatrix version of eigh solver. (1) Block: 500 / 856 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 856 / 856 (1) 334 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 744 Use submatrix version of eigh solver. (1) Block: 500 / 744 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 744 / 744 (1) 232 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 740 Use submatrix version of eigh solver. (1) Block: 500 / 740 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 740 / 740 (1) 230 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 470 Use standard eigh solver. Tree of FC basis block matrices: - (3750, 3656), data: False |-- (470, 456), data: True |-- (470, 456), data: True |-- (470, 456), data: True |-- (740, 728), data: False |-- (740, 10), data: (740, 22) @ (22, 10) |-- (240, 230), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (744, 730), data: False |-- (744, 12), data: (744, 26) @ (26, 12) |-- (244, 232), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (856, 830), data: False |-- (856, 22), data: (856, 48) @ (48, 22) |-- (356, 334), data: True |-- (500, 474), data: False |-- (500, 26), data: (500, 52) @ (52, 26) |-- (250, 224), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.751 Solver_block: 200 / 1200 - Time: 0.627 Solver_block: 300 / 1200 - Time: 0.617 Solver_block: 400 / 1200 - Time: 0.619 Solver_block: 500 / 1200 - Time: 0.620 Solver_block: 600 / 1200 - Time: 0.616 Solver_block: 700 / 1200 - Time: 0.620 Solver_block: 800 / 1200 - Time: 0.621 Solver_block: 900 / 1200 - Time: 0.619 Solver_block: 1000 / 1200 - Time: 0.622 Solver_block: 1100 / 1200 - Time: 0.623 Solver_block: 1200 / 1200 - Time: 0.622 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.760 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3750 Number of blocks in projector: 3750 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: 856 Use submatrix version of eigh solver. (1) Block: 500 / 856 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 856 / 856 (1) 334 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 744 Use submatrix version of eigh solver. (1) Block: 500 / 744 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 744 / 744 (1) 232 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 740 Use submatrix version of eigh solver. (1) Block: 500 / 740 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 740 / 740 (1) 230 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 470 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 470 Use standard eigh solver. Tree of FC basis block matrices: - (3750, 3656), data: False |-- (470, 456), data: True |-- (470, 456), data: True |-- (470, 456), data: True |-- (740, 728), data: False |-- (740, 10), data: (740, 22) @ (22, 10) |-- (240, 230), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (744, 730), data: False |-- (744, 12), data: (744, 26) @ (26, 12) |-- (244, 232), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (856, 830), data: False |-- (856, 22), data: (856, 48) @ (48, 22) |-- (356, 334), data: True |-- (500, 474), data: False |-- (500, 26), data: (500, 52) @ (52, 26) |-- (250, 224), data: True |-- (250, 224), 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 2026-01-08 15:44:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:44:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.775673510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.585031479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.433298049999998 Atomic positions (fractional): 1 Er 0.63541696951872 0.99866485756874 0.69370602810063 167.259 2 Er 0.36458303048128 0.00133514243126 0.30629397189937 167.259 3 Er 0.86458303048128 0.00133514243126 0.19370602810063 167.259 4 Er 0.86458303048128 0.99866485756874 0.80629397189937 167.259 5 Er 0.13219599796293 0.00000000000000 0.50000000000000 167.259 6 Er 0.13541696951872 0.00133514243126 0.19370602810063 167.259 7 Er 0.86780400203707 0.00000000000000 0.50000000000000 167.259 8 Er 0.63541696951872 0.00133514243126 0.30629397189937 167.259 9 Er 0.63219599796293 0.00000000000000 0.00000000000000 167.259 10 Er 0.36458303048128 0.99866485756874 0.69370602810063 167.259 11 Er 0.13541696951872 0.99866485756874 0.80629397189937 167.259 12 Er 0.36780400203707 0.00000000000000 0.00000000000000 167.259 13 B 0.33830406936846 0.50000000000000 0.50000000000000 10.811 14 B 0.83830406936846 0.50000000000000 0.00000000000000 10.811 15 B 0.50000000000000 0.53695464241060 0.84989145665437 10.811 16 B 0.70200004691406 0.53172297594861 0.15087379966202 10.811 17 B 0.00000000000000 0.53695464241060 0.65010854334563 10.811 18 B 0.20200004691406 0.46827702405139 0.65087379966202 10.811 19 B 0.79799995308594 0.53172297594861 0.34912620033798 10.811 20 B 0.50000000000000 0.45661572071406 0.37374890395646 10.811 21 B 0.16169593063154 0.50000000000000 0.00000000000000 10.811 22 B 0.70200004691406 0.46827702405139 0.84912620033798 10.811 23 B 0.00000000000000 0.45661572071406 0.12625109604353 10.811 24 B 0.00000000000000 0.46304535758940 0.34989145665437 10.811 25 B 0.29799995308594 0.46827702405139 0.84912620033798 10.811 26 B 0.50000000000000 0.46304535758940 0.15010854334563 10.811 27 B 0.79799995308594 0.46827702405139 0.65087379966202 10.811 28 B 0.50000000000000 0.54338427928594 0.62625109604354 10.811 29 B 0.00000000000000 0.54338427928594 0.87374890395646 10.811 30 B 0.29799995308594 0.53172297594861 0.15087379966202 10.811 31 B 0.66169593063154 0.50000000000000 0.50000000000000 10.811 32 B 0.20200004691406 0.53172297594861 0.34912620033798 10.811 33 O 0.73333786706455 0.30887120590983 0.56449659214457 15.999 34 O 0.40506217470137 0.66080760835511 0.14540991437628 15.999 35 O 0.40398707227736 0.66526436694425 0.57424458032725 15.999 36 O 0.76666213293545 0.30887120590983 0.93550340785543 15.999 37 O 0.25000000000000 0.65825402293744 0.25000000000000 15.999 38 O 0.90398707227736 0.66526436694425 0.92575541967275 15.999 39 O 0.26666213293545 0.69112879409017 0.43550340785543 15.999 40 O 0.00000000000000 0.24168321791588 0.42974916098792 15.999 41 O 0.59601292772264 0.33473563305575 0.42575541967275 15.999 42 O 0.70412766711946 0.77971786157481 0.84840916210307 15.999 43 O 0.75000000000000 0.34174597706256 0.75000000000000 15.999 44 O 0.26666213293545 0.30887120590983 0.56449659214457 15.999 45 O 0.76666213293545 0.69112879409017 0.06449659214457 15.999 46 O 0.29587233288054 0.22028213842519 0.15159083789693 15.999 47 O 0.50000000000000 0.24168321791588 0.07025083901208 15.999 48 O 0.00000000000000 0.69540437855961 0.76164546955703 15.999 49 O 0.50000000000000 0.76051516373147 0.36057700994732 15.999 50 O 0.23333786706455 0.69112879409017 0.06449659214457 15.999 51 O 0.09493782529863 0.66080760835511 0.35459008562372 15.999 52 O 0.59493782529863 0.33919239164489 0.85459008562372 15.999 53 O 0.25000000000000 0.34174597706256 0.75000000000000 15.999 54 O 0.75000000000000 0.65825402293744 0.25000000000000 15.999 55 O 0.40506217470137 0.33919239164489 0.85459008562372 15.999 56 O 0.09601292772264 0.66526436694425 0.92575541967275 15.999 57 O 0.90398707227736 0.33473563305575 0.07424458032725 15.999 58 O 0.79587233288054 0.77971786157481 0.65159083789693 15.999 59 O 0.00000000000000 0.75831678208412 0.57025083901208 15.999 60 O 0.79587233288054 0.22028213842519 0.34840916210307 15.999 61 O 0.50000000000000 0.69540437855961 0.73835453044297 15.999 62 O 0.29587233288054 0.77971786157481 0.84840916210307 15.999 63 O 0.23333786706455 0.30887120590983 0.93550340785543 15.999 64 O 0.59493782529863 0.66080760835511 0.14540991437628 15.999 65 O 0.50000000000000 0.30459562144039 0.26164546955703 15.999 66 O 0.59601292772264 0.66526436694425 0.57424458032725 15.999 67 O 0.00000000000000 0.23948483626853 0.86057700994732 15.999 68 O 0.20412766711946 0.22028213842519 0.34840916210307 15.999 69 O 0.20412766711946 0.77971786157481 0.65159083789693 15.999 70 O 0.90506217470137 0.66080760835511 0.35459008562372 15.999 71 O 0.40398707227736 0.33473563305575 0.42575541967275 15.999 72 O 0.70412766711946 0.22028213842519 0.15159083789693 15.999 73 O 0.09601292772264 0.33473563305575 0.07424458032725 15.999 74 O 0.73333786706455 0.69112879409017 0.43550340785543 15.999 75 O 0.90506217470137 0.33919239164489 0.64540991437628 15.999 76 O 0.00000000000000 0.76051516373147 0.13942299005268 15.999 77 O 0.50000000000000 0.75831678208412 0.92974916098792 15.999 78 O 0.09493782529863 0.33919239164489 0.64540991437628 15.999 79 O 0.50000000000000 0.23948483626853 0.63942299005268 15.999 80 O 0.00000000000000 0.30459562144039 0.23835453044297 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.775673510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.585031479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.433298049999998 Atomic positions (fractional): 1 Er 0.63541696951872 0.99866485756874 0.69370602810063 167.259 > 1 2 Er 0.36458303048128 0.00133514243126 0.30629397189937 167.259 > 2 3 Er 0.86458303048128 0.00133514243126 0.19370602810063 167.259 > 3 4 Er 0.86458303048128 0.99866485756874 0.80629397189937 167.259 > 4 5 Er 0.13219599796293 0.00000000000000 0.50000000000000 167.259 > 5 6 Er 0.13541696951872 0.00133514243126 0.19370602810063 167.259 > 6 7 Er 0.86780400203707 0.00000000000000 0.50000000000000 167.259 > 7 8 Er 0.63541696951872 0.00133514243126 0.30629397189937 167.259 > 8 9 Er 0.63219599796293 0.00000000000000 0.00000000000000 167.259 > 9 10 Er 0.36458303048128 0.99866485756874 0.69370602810063 167.259 > 10 11 Er 0.13541696951872 0.99866485756874 0.80629397189937 167.259 > 11 12 Er 0.36780400203707 0.00000000000000 0.00000000000000 167.259 > 12 13 B 0.33830406936846 0.50000000000000 0.50000000000000 10.811 > 13 14 B 0.83830406936846 0.50000000000000 0.00000000000000 10.811 > 14 15 B 0.50000000000000 0.53695464241060 0.84989145665437 10.811 > 15 16 B 0.70200004691406 0.53172297594861 0.15087379966202 10.811 > 16 17 B 0.00000000000000 0.53695464241060 0.65010854334563 10.811 > 17 18 B 0.20200004691406 0.46827702405139 0.65087379966202 10.811 > 18 19 B 0.79799995308594 0.53172297594861 0.34912620033798 10.811 > 19 20 B 0.50000000000000 0.45661572071406 0.37374890395646 10.811 > 20 21 B 0.16169593063154 0.50000000000000 0.00000000000000 10.811 > 21 22 B 0.70200004691406 0.46827702405139 0.84912620033798 10.811 > 22 23 B 0.00000000000000 0.45661572071406 0.12625109604353 10.811 > 23 24 B 0.00000000000000 0.46304535758940 0.34989145665437 10.811 > 24 25 B 0.29799995308594 0.46827702405139 0.84912620033798 10.811 > 25 26 B 0.50000000000000 0.46304535758940 0.15010854334563 10.811 > 26 27 B 0.79799995308594 0.46827702405139 0.65087379966202 10.811 > 27 28 B 0.50000000000000 0.54338427928594 0.62625109604354 10.811 > 28 29 B 0.00000000000000 0.54338427928594 0.87374890395646 10.811 > 29 30 B 0.29799995308594 0.53172297594861 0.15087379966202 10.811 > 30 31 B 0.66169593063154 0.50000000000000 0.50000000000000 10.811 > 31 32 B 0.20200004691406 0.53172297594861 0.34912620033798 10.811 > 32 33 O 0.73333786706455 0.30887120590983 0.56449659214457 15.999 > 33 34 O 0.40506217470137 0.66080760835511 0.14540991437628 15.999 > 34 35 O 0.40398707227736 0.66526436694425 0.57424458032725 15.999 > 35 36 O 0.76666213293545 0.30887120590983 0.93550340785543 15.999 > 36 37 O 0.25000000000000 0.65825402293744 0.25000000000000 15.999 > 37 38 O 0.90398707227736 0.66526436694425 0.92575541967275 15.999 > 38 39 O 0.26666213293545 0.69112879409017 0.43550340785543 15.999 > 39 40 O 0.00000000000000 0.24168321791588 0.42974916098792 15.999 > 40 41 O 0.59601292772264 0.33473563305575 0.42575541967275 15.999 > 41 42 O 0.70412766711946 0.77971786157481 0.84840916210307 15.999 > 42 43 O 0.75000000000000 0.34174597706256 0.75000000000000 15.999 > 43 44 O 0.26666213293545 0.30887120590983 0.56449659214457 15.999 > 44 45 O 0.76666213293545 0.69112879409017 0.06449659214457 15.999 > 45 46 O 0.29587233288054 0.22028213842519 0.15159083789693 15.999 > 46 47 O 0.50000000000000 0.24168321791588 0.07025083901208 15.999 > 47 48 O 0.00000000000000 0.69540437855961 0.76164546955703 15.999 > 48 49 O 0.50000000000000 0.76051516373147 0.36057700994732 15.999 > 49 50 O 0.23333786706455 0.69112879409017 0.06449659214457 15.999 > 50 51 O 0.09493782529863 0.66080760835511 0.35459008562372 15.999 > 51 52 O 0.59493782529863 0.33919239164489 0.85459008562372 15.999 > 52 53 O 0.25000000000000 0.34174597706256 0.75000000000000 15.999 > 53 54 O 0.75000000000000 0.65825402293744 0.25000000000000 15.999 > 54 55 O 0.40506217470137 0.33919239164489 0.85459008562372 15.999 > 55 56 O 0.09601292772264 0.66526436694425 0.92575541967275 15.999 > 56 57 O 0.90398707227736 0.33473563305575 0.07424458032725 15.999 > 57 58 O 0.79587233288054 0.77971786157481 0.65159083789693 15.999 > 58 59 O 0.00000000000000 0.75831678208412 0.57025083901208 15.999 > 59 60 O 0.79587233288054 0.22028213842519 0.34840916210307 15.999 > 60 61 O 0.50000000000000 0.69540437855961 0.73835453044297 15.999 > 61 62 O 0.29587233288054 0.77971786157481 0.84840916210307 15.999 > 62 63 O 0.23333786706455 0.30887120590983 0.93550340785543 15.999 > 63 64 O 0.59493782529863 0.66080760835511 0.14540991437628 15.999 > 64 65 O 0.50000000000000 0.30459562144039 0.26164546955703 15.999 > 65 66 O 0.59601292772264 0.66526436694425 0.57424458032725 15.999 > 66 67 O 0.00000000000000 0.23948483626853 0.86057700994732 15.999 > 67 68 O 0.20412766711946 0.22028213842519 0.34840916210307 15.999 > 68 69 O 0.20412766711946 0.77971786157481 0.65159083789693 15.999 > 69 70 O 0.90506217470137 0.66080760835511 0.35459008562372 15.999 > 70 71 O 0.40398707227736 0.33473563305575 0.42575541967275 15.999 > 71 72 O 0.70412766711946 0.22028213842519 0.15159083789693 15.999 > 72 73 O 0.09601292772264 0.33473563305575 0.07424458032725 15.999 > 73 74 O 0.73333786706455 0.69112879409017 0.43550340785543 15.999 > 74 75 O 0.90506217470137 0.33919239164489 0.64540991437628 15.999 > 75 76 O 0.00000000000000 0.76051516373147 0.13942299005268 15.999 > 76 77 O 0.50000000000000 0.75831678208412 0.92974916098792 15.999 > 77 78 O 0.09493782529863 0.33919239164489 0.64540991437628 15.999 > 78 79 O 0.50000000000000 0.23948483626853 0.63942299005268 15.999 > 79 80 O 0.00000000000000 0.30459562144039 0.23835453044297 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6840531 0.0000000 0.0000000 0.0000000 3.6772567 0.0000000 0.0000000 0.0000000 3.4881333 -------------------------- Born effective charges -------------------------- 1 Er 3.9946972 0.0238812 0.2342419 0.0069628 3.9020123 0.1381404 0.1364265 0.1258467 3.1887826 2 Er 3.9946972 0.0238812 0.2342419 0.0069628 3.9020123 0.1381404 0.1364265 0.1258467 3.1887826 3 Er 3.9946972 0.0238812 -0.2342419 0.0069628 3.9020123 -0.1381404 -0.1364265 -0.1258467 3.1887826 4 Er 3.9946972 -0.0238812 0.2342419 -0.0069628 3.9020123 -0.1381404 0.1364265 -0.1258467 3.1887826 5 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 -0.0640580 -0.0000000 -0.1433292 3.7779805 6 Er 3.9946972 -0.0238812 0.2342419 -0.0069628 3.9020123 -0.1381404 0.1364265 -0.1258467 3.1887826 7 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 -0.0640580 -0.0000000 -0.1433292 3.7779805 8 Er 3.9946972 -0.0238812 -0.2342419 -0.0069628 3.9020123 0.1381404 -0.1364265 0.1258467 3.1887826 9 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 0.0640580 -0.0000000 0.1433292 3.7779805 10 Er 3.9946972 -0.0238812 -0.2342419 -0.0069628 3.9020123 0.1381404 -0.1364265 0.1258467 3.1887826 11 Er 3.9946972 0.0238812 -0.2342419 0.0069628 3.9020123 -0.1381404 -0.1364265 -0.1258467 3.1887826 12 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 0.0640580 -0.0000000 0.1433292 3.7779805 13 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 -0.0301378 -0.0000000 0.1159803 3.0728075 14 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 0.0301378 -0.0000000 -0.1159803 3.0728075 15 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 0.1740553 -0.0000000 0.1390806 2.6667843 16 B 2.3340438 0.0661128 0.0571607 0.1243276 2.7049005 0.0800012 0.0499689 -0.0518229 2.1866256 17 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 -0.1740553 -0.0000000 -0.1390806 2.6667843 18 B 2.3340438 -0.0661128 0.0571607 -0.1243276 2.7049005 -0.0800012 0.0499689 0.0518229 2.1866256 19 B 2.3340438 -0.0661128 0.0571607 -0.1243276 2.7049005 -0.0800012 0.0499689 0.0518229 2.1866256 20 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 0.0295678 -0.0000000 -0.1741740 2.2095315 21 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 0.0301378 -0.0000000 -0.1159803 3.0728075 22 B 2.3340438 -0.0661128 -0.0571607 -0.1243276 2.7049005 0.0800012 -0.0499689 -0.0518229 2.1866256 23 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 -0.0295678 -0.0000000 0.1741740 2.2095315 24 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 -0.1740553 -0.0000000 -0.1390806 2.6667843 25 B 2.3340438 0.0661128 0.0571607 0.1243276 2.7049005 0.0800012 0.0499689 -0.0518229 2.1866256 26 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 0.1740553 -0.0000000 0.1390806 2.6667843 27 B 2.3340438 0.0661128 -0.0571607 0.1243276 2.7049005 -0.0800012 -0.0499689 0.0518229 2.1866256 28 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 0.0295678 -0.0000000 -0.1741740 2.2095315 29 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 -0.0295678 -0.0000000 0.1741740 2.2095315 30 B 2.3340438 -0.0661128 -0.0571607 -0.1243276 2.7049005 0.0800012 -0.0499689 -0.0518229 2.1866256 31 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 -0.0301378 -0.0000000 0.1159803 3.0728075 32 B 2.3340438 0.0661128 -0.0571607 0.1243276 2.7049005 -0.0800012 -0.0499689 0.0518229 2.1866256 33 O -1.9670091 0.1823412 -0.2558770 0.1877546 -1.7921595 0.1158342 -0.3141420 0.0293349 -1.9973052 34 O -2.3458908 0.1943970 -0.0137757 0.3104491 -1.8700876 0.0581396 0.0427804 0.1050223 -1.5003892 35 O -2.0798597 0.1254382 -0.5578924 0.1132672 -1.7318267 -0.5505933 -0.5765937 -0.5114336 -2.0425880 36 O -1.9670091 -0.1823412 -0.2558770 -0.1877546 -1.7921595 -0.1158342 -0.3141420 -0.0293349 -1.9973052 37 O -1.8153805 -0.0000000 0.3792422 -0.0000000 -1.9240340 -0.0000000 0.3564051 0.0000000 -2.2790070 38 O -2.0798597 0.1254382 0.5578924 0.1132672 -1.7318267 0.5505933 0.5765937 0.5114336 -2.0425880 39 O -1.9670091 0.1823412 -0.2558770 0.1877546 -1.7921595 0.1158342 -0.3141420 0.0293349 -1.9973052 40 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 0.8403319 -0.0000000 0.8827789 -1.9528901 41 O -2.0798597 0.1254382 -0.5578924 0.1132672 -1.7318267 -0.5505933 -0.5765937 -0.5114336 -2.0425880 42 O -1.7442419 -0.0144780 0.1555922 -0.0147762 -2.5373063 0.0544173 0.1320477 0.0540458 -1.8141529 43 O -1.8153805 -0.0000000 0.3792422 -0.0000000 -1.9240340 -0.0000000 0.3564051 0.0000000 -2.2790070 44 O -1.9670091 -0.1823412 0.2558770 -0.1877546 -1.7921595 0.1158342 0.3141420 0.0293349 -1.9973052 45 O -1.9670091 0.1823412 0.2558770 0.1877546 -1.7921595 -0.1158342 0.3141420 -0.0293349 -1.9973052 46 O -1.7442419 -0.0144780 0.1555922 -0.0147762 -2.5373063 0.0544173 0.1320477 0.0540458 -1.8141529 47 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 -0.8403319 -0.0000000 -0.8827789 -1.9528901 48 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 -0.0694104 -0.0000000 -0.2445324 -2.3546269 49 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 0.4530350 -0.0000000 0.3850013 -1.1825255 50 O -1.9670091 -0.1823412 -0.2558770 -0.1877546 -1.7921595 -0.1158342 -0.3141420 -0.0293349 -1.9973052 51 O -2.3458908 -0.1943970 -0.0137757 -0.3104491 -1.8700876 -0.0581396 0.0427804 -0.1050223 -1.5003892 52 O -2.3458908 0.1943970 -0.0137757 0.3104491 -1.8700876 0.0581396 0.0427804 0.1050223 -1.5003892 53 O -1.8153805 -0.0000000 -0.3792422 -0.0000000 -1.9240340 -0.0000000 -0.3564051 0.0000000 -2.2790070 54 O -1.8153805 -0.0000000 -0.3792422 -0.0000000 -1.9240340 -0.0000000 -0.3564051 0.0000000 -2.2790070 55 O -2.3458908 -0.1943970 0.0137757 -0.3104491 -1.8700876 0.0581396 -0.0427804 0.1050223 -1.5003892 56 O -2.0798597 -0.1254382 -0.5578924 -0.1132672 -1.7318267 0.5505933 -0.5765937 0.5114336 -2.0425880 57 O -2.0798597 -0.1254382 -0.5578924 -0.1132672 -1.7318267 0.5505933 -0.5765937 0.5114336 -2.0425880 58 O -1.7442419 0.0144780 0.1555922 0.0147762 -2.5373063 -0.0544173 0.1320477 -0.0540458 -1.8141529 59 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 0.8403319 -0.0000000 0.8827789 -1.9528901 60 O -1.7442419 -0.0144780 -0.1555922 -0.0147762 -2.5373063 -0.0544173 -0.1320477 -0.0540458 -1.8141529 61 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 0.0694104 -0.0000000 0.2445324 -2.3546269 62 O -1.7442419 0.0144780 -0.1555922 0.0147762 -2.5373063 0.0544173 -0.1320477 0.0540458 -1.8141529 63 O -1.9670091 0.1823412 0.2558770 0.1877546 -1.7921595 -0.1158342 0.3141420 -0.0293349 -1.9973052 64 O -2.3458908 -0.1943970 0.0137757 -0.3104491 -1.8700876 0.0581396 -0.0427804 0.1050223 -1.5003892 65 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 0.0694104 -0.0000000 0.2445324 -2.3546269 66 O -2.0798597 -0.1254382 0.5578924 -0.1132672 -1.7318267 -0.5505933 0.5765937 -0.5114336 -2.0425880 67 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 -0.4530350 -0.0000000 -0.3850013 -1.1825255 68 O -1.7442419 0.0144780 0.1555922 0.0147762 -2.5373063 -0.0544173 0.1320477 -0.0540458 -1.8141529 69 O -1.7442419 -0.0144780 -0.1555922 -0.0147762 -2.5373063 -0.0544173 -0.1320477 -0.0540458 -1.8141529 70 O -2.3458908 0.1943970 0.0137757 0.3104491 -1.8700876 -0.0581396 -0.0427804 -0.1050223 -1.5003892 71 O -2.0798597 -0.1254382 0.5578924 -0.1132672 -1.7318267 -0.5505933 0.5765937 -0.5114336 -2.0425880 72 O -1.7442419 0.0144780 -0.1555922 0.0147762 -2.5373063 0.0544173 -0.1320477 0.0540458 -1.8141529 73 O -2.0798597 0.1254382 0.5578924 0.1132672 -1.7318267 0.5505933 0.5765937 0.5114336 -2.0425880 74 O -1.9670091 -0.1823412 0.2558770 -0.1877546 -1.7921595 0.1158342 0.3141420 0.0293349 -1.9973052 75 O -2.3458908 -0.1943970 -0.0137757 -0.3104491 -1.8700876 -0.0581396 0.0427804 -0.1050223 -1.5003892 76 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 -0.4530350 -0.0000000 -0.3850013 -1.1825255 77 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 -0.8403319 -0.0000000 -0.8827789 -1.9528901 78 O -2.3458908 0.1943970 0.0137757 0.3104491 -1.8700876 -0.0581396 -0.0427804 -0.1050223 -1.5003892 79 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 0.4530350 -0.0000000 0.3850013 -1.1825255 80 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 -0.0694104 -0.0000000 -0.2445324 -2.3546269 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, 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[ 15, 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[ 16, 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[ 20, 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[ 33, 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[ 34, 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[ 35, 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[ 37, 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[ 40, 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[ 42, 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[ 48, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:44:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:44:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.775673510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.585031479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.433298049999998 Atomic positions (fractional): 1 Er 0.63541696951872 0.99866485756874 0.69370602810063 167.259 2 Er 0.36458303048128 0.00133514243126 0.30629397189937 167.259 3 Er 0.86458303048128 0.00133514243126 0.19370602810063 167.259 4 Er 0.86458303048128 0.99866485756874 0.80629397189937 167.259 5 Er 0.13219599796293 0.00000000000000 0.50000000000000 167.259 6 Er 0.13541696951872 0.00133514243126 0.19370602810063 167.259 7 Er 0.86780400203707 0.00000000000000 0.50000000000000 167.259 8 Er 0.63541696951872 0.00133514243126 0.30629397189937 167.259 9 Er 0.63219599796293 0.00000000000000 0.00000000000000 167.259 10 Er 0.36458303048128 0.99866485756874 0.69370602810063 167.259 11 Er 0.13541696951872 0.99866485756874 0.80629397189937 167.259 12 Er 0.36780400203707 0.00000000000000 0.00000000000000 167.259 13 B 0.33830406936846 0.50000000000000 0.50000000000000 10.811 14 B 0.83830406936846 0.50000000000000 0.00000000000000 10.811 15 B 0.50000000000000 0.53695464241060 0.84989145665437 10.811 16 B 0.70200004691406 0.53172297594861 0.15087379966202 10.811 17 B 0.00000000000000 0.53695464241060 0.65010854334563 10.811 18 B 0.20200004691406 0.46827702405139 0.65087379966202 10.811 19 B 0.79799995308594 0.53172297594861 0.34912620033798 10.811 20 B 0.50000000000000 0.45661572071406 0.37374890395646 10.811 21 B 0.16169593063154 0.50000000000000 0.00000000000000 10.811 22 B 0.70200004691406 0.46827702405139 0.84912620033798 10.811 23 B 0.00000000000000 0.45661572071406 0.12625109604353 10.811 24 B 0.00000000000000 0.46304535758940 0.34989145665437 10.811 25 B 0.29799995308594 0.46827702405139 0.84912620033798 10.811 26 B 0.50000000000000 0.46304535758940 0.15010854334563 10.811 27 B 0.79799995308594 0.46827702405139 0.65087379966202 10.811 28 B 0.50000000000000 0.54338427928594 0.62625109604354 10.811 29 B 0.00000000000000 0.54338427928594 0.87374890395646 10.811 30 B 0.29799995308594 0.53172297594861 0.15087379966202 10.811 31 B 0.66169593063154 0.50000000000000 0.50000000000000 10.811 32 B 0.20200004691406 0.53172297594861 0.34912620033798 10.811 33 O 0.73333786706455 0.30887120590983 0.56449659214457 15.999 34 O 0.40506217470137 0.66080760835511 0.14540991437628 15.999 35 O 0.40398707227736 0.66526436694425 0.57424458032725 15.999 36 O 0.76666213293545 0.30887120590983 0.93550340785543 15.999 37 O 0.25000000000000 0.65825402293744 0.25000000000000 15.999 38 O 0.90398707227736 0.66526436694425 0.92575541967275 15.999 39 O 0.26666213293545 0.69112879409017 0.43550340785543 15.999 40 O 0.00000000000000 0.24168321791588 0.42974916098792 15.999 41 O 0.59601292772264 0.33473563305575 0.42575541967275 15.999 42 O 0.70412766711946 0.77971786157481 0.84840916210307 15.999 43 O 0.75000000000000 0.34174597706256 0.75000000000000 15.999 44 O 0.26666213293545 0.30887120590983 0.56449659214457 15.999 45 O 0.76666213293545 0.69112879409017 0.06449659214457 15.999 46 O 0.29587233288054 0.22028213842519 0.15159083789693 15.999 47 O 0.50000000000000 0.24168321791588 0.07025083901208 15.999 48 O 0.00000000000000 0.69540437855961 0.76164546955703 15.999 49 O 0.50000000000000 0.76051516373147 0.36057700994732 15.999 50 O 0.23333786706455 0.69112879409017 0.06449659214457 15.999 51 O 0.09493782529863 0.66080760835511 0.35459008562372 15.999 52 O 0.59493782529863 0.33919239164489 0.85459008562372 15.999 53 O 0.25000000000000 0.34174597706256 0.75000000000000 15.999 54 O 0.75000000000000 0.65825402293744 0.25000000000000 15.999 55 O 0.40506217470137 0.33919239164489 0.85459008562372 15.999 56 O 0.09601292772264 0.66526436694425 0.92575541967275 15.999 57 O 0.90398707227736 0.33473563305575 0.07424458032725 15.999 58 O 0.79587233288054 0.77971786157481 0.65159083789693 15.999 59 O 0.00000000000000 0.75831678208412 0.57025083901208 15.999 60 O 0.79587233288054 0.22028213842519 0.34840916210307 15.999 61 O 0.50000000000000 0.69540437855961 0.73835453044297 15.999 62 O 0.29587233288054 0.77971786157481 0.84840916210307 15.999 63 O 0.23333786706455 0.30887120590983 0.93550340785543 15.999 64 O 0.59493782529863 0.66080760835511 0.14540991437628 15.999 65 O 0.50000000000000 0.30459562144039 0.26164546955703 15.999 66 O 0.59601292772264 0.66526436694425 0.57424458032725 15.999 67 O 0.00000000000000 0.23948483626853 0.86057700994732 15.999 68 O 0.20412766711946 0.22028213842519 0.34840916210307 15.999 69 O 0.20412766711946 0.77971786157481 0.65159083789693 15.999 70 O 0.90506217470137 0.66080760835511 0.35459008562372 15.999 71 O 0.40398707227736 0.33473563305575 0.42575541967275 15.999 72 O 0.70412766711946 0.22028213842519 0.15159083789693 15.999 73 O 0.09601292772264 0.33473563305575 0.07424458032725 15.999 74 O 0.73333786706455 0.69112879409017 0.43550340785543 15.999 75 O 0.90506217470137 0.33919239164489 0.64540991437628 15.999 76 O 0.00000000000000 0.76051516373147 0.13942299005268 15.999 77 O 0.50000000000000 0.75831678208412 0.92974916098792 15.999 78 O 0.09493782529863 0.33919239164489 0.64540991437628 15.999 79 O 0.50000000000000 0.23948483626853 0.63942299005268 15.999 80 O 0.00000000000000 0.30459562144039 0.23835453044297 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.775673510000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.585031479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.433298049999998 Atomic positions (fractional): 1 Er 0.63541696951872 0.99866485756874 0.69370602810063 167.259 > 1 2 Er 0.36458303048128 0.00133514243126 0.30629397189937 167.259 > 2 3 Er 0.86458303048128 0.00133514243126 0.19370602810063 167.259 > 3 4 Er 0.86458303048128 0.99866485756874 0.80629397189937 167.259 > 4 5 Er 0.13219599796293 0.00000000000000 0.50000000000000 167.259 > 5 6 Er 0.13541696951872 0.00133514243126 0.19370602810063 167.259 > 6 7 Er 0.86780400203707 0.00000000000000 0.50000000000000 167.259 > 7 8 Er 0.63541696951872 0.00133514243126 0.30629397189937 167.259 > 8 9 Er 0.63219599796293 0.00000000000000 0.00000000000000 167.259 > 9 10 Er 0.36458303048128 0.99866485756874 0.69370602810063 167.259 > 10 11 Er 0.13541696951872 0.99866485756874 0.80629397189937 167.259 > 11 12 Er 0.36780400203707 0.00000000000000 0.00000000000000 167.259 > 12 13 B 0.33830406936846 0.50000000000000 0.50000000000000 10.811 > 13 14 B 0.83830406936846 0.50000000000000 0.00000000000000 10.811 > 14 15 B 0.50000000000000 0.53695464241060 0.84989145665437 10.811 > 15 16 B 0.70200004691406 0.53172297594861 0.15087379966202 10.811 > 16 17 B 0.00000000000000 0.53695464241060 0.65010854334563 10.811 > 17 18 B 0.20200004691406 0.46827702405139 0.65087379966202 10.811 > 18 19 B 0.79799995308594 0.53172297594861 0.34912620033798 10.811 > 19 20 B 0.50000000000000 0.45661572071406 0.37374890395646 10.811 > 20 21 B 0.16169593063154 0.50000000000000 0.00000000000000 10.811 > 21 22 B 0.70200004691406 0.46827702405139 0.84912620033798 10.811 > 22 23 B 0.00000000000000 0.45661572071406 0.12625109604353 10.811 > 23 24 B 0.00000000000000 0.46304535758940 0.34989145665437 10.811 > 24 25 B 0.29799995308594 0.46827702405139 0.84912620033798 10.811 > 25 26 B 0.50000000000000 0.46304535758940 0.15010854334563 10.811 > 26 27 B 0.79799995308594 0.46827702405139 0.65087379966202 10.811 > 27 28 B 0.50000000000000 0.54338427928594 0.62625109604354 10.811 > 28 29 B 0.00000000000000 0.54338427928594 0.87374890395646 10.811 > 29 30 B 0.29799995308594 0.53172297594861 0.15087379966202 10.811 > 30 31 B 0.66169593063154 0.50000000000000 0.50000000000000 10.811 > 31 32 B 0.20200004691406 0.53172297594861 0.34912620033798 10.811 > 32 33 O 0.73333786706455 0.30887120590983 0.56449659214457 15.999 > 33 34 O 0.40506217470137 0.66080760835511 0.14540991437628 15.999 > 34 35 O 0.40398707227736 0.66526436694425 0.57424458032725 15.999 > 35 36 O 0.76666213293545 0.30887120590983 0.93550340785543 15.999 > 36 37 O 0.25000000000000 0.65825402293744 0.25000000000000 15.999 > 37 38 O 0.90398707227736 0.66526436694425 0.92575541967275 15.999 > 38 39 O 0.26666213293545 0.69112879409017 0.43550340785543 15.999 > 39 40 O 0.00000000000000 0.24168321791588 0.42974916098792 15.999 > 40 41 O 0.59601292772264 0.33473563305575 0.42575541967275 15.999 > 41 42 O 0.70412766711946 0.77971786157481 0.84840916210307 15.999 > 42 43 O 0.75000000000000 0.34174597706256 0.75000000000000 15.999 > 43 44 O 0.26666213293545 0.30887120590983 0.56449659214457 15.999 > 44 45 O 0.76666213293545 0.69112879409017 0.06449659214457 15.999 > 45 46 O 0.29587233288054 0.22028213842519 0.15159083789693 15.999 > 46 47 O 0.50000000000000 0.24168321791588 0.07025083901208 15.999 > 47 48 O 0.00000000000000 0.69540437855961 0.76164546955703 15.999 > 48 49 O 0.50000000000000 0.76051516373147 0.36057700994732 15.999 > 49 50 O 0.23333786706455 0.69112879409017 0.06449659214457 15.999 > 50 51 O 0.09493782529863 0.66080760835511 0.35459008562372 15.999 > 51 52 O 0.59493782529863 0.33919239164489 0.85459008562372 15.999 > 52 53 O 0.25000000000000 0.34174597706256 0.75000000000000 15.999 > 53 54 O 0.75000000000000 0.65825402293744 0.25000000000000 15.999 > 54 55 O 0.40506217470137 0.33919239164489 0.85459008562372 15.999 > 55 56 O 0.09601292772264 0.66526436694425 0.92575541967275 15.999 > 56 57 O 0.90398707227736 0.33473563305575 0.07424458032725 15.999 > 57 58 O 0.79587233288054 0.77971786157481 0.65159083789693 15.999 > 58 59 O 0.00000000000000 0.75831678208412 0.57025083901208 15.999 > 59 60 O 0.79587233288054 0.22028213842519 0.34840916210307 15.999 > 60 61 O 0.50000000000000 0.69540437855961 0.73835453044297 15.999 > 61 62 O 0.29587233288054 0.77971786157481 0.84840916210307 15.999 > 62 63 O 0.23333786706455 0.30887120590983 0.93550340785543 15.999 > 63 64 O 0.59493782529863 0.66080760835511 0.14540991437628 15.999 > 64 65 O 0.50000000000000 0.30459562144039 0.26164546955703 15.999 > 65 66 O 0.59601292772264 0.66526436694425 0.57424458032725 15.999 > 66 67 O 0.00000000000000 0.23948483626853 0.86057700994732 15.999 > 67 68 O 0.20412766711946 0.22028213842519 0.34840916210307 15.999 > 68 69 O 0.20412766711946 0.77971786157481 0.65159083789693 15.999 > 69 70 O 0.90506217470137 0.66080760835511 0.35459008562372 15.999 > 70 71 O 0.40398707227736 0.33473563305575 0.42575541967275 15.999 > 71 72 O 0.70412766711946 0.22028213842519 0.15159083789693 15.999 > 72 73 O 0.09601292772264 0.33473563305575 0.07424458032725 15.999 > 73 74 O 0.73333786706455 0.69112879409017 0.43550340785543 15.999 > 74 75 O 0.90506217470137 0.33919239164489 0.64540991437628 15.999 > 75 76 O 0.00000000000000 0.76051516373147 0.13942299005268 15.999 > 76 77 O 0.50000000000000 0.75831678208412 0.92974916098792 15.999 > 77 78 O 0.09493782529863 0.33919239164489 0.64540991437628 15.999 > 78 79 O 0.50000000000000 0.23948483626853 0.63942299005268 15.999 > 79 80 O 0.00000000000000 0.30459562144039 0.23835453044297 15.999 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6840531 0.0000000 0.0000000 0.0000000 3.6772567 0.0000000 0.0000000 0.0000000 3.4881333 -------------------------- Born effective charges -------------------------- 1 Er 3.9946972 0.0238812 0.2342419 0.0069628 3.9020123 0.1381404 0.1364265 0.1258467 3.1887826 2 Er 3.9946972 0.0238812 0.2342419 0.0069628 3.9020123 0.1381404 0.1364265 0.1258467 3.1887826 3 Er 3.9946972 0.0238812 -0.2342419 0.0069628 3.9020123 -0.1381404 -0.1364265 -0.1258467 3.1887826 4 Er 3.9946972 -0.0238812 0.2342419 -0.0069628 3.9020123 -0.1381404 0.1364265 -0.1258467 3.1887826 5 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 -0.0640580 -0.0000000 -0.1433292 3.7779805 6 Er 3.9946972 -0.0238812 0.2342419 -0.0069628 3.9020123 -0.1381404 0.1364265 -0.1258467 3.1887826 7 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 -0.0640580 -0.0000000 -0.1433292 3.7779805 8 Er 3.9946972 -0.0238812 -0.2342419 -0.0069628 3.9020123 0.1381404 -0.1364265 0.1258467 3.1887826 9 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 0.0640580 -0.0000000 0.1433292 3.7779805 10 Er 3.9946972 -0.0238812 -0.2342419 -0.0069628 3.9020123 0.1381404 -0.1364265 0.1258467 3.1887826 11 Er 3.9946972 0.0238812 -0.2342419 0.0069628 3.9020123 -0.1381404 -0.1364265 -0.1258467 3.1887826 12 Er 3.7858741 -0.0000000 0.0000000 -0.0000000 3.5930880 0.0640580 -0.0000000 0.1433292 3.7779805 13 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 -0.0301378 -0.0000000 0.1159803 3.0728075 14 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 0.0301378 -0.0000000 -0.1159803 3.0728075 15 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 0.1740553 -0.0000000 0.1390806 2.6667843 16 B 2.3340438 0.0661128 0.0571607 0.1243276 2.7049005 0.0800012 0.0499689 -0.0518229 2.1866256 17 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 -0.1740553 -0.0000000 -0.1390806 2.6667843 18 B 2.3340438 -0.0661128 0.0571607 -0.1243276 2.7049005 -0.0800012 0.0499689 0.0518229 2.1866256 19 B 2.3340438 -0.0661128 0.0571607 -0.1243276 2.7049005 -0.0800012 0.0499689 0.0518229 2.1866256 20 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 0.0295678 -0.0000000 -0.1741740 2.2095315 21 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 0.0301378 -0.0000000 -0.1159803 3.0728075 22 B 2.3340438 -0.0661128 -0.0571607 -0.1243276 2.7049005 0.0800012 -0.0499689 -0.0518229 2.1866256 23 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 -0.0295678 -0.0000000 0.1741740 2.2095315 24 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 -0.1740553 -0.0000000 -0.1390806 2.6667843 25 B 2.3340438 0.0661128 0.0571607 0.1243276 2.7049005 0.0800012 0.0499689 -0.0518229 2.1866256 26 B 2.6217285 -0.0000000 0.0000000 -0.0000000 2.7338026 0.1740553 -0.0000000 0.1390806 2.6667843 27 B 2.3340438 0.0661128 -0.0571607 0.1243276 2.7049005 -0.0800012 -0.0499689 0.0518229 2.1866256 28 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 0.0295678 -0.0000000 -0.1741740 2.2095315 29 B 2.6547669 -0.0000000 0.0000000 -0.0000000 2.7065939 -0.0295678 -0.0000000 0.1741740 2.2095315 30 B 2.3340438 -0.0661128 -0.0571607 -0.1243276 2.7049005 0.0800012 -0.0499689 -0.0518229 2.1866256 31 B 2.6938220 -0.0000000 0.0000000 -0.0000000 2.1624577 -0.0301378 -0.0000000 0.1159803 3.0728075 32 B 2.3340438 0.0661128 -0.0571607 0.1243276 2.7049005 -0.0800012 -0.0499689 0.0518229 2.1866256 33 O -1.9670091 0.1823412 -0.2558770 0.1877546 -1.7921595 0.1158342 -0.3141420 0.0293349 -1.9973052 34 O -2.3458908 0.1943970 -0.0137757 0.3104491 -1.8700876 0.0581396 0.0427804 0.1050223 -1.5003892 35 O -2.0798597 0.1254382 -0.5578924 0.1132672 -1.7318267 -0.5505933 -0.5765937 -0.5114336 -2.0425880 36 O -1.9670091 -0.1823412 -0.2558770 -0.1877546 -1.7921595 -0.1158342 -0.3141420 -0.0293349 -1.9973052 37 O -1.8153805 -0.0000000 0.3792422 -0.0000000 -1.9240340 -0.0000000 0.3564051 0.0000000 -2.2790070 38 O -2.0798597 0.1254382 0.5578924 0.1132672 -1.7318267 0.5505933 0.5765937 0.5114336 -2.0425880 39 O -1.9670091 0.1823412 -0.2558770 0.1877546 -1.7921595 0.1158342 -0.3141420 0.0293349 -1.9973052 40 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 0.8403319 -0.0000000 0.8827789 -1.9528901 41 O -2.0798597 0.1254382 -0.5578924 0.1132672 -1.7318267 -0.5505933 -0.5765937 -0.5114336 -2.0425880 42 O -1.7442419 -0.0144780 0.1555922 -0.0147762 -2.5373063 0.0544173 0.1320477 0.0540458 -1.8141529 43 O -1.8153805 -0.0000000 0.3792422 -0.0000000 -1.9240340 -0.0000000 0.3564051 0.0000000 -2.2790070 44 O -1.9670091 -0.1823412 0.2558770 -0.1877546 -1.7921595 0.1158342 0.3141420 0.0293349 -1.9973052 45 O -1.9670091 0.1823412 0.2558770 0.1877546 -1.7921595 -0.1158342 0.3141420 -0.0293349 -1.9973052 46 O -1.7442419 -0.0144780 0.1555922 -0.0147762 -2.5373063 0.0544173 0.1320477 0.0540458 -1.8141529 47 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 -0.8403319 -0.0000000 -0.8827789 -1.9528901 48 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 -0.0694104 -0.0000000 -0.2445324 -2.3546269 49 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 0.4530350 -0.0000000 0.3850013 -1.1825255 50 O -1.9670091 -0.1823412 -0.2558770 -0.1877546 -1.7921595 -0.1158342 -0.3141420 -0.0293349 -1.9973052 51 O -2.3458908 -0.1943970 -0.0137757 -0.3104491 -1.8700876 -0.0581396 0.0427804 -0.1050223 -1.5003892 52 O -2.3458908 0.1943970 -0.0137757 0.3104491 -1.8700876 0.0581396 0.0427804 0.1050223 -1.5003892 53 O -1.8153805 -0.0000000 -0.3792422 -0.0000000 -1.9240340 -0.0000000 -0.3564051 0.0000000 -2.2790070 54 O -1.8153805 -0.0000000 -0.3792422 -0.0000000 -1.9240340 -0.0000000 -0.3564051 0.0000000 -2.2790070 55 O -2.3458908 -0.1943970 0.0137757 -0.3104491 -1.8700876 0.0581396 -0.0427804 0.1050223 -1.5003892 56 O -2.0798597 -0.1254382 -0.5578924 -0.1132672 -1.7318267 0.5505933 -0.5765937 0.5114336 -2.0425880 57 O -2.0798597 -0.1254382 -0.5578924 -0.1132672 -1.7318267 0.5505933 -0.5765937 0.5114336 -2.0425880 58 O -1.7442419 0.0144780 0.1555922 0.0147762 -2.5373063 -0.0544173 0.1320477 -0.0540458 -1.8141529 59 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 0.8403319 -0.0000000 0.8827789 -1.9528901 60 O -1.7442419 -0.0144780 -0.1555922 -0.0147762 -2.5373063 -0.0544173 -0.1320477 -0.0540458 -1.8141529 61 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 0.0694104 -0.0000000 0.2445324 -2.3546269 62 O -1.7442419 0.0144780 -0.1555922 0.0147762 -2.5373063 0.0544173 -0.1320477 0.0540458 -1.8141529 63 O -1.9670091 0.1823412 0.2558770 0.1877546 -1.7921595 -0.1158342 0.3141420 -0.0293349 -1.9973052 64 O -2.3458908 -0.1943970 0.0137757 -0.3104491 -1.8700876 0.0581396 -0.0427804 0.1050223 -1.5003892 65 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 0.0694104 -0.0000000 0.2445324 -2.3546269 66 O -2.0798597 -0.1254382 0.5578924 -0.1132672 -1.7318267 -0.5505933 0.5765937 -0.5114336 -2.0425880 67 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 -0.4530350 -0.0000000 -0.3850013 -1.1825255 68 O -1.7442419 0.0144780 0.1555922 0.0147762 -2.5373063 -0.0544173 0.1320477 -0.0540458 -1.8141529 69 O -1.7442419 -0.0144780 -0.1555922 -0.0147762 -2.5373063 -0.0544173 -0.1320477 -0.0540458 -1.8141529 70 O -2.3458908 0.1943970 0.0137757 0.3104491 -1.8700876 -0.0581396 -0.0427804 -0.1050223 -1.5003892 71 O -2.0798597 -0.1254382 0.5578924 -0.1132672 -1.7318267 -0.5505933 0.5765937 -0.5114336 -2.0425880 72 O -1.7442419 0.0144780 -0.1555922 0.0147762 -2.5373063 0.0544173 -0.1320477 0.0540458 -1.8141529 73 O -2.0798597 0.1254382 0.5578924 0.1132672 -1.7318267 0.5505933 0.5765937 0.5114336 -2.0425880 74 O -1.9670091 -0.1823412 0.2558770 -0.1877546 -1.7921595 0.1158342 0.3141420 0.0293349 -1.9973052 75 O -2.3458908 -0.1943970 -0.0137757 -0.3104491 -1.8700876 -0.0581396 0.0427804 -0.1050223 -1.5003892 76 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 -0.4530350 -0.0000000 -0.3850013 -1.1825255 77 O -2.1614795 -0.0000000 0.0000000 -0.0000000 -2.1097271 -0.8403319 -0.0000000 -0.8827789 -1.9528901 78 O -2.3458908 0.1943970 0.0137757 0.3104491 -1.8700876 -0.0581396 -0.0427804 -0.1050223 -1.5003892 79 O -2.3631442 -0.0000000 0.0000000 -0.0000000 -2.6776284 0.4530350 -0.0000000 0.3850013 -1.1825255 80 O -1.7996664 -0.0000000 0.0000000 -0.0000000 -1.8356182 -0.0694104 -0.0000000 -0.2445324 -2.3546269 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (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 ... [ 4 11 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 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 1.888 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.485 ( 0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.355 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.726 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.860 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.600 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.971 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.105 ( 0.000 0.000 0.000) 0.000 11.117 ( 0.000 0.000 0.000) 0.000 11.171 ( 0.000 0.000 0.000) 0.000 11.182 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.351 ( 0.000 0.000 0.000) 0.000 11.371 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 11.968 ( 0.000 0.000 0.000) 0.000 12.005 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.046 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.250 ( 0.000 0.000 0.000) 0.000 12.310 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.517 ( 0.000 0.000 0.000) 0.000 12.521 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 12.748 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 12.947 ( 0.000 0.000 0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 13.115 ( 0.000 0.000 0.000) 0.000 13.304 ( 0.000 0.000 0.000) 0.000 13.312 ( 0.000 0.000 0.000) 0.000 13.358 ( 0.000 0.000 0.000) 0.000 13.428 ( 0.000 0.000 0.000) 0.000 13.550 ( 0.000 0.000 0.000) 0.000 13.728 ( 0.000 0.000 0.000) 0.000 13.789 ( 0.000 0.000 0.000) 0.000 13.926 ( 0.000 0.000 0.000) 0.000 14.077 ( 0.000 0.000 0.000) 0.000 14.136 ( 0.000 0.000 0.000) 0.000 14.405 ( 0.000 0.000 0.000) 0.000 14.717 ( 0.000 0.000 0.000) 0.000 14.774 ( 0.000 0.000 0.000) 0.000 14.928 ( 0.000 0.000 0.000) 0.000 15.328 ( 0.000 0.000 0.000) 0.000 15.353 ( 0.000 0.000 0.000) 0.000 15.559 ( 0.000 0.000 0.000) 0.000 15.572 ( 0.000 0.000 0.000) 0.000 15.693 ( 0.000 0.000 0.000) 0.000 15.749 ( 0.000 0.000 0.000) 0.000 15.974 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.413 ( 0.000 0.000 0.000) 0.000 16.673 ( 0.000 0.000 0.000) 0.000 16.795 ( 0.000 0.000 0.000) 0.000 16.813 ( 0.000 0.000 0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 17.155 ( 0.000 0.000 0.000) 0.000 17.215 ( 0.000 0.000 0.000) 0.000 17.378 ( 0.000 0.000 0.000) 0.000 17.596 ( 0.000 0.000 0.000) 0.000 17.809 ( 0.000 0.000 0.000) 0.000 17.903 ( 0.000 0.000 0.000) 0.000 17.956 ( 0.000 0.000 0.000) 0.000 18.100 ( 0.000 0.000 0.000) 0.000 18.126 ( 0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 18.271 ( 0.000 0.000 0.000) 0.000 18.335 ( 0.000 0.000 0.000) 0.000 18.583 ( 0.000 0.000 0.000) 0.000 18.643 ( 0.000 0.000 0.000) 0.000 18.695 ( 0.000 0.000 0.000) 0.000 18.728 ( 0.000 0.000 0.000) 0.000 18.855 ( 0.000 0.000 0.000) 0.000 19.095 ( 0.000 0.000 0.000) 0.000 19.187 ( 0.000 0.000 0.000) 0.000 19.313 ( 0.000 0.000 0.000) 0.000 19.336 ( 0.000 0.000 0.000) 0.000 19.372 ( 0.000 0.000 0.000) 0.000 19.623 ( 0.000 0.000 0.000) 0.000 19.710 ( 0.000 0.000 0.000) 0.000 20.002 ( 0.000 0.000 0.000) 0.000 20.440 ( 0.000 0.000 0.000) 0.000 20.610 ( 0.000 0.000 0.000) 0.000 20.614 ( 0.000 0.000 0.000) 0.000 20.730 ( 0.000 0.000 0.000) 0.000 20.763 ( 0.000 0.000 0.000) 0.000 20.781 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 20.988 ( 0.000 0.000 0.000) 0.000 21.032 ( 0.000 0.000 0.000) 0.000 21.157 ( 0.000 0.000 0.000) 0.000 21.232 ( 0.000 0.000 0.000) 0.000 21.917 ( 0.000 0.000 0.000) 0.000 22.122 ( 0.000 0.000 0.000) 0.000 22.134 ( 0.000 0.000 0.000) 0.000 22.317 ( 0.000 0.000 0.000) 0.000 22.394 ( 0.000 0.000 0.000) 0.000 22.483 ( 0.000 0.000 0.000) 0.000 22.781 ( 0.000 0.000 0.000) 0.000 22.820 ( 0.000 0.000 0.000) 0.000 22.976 ( 0.000 0.000 0.000) 0.000 23.049 ( 0.000 0.000 0.000) 0.000 23.293 ( 0.000 0.000 0.000) 0.000 23.552 ( 0.000 0.000 0.000) 0.000 23.639 ( 0.000 0.000 0.000) 0.000 23.699 ( 0.000 0.000 0.000) 0.000 23.742 ( 0.000 0.000 0.000) 0.000 23.752 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 24.003 ( 0.000 0.000 0.000) 0.000 24.215 ( 0.000 0.000 0.000) 0.000 24.236 ( 0.000 0.000 0.000) 0.000 24.306 ( 0.000 0.000 0.000) 0.000 24.395 ( 0.000 0.000 0.000) 0.000 24.612 ( 0.000 0.000 0.000) 0.000 25.141 ( 0.000 0.000 0.000) 0.000 25.196 ( 0.000 0.000 0.000) 0.000 25.433 ( 0.000 0.000 0.000) 0.000 25.564 ( 0.000 0.000 0.000) 0.000 25.844 ( 0.000 0.000 0.000) 0.000 25.948 ( 0.000 0.000 0.000) 0.000 25.968 ( 0.000 0.000 0.000) 0.000 26.108 ( 0.000 0.000 0.000) 0.000 26.174 ( 0.000 0.000 0.000) 0.000 26.283 ( 0.000 0.000 0.000) 0.000 27.296 ( 0.000 0.000 0.000) 0.000 27.414 ( 0.000 0.000 0.000) 0.000 27.631 ( 0.000 0.000 0.000) 0.000 27.866 ( 0.000 0.000 0.000) 0.000 28.030 ( 0.000 0.000 0.000) 0.000 28.261 ( 0.000 0.000 0.000) 0.000 28.503 ( 0.000 0.000 0.000) 0.000 28.657 ( 0.000 0.000 0.000) 0.000 28.784 ( 0.000 0.000 0.000) 0.000 28.810 ( 0.000 0.000 0.000) 0.000 28.861 ( 0.000 0.000 0.000) 0.000 28.871 ( 0.000 0.000 0.000) 0.000 28.977 ( 0.000 0.000 0.000) 0.000 29.574 ( 0.000 0.000 0.000) 0.000 29.790 ( 0.000 0.000 0.000) 0.000 29.974 ( 0.000 0.000 0.000) 0.000 30.059 ( 0.000 0.000 0.000) 0.000 30.074 ( 0.000 0.000 0.000) 0.000 30.638 ( 0.000 0.000 0.000) 0.000 30.708 ( 0.000 0.000 0.000) 0.000 30.756 ( 0.000 0.000 0.000) 0.000 30.773 ( 0.000 0.000 0.000) 0.000 30.855 ( 0.000 0.000 0.000) 0.000 31.004 ( 0.000 0.000 0.000) 0.000 31.056 ( 0.000 0.000 0.000) 0.000 31.708 ( 0.000 0.000 0.000) 0.000 31.726 ( 0.000 0.000 0.000) 0.000 31.774 ( 0.000 0.000 0.000) 0.000 31.801 ( 0.000 0.000 0.000) 0.000 31.885 ( 0.000 0.000 0.000) 0.000 31.992 ( 0.000 0.000 0.000) 0.000 32.077 ( 0.000 0.000 0.000) 0.000 32.533 ( 0.000 0.000 0.000) 0.000 32.563 ( 0.000 0.000 0.000) 0.000 32.847 ( 0.000 0.000 0.000) 0.000 32.854 ( 0.000 0.000 0.000) 0.000 32.985 ( 0.000 0.000 0.000) 0.000 33.171 ( 0.000 0.000 0.000) 0.000 33.620 ( 0.000 0.000 0.000) 0.000 33.620 ( 0.000 0.000 0.000) 0.000 33.627 ( 0.000 0.000 0.000) 0.000 34.425 ( 0.000 0.000 0.000) 0.000 34.606 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.787 ( 36.580 0.000 0.000) 36.580 0.791 ( 39.454 0.000 0.000) 39.454 1.559 ( 75.134 0.000 0.000) 75.134 1.781 ( -10.992 0.000 0.000) 10.992 2.104 ( -11.829 0.000 0.000) 11.829 2.528 ( -3.997 0.000 0.000) 3.997 2.636 ( -5.865 0.000 0.000) 5.865 2.656 ( -2.267 0.000 0.000) 2.267 2.695 ( 7.583 0.000 0.000) 7.583 2.970 ( 6.616 0.000 0.000) 6.616 2.993 ( 0.076 0.000 0.000) 0.076 3.032 ( 8.824 0.000 0.000) 8.824 3.068 ( -0.801 0.000 0.000) 0.801 3.125 ( 8.054 0.000 0.000) 8.054 3.194 ( -10.403 0.000 0.000) 10.403 3.264 ( -0.345 0.000 0.000) 0.345 3.410 ( -5.220 0.000 0.000) 5.220 3.451 ( -4.929 0.000 0.000) 4.929 3.533 ( 3.945 0.000 0.000) 3.945 3.567 ( -7.672 0.000 0.000) 7.672 3.624 ( -17.403 0.000 0.000) 17.403 3.740 ( -11.431 0.000 0.000) 11.431 3.836 ( 0.739 0.000 0.000) 0.739 4.082 ( 0.672 0.000 0.000) 0.672 4.215 ( 6.079 0.000 0.000) 6.079 4.267 ( 2.387 0.000 0.000) 2.387 4.311 ( -21.976 0.000 0.000) 21.976 4.387 ( -4.372 0.000 0.000) 4.372 4.674 ( 5.216 0.000 0.000) 5.216 4.847 ( -3.542 0.000 0.000) 3.542 5.007 ( -8.320 0.000 0.000) 8.320 5.007 ( -8.097 0.000 0.000) 8.097 5.245 ( 10.742 0.000 0.000) 10.742 5.402 ( 21.923 0.000 0.000) 21.923 5.631 ( -8.946 0.000 0.000) 8.946 5.976 ( -7.620 0.000 0.000) 7.620 6.248 ( 5.808 0.000 0.000) 5.808 6.448 ( 1.117 0.000 0.000) 1.117 6.533 ( 4.445 0.000 0.000) 4.445 6.678 ( 0.584 0.000 0.000) 0.584 6.712 ( 1.034 0.000 0.000) 1.034 6.782 ( -3.933 0.000 0.000) 3.933 6.929 ( 7.036 0.000 0.000) 7.036 7.211 ( 0.229 0.000 0.000) 0.229 7.222 ( 17.051 0.000 0.000) 17.051 7.304 ( 2.213 0.000 0.000) 2.213 7.340 ( 5.786 0.000 0.000) 5.786 7.465 ( -10.669 0.000 0.000) 10.669 7.646 ( -3.926 0.000 0.000) 3.926 7.697 ( -0.877 0.000 0.000) 0.877 7.768 ( -15.552 0.000 0.000) 15.552 7.871 ( 2.786 0.000 0.000) 2.786 7.911 ( -4.527 0.000 0.000) 4.527 7.983 ( -2.308 0.000 0.000) 2.308 8.004 ( 9.562 0.000 0.000) 9.562 8.133 ( 0.786 0.000 0.000) 0.786 8.465 ( 3.503 0.000 0.000) 3.503 8.474 ( 2.985 0.000 0.000) 2.985 8.488 ( 12.170 0.000 0.000) 12.170 8.808 ( -12.430 0.000 0.000) 12.430 8.989 ( 20.222 0.000 0.000) 20.222 9.422 ( -26.564 0.000 0.000) 26.564 9.530 ( -7.179 0.000 0.000) 7.179 9.545 ( -23.148 0.000 0.000) 23.148 9.578 ( -8.317 0.000 0.000) 8.317 9.643 ( 22.177 0.000 0.000) 22.177 9.668 ( -1.734 0.000 0.000) 1.734 9.743 ( -5.656 0.000 0.000) 5.656 10.096 ( 12.948 0.000 0.000) 12.948 10.147 ( -8.770 0.000 0.000) 8.770 10.156 ( 9.316 0.000 0.000) 9.316 10.367 ( 7.980 0.000 0.000) 7.980 10.567 ( -2.891 0.000 0.000) 2.891 10.619 ( -16.417 0.000 0.000) 16.417 10.867 ( -15.359 0.000 0.000) 15.359 10.875 ( -8.412 0.000 0.000) 8.412 11.147 ( 3.550 0.000 0.000) 3.550 11.167 ( 4.196 0.000 0.000) 4.196 11.185 ( 7.363 0.000 0.000) 7.363 11.309 ( -3.362 0.000 0.000) 3.362 11.315 ( 5.960 0.000 0.000) 5.960 11.316 ( -1.471 0.000 0.000) 1.471 11.381 ( 13.281 0.000 0.000) 13.281 11.597 ( 16.999 0.000 0.000) 16.999 11.676 ( 14.518 0.000 0.000) 14.518 11.976 ( -4.084 0.000 0.000) 4.084 12.010 ( -10.051 0.000 0.000) 10.051 12.051 ( -0.593 0.000 0.000) 0.593 12.085 ( 7.666 0.000 0.000) 7.666 12.128 ( 14.673 0.000 0.000) 14.673 12.163 ( -7.444 0.000 0.000) 7.444 12.210 ( -16.531 0.000 0.000) 16.531 12.212 ( -1.532 0.000 0.000) 1.532 12.452 ( -2.191 0.000 0.000) 2.191 12.592 ( -26.482 0.000 0.000) 26.482 12.648 ( 12.326 0.000 0.000) 12.326 12.759 ( 11.521 0.000 0.000) 11.521 12.806 ( -1.336 0.000 0.000) 1.336 12.908 ( 3.163 0.000 0.000) 3.163 12.993 ( 2.260 0.000 0.000) 2.260 13.218 ( -10.816 0.000 0.000) 10.816 13.250 ( 9.942 0.000 0.000) 9.942 13.344 ( 2.877 0.000 0.000) 2.877 13.415 ( -2.396 0.000 0.000) 2.396 13.473 ( -7.171 0.000 0.000) 7.171 13.482 ( 0.164 0.000 0.000) 0.164 13.755 ( -0.928 0.000 0.000) 0.928 13.950 ( 14.160 0.000 0.000) 14.160 13.978 ( 6.768 0.000 0.000) 6.768 14.140 ( -0.098 0.000 0.000) 0.098 14.187 ( 9.931 0.000 0.000) 9.931 14.392 ( -3.125 0.000 0.000) 3.125 14.706 ( -1.205 0.000 0.000) 1.205 14.836 ( -7.604 0.000 0.000) 7.604 14.917 ( 12.999 0.000 0.000) 12.999 15.279 ( -1.777 0.000 0.000) 1.777 15.376 ( 0.948 0.000 0.000) 0.948 15.381 ( -12.778 0.000 0.000) 12.778 15.565 ( -10.888 0.000 0.000) 10.888 15.639 ( 6.002 0.000 0.000) 6.002 15.788 ( 3.542 0.000 0.000) 3.542 15.847 ( -2.968 0.000 0.000) 2.968 16.083 ( -26.571 0.000 0.000) 26.571 16.302 ( -27.310 0.000 0.000) 27.310 16.793 ( 22.782 0.000 0.000) 22.782 16.814 ( 9.022 0.000 0.000) 9.022 16.924 ( 12.972 0.000 0.000) 12.972 17.056 ( 1.789 0.000 0.000) 1.789 17.292 ( 4.787 0.000 0.000) 4.787 17.437 ( 4.438 0.000 0.000) 4.438 17.516 ( 15.450 0.000 0.000) 15.450 17.557 ( -3.716 0.000 0.000) 3.716 17.633 ( -14.414 0.000 0.000) 14.414 17.859 ( -17.519 0.000 0.000) 17.519 18.001 ( 9.590 0.000 0.000) 9.590 18.061 ( -0.811 0.000 0.000) 0.811 18.156 ( -3.455 0.000 0.000) 3.455 18.240 ( -1.633 0.000 0.000) 1.633 18.446 ( 6.101 0.000 0.000) 6.101 18.557 ( -2.726 0.000 0.000) 2.726 18.606 ( -3.933 0.000 0.000) 3.933 18.627 ( -3.199 0.000 0.000) 3.199 18.651 ( -3.831 0.000 0.000) 3.831 18.737 ( -9.290 0.000 0.000) 9.290 18.894 ( 7.709 0.000 0.000) 7.709 19.112 ( 0.431 0.000 0.000) 0.431 19.300 ( -1.109 0.000 0.000) 1.109 19.347 ( -1.348 0.000 0.000) 1.348 19.381 ( 15.524 0.000 0.000) 15.524 19.553 ( 12.408 0.000 0.000) 12.408 19.779 ( 14.064 0.000 0.000) 14.064 19.796 ( 8.194 0.000 0.000) 8.194 19.993 ( -0.653 0.000 0.000) 0.653 20.323 ( -11.057 0.000 0.000) 11.057 20.450 ( -7.455 0.000 0.000) 7.455 20.634 ( -0.346 0.000 0.000) 0.346 20.678 ( 8.957 0.000 0.000) 8.957 20.828 ( 3.841 0.000 0.000) 3.841 20.902 ( -0.542 0.000 0.000) 0.542 20.982 ( -13.716 0.000 0.000) 13.716 21.025 ( -11.198 0.000 0.000) 11.198 21.081 ( 3.551 0.000 0.000) 3.551 21.163 ( 11.615 0.000 0.000) 11.615 21.166 ( -7.179 0.000 0.000) 7.179 21.856 ( -16.456 0.000 0.000) 16.456 21.859 ( -19.668 0.000 0.000) 19.668 22.172 ( 18.379 0.000 0.000) 18.379 22.236 ( -2.040 0.000 0.000) 2.040 22.609 ( 17.952 0.000 0.000) 17.952 22.689 ( 8.277 0.000 0.000) 8.277 22.842 ( 3.197 0.000 0.000) 3.197 22.844 ( 2.654 0.000 0.000) 2.654 22.859 ( -10.752 0.000 0.000) 10.752 23.195 ( 8.033 0.000 0.000) 8.033 23.218 ( -7.857 0.000 0.000) 7.857 23.536 ( -3.032 0.000 0.000) 3.032 23.565 ( -11.454 0.000 0.000) 11.454 23.608 ( -1.367 0.000 0.000) 1.367 23.648 ( -6.859 0.000 0.000) 6.859 23.830 ( -13.040 0.000 0.000) 13.040 23.924 ( 3.977 0.000 0.000) 3.977 24.050 ( 6.265 0.000 0.000) 6.265 24.181 ( -6.685 0.000 0.000) 6.685 24.231 ( -3.897 0.000 0.000) 3.897 24.540 ( 13.597 0.000 0.000) 13.597 24.898 ( 22.380 0.000 0.000) 22.380 25.141 ( -18.683 0.000 0.000) 18.683 25.293 ( 9.663 0.000 0.000) 9.663 25.402 ( 20.353 0.000 0.000) 20.353 25.537 ( -4.037 0.000 0.000) 4.037 25.766 ( -6.614 0.000 0.000) 6.614 25.836 ( -12.042 0.000 0.000) 12.042 25.955 ( 2.616 0.000 0.000) 2.616 26.123 ( 0.948 0.000 0.000) 0.948 26.308 ( 3.015 0.000 0.000) 3.015 26.553 ( 36.656 0.000 0.000) 36.656 27.153 ( -33.320 0.000 0.000) 33.320 27.319 ( 1.112 0.000 0.000) 1.112 27.397 ( -1.609 0.000 0.000) 1.609 27.911 ( 4.250 0.000 0.000) 4.250 28.126 ( -38.691 0.000 0.000) 38.691 28.136 ( -4.119 0.000 0.000) 4.119 28.393 ( 16.406 0.000 0.000) 16.406 28.429 ( -3.402 0.000 0.000) 3.402 28.528 ( -7.691 0.000 0.000) 7.691 28.898 ( -7.718 0.000 0.000) 7.718 28.923 ( 14.949 0.000 0.000) 14.949 29.021 ( 13.770 0.000 0.000) 13.770 29.323 ( 18.233 0.000 0.000) 18.233 29.402 ( -3.074 0.000 0.000) 3.074 29.613 ( -12.070 0.000 0.000) 12.070 29.698 ( 10.921 0.000 0.000) 10.921 29.919 ( -13.739 0.000 0.000) 13.739 30.039 ( -2.767 0.000 0.000) 2.767 30.162 ( 12.870 0.000 0.000) 12.870 30.601 ( -8.526 0.000 0.000) 8.526 30.624 ( -0.948 0.000 0.000) 0.948 30.737 ( -7.839 0.000 0.000) 7.839 30.847 ( 6.900 0.000 0.000) 6.900 31.031 ( 4.159 0.000 0.000) 4.159 31.157 ( 6.226 0.000 0.000) 6.226 31.163 ( 7.569 0.000 0.000) 7.569 31.510 ( -10.787 0.000 0.000) 10.787 31.615 ( -10.499 0.000 0.000) 10.499 31.841 ( 3.666 0.000 0.000) 3.666 31.920 ( 4.490 0.000 0.000) 4.490 31.990 ( 0.013 0.000 0.000) 0.013 32.039 ( -2.482 0.000 0.000) 2.482 32.591 ( 6.596 0.000 0.000) 6.596 32.652 ( 6.905 0.000 0.000) 6.905 32.816 ( -1.650 0.000 0.000) 1.650 32.841 ( -1.375 0.000 0.000) 1.375 32.864 ( 1.200 0.000 0.000) 1.200 32.964 ( -2.107 0.000 0.000) 2.107 33.227 ( 5.216 0.000 0.000) 5.216 33.535 ( -7.938 0.000 0.000) 7.938 33.620 ( -0.011 0.000 0.000) 0.011 33.625 ( -0.222 0.000 0.000) 0.222 34.436 ( 1.273 0.000 0.000) 1.273 34.563 ( -3.885 0.000 0.000) 3.885 ======================= Grid point 2 (3/54) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.342 ( -10.498 0.000 0.000) 10.498 1.342 ( 10.498 0.000 0.000) 10.498 1.627 ( -21.325 0.000 0.000) 21.325 1.627 ( 21.325 0.000 0.000) 21.325 2.580 ( -2.721 0.000 0.000) 2.721 2.580 ( 2.721 0.000 0.000) 2.721 2.711 ( -12.340 0.000 0.000) 12.340 2.711 ( 12.340 0.000 0.000) 12.340 2.892 ( -50.272 0.000 0.000) 50.272 2.892 ( 50.272 0.000 0.000) 50.272 2.959 ( -1.070 0.000 0.000) 1.070 2.959 ( 1.070 0.000 0.000) 1.070 3.104 ( -5.759 0.000 0.000) 5.759 3.104 ( 5.759 0.000 0.000) 5.759 3.226 ( -3.363 0.000 0.000) 3.363 3.226 ( 3.363 0.000 0.000) 3.363 3.247 ( -3.156 0.000 0.000) 3.156 3.247 ( 3.156 0.000 0.000) 3.156 3.430 ( -4.257 0.000 0.000) 4.257 3.430 ( 4.257 0.000 0.000) 4.257 3.598 ( -3.664 0.000 0.000) 3.664 3.598 ( 3.664 0.000 0.000) 3.664 3.889 ( -6.194 0.000 0.000) 6.194 3.889 ( 6.194 0.000 0.000) 6.194 4.279 ( -1.235 0.000 0.000) 1.235 4.279 ( 1.235 0.000 0.000) 1.235 4.315 ( -2.869 0.000 0.000) 2.869 4.315 ( 2.869 0.000 0.000) 2.869 4.770 ( -4.426 0.000 0.000) 4.426 4.770 ( 4.426 0.000 0.000) 4.426 4.902 ( -0.005 0.000 0.000) 0.005 4.902 ( 0.005 0.000 0.000) 0.005 5.444 ( -9.634 0.000 0.000) 9.634 5.444 ( 9.634 0.000 0.000) 9.634 5.759 ( -14.552 0.000 0.000) 14.552 5.759 ( 14.552 0.000 0.000) 14.552 6.395 ( -6.993 0.000 0.000) 6.993 6.395 ( 6.993 0.000 0.000) 6.993 6.645 ( -6.223 0.000 0.000) 6.223 6.645 ( 6.223 0.000 0.000) 6.223 6.712 ( -2.766 0.000 0.000) 2.766 6.712 ( 2.766 0.000 0.000) 2.766 7.066 ( -7.843 0.000 0.000) 7.843 7.066 ( 7.843 0.000 0.000) 7.843 7.441 ( -9.504 0.000 0.000) 9.504 7.441 ( 9.504 0.000 0.000) 9.504 7.449 ( -1.677 0.000 0.000) 1.677 7.449 ( 1.677 0.000 0.000) 1.677 7.532 ( -3.984 0.000 0.000) 3.984 7.532 ( 3.984 0.000 0.000) 3.984 7.763 ( -8.529 0.000 0.000) 8.529 7.763 ( 8.529 0.000 0.000) 8.529 7.937 ( -2.981 0.000 0.000) 2.981 7.937 ( 2.981 0.000 0.000) 2.981 8.135 ( -2.524 0.000 0.000) 2.524 8.135 ( 2.524 0.000 0.000) 2.524 8.553 ( -3.498 0.000 0.000) 3.498 8.553 ( 3.498 0.000 0.000) 3.498 8.716 ( -13.236 0.000 0.000) 13.236 8.716 ( 13.236 0.000 0.000) 13.236 8.966 ( -2.645 0.000 0.000) 2.645 8.966 ( 2.645 0.000 0.000) 2.645 9.358 ( -14.943 0.000 0.000) 14.943 9.358 ( 14.943 0.000 0.000) 14.943 9.569 ( -9.478 0.000 0.000) 9.478 9.569 ( 9.478 0.000 0.000) 9.478 9.906 ( -9.893 0.000 0.000) 9.893 9.906 ( 9.893 0.000 0.000) 9.893 10.155 ( -21.509 0.000 0.000) 21.509 10.155 ( 21.509 0.000 0.000) 21.509 10.277 ( -2.690 0.000 0.000) 2.690 10.277 ( 2.690 0.000 0.000) 2.690 10.588 ( -9.695 0.000 0.000) 9.695 10.588 ( 9.695 0.000 0.000) 9.695 10.667 ( -12.716 0.000 0.000) 12.716 10.667 ( 12.716 0.000 0.000) 12.716 11.218 ( -3.076 0.000 0.000) 3.076 11.218 ( 3.076 0.000 0.000) 3.076 11.244 ( -3.388 0.000 0.000) 3.388 11.244 ( 3.388 0.000 0.000) 3.388 11.335 ( -2.450 0.000 0.000) 2.450 11.335 ( 2.450 0.000 0.000) 2.450 11.693 ( -18.066 0.000 0.000) 18.066 11.693 ( 18.066 0.000 0.000) 18.066 11.918 ( -14.603 0.000 0.000) 14.603 11.918 ( 14.603 0.000 0.000) 14.603 11.926 ( -4.603 0.000 0.000) 4.603 11.926 ( 4.603 0.000 0.000) 4.603 12.044 ( -3.353 0.000 0.000) 3.353 12.044 ( 3.353 0.000 0.000) 3.353 12.232 ( -6.058 0.000 0.000) 6.058 12.232 ( 6.058 0.000 0.000) 6.058 12.281 ( -11.536 0.000 0.000) 11.536 12.281 ( 11.536 0.000 0.000) 11.536 12.497 ( -18.853 0.000 0.000) 18.853 12.497 ( 18.853 0.000 0.000) 18.853 12.877 ( -6.403 0.000 0.000) 6.403 12.877 ( 6.403 0.000 0.000) 6.403 13.063 ( -4.379 0.000 0.000) 4.379 13.063 ( 4.379 0.000 0.000) 4.379 13.182 ( -20.158 0.000 0.000) 20.158 13.182 ( 20.158 0.000 0.000) 20.158 13.353 ( -3.355 0.000 0.000) 3.355 13.353 ( 3.355 0.000 0.000) 3.355 13.406 ( -3.346 0.000 0.000) 3.346 13.406 ( 3.346 0.000 0.000) 3.346 13.929 ( -12.885 0.000 0.000) 12.885 13.929 ( 12.885 0.000 0.000) 12.885 14.213 ( -14.300 0.000 0.000) 14.300 14.213 ( 14.300 0.000 0.000) 14.300 14.260 ( -4.536 0.000 0.000) 4.536 14.260 ( 4.536 0.000 0.000) 4.536 14.711 ( -3.483 0.000 0.000) 3.483 14.711 ( 3.483 0.000 0.000) 3.483 15.200 ( -12.591 0.000 0.000) 12.591 15.200 ( 12.591 0.000 0.000) 12.591 15.335 ( -5.176 0.000 0.000) 5.176 15.335 ( 5.176 0.000 0.000) 5.176 15.547 ( -17.695 0.000 0.000) 17.695 15.547 ( 17.695 0.000 0.000) 17.695 15.781 ( -4.390 0.000 0.000) 4.390 15.781 ( 4.390 0.000 0.000) 4.390 15.912 ( -11.469 0.000 0.000) 11.469 15.912 ( 11.469 0.000 0.000) 11.469 16.989 ( -5.373 0.000 0.000) 5.373 16.989 ( 5.373 0.000 0.000) 5.373 17.188 ( -9.650 0.000 0.000) 9.650 17.188 ( 9.650 0.000 0.000) 9.650 17.274 ( -20.684 0.000 0.000) 20.684 17.274 ( 20.684 0.000 0.000) 20.684 17.470 ( -0.060 0.000 0.000) 0.060 17.470 ( 0.060 0.000 0.000) 0.060 17.700 ( -3.955 0.000 0.000) 3.955 17.700 ( 3.955 0.000 0.000) 3.955 18.077 ( -2.808 0.000 0.000) 2.808 18.077 ( 2.808 0.000 0.000) 2.808 18.201 ( -5.855 0.000 0.000) 5.855 18.201 ( 5.855 0.000 0.000) 5.855 18.514 ( -1.518 0.000 0.000) 1.518 18.514 ( 1.518 0.000 0.000) 1.518 18.588 ( -2.762 0.000 0.000) 2.762 18.588 ( 2.762 0.000 0.000) 2.762 18.589 ( -1.486 0.000 0.000) 1.486 18.589 ( 1.486 0.000 0.000) 1.486 19.043 ( -7.009 0.000 0.000) 7.009 19.043 ( 7.009 0.000 0.000) 7.009 19.311 ( -2.048 0.000 0.000) 2.048 19.311 ( 2.048 0.000 0.000) 2.048 19.633 ( -6.115 0.000 0.000) 6.115 19.633 ( 6.115 0.000 0.000) 6.115 19.939 ( -2.614 0.000 0.000) 2.614 19.939 ( 2.614 0.000 0.000) 2.614 20.091 ( -11.750 0.000 0.000) 11.750 20.091 ( 11.750 0.000 0.000) 11.750 20.495 ( -9.821 0.000 0.000) 9.821 20.495 ( 9.821 0.000 0.000) 9.821 20.846 ( -4.763 0.000 0.000) 4.763 20.846 ( 4.763 0.000 0.000) 4.763 20.877 ( -1.067 0.000 0.000) 1.067 20.877 ( 1.067 0.000 0.000) 1.067 20.955 ( -13.005 0.000 0.000) 13.005 20.955 ( 13.005 0.000 0.000) 13.005 21.190 ( -5.591 0.000 0.000) 5.591 21.190 ( 5.591 0.000 0.000) 5.591 21.642 ( -1.514 0.000 0.000) 1.514 21.642 ( 1.514 0.000 0.000) 1.514 22.355 ( -6.027 0.000 0.000) 6.027 22.355 ( 6.027 0.000 0.000) 6.027 22.715 ( -1.722 0.000 0.000) 1.722 22.715 ( 1.722 0.000 0.000) 1.722 22.850 ( -3.198 0.000 0.000) 3.198 22.850 ( 3.198 0.000 0.000) 3.198 22.989 ( -13.928 0.000 0.000) 13.928 22.989 ( 13.928 0.000 0.000) 13.928 23.360 ( -7.914 0.000 0.000) 7.914 23.360 ( 7.914 0.000 0.000) 7.914 23.540 ( -2.702 0.000 0.000) 2.702 23.540 ( 2.702 0.000 0.000) 2.702 23.638 ( -5.357 0.000 0.000) 5.357 23.638 ( 5.357 0.000 0.000) 5.357 24.028 ( -7.116 0.000 0.000) 7.116 24.028 ( 7.116 0.000 0.000) 7.116 24.157 ( -4.327 0.000 0.000) 4.327 24.157 ( 4.327 0.000 0.000) 4.327 24.820 ( -14.676 0.000 0.000) 14.676 24.820 ( 14.676 0.000 0.000) 14.676 25.321 ( -18.190 0.000 0.000) 18.190 25.321 ( 18.190 0.000 0.000) 18.190 25.550 ( -15.441 0.000 0.000) 15.441 25.550 ( 15.441 0.000 0.000) 15.441 25.661 ( -5.239 0.000 0.000) 5.239 25.661 ( 5.239 0.000 0.000) 5.239 26.097 ( -6.065 0.000 0.000) 6.065 26.097 ( 6.065 0.000 0.000) 6.065 26.525 ( -24.639 0.000 0.000) 24.639 26.525 ( 24.639 0.000 0.000) 24.639 27.331 ( -41.311 0.000 0.000) 41.311 27.331 ( 41.311 0.000 0.000) 41.311 27.358 ( -2.236 0.000 0.000) 2.236 27.358 ( 2.236 0.000 0.000) 2.236 28.018 ( -6.326 0.000 0.000) 6.326 28.018 ( 6.326 0.000 0.000) 6.326 28.423 ( -2.720 0.000 0.000) 2.720 28.423 ( 2.720 0.000 0.000) 2.720 28.691 ( -13.147 0.000 0.000) 13.147 28.691 ( 13.147 0.000 0.000) 13.147 29.179 ( -5.952 0.000 0.000) 5.952 29.179 ( 5.952 0.000 0.000) 5.952 29.380 ( -8.056 0.000 0.000) 8.056 29.380 ( 8.056 0.000 0.000) 8.056 29.628 ( -14.451 0.000 0.000) 14.451 29.628 ( 14.451 0.000 0.000) 14.451 29.918 ( -9.740 0.000 0.000) 9.740 29.918 ( 9.740 0.000 0.000) 9.740 30.405 ( -11.415 0.000 0.000) 11.415 30.405 ( 11.415 0.000 0.000) 11.415 30.630 ( -2.472 0.000 0.000) 2.472 30.630 ( 2.472 0.000 0.000) 2.472 30.992 ( -6.322 0.000 0.000) 6.322 30.992 ( 6.322 0.000 0.000) 6.322 31.320 ( -8.698 0.000 0.000) 8.698 31.320 ( 8.698 0.000 0.000) 8.698 31.370 ( -13.161 0.000 0.000) 13.161 31.370 ( 13.161 0.000 0.000) 13.161 31.918 ( -3.317 0.000 0.000) 3.317 31.918 ( 3.317 0.000 0.000) 3.317 32.002 ( -1.291 0.000 0.000) 1.291 32.002 ( 1.291 0.000 0.000) 1.291 32.755 ( -7.743 0.000 0.000) 7.743 32.755 ( 7.743 0.000 0.000) 7.743 32.764 ( -3.949 0.000 0.000) 3.949 32.764 ( 3.949 0.000 0.000) 3.949 32.908 ( -3.171 0.000 0.000) 3.171 32.908 ( 3.171 0.000 0.000) 3.171 33.361 ( -8.421 0.000 0.000) 8.421 33.361 ( 8.421 0.000 0.000) 8.421 33.621 ( -0.140 0.000 0.000) 0.140 33.621 ( 0.140 0.000 0.000) 0.140 34.483 ( -3.603 0.000 0.000) 3.603 34.483 ( 3.603 0.000 0.000) 3.603 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.616 ( 0.000 30.497 0.000) 30.497 0.653 ( 0.000 32.387 0.000) 32.387 0.841 ( 0.000 42.076 0.000) 42.076 1.985 ( 0.000 9.454 0.000) 9.454 2.202 ( 0.000 6.564 0.000) 6.564 2.663 ( 0.000 5.183 0.000) 5.183 2.688 ( 0.000 -5.045 0.000) 5.045 2.742 ( 0.000 -5.314 0.000) 5.314 2.746 ( 0.000 6.177 0.000) 6.177 2.903 ( 0.000 0.718 0.000) 0.718 2.916 ( 0.000 2.681 0.000) 2.681 2.917 ( 0.000 6.584 0.000) 6.584 3.084 ( 0.000 1.785 0.000) 1.785 3.092 ( 0.000 4.457 0.000) 4.457 3.281 ( 0.000 1.962 0.000) 1.962 3.394 ( 0.000 -0.070 0.000) 0.070 3.427 ( 0.000 -2.148 0.000) 2.148 3.431 ( 0.000 -0.282 0.000) 0.282 3.509 ( 0.000 -0.321 0.000) 0.321 3.631 ( 0.000 -2.737 0.000) 2.737 3.715 ( 0.000 -5.796 0.000) 5.796 3.753 ( 0.000 -5.328 0.000) 5.328 3.954 ( 0.000 3.308 0.000) 3.308 3.973 ( 0.000 -1.421 0.000) 1.421 4.110 ( 0.000 -1.906 0.000) 1.906 4.277 ( 0.000 4.464 0.000) 4.464 4.461 ( 0.000 -1.182 0.000) 1.182 4.583 ( 0.000 -2.028 0.000) 2.028 4.760 ( 0.000 -7.155 0.000) 7.155 4.886 ( 0.000 -4.250 0.000) 4.250 4.906 ( 0.000 -1.582 0.000) 1.582 5.069 ( 0.000 -3.767 0.000) 3.767 5.117 ( 0.000 1.092 0.000) 1.092 5.146 ( 0.000 3.330 0.000) 3.330 5.752 ( 0.000 0.041 0.000) 0.041 6.040 ( 0.000 -1.228 0.000) 1.228 6.157 ( 0.000 -4.062 0.000) 4.062 6.199 ( 0.000 0.352 0.000) 0.352 6.436 ( 0.000 0.830 0.000) 0.830 6.491 ( 0.000 0.644 0.000) 0.644 6.698 ( 0.000 1.416 0.000) 1.416 6.757 ( 0.000 -8.460 0.000) 8.460 6.914 ( 0.000 -5.199 0.000) 5.199 6.971 ( 0.000 -8.726 0.000) 8.726 7.148 ( 0.000 -0.639 0.000) 0.639 7.267 ( 0.000 -2.813 0.000) 2.813 7.397 ( 0.000 0.527 0.000) 0.527 7.470 ( 0.000 12.050 0.000) 12.050 7.698 ( 0.000 2.155 0.000) 2.155 7.710 ( 0.000 -2.299 0.000) 2.299 7.843 ( 0.000 -0.113 0.000) 0.113 7.940 ( 0.000 1.140 0.000) 1.140 7.999 ( 0.000 3.569 0.000) 3.569 8.055 ( 0.000 8.329 0.000) 8.329 8.126 ( 0.000 0.234 0.000) 0.234 8.234 ( 0.000 0.450 0.000) 0.450 8.486 ( 0.000 3.628 0.000) 3.628 8.495 ( 0.000 2.103 0.000) 2.103 8.736 ( 0.000 -0.106 0.000) 0.106 8.966 ( 0.000 -0.562 0.000) 0.562 9.049 ( 0.000 -0.752 0.000) 0.752 9.346 ( 0.000 -0.911 0.000) 0.911 9.472 ( 0.000 -4.788 0.000) 4.788 9.665 ( 0.000 -0.510 0.000) 0.510 9.689 ( 0.000 -3.394 0.000) 3.394 9.777 ( 0.000 -0.860 0.000) 0.860 9.858 ( 0.000 -0.214 0.000) 0.214 9.929 ( 0.000 -2.652 0.000) 2.652 10.056 ( 0.000 -0.284 0.000) 0.284 10.067 ( 0.000 -0.009 0.000) 0.009 10.263 ( 0.000 0.240 0.000) 0.240 10.331 ( 0.000 -0.467 0.000) 0.467 10.608 ( 0.000 0.436 0.000) 0.436 10.737 ( 0.000 -7.994 0.000) 7.994 10.942 ( 0.000 -2.607 0.000) 2.607 11.057 ( 0.000 -3.713 0.000) 3.713 11.079 ( 0.000 -1.458 0.000) 1.458 11.114 ( 0.000 -0.149 0.000) 0.149 11.159 ( 0.000 -1.086 0.000) 1.086 11.161 ( 0.000 3.213 0.000) 3.213 11.225 ( 0.000 -5.278 0.000) 5.278 11.259 ( 0.000 -6.733 0.000) 6.733 11.370 ( 0.000 -2.091 0.000) 2.091 11.518 ( 0.000 0.670 0.000) 0.670 11.586 ( 0.000 -5.157 0.000) 5.157 11.970 ( 0.000 0.629 0.000) 0.629 12.037 ( 0.000 1.106 0.000) 1.106 12.041 ( 0.000 -1.043 0.000) 1.043 12.061 ( 0.000 -0.521 0.000) 0.521 12.140 ( 0.000 2.735 0.000) 2.735 12.191 ( 0.000 -1.802 0.000) 1.802 12.293 ( 0.000 -2.795 0.000) 2.795 12.447 ( 0.000 -1.057 0.000) 1.057 12.490 ( 0.000 8.677 0.000) 8.677 12.560 ( 0.000 1.084 0.000) 1.084 12.614 ( 0.000 -10.293 0.000) 10.293 12.655 ( 0.000 4.448 0.000) 4.448 12.887 ( 0.000 1.174 0.000) 1.174 12.915 ( 0.000 -3.459 0.000) 3.459 13.030 ( 0.000 2.689 0.000) 2.689 13.269 ( 0.000 -5.490 0.000) 5.490 13.299 ( 0.000 -1.407 0.000) 1.407 13.355 ( 0.000 4.592 0.000) 4.592 13.385 ( 0.000 2.560 0.000) 2.560 13.427 ( 0.000 -0.741 0.000) 0.741 13.523 ( 0.000 -1.955 0.000) 1.955 13.691 ( 0.000 -3.564 0.000) 3.564 13.846 ( 0.000 4.925 0.000) 4.925 13.932 ( 0.000 0.341 0.000) 0.341 14.005 ( 0.000 -6.434 0.000) 6.434 14.144 ( 0.000 0.794 0.000) 0.794 14.437 ( 0.000 2.912 0.000) 2.912 14.645 ( 0.000 -7.091 0.000) 7.091 14.728 ( 0.000 1.095 0.000) 1.095 15.100 ( 0.000 11.526 0.000) 11.526 15.336 ( 0.000 0.817 0.000) 0.817 15.476 ( 0.000 5.496 0.000) 5.496 15.528 ( 0.000 -2.922 0.000) 2.922 15.610 ( 0.000 3.517 0.000) 3.517 15.647 ( 0.000 -3.558 0.000) 3.558 15.755 ( 0.000 -0.392 0.000) 0.392 15.961 ( 0.000 -1.164 0.000) 1.164 16.353 ( 0.000 1.384 0.000) 1.384 16.410 ( 0.000 -0.313 0.000) 0.313 16.661 ( 0.000 -1.216 0.000) 1.216 16.817 ( 0.000 0.352 0.000) 0.352 16.864 ( 0.000 6.439 0.000) 6.439 17.006 ( 0.000 1.441 0.000) 1.441 17.190 ( 0.000 3.233 0.000) 3.233 17.222 ( 0.000 0.679 0.000) 0.679 17.385 ( 0.000 0.648 0.000) 0.648 17.587 ( 0.000 -0.821 0.000) 0.821 17.796 ( 0.000 -1.279 0.000) 1.279 17.917 ( 0.000 -0.564 0.000) 0.564 17.955 ( 0.000 -0.084 0.000) 0.084 18.066 ( 0.000 -2.238 0.000) 2.238 18.151 ( 0.000 1.624 0.000) 1.624 18.190 ( 0.000 -0.399 0.000) 0.399 18.330 ( 0.000 4.758 0.000) 4.758 18.336 ( 0.000 0.051 0.000) 0.051 18.581 ( 0.000 -0.170 0.000) 0.170 18.641 ( 0.000 -0.163 0.000) 0.163 18.682 ( 0.000 -1.167 0.000) 1.167 18.728 ( 0.000 -0.009 0.000) 0.009 18.871 ( 0.000 1.368 0.000) 1.368 19.087 ( 0.000 -0.721 0.000) 0.721 19.188 ( 0.000 0.038 0.000) 0.038 19.303 ( 0.000 -1.837 0.000) 1.837 19.305 ( 0.000 -0.775 0.000) 0.775 19.424 ( 0.000 3.585 0.000) 3.585 19.627 ( 0.000 0.357 0.000) 0.357 19.721 ( 0.000 0.127 0.000) 0.127 20.005 ( 0.000 0.238 0.000) 0.238 20.470 ( 0.000 1.619 0.000) 1.619 20.583 ( 0.000 -1.849 0.000) 1.849 20.632 ( 0.000 0.382 0.000) 0.382 20.720 ( 0.000 -1.001 0.000) 1.001 20.769 ( 0.000 0.634 0.000) 0.634 20.788 ( 0.000 0.614 0.000) 0.614 20.909 ( 0.000 -3.678 0.000) 3.678 20.989 ( 0.000 0.140 0.000) 0.140 21.029 ( 0.000 -0.288 0.000) 0.288 21.174 ( 0.000 1.548 0.000) 1.548 21.230 ( 0.000 -0.253 0.000) 0.253 21.916 ( 0.000 -0.110 0.000) 0.110 22.126 ( 0.000 0.328 0.000) 0.328 22.142 ( 0.000 0.695 0.000) 0.695 22.323 ( 0.000 0.690 0.000) 0.690 22.402 ( 0.000 0.874 0.000) 0.874 22.423 ( 0.000 -5.686 0.000) 5.686 22.785 ( 0.000 -0.422 0.000) 0.422 22.809 ( 0.000 -1.069 0.000) 1.069 22.994 ( 0.000 1.664 0.000) 1.664 23.027 ( 0.000 -2.127 0.000) 2.127 23.305 ( 0.000 0.462 0.000) 0.462 23.559 ( 0.000 0.690 0.000) 0.690 23.636 ( 0.000 -0.201 0.000) 0.201 23.700 ( 0.000 0.133 0.000) 0.133 23.737 ( 0.000 -1.426 0.000) 1.426 23.761 ( 0.000 1.900 0.000) 1.900 23.973 ( 0.000 0.466 0.000) 0.466 24.004 ( 0.000 0.118 0.000) 0.118 24.219 ( 0.000 0.298 0.000) 0.298 24.234 ( 0.000 -0.199 0.000) 0.199 24.336 ( 0.000 2.594 0.000) 2.594 24.392 ( 0.000 -0.320 0.000) 0.320 24.617 ( 0.000 0.569 0.000) 0.569 25.105 ( 0.000 -4.307 0.000) 4.307 25.137 ( 0.000 -5.496 0.000) 5.496 25.440 ( 0.000 0.657 0.000) 0.657 25.571 ( 0.000 0.582 0.000) 0.582 25.856 ( 0.000 1.097 0.000) 1.097 25.954 ( 0.000 -3.168 0.000) 3.168 25.968 ( 0.000 -1.580 0.000) 1.580 26.109 ( 0.000 0.053 0.000) 0.053 26.167 ( 0.000 -0.633 0.000) 0.633 26.284 ( 0.000 0.073 0.000) 0.073 27.296 ( 0.000 -0.028 0.000) 0.028 27.487 ( 0.000 -1.529 0.000) 1.529 27.616 ( 0.000 -1.476 0.000) 1.476 27.868 ( 0.000 0.181 0.000) 0.181 27.990 ( 0.000 -3.943 0.000) 3.943 28.251 ( 0.000 -1.026 0.000) 1.026 28.467 ( 0.000 -16.844 0.000) 16.844 28.490 ( 0.000 -1.533 0.000) 1.533 28.741 ( 0.000 -11.291 0.000) 11.291 28.779 ( 0.000 -0.431 0.000) 0.431 28.782 ( 0.000 -2.761 0.000) 2.761 28.830 ( 0.000 -4.278 0.000) 4.278 29.009 ( 0.000 -0.980 0.000) 0.980 29.590 ( 0.000 0.905 0.000) 0.905 29.703 ( 0.000 -7.754 0.000) 7.754 29.963 ( 0.000 -1.051 0.000) 1.051 30.015 ( 0.000 -5.612 0.000) 5.612 30.052 ( 0.000 -0.709 0.000) 0.709 30.642 ( 0.000 0.300 0.000) 0.300 30.687 ( 0.000 -1.811 0.000) 1.811 30.737 ( 0.000 -3.271 0.000) 3.271 30.744 ( 0.000 -1.445 0.000) 1.445 30.835 ( 0.000 -1.967 0.000) 1.967 30.989 ( 0.000 -1.332 0.000) 1.332 31.128 ( 0.000 1.883 0.000) 1.883 31.255 ( 0.000 -29.446 0.000) 29.446 31.635 ( 0.000 -14.105 0.000) 14.105 31.657 ( 0.000 -9.420 0.000) 9.420 31.675 ( 0.000 -3.172 0.000) 3.172 31.943 ( 0.000 -4.428 0.000) 4.428 31.980 ( 0.000 4.524 0.000) 4.524 32.184 ( 0.000 9.571 0.000) 9.571 32.304 ( 0.000 -18.590 0.000) 18.590 32.728 ( 0.000 -7.547 0.000) 7.547 32.746 ( 0.000 -15.856 0.000) 15.856 32.953 ( 0.000 25.954 0.000) 25.954 33.112 ( 0.000 3.394 0.000) 3.394 33.433 ( 0.000 14.801 0.000) 14.801 33.599 ( 0.000 -0.624 0.000) 0.624 33.664 ( 0.000 4.586 0.000) 4.586 34.238 ( 0.000 10.381 0.000) 10.381 34.620 ( 0.000 16.271 0.000) 16.271 38.813 ( 0.000 -20.354 0.000) 20.354 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.25 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 27.335 19.759 0.000) 33.728 1.055 ( 26.301 22.819 0.000) 34.820 1.624 ( 48.000 7.525 0.000) 48.586 1.949 ( 7.917 15.152 0.000) 17.095 2.132 ( -14.057 2.425 0.000) 14.264 2.570 ( -0.841 4.141 0.000) 4.226 2.642 ( -1.575 0.728 0.000) 1.735 2.697 ( -2.628 4.565 0.000) 5.267 2.761 ( 7.293 5.599 0.000) 9.195 2.962 ( 3.798 -0.028 0.000) 3.798 2.971 ( 3.997 -0.999 0.000) 4.120 3.073 ( -1.951 3.248 0.000) 3.788 3.110 ( 2.455 2.932 0.000) 3.824 3.146 ( 11.379 2.167 0.000) 11.583 3.211 ( -10.775 1.609 0.000) 10.895 3.286 ( 0.429 2.161 0.000) 2.203 3.392 ( -3.451 -1.891 0.000) 3.935 3.457 ( -5.341 0.001 0.000) 5.341 3.513 ( 0.857 -2.469 0.000) 2.614 3.565 ( -3.214 0.389 0.000) 3.237 3.585 ( -13.045 -2.712 0.000) 13.324 3.759 ( 0.771 -6.133 0.000) 6.182 3.799 ( -11.304 4.871 0.000) 12.309 4.063 ( -0.247 -1.682 0.000) 1.700 4.187 ( 5.743 -2.633 0.000) 6.318 4.248 ( -10.623 -2.126 0.000) 10.834 4.336 ( -11.661 3.126 0.000) 12.073 4.390 ( -4.003 -0.023 0.000) 4.003 4.653 ( 4.149 -2.528 0.000) 4.859 4.774 ( -2.455 -6.686 0.000) 7.123 4.965 ( -6.825 -4.198 0.000) 8.013 4.974 ( -7.437 -3.179 0.000) 8.087 5.275 ( 9.141 2.309 0.000) 9.428 5.409 ( 20.819 0.540 0.000) 20.826 5.635 ( -9.716 -0.070 0.000) 9.716 5.964 ( -7.516 -1.289 0.000) 7.626 6.255 ( 6.259 0.529 0.000) 6.281 6.412 ( 8.003 -3.449 0.000) 8.715 6.467 ( 0.778 -5.045 0.000) 5.105 6.581 ( 13.051 -4.421 0.000) 13.780 6.716 ( 0.990 1.929 0.000) 2.168 6.807 ( -9.311 -3.299 0.000) 9.878 6.922 ( 9.748 -0.727 0.000) 9.775 7.059 ( 14.599 -8.024 0.000) 16.659 7.142 ( -4.978 -5.709 0.000) 7.574 7.211 ( 5.306 -1.286 0.000) 5.459 7.493 ( 2.161 9.491 0.000) 9.734 7.527 ( 3.689 -6.052 0.000) 7.088 7.658 ( -3.065 1.655 0.000) 3.484 7.725 ( -16.806 -1.103 0.000) 16.842 7.802 ( 7.423 3.268 0.000) 8.110 7.869 ( -2.576 9.149 0.000) 9.504 7.888 ( 2.781 3.282 0.000) 4.302 7.993 ( -0.251 5.775 0.000) 5.781 8.119 ( -0.236 -1.076 0.000) 1.102 8.338 ( -12.654 4.802 0.000) 13.535 8.483 ( 10.239 0.624 0.000) 10.258 8.504 ( 2.138 2.758 0.000) 3.490 8.709 ( -16.984 14.900 0.000) 22.593 8.800 ( -12.669 -0.774 0.000) 12.693 8.986 ( 19.997 -0.299 0.000) 20.000 9.413 ( -24.639 -0.995 0.000) 24.659 9.499 ( -33.053 -4.588 0.000) 33.370 9.509 ( 6.317 -2.151 0.000) 6.673 9.573 ( -8.709 -0.374 0.000) 8.717 9.637 ( 3.641 -1.044 0.000) 3.788 9.650 ( 7.903 -1.255 0.000) 8.002 9.743 ( -6.278 -0.348 0.000) 6.288 10.112 ( 7.434 -0.166 0.000) 7.436 10.162 ( 9.460 0.613 0.000) 9.480 10.162 ( -4.448 1.665 0.000) 4.749 10.330 ( 4.785 -3.726 0.000) 6.064 10.536 ( -6.547 -4.253 0.000) 7.807 10.606 ( -10.268 0.744 0.000) 10.295 10.832 ( -8.761 -2.454 0.000) 9.099 10.893 ( -16.752 0.521 0.000) 16.760 11.105 ( 2.234 -2.678 0.000) 3.488 11.140 ( 7.075 -4.213 0.000) 8.235 11.186 ( 5.428 0.298 0.000) 5.436 11.224 ( -2.399 -5.717 0.000) 6.200 11.278 ( 3.765 -1.966 0.000) 4.247 11.328 ( -0.376 -1.281 0.000) 1.335 11.495 ( 8.264 5.561 0.000) 9.961 11.550 ( 16.527 -4.262 0.000) 17.068 11.682 ( 9.020 -1.189 0.000) 9.098 11.978 ( -4.265 -0.193 0.000) 4.270 12.018 ( -6.832 -0.208 0.000) 6.835 12.020 ( -3.014 -2.972 0.000) 4.233 12.108 ( 6.478 2.368 0.000) 6.897 12.149 ( -6.363 0.739 0.000) 6.405 12.169 ( 8.731 5.386 0.000) 10.259 12.265 ( -1.952 3.396 0.000) 3.917 12.297 ( -5.170 5.484 0.000) 7.537 12.434 ( -2.826 -2.080 0.000) 3.509 12.556 ( -22.006 -2.567 0.000) 22.155 12.582 ( 13.576 -3.006 0.000) 13.905 12.815 ( -3.306 3.808 0.000) 5.043 12.881 ( 11.113 5.790 0.000) 12.531 12.908 ( 4.004 -0.974 0.000) 4.121 13.004 ( -0.257 0.823 0.000) 0.863 13.172 ( 1.233 -6.120 0.000) 6.243 13.231 ( -10.503 0.660 0.000) 10.523 13.300 ( -0.646 -2.334 0.000) 2.422 13.462 ( 4.869 1.654 0.000) 5.142 13.472 ( -1.148 -0.200 0.000) 1.165 13.529 ( -2.394 4.039 0.000) 4.695 13.708 ( 0.490 -3.035 0.000) 3.074 13.931 ( 5.605 -4.934 0.000) 7.467 13.955 ( 11.231 0.637 0.000) 11.249 14.117 ( -2.940 -1.604 0.000) 3.349 14.216 ( 13.623 2.593 0.000) 13.867 14.467 ( 0.664 6.324 0.000) 6.359 14.716 ( -0.739 1.009 0.000) 1.251 14.785 ( 10.400 -3.769 0.000) 11.062 15.029 ( -5.897 8.650 0.000) 10.469 15.265 ( -3.662 -1.355 0.000) 3.905 15.355 ( -12.279 -2.475 0.000) 12.526 15.433 ( -1.464 5.063 0.000) 5.270 15.543 ( -9.082 -2.233 0.000) 9.353 15.658 ( 4.247 1.721 0.000) 4.583 15.761 ( 0.802 -1.263 0.000) 1.496 15.885 ( 0.665 2.321 0.000) 2.414 16.080 ( -25.937 -0.228 0.000) 25.938 16.312 ( -26.914 0.945 0.000) 26.931 16.768 ( 21.848 -1.938 0.000) 21.934 16.794 ( 9.963 -1.428 0.000) 10.065 16.991 ( 12.666 5.859 0.000) 13.956 17.071 ( 1.020 1.507 0.000) 1.820 17.299 ( 4.064 0.601 0.000) 4.108 17.438 ( 4.126 0.204 0.000) 4.131 17.526 ( 13.970 0.648 0.000) 13.985 17.564 ( -2.310 0.600 0.000) 2.387 17.626 ( -12.551 -0.424 0.000) 12.558 17.886 ( -17.093 2.510 0.000) 17.276 18.000 ( 10.101 -0.056 0.000) 10.101 18.042 ( -0.644 -1.365 0.000) 1.509 18.152 ( -3.680 -0.430 0.000) 3.705 18.282 ( -1.683 3.526 0.000) 3.907 18.388 ( 8.869 -14.789 0.000) 17.244 18.447 ( 5.151 0.165 0.000) 5.154 18.574 ( -0.488 -0.252 0.000) 0.549 18.629 ( -2.857 0.029 0.000) 2.857 18.631 ( -4.432 -1.712 0.000) 4.751 18.745 ( -9.679 0.577 0.000) 9.696 18.854 ( 10.762 -1.677 0.000) 10.891 19.107 ( 0.599 -0.518 0.000) 0.791 19.288 ( -0.407 -1.163 0.000) 1.232 19.328 ( -0.061 -1.332 0.000) 1.334 19.391 ( 15.025 0.906 0.000) 15.052 19.569 ( 11.087 1.364 0.000) 11.171 19.787 ( 14.282 0.715 0.000) 14.300 19.806 ( 8.119 0.832 0.000) 8.162 19.997 ( -0.412 0.386 0.000) 0.565 20.339 ( -11.356 1.497 0.000) 11.454 20.453 ( -7.551 0.291 0.000) 7.557 20.618 ( 1.404 -1.329 0.000) 1.934 20.685 ( 8.039 0.449 0.000) 8.052 20.824 ( 2.154 -0.742 0.000) 2.278 20.853 ( -1.320 -4.419 0.000) 4.612 20.904 ( -8.602 -4.568 0.000) 9.740 21.030 ( -11.514 0.185 0.000) 11.516 21.074 ( 2.897 -0.697 0.000) 2.979 21.136 ( 5.575 -1.425 0.000) 5.754 21.190 ( -1.338 1.183 0.000) 1.786 21.865 ( -16.303 0.906 0.000) 16.329 21.866 ( -19.266 0.656 0.000) 19.277 22.148 ( 18.712 -1.711 0.000) 18.790 22.223 ( -1.413 -1.343 0.000) 1.949 22.617 ( 17.872 0.731 0.000) 17.887 22.662 ( 8.857 -2.325 0.000) 9.157 22.827 ( -0.986 -0.579 0.000) 1.143 22.835 ( 2.927 -0.844 0.000) 3.047 22.881 ( -7.252 1.429 0.000) 7.391 23.158 ( 8.849 -3.323 0.000) 9.452 23.224 ( -7.861 0.640 0.000) 7.887 23.528 ( -8.296 -1.197 0.000) 8.382 23.559 ( -6.668 -0.055 0.000) 6.668 23.605 ( -1.503 -0.238 0.000) 1.521 23.656 ( -7.199 0.830 0.000) 7.247 23.822 ( -13.097 -0.762 0.000) 13.119 23.892 ( 5.821 -2.667 0.000) 6.403 24.057 ( 6.366 0.729 0.000) 6.407 24.182 ( -6.916 0.142 0.000) 6.917 24.253 ( -3.993 2.160 0.000) 4.540 24.534 ( 13.855 -0.452 0.000) 13.863 24.905 ( 22.269 0.670 0.000) 22.279 25.141 ( -17.184 -0.104 0.000) 17.184 25.241 ( 9.958 -4.908 0.000) 11.102 25.377 ( 23.847 -3.984 0.000) 24.178 25.545 ( -3.829 0.673 0.000) 3.888 25.637 ( 21.158 -30.049 0.000) 36.750 25.773 ( -7.051 0.680 0.000) 7.083 25.898 ( -0.163 -3.521 0.000) 3.525 26.122 ( 0.757 -0.085 0.000) 0.762 26.285 ( 14.894 -9.314 0.000) 17.566 26.361 ( 49.054 -28.765 0.000) 56.866 26.750 ( 56.979 -34.374 0.000) 66.544 27.114 ( -33.946 -3.809 0.000) 34.159 27.317 ( 0.109 -0.167 0.000) 0.199 27.524 ( 7.634 -10.198 0.000) 12.739 27.913 ( 4.515 -0.049 0.000) 4.515 28.048 ( -28.761 -6.743 0.000) 29.540 28.138 ( -10.702 -1.239 0.000) 10.774 28.345 ( 4.998 -4.982 0.000) 7.057 28.408 ( 5.375 -2.272 0.000) 5.836 28.570 ( -8.065 -3.395 0.000) 8.750 28.699 ( 1.566 -23.399 0.000) 23.451 28.926 ( -7.416 -1.264 0.000) 7.523 29.066 ( 14.761 -1.627 0.000) 14.851 29.135 ( 14.343 -12.671 0.000) 19.138 29.571 ( -9.381 -3.309 0.000) 9.947 29.705 ( 9.547 0.343 0.000) 9.553 29.837 ( -16.086 -5.723 0.000) 17.074 30.032 ( -2.937 -0.776 0.000) 3.037 30.140 ( 13.604 -1.953 0.000) 13.743 30.576 ( -7.675 -1.374 0.000) 7.797 30.626 ( -1.223 -0.100 0.000) 1.227 30.717 ( -6.305 -2.157 0.000) 6.664 30.799 ( 5.920 -4.536 0.000) 7.457 30.878 ( 6.770 -4.378 0.000) 8.063 31.018 ( 1.637 -1.430 0.000) 2.174 31.213 ( 6.375 1.033 0.000) 6.458 31.217 ( -4.151 -24.797 0.000) 25.142 31.485 ( -8.330 -2.688 0.000) 8.752 31.680 ( 1.959 -15.812 0.000) 15.932 31.755 ( 1.138 -15.217 0.000) 15.259 31.968 ( 2.974 2.957 0.000) 4.194 32.034 ( 5.427 -3.424 0.000) 6.417 32.135 ( -3.265 7.547 0.000) 8.223 32.290 ( -3.238 -17.176 0.000) 17.479 32.728 ( -1.813 -15.466 0.000) 15.572 32.729 ( -4.199 0.149 0.000) 4.202 32.869 ( 2.964 5.488 0.000) 6.237 33.094 ( -2.306 3.317 0.000) 4.040 33.629 ( 2.693 2.193 0.000) 3.473 33.643 ( 5.652 9.593 0.000) 11.134 33.739 ( 13.783 20.525 0.000) 24.723 34.152 ( -7.753 11.019 0.000) 13.473 34.737 ( 15.459 25.689 0.000) 29.981 37.046 (-112.114 76.922 0.000) 135.965 ======================= Grid point 7 (6/54) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -3.165 11.300 0.000) 11.735 1.461 ( 3.165 11.300 0.000) 11.735 1.707 ( -12.421 8.062 0.000) 14.808 1.707 ( 12.421 8.062 0.000) 14.808 2.626 ( -0.262 3.476 0.000) 3.486 2.626 ( 0.262 3.476 0.000) 3.486 2.759 ( -1.907 5.206 0.000) 5.545 2.759 ( 1.907 5.206 0.000) 5.545 2.875 ( -21.887 0.376 0.000) 21.890 2.875 ( 21.887 0.376 0.000) 21.890 3.027 ( -0.003 1.741 0.000) 1.741 3.027 ( 0.003 1.741 0.000) 1.741 3.082 ( -16.437 2.761 0.000) 16.667 3.082 ( 16.437 2.761 0.000) 16.667 3.258 ( -3.818 1.120 0.000) 3.979 3.258 ( 3.818 1.120 0.000) 3.979 3.319 ( -4.937 6.458 0.000) 8.129 3.319 ( 4.937 6.458 0.000) 8.129 3.413 ( -4.942 -1.488 0.000) 5.161 3.413 ( 4.942 -1.488 0.000) 5.161 3.617 ( -2.928 2.212 0.000) 3.669 3.617 ( 2.928 2.212 0.000) 3.669 3.819 ( -1.879 -6.000 0.000) 6.288 3.819 ( 1.879 -6.000 0.000) 6.288 4.247 ( -0.182 -3.064 0.000) 3.069 4.247 ( 0.182 -3.064 0.000) 3.069 4.329 ( -0.889 1.197 0.000) 1.491 4.329 ( 0.889 1.197 0.000) 1.491 4.721 ( -1.804 -4.648 0.000) 4.986 4.721 ( 1.804 -4.648 0.000) 4.986 4.878 ( -0.004 -2.466 0.000) 2.466 4.878 ( 0.004 -2.466 0.000) 2.466 5.447 ( -5.698 0.032 0.000) 5.698 5.447 ( 5.698 0.032 0.000) 5.698 5.753 ( -13.276 -0.784 0.000) 13.299 5.753 ( 13.276 -0.784 0.000) 13.299 6.410 ( -3.894 1.085 0.000) 4.042 6.410 ( 3.894 1.085 0.000) 4.042 6.564 ( -8.245 -5.854 0.000) 10.112 6.564 ( 8.245 -5.854 0.000) 10.112 6.715 ( -0.030 -1.338 0.000) 1.339 6.715 ( 0.030 -1.338 0.000) 1.339 7.106 ( -6.716 2.963 0.000) 7.341 7.106 ( 6.716 2.963 0.000) 7.341 7.308 ( -1.573 -6.137 0.000) 6.336 7.308 ( 1.573 -6.137 0.000) 6.336 7.434 ( -2.400 -2.040 0.000) 3.150 7.434 ( 2.400 -2.040 0.000) 3.150 7.669 ( -0.162 1.460 0.000) 1.469 7.669 ( 0.162 1.460 0.000) 1.469 7.821 ( -3.892 11.741 0.000) 12.369 7.821 ( 3.892 11.741 0.000) 12.369 8.018 ( -1.966 3.461 0.000) 3.980 8.018 ( 1.966 3.461 0.000) 3.980 8.133 ( -3.615 1.442 0.000) 3.892 8.133 ( 3.615 1.442 0.000) 3.892 8.564 ( -0.420 1.017 0.000) 1.100 8.564 ( 0.420 1.017 0.000) 1.100 8.672 ( -4.962 -4.023 0.000) 6.388 8.672 ( 4.962 -4.023 0.000) 6.388 8.969 ( -6.124 0.123 0.000) 6.125 8.969 ( 6.124 0.123 0.000) 6.125 9.353 ( -14.508 -0.434 0.000) 14.515 9.353 ( 14.508 -0.434 0.000) 14.515 9.578 ( -2.904 0.727 0.000) 2.994 9.578 ( 2.904 0.727 0.000) 2.994 9.899 ( -2.536 -0.997 0.000) 2.725 9.899 ( 2.536 -0.997 0.000) 2.725 10.091 ( -17.156 -5.001 0.000) 17.870 10.091 ( 17.156 -5.001 0.000) 17.870 10.292 ( -0.422 1.057 0.000) 1.138 10.292 ( 0.422 1.057 0.000) 1.138 10.578 ( -9.688 -1.087 0.000) 9.748 10.578 ( 9.688 -1.087 0.000) 9.748 10.651 ( -11.893 -1.608 0.000) 12.001 10.651 ( 11.893 -1.608 0.000) 12.001 11.161 ( -0.323 -4.124 0.000) 4.136 11.161 ( 0.323 -4.124 0.000) 4.136 11.253 ( -1.305 -1.555 0.000) 2.030 11.253 ( 1.305 -1.555 0.000) 2.030 11.294 ( -0.171 -2.452 0.000) 2.458 11.294 ( 0.171 -2.452 0.000) 2.458 11.748 ( -11.621 3.795 0.000) 12.225 11.748 ( 11.621 3.795 0.000) 12.225 11.792 ( -0.828 -7.231 0.000) 7.278 11.792 ( 0.828 -7.231 0.000) 7.278 11.933 ( -0.125 -0.940 0.000) 0.948 11.933 ( 0.125 -0.940 0.000) 0.948 12.122 ( -1.443 3.687 0.000) 3.959 12.122 ( 1.443 3.687 0.000) 3.959 12.254 ( -0.140 2.347 0.000) 2.351 12.254 ( 0.140 2.347 0.000) 2.351 12.310 ( -7.868 3.071 0.000) 8.446 12.310 ( 7.868 3.071 0.000) 8.446 12.535 ( -15.367 3.185 0.000) 15.693 12.535 ( 15.367 3.185 0.000) 15.693 12.870 ( -3.205 -0.739 0.000) 3.289 12.870 ( 3.205 -0.739 0.000) 3.289 13.049 ( -0.461 -1.531 0.000) 1.599 13.049 ( 0.461 -1.531 0.000) 1.599 13.176 ( -0.523 -0.450 0.000) 0.689 13.176 ( 0.523 -0.450 0.000) 0.689 13.281 ( -3.725 -3.024 0.000) 4.798 13.281 ( 3.725 -3.024 0.000) 4.798 13.506 ( -0.019 5.800 0.000) 5.800 13.506 ( 0.019 5.800 0.000) 5.800 13.895 ( -7.841 -2.306 0.000) 8.173 13.895 ( 7.841 -2.306 0.000) 8.173 14.124 ( -5.217 -5.239 0.000) 7.394 14.124 ( 5.217 -5.239 0.000) 7.394 14.386 ( -5.173 7.849 0.000) 9.401 14.386 ( 5.173 7.849 0.000) 9.401 14.767 ( -2.797 5.026 0.000) 5.751 14.767 ( 2.797 5.026 0.000) 5.751 15.163 ( -9.153 -3.211 0.000) 9.699 15.163 ( 9.153 -3.211 0.000) 9.699 15.336 ( -6.927 -0.214 0.000) 6.930 15.336 ( 6.927 -0.214 0.000) 6.930 15.542 ( -13.894 -0.893 0.000) 13.923 15.542 ( 13.894 -0.893 0.000) 13.923 15.768 ( -0.309 -0.316 0.000) 0.442 15.768 ( 0.309 -0.316 0.000) 0.442 15.954 ( -7.326 3.266 0.000) 8.021 15.954 ( 7.326 3.266 0.000) 8.021 16.968 ( -1.988 -1.824 0.000) 2.698 16.968 ( 1.988 -1.824 0.000) 2.698 17.192 ( -7.998 0.393 0.000) 8.008 17.192 ( 7.998 0.393 0.000) 8.008 17.313 ( -12.333 3.601 0.000) 12.848 17.313 ( 12.333 3.601 0.000) 12.848 17.473 ( -0.046 0.242 0.000) 0.246 17.473 ( 0.046 0.242 0.000) 0.246 17.715 ( -4.162 1.445 0.000) 4.406 17.715 ( 4.162 1.445 0.000) 4.406 18.061 ( -1.657 -1.358 0.000) 2.143 18.061 ( 1.657 -1.358 0.000) 2.143 18.229 ( -7.335 2.508 0.000) 7.752 18.229 ( 7.335 2.508 0.000) 7.752 18.469 ( -0.427 -4.566 0.000) 4.586 18.469 ( 0.427 -4.566 0.000) 4.586 18.569 ( -0.041 -0.483 0.000) 0.485 18.569 ( 0.041 -0.483 0.000) 0.485 18.594 ( -0.323 -0.171 0.000) 0.366 18.594 ( 0.323 -0.171 0.000) 0.366 19.036 ( -5.157 -0.590 0.000) 5.190 19.036 ( 5.157 -0.590 0.000) 5.190 19.302 ( -1.631 -0.778 0.000) 1.807 19.302 ( 1.631 -0.778 0.000) 1.807 19.640 ( -6.007 0.562 0.000) 6.034 19.640 ( 6.007 0.562 0.000) 6.034 19.944 ( -1.405 0.451 0.000) 1.475 19.944 ( 1.405 0.451 0.000) 1.475 20.106 ( -11.456 1.495 0.000) 11.553 20.106 ( 11.456 1.495 0.000) 11.553 20.494 ( -9.559 -0.083 0.000) 9.560 20.494 ( 9.559 -0.083 0.000) 9.560 20.813 ( -0.185 -4.931 0.000) 4.935 20.813 ( 0.185 -4.931 0.000) 4.935 20.848 ( -2.727 -0.603 0.000) 2.793 20.848 ( 2.727 -0.603 0.000) 2.793 20.964 ( -11.838 0.750 0.000) 11.862 20.964 ( 11.838 0.750 0.000) 11.862 21.176 ( -5.701 -1.367 0.000) 5.863 21.176 ( 5.701 -1.367 0.000) 5.863 21.654 ( -0.262 1.172 0.000) 1.201 21.654 ( 0.262 1.172 0.000) 1.201 22.346 ( -4.151 -0.835 0.000) 4.234 22.346 ( 4.151 -0.835 0.000) 4.234 22.700 ( -0.399 -1.162 0.000) 1.229 22.700 ( 0.399 -1.162 0.000) 1.229 22.851 ( -2.792 0.083 0.000) 2.793 22.851 ( 2.792 0.083 0.000) 2.793 22.995 ( -13.492 0.575 0.000) 13.504 22.995 ( 13.492 0.575 0.000) 13.504 23.330 ( -8.031 -2.787 0.000) 8.501 23.330 ( 8.031 -2.787 0.000) 8.501 23.546 ( -1.655 0.617 0.000) 1.766 23.546 ( 1.655 0.617 0.000) 1.766 23.630 ( -4.632 -0.748 0.000) 4.692 23.630 ( 4.632 -0.748 0.000) 4.692 24.016 ( -5.986 -1.031 0.000) 6.074 24.016 ( 5.986 -1.031 0.000) 6.074 24.176 ( -2.527 1.774 0.000) 3.087 24.176 ( 2.527 1.774 0.000) 3.087 24.823 ( -15.013 0.265 0.000) 15.016 24.823 ( 15.013 0.265 0.000) 15.016 25.325 ( -14.842 0.251 0.000) 14.844 25.325 ( 14.842 0.251 0.000) 14.844 25.500 ( -10.436 -5.019 0.000) 11.580 25.500 ( 10.436 -5.019 0.000) 11.580 25.663 ( -4.712 0.165 0.000) 4.715 25.663 ( 4.712 0.165 0.000) 4.715 26.076 ( -8.127 -2.177 0.000) 8.414 26.076 ( 8.127 -2.177 0.000) 8.414 26.482 ( -23.222 -3.922 0.000) 23.550 26.482 ( 23.222 -3.922 0.000) 23.550 27.269 ( -19.215 -7.968 0.000) 20.801 27.269 ( 19.215 -7.968 0.000) 20.801 27.341 ( -2.881 -2.030 0.000) 3.524 27.341 ( 2.881 -2.030 0.000) 3.524 27.990 ( -5.782 -8.921 0.000) 10.631 27.990 ( 5.782 -8.921 0.000) 10.631 28.177 ( -14.619 -40.052 0.000) 42.637 28.177 ( 14.619 -40.052 0.000) 42.637 28.504 ( -3.733 -17.060 0.000) 17.463 28.504 ( 3.733 -17.060 0.000) 17.463 28.728 ( -4.690 -5.907 0.000) 7.542 28.728 ( 4.690 -5.907 0.000) 7.542 29.343 ( -11.897 -2.089 0.000) 12.079 29.343 ( 11.897 -2.089 0.000) 12.079 29.473 ( -18.438 -7.096 0.000) 19.756 29.473 ( 18.438 -7.096 0.000) 19.756 29.911 ( -9.255 -0.734 0.000) 9.284 29.911 ( 9.255 -0.734 0.000) 9.284 30.394 ( -11.259 -0.985 0.000) 11.302 30.394 ( 11.259 -0.985 0.000) 11.302 30.626 ( -0.921 -0.743 0.000) 1.184 30.626 ( 0.921 -0.743 0.000) 1.184 30.924 ( -1.839 -7.128 0.000) 7.361 30.924 ( 1.839 -7.128 0.000) 7.361 31.092 ( -7.309 -10.721 0.000) 12.976 31.092 ( 7.309 -10.721 0.000) 12.976 31.340 ( -2.640 -0.010 0.000) 2.640 31.340 ( 2.640 -0.010 0.000) 2.640 31.726 ( -2.669 -18.762 0.000) 18.951 31.726 ( 2.669 -18.762 0.000) 18.951 32.055 ( -1.181 6.565 0.000) 6.670 32.055 ( 1.181 6.565 0.000) 6.670 32.173 ( -5.489 -12.272 0.000) 13.443 32.173 ( 5.489 -12.272 0.000) 13.443 32.688 ( -0.106 -10.774 0.000) 10.775 32.688 ( 0.106 -10.774 0.000) 10.775 33.002 ( -2.477 3.114 0.000) 3.979 33.002 ( 2.477 3.114 0.000) 3.979 33.673 ( -0.022 6.430 0.000) 6.430 33.673 ( 0.022 6.430 0.000) 6.430 33.982 ( -1.579 15.839 0.000) 15.918 33.982 ( 1.579 15.839 0.000) 15.918 35.410 ( -51.594 62.957 0.000) 81.397 35.410 ( 51.594 62.957 0.000) 81.397 ======================= Grid point 10 (7/54) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.199 ( 0.000 28.032 0.000) 28.032 1.271 ( 0.000 29.440 0.000) 29.440 1.659 ( 0.000 40.150 0.000) 40.150 2.241 ( 0.000 15.754 0.000) 15.754 2.323 ( 0.000 3.420 0.000) 3.420 2.588 ( 0.000 -4.989 0.000) 4.989 2.706 ( 0.000 4.154 0.000) 4.154 2.788 ( 0.000 6.609 0.000) 6.609 2.916 ( 0.000 10.483 0.000) 10.483 2.930 ( 0.000 2.149 0.000) 2.149 2.971 ( 0.000 3.042 0.000) 3.042 3.059 ( 0.000 7.180 0.000) 7.180 3.119 ( 0.000 1.452 0.000) 1.452 3.195 ( 0.000 5.339 0.000) 5.339 3.330 ( 0.000 2.410 0.000) 2.410 3.366 ( 0.000 -4.302 0.000) 4.302 3.386 ( 0.000 -1.121 0.000) 1.121 3.405 ( 0.000 -2.658 0.000) 2.658 3.495 ( 0.000 -0.364 0.000) 0.364 3.582 ( 0.000 -0.938 0.000) 0.938 3.611 ( 0.000 -3.839 0.000) 3.839 3.628 ( 0.000 -6.088 0.000) 6.088 3.931 ( 0.000 -2.881 0.000) 2.881 4.014 ( 0.000 2.794 0.000) 2.794 4.059 ( 0.000 -3.046 0.000) 3.046 4.375 ( 0.000 4.391 0.000) 4.391 4.429 ( 0.000 -2.121 0.000) 2.121 4.514 ( 0.000 -5.085 0.000) 5.085 4.592 ( 0.000 -9.775 0.000) 9.775 4.748 ( 0.000 -7.904 0.000) 7.904 4.904 ( 0.000 1.486 0.000) 1.486 4.961 ( 0.000 -6.895 0.000) 6.895 5.143 ( 0.000 0.588 0.000) 0.588 5.198 ( 0.000 1.572 0.000) 1.572 5.752 ( 0.000 -0.007 0.000) 0.007 6.001 ( 0.000 -2.688 0.000) 2.688 6.066 ( 0.000 -4.731 0.000) 4.731 6.200 ( 0.000 -0.457 0.000) 0.457 6.435 ( 0.000 -1.219 0.000) 1.219 6.511 ( 0.000 1.330 0.000) 1.330 6.561 ( 0.000 -10.047 0.000) 10.047 6.727 ( 0.000 1.175 0.000) 1.175 6.769 ( 0.000 -10.940 0.000) 10.940 6.828 ( 0.000 -4.044 0.000) 4.044 7.129 ( 0.000 -1.325 0.000) 1.325 7.197 ( 0.000 -4.323 0.000) 4.323 7.417 ( 0.000 1.598 0.000) 1.598 7.641 ( 0.000 3.024 0.000) 3.024 7.652 ( 0.000 -3.120 0.000) 3.120 7.734 ( 0.000 0.834 0.000) 0.834 7.855 ( 0.000 1.192 0.000) 1.192 7.947 ( 0.000 0.804 0.000) 0.804 8.066 ( 0.000 3.400 0.000) 3.400 8.169 ( 0.000 4.483 0.000) 4.483 8.246 ( 0.000 0.685 0.000) 0.685 8.261 ( 0.000 10.183 0.000) 10.183 8.533 ( 0.000 1.560 0.000) 1.560 8.565 ( 0.000 3.594 0.000) 3.594 8.734 ( 0.000 -0.102 0.000) 0.102 8.951 ( 0.000 -0.836 0.000) 0.836 9.042 ( 0.000 0.277 0.000) 0.277 9.291 ( 0.000 -14.407 0.000) 14.407 9.319 ( 0.000 -1.846 0.000) 1.846 9.612 ( 0.000 -4.037 0.000) 4.037 9.661 ( 0.000 0.555 0.000) 0.555 9.748 ( 0.000 -2.141 0.000) 2.141 9.852 ( 0.000 -0.359 0.000) 0.359 9.860 ( 0.000 -3.849 0.000) 3.849 10.035 ( 0.000 -1.446 0.000) 1.446 10.082 ( 0.000 1.155 0.000) 1.155 10.256 ( 0.000 -1.338 0.000) 1.338 10.321 ( 0.000 -0.589 0.000) 0.589 10.551 ( 0.000 -9.754 0.000) 9.754 10.599 ( 0.000 -1.621 0.000) 1.621 10.879 ( 0.000 -3.604 0.000) 3.604 10.957 ( 0.000 -6.115 0.000) 6.115 11.050 ( 0.000 -1.392 0.000) 1.392 11.113 ( 0.000 0.089 0.000) 0.089 11.114 ( 0.000 -4.917 0.000) 4.917 11.116 ( 0.000 -7.233 0.000) 7.233 11.135 ( 0.000 -1.007 0.000) 1.007 11.234 ( 0.000 3.979 0.000) 3.979 11.292 ( 0.000 -5.428 0.000) 5.428 11.454 ( 0.000 -7.235 0.000) 7.235 11.511 ( 0.000 -1.834 0.000) 1.834 11.993 ( 0.000 1.451 0.000) 1.451 12.010 ( 0.000 -1.548 0.000) 1.548 12.017 ( 0.000 -4.059 0.000) 4.059 12.074 ( 0.000 2.632 0.000) 2.632 12.189 ( 0.000 0.725 0.000) 0.725 12.206 ( 0.000 3.550 0.000) 3.550 12.237 ( 0.000 -1.355 0.000) 1.355 12.407 ( 0.000 -9.731 0.000) 9.731 12.484 ( 0.000 3.412 0.000) 3.412 12.596 ( 0.000 2.699 0.000) 2.699 12.654 ( 0.000 7.421 0.000) 7.421 12.714 ( 0.000 1.502 0.000) 1.502 12.839 ( 0.000 -3.706 0.000) 3.706 12.917 ( 0.000 1.725 0.000) 1.725 13.041 ( 0.000 -1.662 0.000) 1.662 13.139 ( 0.000 -7.062 0.000) 7.062 13.259 ( 0.000 -2.460 0.000) 2.460 13.380 ( 0.000 -4.217 0.000) 4.217 13.449 ( 0.000 3.632 0.000) 3.632 13.457 ( 0.000 4.612 0.000) 4.612 13.488 ( 0.000 -1.677 0.000) 1.677 13.601 ( 0.000 -4.453 0.000) 4.453 13.866 ( 0.000 -6.461 0.000) 6.461 13.932 ( 0.000 -0.432 0.000) 0.432 13.959 ( 0.000 6.113 0.000) 6.113 14.166 ( 0.000 1.341 0.000) 1.341 14.503 ( 0.000 3.289 0.000) 3.289 14.547 ( 0.000 -2.733 0.000) 2.733 14.761 ( 0.000 2.264 0.000) 2.264 15.326 ( 0.000 10.853 0.000) 10.853 15.356 ( 0.000 1.084 0.000) 1.084 15.453 ( 0.000 -4.376 0.000) 4.376 15.570 ( 0.000 -4.130 0.000) 4.130 15.604 ( 0.000 6.662 0.000) 6.662 15.692 ( 0.000 4.374 0.000) 4.374 15.723 ( 0.000 -2.592 0.000) 2.592 15.934 ( 0.000 -1.540 0.000) 1.540 16.390 ( 0.000 2.311 0.000) 2.311 16.402 ( 0.000 -0.512 0.000) 0.512 16.627 ( 0.000 -2.153 0.000) 2.153 16.826 ( 0.000 0.569 0.000) 0.569 17.017 ( 0.000 8.079 0.000) 8.079 17.046 ( 0.000 2.445 0.000) 2.445 17.243 ( 0.000 1.495 0.000) 1.495 17.267 ( 0.000 4.127 0.000) 4.127 17.402 ( 0.000 0.956 0.000) 0.956 17.565 ( 0.000 -1.322 0.000) 1.322 17.764 ( 0.000 -1.691 0.000) 1.691 17.902 ( 0.000 -0.884 0.000) 0.884 17.953 ( 0.000 -0.158 0.000) 0.158 18.032 ( 0.000 -1.206 0.000) 1.206 18.179 ( 0.000 -0.591 0.000) 0.591 18.191 ( 0.000 2.203 0.000) 2.203 18.337 ( 0.000 0.130 0.000) 0.130 18.428 ( 0.000 4.710 0.000) 4.710 18.576 ( 0.000 -0.260 0.000) 0.260 18.636 ( 0.000 -0.274 0.000) 0.274 18.656 ( 0.000 -1.281 0.000) 1.281 18.728 ( 0.000 0.009 0.000) 0.009 18.902 ( 0.000 1.627 0.000) 1.627 19.069 ( 0.000 -0.958 0.000) 0.958 19.188 ( 0.000 -0.049 0.000) 0.049 19.273 ( 0.000 -1.222 0.000) 1.222 19.285 ( 0.000 -1.218 0.000) 1.218 19.498 ( 0.000 3.744 0.000) 3.744 19.636 ( 0.000 0.610 0.000) 0.610 19.725 ( 0.000 0.191 0.000) 0.191 20.011 ( 0.000 0.395 0.000) 0.395 20.515 ( 0.000 2.910 0.000) 2.910 20.545 ( 0.000 -1.862 0.000) 1.862 20.630 ( 0.000 -0.507 0.000) 0.507 20.691 ( 0.000 -2.012 0.000) 2.012 20.787 ( 0.000 1.082 0.000) 1.082 20.805 ( 0.000 1.122 0.000) 1.122 20.821 ( 0.000 -4.693 0.000) 4.693 20.994 ( 0.000 0.404 0.000) 0.404 21.019 ( 0.000 -0.811 0.000) 0.811 21.211 ( 0.000 2.007 0.000) 2.007 21.221 ( 0.000 -0.781 0.000) 0.781 21.912 ( 0.000 -0.196 0.000) 0.196 22.135 ( 0.000 0.540 0.000) 0.540 22.158 ( 0.000 0.635 0.000) 0.635 22.285 ( 0.000 -7.159 0.000) 7.159 22.344 ( 0.000 1.406 0.000) 1.406 22.428 ( 0.000 1.709 0.000) 1.709 22.780 ( 0.000 0.031 0.000) 0.031 22.780 ( 0.000 -1.702 0.000) 1.702 22.972 ( 0.000 -3.255 0.000) 3.255 23.036 ( 0.000 2.457 0.000) 2.457 23.321 ( 0.000 1.120 0.000) 1.120 23.581 ( 0.000 1.554 0.000) 1.554 23.633 ( 0.000 -0.025 0.000) 0.025 23.704 ( 0.000 0.263 0.000) 0.263 23.706 ( 0.000 -1.415 0.000) 1.415 23.817 ( 0.000 3.791 0.000) 3.791 23.988 ( 0.000 1.066 0.000) 1.066 24.007 ( 0.000 0.179 0.000) 0.179 24.226 ( 0.000 0.424 0.000) 0.424 24.229 ( 0.000 -0.233 0.000) 0.233 24.384 ( 0.000 -0.413 0.000) 0.413 24.401 ( 0.000 3.561 0.000) 3.561 24.633 ( 0.000 0.974 0.000) 0.974 24.994 ( 0.000 -6.303 0.000) 6.303 25.004 ( 0.000 -7.205 0.000) 7.205 25.459 ( 0.000 1.253 0.000) 1.253 25.583 ( 0.000 0.586 0.000) 0.586 25.858 ( 0.000 -5.156 0.000) 5.156 25.884 ( 0.000 1.684 0.000) 1.684 25.950 ( 0.000 -1.019 0.000) 1.019 26.110 ( 0.000 0.092 0.000) 0.092 26.150 ( 0.000 -1.093 0.000) 1.093 26.286 ( 0.000 0.113 0.000) 0.113 27.293 ( 0.000 -0.276 0.000) 0.276 27.455 ( 0.000 -1.416 0.000) 1.416 27.576 ( 0.000 -2.392 0.000) 2.392 27.872 ( 0.000 0.204 0.000) 0.204 27.884 ( 0.000 -6.415 0.000) 6.415 28.098 ( 0.000 -18.351 0.000) 18.351 28.199 ( 0.000 -6.284 0.000) 6.284 28.394 ( 0.000 -9.293 0.000) 9.293 28.529 ( 0.000 -5.351 0.000) 5.351 28.691 ( 0.000 -9.754 0.000) 9.754 28.705 ( 0.000 -4.767 0.000) 4.767 28.767 ( 0.000 -0.729 0.000) 0.729 28.986 ( 0.000 -1.262 0.000) 1.262 29.514 ( 0.000 -8.150 0.000) 8.150 29.618 ( 0.000 0.078 0.000) 0.078 29.872 ( 0.000 -8.144 0.000) 8.144 29.935 ( 0.000 -1.596 0.000) 1.596 30.033 ( 0.000 -1.147 0.000) 1.147 30.643 ( 0.000 -0.658 0.000) 0.658 30.647 ( 0.000 -2.057 0.000) 2.057 30.662 ( 0.000 -3.533 0.000) 3.533 30.683 ( 0.000 -4.931 0.000) 4.931 30.754 ( 0.000 -19.892 0.000) 19.892 30.794 ( 0.000 -1.598 0.000) 1.598 30.959 ( 0.000 -1.562 0.000) 1.562 31.166 ( 0.000 1.637 0.000) 1.637 31.371 ( 0.000 -11.914 0.000) 11.914 31.471 ( 0.000 -8.921 0.000) 8.921 31.596 ( 0.000 -4.315 0.000) 4.315 31.843 ( 0.000 -5.095 0.000) 5.095 31.977 ( 0.000 -13.763 0.000) 13.763 32.033 ( 0.000 0.887 0.000) 0.887 32.338 ( 0.000 5.450 0.000) 5.450 32.428 ( 0.000 -15.019 0.000) 15.019 32.596 ( 0.000 -5.518 0.000) 5.518 33.154 ( 0.000 1.118 0.000) 1.118 33.342 ( 0.000 12.316 0.000) 12.316 33.605 ( 0.000 3.640 0.000) 3.640 33.613 ( 0.000 1.202 0.000) 1.202 33.784 ( 0.000 5.385 0.000) 5.385 34.378 ( 0.000 2.629 0.000) 2.629 34.929 ( 0.000 12.602 0.000) 12.602 38.254 ( 0.000 -34.643 0.000) 34.643 ======================= Grid point 11 (8/54) ======================= q-point: ( 0.25 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 16.353 23.724 0.000) 28.814 1.558 ( 18.294 25.187 0.000) 31.130 1.868 ( 15.018 17.086 0.000) 22.748 2.194 ( -12.280 4.186 0.000) 12.974 2.320 ( 17.295 21.087 0.000) 27.272 2.606 ( 1.501 -1.809 0.000) 2.351 2.736 ( 6.747 9.413 0.000) 11.581 2.818 ( -5.785 5.878 0.000) 8.247 2.881 ( 8.691 6.179 0.000) 10.664 2.977 ( 0.581 1.549 0.000) 1.654 2.998 ( 1.208 4.357 0.000) 4.521 3.145 ( -2.130 3.868 0.000) 4.416 3.157 ( 4.976 1.576 0.000) 5.220 3.212 ( 7.210 4.176 0.000) 8.332 3.252 ( -9.195 2.451 0.000) 9.516 3.331 ( -2.760 -4.566 0.000) 5.336 3.337 ( 0.268 2.437 0.000) 2.452 3.435 ( 1.613 -5.102 0.000) 5.351 3.445 ( -5.155 -0.067 0.000) 5.156 3.542 ( -6.085 -1.698 0.000) 6.318 3.568 ( -1.430 -2.306 0.000) 2.714 3.666 ( 3.471 0.430 0.000) 3.498 3.895 ( -6.263 3.567 0.000) 7.208 4.031 ( -0.230 -0.862 0.000) 0.893 4.118 ( 4.676 -4.132 0.000) 6.240 4.220 ( -18.677 0.217 0.000) 18.678 4.374 ( -2.777 -1.803 0.000) 3.312 4.410 ( -9.519 3.475 0.000) 10.134 4.575 ( 2.876 -5.210 0.000) 5.951 4.609 ( -0.902 -9.336 0.000) 9.379 4.861 ( -4.865 -5.437 0.000) 7.296 4.887 ( -5.680 -5.361 0.000) 7.811 5.305 ( 6.893 0.224 0.000) 6.897 5.411 ( 17.895 -0.802 0.000) 17.912 5.625 ( -10.531 -0.800 0.000) 10.561 5.919 ( -7.708 -3.245 0.000) 8.364 6.260 ( 7.219 -0.226 0.000) 7.222 6.332 ( 18.286 -4.190 0.000) 18.760 6.364 ( -2.363 -5.124 0.000) 5.642 6.513 ( 2.999 -3.582 0.000) 4.672 6.693 ( -2.077 -6.803 0.000) 7.113 6.713 ( -1.741 -2.328 0.000) 2.907 6.889 ( 16.748 -2.573 0.000) 16.945 6.964 ( 13.468 -1.564 0.000) 13.558 7.051 ( -6.750 -4.502 0.000) 8.114 7.185 ( 4.942 -1.505 0.000) 5.166 7.421 ( -0.684 -4.600 0.000) 4.651 7.585 ( -8.003 1.052 0.000) 8.072 7.700 ( -12.554 -0.131 0.000) 12.554 7.709 ( 3.245 1.240 0.000) 3.474 7.818 ( 6.243 0.277 0.000) 6.249 7.969 ( 7.330 2.517 0.000) 7.750 8.087 ( 1.115 2.424 0.000) 2.668 8.097 ( -1.113 9.907 0.000) 9.969 8.145 ( -1.722 6.043 0.000) 6.284 8.381 ( -9.252 0.911 0.000) 9.297 8.503 ( 6.912 1.452 0.000) 7.063 8.564 ( 0.524 2.803 0.000) 2.851 8.779 ( -14.722 -1.373 0.000) 14.786 8.825 ( -18.011 -1.855 0.000) 18.107 8.979 ( 19.390 -0.356 0.000) 19.393 9.381 ( -42.299 -6.521 0.000) 42.799 9.382 ( -21.354 -2.014 0.000) 21.449 9.428 ( 19.925 -6.198 0.000) 20.867 9.571 ( -8.983 0.565 0.000) 9.000 9.615 ( -8.157 -0.507 0.000) 8.172 9.628 ( 15.259 -1.015 0.000) 15.293 9.722 ( -5.527 -1.749 0.000) 5.798 10.085 ( 5.976 -2.150 0.000) 6.351 10.177 ( 9.871 0.683 0.000) 9.895 10.185 ( -1.659 0.195 0.000) 1.670 10.224 ( -2.226 -6.357 0.000) 6.735 10.455 ( -2.272 -3.137 0.000) 3.873 10.626 ( -10.192 0.617 0.000) 10.211 10.777 ( -8.115 -2.883 0.000) 8.612 10.893 ( -18.530 -0.531 0.000) 18.538 11.034 ( 6.765 -6.161 0.000) 9.150 11.050 ( 1.142 -2.975 0.000) 3.187 11.107 ( -1.106 -5.506 0.000) 5.616 11.171 ( 2.101 -1.772 0.000) 2.749 11.238 ( 2.352 -1.948 0.000) 3.054 11.272 ( 4.469 -3.989 0.000) 5.990 11.451 ( 16.043 -5.212 0.000) 16.868 11.553 ( 9.139 0.532 0.000) 9.154 11.615 ( 5.987 -4.057 0.000) 7.232 11.948 ( -3.692 -2.530 0.000) 4.476 11.972 ( -5.319 -1.847 0.000) 5.630 12.011 ( -4.358 -0.133 0.000) 4.360 12.172 ( 7.975 3.747 0.000) 8.812 12.182 ( -3.930 1.377 0.000) 4.164 12.285 ( 10.092 5.915 0.000) 11.698 12.314 ( 1.721 1.193 0.000) 2.094 12.348 ( -0.950 -0.931 0.000) 1.330 12.386 ( -2.022 -1.538 0.000) 2.540 12.545 ( -14.297 2.081 0.000) 14.447 12.566 ( 3.926 0.761 0.000) 3.999 12.878 ( 7.251 -1.413 0.000) 7.387 12.893 ( -2.968 3.488 0.000) 4.580 12.978 ( 9.563 3.256 0.000) 10.102 12.993 ( -1.213 -2.467 0.000) 2.749 13.047 ( -4.231 -5.944 0.000) 7.296 13.220 ( -4.257 -0.502 0.000) 4.287 13.307 ( -4.803 2.052 0.000) 5.223 13.371 ( -1.496 -6.876 0.000) 7.037 13.528 ( 5.124 1.539 0.000) 5.350 13.598 ( 1.885 2.494 0.000) 3.126 13.675 ( 6.342 -0.450 0.000) 6.358 13.811 ( 5.611 -5.754 0.000) 8.037 13.982 ( 4.284 2.270 0.000) 4.848 14.094 ( -6.385 -0.502 0.000) 6.404 14.273 ( 18.167 2.846 0.000) 18.389 14.598 ( 6.753 6.118 0.000) 9.112 14.710 ( 15.002 -3.458 0.000) 15.395 14.744 ( -0.970 1.807 0.000) 2.051 15.205 ( -11.870 8.602 0.000) 14.659 15.229 ( -7.174 -2.176 0.000) 7.497 15.291 ( -11.395 -3.743 0.000) 11.994 15.483 ( -7.039 -3.624 0.000) 7.917 15.547 ( -6.523 5.908 0.000) 8.801 15.695 ( 0.400 1.641 0.000) 1.689 15.751 ( 1.400 0.158 0.000) 1.409 15.915 ( 3.660 0.634 0.000) 3.714 16.073 ( -25.150 -0.545 0.000) 25.156 16.335 ( -25.814 1.346 0.000) 25.849 16.727 ( 20.749 -2.198 0.000) 20.865 16.776 ( 9.614 -0.193 0.000) 9.616 17.093 ( 3.473 2.648 0.000) 4.367 17.146 ( 6.927 7.083 0.000) 9.907 17.313 ( 2.104 0.739 0.000) 2.230 17.447 ( 4.183 0.699 0.000) 4.241 17.520 ( 5.034 -1.535 0.000) 5.263 17.578 ( 0.452 0.868 0.000) 0.979 17.638 ( -2.814 1.930 0.000) 3.412 17.945 ( -14.383 2.962 0.000) 14.685 18.000 ( 10.041 0.203 0.000) 10.043 18.018 ( -0.865 -1.075 0.000) 1.380 18.128 ( -2.340 -3.711 0.000) 4.387 18.169 ( 10.099 -4.972 0.000) 11.256 18.353 ( 0.050 3.050 0.000) 3.050 18.457 ( 1.170 1.095 0.000) 1.603 18.571 ( -0.433 -0.065 0.000) 0.438 18.596 ( -4.429 -1.604 0.000) 4.711 18.631 ( -2.371 0.174 0.000) 2.377 18.754 ( -11.153 0.306 0.000) 11.157 18.835 ( 9.587 -0.596 0.000) 9.606 19.094 ( 0.872 -0.708 0.000) 1.124 19.259 ( 0.300 -1.663 0.000) 1.689 19.302 ( 0.705 -1.261 0.000) 1.445 19.412 ( 14.853 1.080 0.000) 14.892 19.600 ( 8.080 1.581 0.000) 8.233 19.805 ( 14.699 1.076 0.000) 14.738 19.826 ( 8.905 1.137 0.000) 8.977 20.007 ( 0.306 0.689 0.000) 0.754 20.378 ( -11.617 2.350 0.000) 11.852 20.460 ( -7.860 0.330 0.000) 7.867 20.587 ( 2.550 -1.676 0.000) 3.052 20.689 ( 7.320 -0.115 0.000) 7.321 20.748 ( -2.112 -5.598 0.000) 5.983 20.792 ( -8.007 -1.678 0.000) 8.181 20.870 ( -0.569 0.230 0.000) 0.614 21.024 ( -11.333 -0.762 0.000) 11.359 21.055 ( 1.709 -1.174 0.000) 2.074 21.108 ( 5.383 -1.459 0.000) 5.577 21.212 ( -3.318 1.113 0.000) 3.500 21.883 ( -18.226 1.056 0.000) 18.257 21.890 ( -15.935 1.576 0.000) 16.012 22.122 ( 17.093 -0.849 0.000) 17.114 22.184 ( 1.143 -2.537 0.000) 2.783 22.614 ( 9.630 -1.435 0.000) 9.736 22.644 ( 17.595 1.404 0.000) 17.651 22.812 ( 3.608 -1.375 0.000) 3.861 22.826 ( -0.310 0.427 0.000) 0.528 22.912 ( -9.061 1.657 0.000) 9.212 23.082 ( 9.001 -3.986 0.000) 9.844 23.244 ( -7.674 1.360 0.000) 7.794 23.490 ( -13.545 -2.126 0.000) 13.711 23.570 ( -2.929 0.912 0.000) 3.068 23.604 ( -1.615 0.243 0.000) 1.633 23.684 ( -8.186 1.953 0.000) 8.416 23.803 ( -12.138 -0.963 0.000) 12.176 23.847 ( 5.944 -1.425 0.000) 6.112 24.078 ( 6.366 1.436 0.000) 6.526 24.188 ( -7.111 0.441 0.000) 7.124 24.309 ( -3.980 3.270 0.000) 5.151 24.525 ( 14.756 -0.420 0.000) 14.762 24.902 ( 33.368 -7.774 0.000) 34.261 24.962 ( 41.328 -10.868 0.000) 42.733 25.122 ( 10.407 -6.520 0.000) 12.281 25.148 ( -11.446 -0.208 0.000) 11.448 25.363 ( 20.200 -3.347 0.000) 20.475 25.559 ( -3.487 0.687 0.000) 3.554 25.791 ( -8.145 1.049 0.000) 8.212 25.820 ( -2.813 -4.926 0.000) 5.672 25.975 ( 11.639 -6.049 0.000) 13.117 26.120 ( 0.212 -0.144 0.000) 0.256 26.295 ( 1.177 -0.430 0.000) 1.253 26.594 ( 34.186 -2.407 0.000) 34.271 27.013 ( -35.533 -5.957 0.000) 36.029 27.309 ( -3.353 -0.956 0.000) 3.486 27.451 ( -0.276 -1.674 0.000) 1.697 27.861 ( -26.209 -12.713 0.000) 29.129 27.914 ( 4.068 0.038 0.000) 4.068 27.939 ( -22.762 -23.734 0.000) 32.885 28.174 ( -6.801 -4.696 0.000) 8.264 28.320 ( -1.994 -5.639 0.000) 5.981 28.377 ( 11.172 -4.237 0.000) 11.949 28.494 ( -10.208 -4.477 0.000) 11.147 28.900 ( -7.875 -1.325 0.000) 7.986 28.937 ( 16.973 -8.066 0.000) 18.793 29.031 ( 14.757 -1.932 0.000) 14.883 29.495 ( -4.899 -4.165 0.000) 6.430 29.696 ( -16.058 -7.913 0.000) 17.902 29.708 ( 8.396 -0.050 0.000) 8.397 30.010 ( -3.131 -1.352 0.000) 3.410 30.096 ( 14.484 -2.308 0.000) 14.667 30.546 ( -7.150 -1.643 0.000) 7.336 30.600 ( -2.687 -3.829 0.000) 4.677 30.647 ( -3.628 -4.762 0.000) 5.986 30.687 ( 3.642 -5.440 0.000) 6.546 30.827 ( -0.106 -1.727 0.000) 1.730 30.845 ( 6.287 -12.378 0.000) 13.883 30.992 ( 2.344 -1.142 0.000) 2.608 31.222 ( 4.641 -0.589 0.000) 4.678 31.386 ( 0.356 -7.303 0.000) 7.312 31.425 ( -2.326 -10.230 0.000) 10.491 31.539 ( -5.225 -6.305 0.000) 8.189 31.902 ( 4.564 -5.348 0.000) 7.031 31.971 ( -0.291 -13.427 0.000) 13.430 32.039 ( 0.969 -0.937 0.000) 1.348 32.217 ( -7.688 -0.168 0.000) 7.690 32.434 ( 1.353 -12.697 0.000) 12.769 32.718 ( 1.977 0.169 0.000) 1.984 32.973 ( -12.644 3.106 0.000) 13.020 33.132 ( -2.674 0.824 0.000) 2.798 33.691 ( 7.022 3.111 0.000) 7.681 33.756 ( 4.250 4.285 0.000) 6.036 34.043 ( 13.462 7.850 0.000) 15.584 34.294 ( -7.519 2.770 0.000) 8.014 35.193 ( 31.756 16.058 0.000) 35.585 37.524 ( -64.179 -8.848 0.000) 64.786 ======================= Grid point 12 (9/54) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -1.526 16.859 0.000) 16.928 1.750 ( 1.526 16.859 0.000) 16.928 1.936 ( -3.461 14.351 0.000) 14.762 1.936 ( 3.461 14.351 0.000) 14.762 2.683 ( -1.572 2.030 0.000) 2.568 2.683 ( 1.572 2.030 0.000) 2.568 2.880 ( -12.026 3.766 0.000) 12.602 2.880 ( 12.026 3.766 0.000) 12.602 2.926 ( -2.303 6.162 0.000) 6.578 2.926 ( 2.303 6.162 0.000) 6.578 3.055 ( -0.000 3.886 0.000) 3.886 3.055 ( 0.000 3.886 0.000) 3.886 3.183 ( -10.510 4.009 0.000) 11.249 3.183 ( 10.510 4.009 0.000) 11.249 3.292 ( -6.586 2.433 0.000) 7.021 3.292 ( 6.586 2.433 0.000) 7.021 3.360 ( -0.000 -2.029 0.000) 2.029 3.360 ( 0.000 -2.029 0.000) 2.029 3.443 ( -0.004 3.923 0.000) 3.923 3.443 ( 0.004 3.923 0.000) 3.923 3.657 ( -12.322 -1.788 0.000) 12.451 3.657 ( 12.322 -1.788 0.000) 12.451 3.758 ( -6.120 5.496 0.000) 8.226 3.758 ( 6.120 5.496 0.000) 8.226 4.169 ( -0.061 -4.536 0.000) 4.537 4.169 ( 0.061 -4.536 0.000) 4.537 4.346 ( -0.109 0.052 0.000) 0.121 4.346 ( 0.109 0.052 0.000) 0.121 4.599 ( -0.014 -7.360 0.000) 7.360 4.599 ( 0.014 -7.360 0.000) 7.360 4.812 ( -0.153 -3.788 0.000) 3.791 4.812 ( 0.153 -3.788 0.000) 3.791 5.435 ( -3.526 -1.325 0.000) 3.767 5.435 ( 3.526 -1.325 0.000) 3.767 5.716 ( -10.809 -3.138 0.000) 11.256 5.716 ( 10.809 -3.138 0.000) 11.256 6.402 ( -3.432 -3.587 0.000) 4.965 6.402 ( 3.432 -3.587 0.000) 4.965 6.476 ( -8.139 -1.209 0.000) 8.229 6.476 ( 8.139 -1.209 0.000) 8.229 6.651 ( -1.210 -4.582 0.000) 4.739 6.651 ( 1.210 -4.582 0.000) 4.739 7.145 ( -1.300 -0.286 0.000) 1.331 7.145 ( 1.300 -0.286 0.000) 1.331 7.209 ( -4.832 -3.407 0.000) 5.913 7.209 ( 4.832 -3.407 0.000) 5.913 7.399 ( -6.058 -1.209 0.000) 6.178 7.399 ( 6.058 -1.209 0.000) 6.178 7.648 ( -9.760 -2.151 0.000) 9.994 7.648 ( 9.760 -2.151 0.000) 9.994 7.980 ( -2.188 -2.299 0.000) 3.174 7.980 ( 2.188 -2.299 0.000) 3.174 8.105 ( -0.196 11.382 0.000) 11.383 8.105 ( 0.196 11.382 0.000) 11.383 8.202 ( -6.216 2.785 0.000) 6.812 8.202 ( 6.216 2.785 0.000) 6.812 8.545 ( -3.162 -5.337 0.000) 6.203 8.545 ( 3.162 -5.337 0.000) 6.203 8.616 ( -2.579 0.956 0.000) 2.750 8.616 ( 2.579 0.956 0.000) 2.750 8.963 ( -9.870 -0.764 0.000) 9.899 8.963 ( 9.870 -0.764 0.000) 9.899 9.346 ( -14.965 -0.139 0.000) 14.966 9.346 ( 14.965 -0.139 0.000) 14.966 9.588 ( -1.246 0.165 0.000) 1.257 9.588 ( 1.246 0.165 0.000) 1.257 9.846 ( -2.946 -4.479 0.000) 5.361 9.846 ( 2.946 -4.479 0.000) 5.361 10.009 ( -0.861 -2.653 0.000) 2.789 10.009 ( 0.861 -2.653 0.000) 2.789 10.311 ( -0.924 0.762 0.000) 1.198 10.311 ( 0.924 0.762 0.000) 1.198 10.545 ( -9.962 -2.103 0.000) 10.182 10.545 ( 9.962 -2.103 0.000) 10.182 10.605 ( -10.470 -2.976 0.000) 10.885 10.605 ( 10.470 -2.976 0.000) 10.885 11.077 ( -0.059 -4.005 0.000) 4.005 11.077 ( 0.059 -4.005 0.000) 4.005 11.158 ( -3.183 -6.564 0.000) 7.295 11.158 ( 3.183 -6.564 0.000) 7.295 11.276 ( -0.261 -0.397 0.000) 0.475 11.276 ( 0.261 -0.397 0.000) 0.475 11.663 ( -0.495 -5.485 0.000) 5.507 11.663 ( 0.495 -5.485 0.000) 5.507 11.793 ( -9.278 0.461 0.000) 9.289 11.793 ( 9.278 0.461 0.000) 9.289 11.916 ( -0.606 -0.543 0.000) 0.814 11.916 ( 0.606 -0.543 0.000) 0.814 12.162 ( -5.683 1.218 0.000) 5.812 12.162 ( 5.683 1.218 0.000) 5.812 12.308 ( -3.227 2.629 0.000) 4.162 12.308 ( 3.227 2.629 0.000) 4.162 12.383 ( -0.098 3.312 0.000) 3.314 12.383 ( 0.098 3.312 0.000) 3.314 12.591 ( -9.178 1.863 0.000) 9.365 12.591 ( 9.178 1.863 0.000) 9.365 12.853 ( -1.183 -0.670 0.000) 1.360 12.853 ( 1.183 -0.670 0.000) 1.360 12.998 ( -0.063 -3.618 0.000) 3.618 12.998 ( 0.063 -3.618 0.000) 3.618 13.165 ( -4.127 0.070 0.000) 4.127 13.165 ( 4.127 0.070 0.000) 4.127 13.269 ( -3.399 1.332 0.000) 3.650 13.269 ( 3.399 1.332 0.000) 3.650 13.593 ( -0.110 2.340 0.000) 2.343 13.593 ( 0.110 2.340 0.000) 2.343 13.866 ( -5.954 -0.596 0.000) 5.983 13.866 ( 5.954 -0.596 0.000) 5.983 14.024 ( -6.737 -4.245 0.000) 7.963 14.024 ( 6.737 -4.245 0.000) 7.963 14.527 ( -9.190 6.160 0.000) 11.063 14.527 ( 9.190 6.160 0.000) 11.063 14.880 ( -3.845 5.611 0.000) 6.803 14.880 ( 3.845 5.611 0.000) 6.803 15.093 ( -5.553 -3.440 0.000) 6.533 15.093 ( 5.553 -3.440 0.000) 6.533 15.321 ( -11.359 -1.148 0.000) 11.417 15.321 ( 11.359 -1.148 0.000) 11.417 15.504 ( -9.171 -2.768 0.000) 9.580 15.504 ( 9.171 -2.768 0.000) 9.580 15.782 ( -0.597 1.434 0.000) 1.553 15.782 ( 0.597 1.434 0.000) 1.553 16.017 ( -7.264 2.841 0.000) 7.800 16.017 ( 7.264 2.841 0.000) 7.800 16.927 ( -1.064 -2.100 0.000) 2.354 16.927 ( 1.064 -2.100 0.000) 2.354 17.202 ( -5.569 0.576 0.000) 5.599 17.202 ( 5.569 0.576 0.000) 5.599 17.400 ( -6.864 4.789 0.000) 8.370 17.400 ( 6.864 4.789 0.000) 8.370 17.478 ( -0.369 0.289 0.000) 0.469 17.478 ( 0.369 0.289 0.000) 0.469 17.754 ( -5.070 2.293 0.000) 5.565 17.754 ( 5.070 2.293 0.000) 5.565 18.030 ( -0.938 -1.748 0.000) 1.984 18.030 ( 0.938 -1.748 0.000) 1.984 18.287 ( -10.563 3.128 0.000) 11.016 18.287 ( 10.563 3.128 0.000) 11.016 18.364 ( -4.792 -5.122 0.000) 7.014 18.364 ( 4.792 -5.122 0.000) 7.014 18.567 ( -0.018 -0.071 0.000) 0.073 18.567 ( 0.018 -0.071 0.000) 0.073 18.589 ( -0.093 -0.024 0.000) 0.096 18.589 ( 0.093 -0.024 0.000) 0.096 19.022 ( -4.118 -0.869 0.000) 4.209 19.022 ( 4.118 -0.869 0.000) 4.209 19.284 ( -1.099 -1.028 0.000) 1.505 19.284 ( 1.099 -1.028 0.000) 1.505 19.652 ( -5.570 0.570 0.000) 5.599 19.652 ( 5.570 0.570 0.000) 5.599 19.956 ( -0.445 0.738 0.000) 0.862 19.956 ( 0.445 0.738 0.000) 0.862 20.146 ( -11.130 2.367 0.000) 11.379 20.146 ( 11.130 2.367 0.000) 11.379 20.490 ( -8.958 -0.295 0.000) 8.963 20.490 ( 8.958 -0.295 0.000) 8.963 20.699 ( -0.518 -5.732 0.000) 5.755 20.699 ( 0.518 -5.732 0.000) 5.755 20.839 ( -4.344 -0.481 0.000) 4.371 20.839 ( 4.344 -0.481 0.000) 4.371 20.982 ( -9.842 1.023 0.000) 9.895 20.982 ( 9.842 1.023 0.000) 9.895 21.140 ( -5.832 -2.168 0.000) 6.222 21.140 ( 5.832 -2.168 0.000) 6.222 21.684 ( -0.216 1.830 0.000) 1.842 21.684 ( 0.216 1.830 0.000) 1.842 22.325 ( -2.076 -1.221 0.000) 2.408 22.325 ( 2.076 -1.221 0.000) 2.408 22.685 ( -1.935 0.006 0.000) 1.935 22.685 ( 1.935 0.006 0.000) 1.935 22.852 ( -2.622 -0.037 0.000) 2.623 22.852 ( 2.622 -0.037 0.000) 2.623 23.014 ( -13.660 1.364 0.000) 13.728 23.014 ( 13.660 1.364 0.000) 13.728 23.262 ( -8.421 -3.750 0.000) 9.219 23.262 ( 8.421 -3.750 0.000) 9.219 23.565 ( -1.074 1.299 0.000) 1.685 23.565 ( 1.074 1.299 0.000) 1.685 23.614 ( -2.512 -0.703 0.000) 2.608 23.614 ( 2.512 -0.703 0.000) 2.608 23.997 ( -6.331 -0.647 0.000) 6.364 23.997 ( 6.331 -0.647 0.000) 6.364 24.223 ( -2.600 2.810 0.000) 3.828 24.223 ( 2.600 2.810 0.000) 3.828 24.834 ( -15.921 0.898 0.000) 15.947 24.834 ( 15.921 0.898 0.000) 15.947 25.304 ( -0.485 -5.000 0.000) 5.023 25.304 ( 0.485 -5.000 0.000) 5.023 25.384 ( -0.764 -3.488 0.000) 3.570 25.384 ( 0.764 -3.488 0.000) 3.570 25.667 ( -3.360 0.230 0.000) 3.367 25.667 ( 3.360 0.230 0.000) 3.367 26.009 ( -16.052 -4.472 0.000) 16.663 26.009 ( 16.052 -4.472 0.000) 16.663 26.396 ( -17.554 -4.102 0.000) 18.027 26.396 ( 17.554 -4.102 0.000) 18.027 26.814 ( -49.621 -31.409 0.000) 58.726 26.814 ( 49.621 -31.409 0.000) 58.726 27.276 ( -16.333 -4.106 0.000) 16.841 27.276 ( 16.333 -4.106 0.000) 16.841 27.491 ( -1.483 -8.358 0.000) 8.488 27.491 ( 1.483 -8.358 0.000) 8.488 28.021 ( -6.496 -0.739 0.000) 6.538 28.021 ( 6.496 -0.739 0.000) 6.538 28.345 ( -4.212 -6.219 0.000) 7.511 28.345 ( 4.212 -6.219 0.000) 7.511 28.678 ( -12.896 -1.828 0.000) 13.025 28.678 ( 12.896 -1.828 0.000) 13.025 29.278 ( -2.183 -5.248 0.000) 5.684 29.278 ( 2.183 -5.248 0.000) 5.684 29.351 ( -4.932 -4.495 0.000) 6.674 29.351 ( 4.932 -4.495 0.000) 6.674 29.892 ( -8.518 -1.102 0.000) 8.589 29.892 ( 8.518 -1.102 0.000) 8.589 30.371 ( -11.606 -1.192 0.000) 11.667 30.371 ( 11.606 -1.192 0.000) 11.667 30.586 ( -0.530 -3.782 0.000) 3.819 30.586 ( 0.530 -3.782 0.000) 3.819 30.778 ( -3.398 -5.798 0.000) 6.721 30.778 ( 3.398 -5.798 0.000) 6.721 30.960 ( -4.943 -5.283 0.000) 7.235 30.960 ( 4.943 -5.283 0.000) 7.235 31.332 ( -3.103 -0.951 0.000) 3.246 31.332 ( 3.103 -0.951 0.000) 3.246 31.442 ( -1.363 -10.036 0.000) 10.129 31.442 ( 1.363 -10.036 0.000) 10.129 31.965 ( -0.117 -10.305 0.000) 10.305 31.965 ( 0.117 -10.305 0.000) 10.305 32.092 ( -4.212 -2.543 0.000) 4.920 32.092 ( 4.212 -2.543 0.000) 4.920 32.531 ( -9.216 -4.347 0.000) 10.190 32.531 ( 9.216 -4.347 0.000) 10.190 33.035 ( -3.532 0.408 0.000) 3.555 33.035 ( 3.532 0.408 0.000) 3.555 33.803 ( -0.059 5.714 0.000) 5.715 33.803 ( 0.059 5.714 0.000) 5.715 34.159 ( -0.253 3.585 0.000) 3.594 34.159 ( 0.253 3.585 0.000) 3.594 36.183 ( -61.994 15.263 0.000) 63.845 36.183 ( 61.994 15.263 0.000) 63.845 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.718 ( 0.000 24.111 0.000) 24.111 1.791 ( 0.000 21.768 0.000) 21.768 2.372 ( 0.000 5.038 0.000) 5.038 2.404 ( 0.000 33.540 0.000) 33.540 2.490 ( 0.000 -4.799 0.000) 4.799 2.585 ( 0.000 18.336 0.000) 18.336 2.890 ( 0.000 3.045 0.000) 3.045 2.892 ( 0.000 11.521 0.000) 11.521 2.986 ( 0.000 3.207 0.000) 3.207 3.036 ( 0.000 3.547 0.000) 3.547 3.091 ( 0.000 2.688 0.000) 2.688 3.173 ( 0.000 3.360 0.000) 3.360 3.187 ( 0.000 9.729 0.000) 9.729 3.222 ( 0.000 -4.392 0.000) 4.392 3.267 ( 0.000 -7.736 0.000) 7.736 3.333 ( 0.000 4.144 0.000) 4.144 3.348 ( 0.000 -2.118 0.000) 2.118 3.414 ( 0.000 2.817 0.000) 2.817 3.516 ( 0.000 1.300 0.000) 1.300 3.549 ( 0.000 -1.913 0.000) 1.913 3.572 ( 0.000 0.274 0.000) 0.274 3.636 ( 0.000 6.987 0.000) 6.987 3.848 ( 0.000 -5.913 0.000) 5.913 4.000 ( 0.000 -2.653 0.000) 2.653 4.079 ( 0.000 4.275 0.000) 4.275 4.363 ( 0.000 -9.508 0.000) 9.508 4.374 ( 0.000 -3.498 0.000) 3.498 4.377 ( 0.000 -8.725 0.000) 8.725 4.430 ( 0.000 -2.335 0.000) 2.335 4.643 ( 0.000 -1.904 0.000) 1.904 4.806 ( 0.000 -8.519 0.000) 8.519 4.953 ( 0.000 2.886 0.000) 2.886 5.117 ( 0.000 -3.342 0.000) 3.342 5.202 ( 0.000 -1.225 0.000) 1.225 5.752 ( 0.000 0.008 0.000) 0.008 5.938 ( 0.000 -3.388 0.000) 3.388 5.984 ( 0.000 -3.276 0.000) 3.276 6.181 ( 0.000 -1.293 0.000) 1.293 6.383 ( 0.000 -7.614 0.000) 7.614 6.385 ( 0.000 -3.659 0.000) 3.659 6.541 ( 0.000 1.627 0.000) 1.627 6.549 ( 0.000 -11.100 0.000) 11.100 6.736 ( 0.000 -0.399 0.000) 0.399 6.747 ( 0.000 -4.115 0.000) 4.115 7.093 ( 0.000 -2.312 0.000) 2.312 7.100 ( 0.000 -5.106 0.000) 5.106 7.466 ( 0.000 3.418 0.000) 3.418 7.597 ( 0.000 -2.349 0.000) 2.349 7.600 ( 0.000 -5.227 0.000) 5.227 7.718 ( 0.000 -2.474 0.000) 2.474 7.876 ( 0.000 0.565 0.000) 0.565 7.981 ( 0.000 2.589 0.000) 2.589 8.105 ( 0.000 -0.068 0.000) 0.068 8.259 ( 0.000 0.566 0.000) 0.566 8.302 ( 0.000 7.648 0.000) 7.648 8.398 ( 0.000 2.379 0.000) 2.379 8.580 ( 0.000 4.070 0.000) 4.070 8.614 ( 0.000 1.527 0.000) 1.527 8.731 ( 0.000 -0.201 0.000) 0.201 8.886 ( 0.000 -25.794 0.000) 25.794 8.936 ( 0.000 -0.634 0.000) 0.634 9.062 ( 0.000 1.656 0.000) 1.656 9.276 ( 0.000 -2.254 0.000) 2.254 9.536 ( 0.000 -3.442 0.000) 3.442 9.694 ( 0.000 -3.081 0.000) 3.081 9.699 ( 0.000 3.344 0.000) 3.344 9.795 ( 0.000 -2.475 0.000) 2.475 9.845 ( 0.000 -0.211 0.000) 0.211 10.004 ( 0.000 -1.671 0.000) 1.671 10.107 ( 0.000 1.206 0.000) 1.206 10.204 ( 0.000 -3.887 0.000) 3.887 10.302 ( 0.000 -1.420 0.000) 1.420 10.379 ( 0.000 -7.209 0.000) 7.209 10.550 ( 0.000 -2.696 0.000) 2.696 10.801 ( 0.000 -4.242 0.000) 4.242 10.826 ( 0.000 -6.864 0.000) 6.864 10.988 ( 0.000 -5.321 0.000) 5.321 11.021 ( 0.000 -1.696 0.000) 1.696 11.050 ( 0.000 -1.601 0.000) 1.601 11.107 ( 0.000 -0.559 0.000) 0.559 11.134 ( 0.000 0.743 0.000) 0.743 11.171 ( 0.000 -6.349 0.000) 6.349 11.310 ( 0.000 3.404 0.000) 3.404 11.335 ( 0.000 -4.313 0.000) 4.313 11.450 ( 0.000 -3.706 0.000) 3.706 11.930 ( 0.000 -3.909 0.000) 3.909 11.986 ( 0.000 -0.886 0.000) 0.886 12.020 ( 0.000 1.162 0.000) 1.162 12.135 ( 0.000 3.043 0.000) 3.043 12.199 ( 0.000 0.153 0.000) 0.153 12.237 ( 0.000 0.898 0.000) 0.898 12.251 ( 0.000 -5.499 0.000) 5.499 12.265 ( 0.000 2.160 0.000) 2.160 12.553 ( 0.000 3.019 0.000) 3.019 12.664 ( 0.000 3.720 0.000) 3.720 12.721 ( 0.000 -0.434 0.000) 0.434 12.778 ( 0.000 -2.411 0.000) 2.411 12.780 ( 0.000 5.291 0.000) 5.291 12.949 ( 0.000 1.363 0.000) 1.363 12.970 ( 0.000 -5.240 0.000) 5.240 13.010 ( 0.000 -5.365 0.000) 5.365 13.210 ( 0.000 -2.348 0.000) 2.348 13.266 ( 0.000 -6.693 0.000) 6.693 13.441 ( 0.000 -4.852 0.000) 4.852 13.448 ( 0.000 -2.466 0.000) 2.466 13.523 ( 0.000 3.738 0.000) 3.738 13.614 ( 0.000 4.559 0.000) 4.559 13.771 ( 0.000 -3.164 0.000) 3.164 13.921 ( 0.000 -0.449 0.000) 0.449 14.079 ( 0.000 5.788 0.000) 5.788 14.193 ( 0.000 1.333 0.000) 1.333 14.523 ( 0.000 -0.226 0.000) 0.226 14.555 ( 0.000 1.874 0.000) 1.874 14.820 ( 0.000 3.733 0.000) 3.733 15.361 ( 0.000 -3.511 0.000) 3.511 15.380 ( 0.000 0.075 0.000) 0.075 15.481 ( 0.000 -5.040 0.000) 5.040 15.521 ( 0.000 8.649 0.000) 8.649 15.666 ( 0.000 -2.842 0.000) 2.842 15.708 ( 0.000 3.198 0.000) 3.198 15.785 ( 0.000 5.292 0.000) 5.292 15.902 ( 0.000 -1.615 0.000) 1.615 16.391 ( 0.000 -0.574 0.000) 0.574 16.439 ( 0.000 2.494 0.000) 2.494 16.579 ( 0.000 -2.545 0.000) 2.545 16.838 ( 0.000 0.571 0.000) 0.571 17.098 ( 0.000 2.644 0.000) 2.644 17.149 ( 0.000 4.544 0.000) 4.544 17.290 ( 0.000 3.605 0.000) 3.605 17.339 ( 0.000 2.958 0.000) 2.958 17.418 ( 0.000 0.577 0.000) 0.577 17.538 ( 0.000 -1.339 0.000) 1.339 17.739 ( 0.000 -0.799 0.000) 0.799 17.885 ( 0.000 -0.777 0.000) 0.777 17.949 ( 0.000 -0.224 0.000) 0.224 18.011 ( 0.000 -1.098 0.000) 1.098 18.168 ( 0.000 -0.519 0.000) 0.519 18.232 ( 0.000 1.773 0.000) 1.773 18.340 ( 0.000 0.161 0.000) 0.161 18.509 ( 0.000 3.349 0.000) 3.349 18.571 ( 0.000 -0.255 0.000) 0.255 18.631 ( 0.000 -0.298 0.000) 0.298 18.636 ( 0.000 -0.713 0.000) 0.713 18.729 ( 0.000 0.058 0.000) 0.058 18.931 ( 0.000 1.291 0.000) 1.291 19.051 ( 0.000 -0.855 0.000) 0.855 19.184 ( 0.000 -0.292 0.000) 0.292 19.254 ( 0.000 -0.742 0.000) 0.742 19.261 ( 0.000 -1.065 0.000) 1.065 19.565 ( 0.000 2.907 0.000) 2.907 19.650 ( 0.000 0.676 0.000) 0.676 19.728 ( 0.000 0.163 0.000) 0.163 20.019 ( 0.000 0.405 0.000) 0.405 20.510 ( 0.000 -1.554 0.000) 1.554 20.584 ( 0.000 3.734 0.000) 3.734 20.615 ( 0.000 -0.939 0.000) 0.939 20.642 ( 0.000 -2.758 0.000) 2.758 20.737 ( 0.000 -3.587 0.000) 3.587 20.810 ( 0.000 1.167 0.000) 1.167 20.831 ( 0.000 1.460 0.000) 1.460 20.995 ( 0.000 -1.595 0.000) 1.595 21.005 ( 0.000 0.691 0.000) 0.691 21.199 ( 0.000 -1.400 0.000) 1.400 21.251 ( 0.000 1.951 0.000) 1.951 21.908 ( 0.000 -0.245 0.000) 0.245 22.115 ( 0.000 -5.022 0.000) 5.022 22.146 ( 0.000 0.570 0.000) 0.570 22.216 ( 0.000 0.614 0.000) 0.614 22.377 ( 0.000 1.815 0.000) 1.815 22.467 ( 0.000 2.057 0.000) 2.057 22.746 ( 0.000 -1.679 0.000) 1.679 22.789 ( 0.000 0.913 0.000) 0.913 22.907 ( 0.000 -3.101 0.000) 3.101 23.085 ( 0.000 2.368 0.000) 2.368 23.350 ( 0.000 1.797 0.000) 1.797 23.619 ( 0.000 2.124 0.000) 2.124 23.637 ( 0.000 0.451 0.000) 0.451 23.689 ( 0.000 -0.150 0.000) 0.150 23.710 ( 0.000 0.343 0.000) 0.343 23.907 ( 0.000 5.006 0.000) 5.006 24.011 ( 0.000 0.166 0.000) 0.166 24.015 ( 0.000 1.630 0.000) 1.630 24.226 ( 0.000 -0.143 0.000) 0.143 24.233 ( 0.000 0.213 0.000) 0.213 24.377 ( 0.000 -0.311 0.000) 0.311 24.463 ( 0.000 2.324 0.000) 2.324 24.654 ( 0.000 1.081 0.000) 1.081 24.873 ( 0.000 -5.741 0.000) 5.741 24.880 ( 0.000 -4.705 0.000) 4.705 25.490 ( 0.000 1.834 0.000) 1.834 25.593 ( 0.000 0.334 0.000) 0.334 25.768 ( 0.000 -3.851 0.000) 3.851 25.920 ( 0.000 1.788 0.000) 1.788 25.926 ( 0.000 -1.370 0.000) 1.370 26.112 ( 0.000 0.105 0.000) 0.105 26.126 ( 0.000 -1.227 0.000) 1.227 26.288 ( 0.000 0.111 0.000) 0.111 27.283 ( 0.000 -0.781 0.000) 0.781 27.435 ( 0.000 -0.637 0.000) 0.637 27.525 ( 0.000 -2.665 0.000) 2.665 27.752 ( 0.000 -6.559 0.000) 6.559 27.783 ( 0.000 -12.942 0.000) 12.942 27.875 ( 0.000 0.092 0.000) 0.092 27.950 ( 0.000 -14.968 0.000) 14.968 28.295 ( 0.000 -1.528 0.000) 1.528 28.464 ( 0.000 -12.131 0.000) 12.131 28.474 ( 0.000 -1.757 0.000) 1.757 28.603 ( 0.000 -5.275 0.000) 5.275 28.752 ( 0.000 -0.807 0.000) 0.807 28.962 ( 0.000 -1.035 0.000) 1.035 29.385 ( 0.000 -4.622 0.000) 4.622 29.619 ( 0.000 -0.132 0.000) 0.132 29.715 ( 0.000 -7.354 0.000) 7.354 29.903 ( 0.000 -1.549 0.000) 1.549 30.009 ( 0.000 -1.182 0.000) 1.182 30.456 ( 0.000 -10.892 0.000) 10.892 30.562 ( 0.000 -6.609 0.000) 6.609 30.581 ( 0.000 -3.417 0.000) 3.417 30.611 ( 0.000 -1.566 0.000) 1.566 30.645 ( 0.000 -0.171 0.000) 0.171 30.775 ( 0.000 -0.479 0.000) 0.479 30.926 ( 0.000 -1.894 0.000) 1.894 31.170 ( 0.000 -8.328 0.000) 8.328 31.188 ( 0.000 0.589 0.000) 0.589 31.314 ( 0.000 -6.770 0.000) 6.770 31.517 ( 0.000 -3.528 0.000) 3.528 31.750 ( 0.000 -4.271 0.000) 4.271 31.756 ( 0.000 -8.755 0.000) 8.755 32.022 ( 0.000 -1.647 0.000) 1.647 32.175 ( 0.000 -10.172 0.000) 10.172 32.401 ( 0.000 1.135 0.000) 1.135 32.506 ( 0.000 -3.790 0.000) 3.790 33.162 ( 0.000 -0.239 0.000) 0.239 33.455 ( 0.000 0.051 0.000) 0.051 33.624 ( 0.000 -0.333 0.000) 0.333 33.626 ( 0.000 -1.199 0.000) 1.199 33.831 ( 0.000 -0.232 0.000) 0.232 34.344 ( 0.000 -5.243 0.000) 5.243 35.084 ( 0.000 3.212 0.000) 3.212 37.511 ( 0.000 -38.283 0.000) 38.283 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.25 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 9.216 18.472 0.000) 20.643 1.985 ( 19.072 18.005 0.000) 26.228 2.288 ( -8.724 23.377 0.000) 24.952 2.329 ( -3.193 10.396 0.000) 10.876 2.542 ( 4.960 -3.970 0.000) 6.353 2.742 ( 12.844 20.212 0.000) 23.948 2.866 ( -6.973 -0.257 0.000) 6.977 2.944 ( 5.055 10.096 0.000) 11.290 2.996 ( 5.861 3.878 0.000) 7.028 3.016 ( -1.772 2.042 0.000) 2.704 3.128 ( -1.321 6.458 0.000) 6.592 3.179 ( 5.047 1.176 0.000) 5.183 3.221 ( -0.520 -4.098 0.000) 4.131 3.227 ( 2.150 2.850 0.000) 3.570 3.286 ( -1.273 -0.129 0.000) 1.280 3.297 ( -1.117 4.156 0.000) 4.303 3.327 ( 0.702 -1.231 0.000) 1.417 3.416 ( 2.014 4.991 0.000) 5.382 3.485 ( -2.989 3.216 0.000) 4.391 3.507 ( -0.708 -1.913 0.000) 2.040 3.509 ( -5.321 -1.093 0.000) 5.432 3.779 ( 9.461 8.773 0.000) 12.902 3.888 ( 0.940 -3.870 0.000) 3.983 4.036 ( 3.087 -3.612 0.000) 4.751 4.059 ( -1.709 3.194 0.000) 3.622 4.264 ( -15.398 3.683 0.000) 15.833 4.306 ( -1.923 -5.332 0.000) 5.668 4.387 ( -0.351 -8.331 0.000) 8.339 4.452 ( 1.802 -6.898 0.000) 7.130 4.487 ( -9.706 -0.117 0.000) 9.706 4.772 ( -2.173 -6.053 0.000) 6.431 4.785 ( -5.972 -1.676 0.000) 6.203 5.278 ( 5.580 -2.800 0.000) 6.243 5.364 ( 14.279 -4.016 0.000) 14.833 5.609 ( -11.767 -0.679 0.000) 11.786 5.839 ( -8.855 -4.613 0.000) 9.985 6.242 ( 7.310 -1.696 0.000) 7.504 6.254 ( 21.352 -3.523 0.000) 21.640 6.269 ( -2.391 -4.228 0.000) 4.857 6.424 ( -2.743 -5.276 0.000) 5.946 6.565 ( 7.089 -5.930 0.000) 9.242 6.650 ( -1.788 -3.326 0.000) 3.776 6.844 ( 16.213 -1.951 0.000) 16.330 6.947 ( -8.450 -5.836 0.000) 10.270 6.947 ( 13.429 -0.951 0.000) 13.463 7.146 ( 4.512 -2.557 0.000) 5.186 7.342 ( -5.579 -3.243 0.000) 6.453 7.582 ( -8.573 -1.206 0.000) 8.657 7.679 ( 6.555 -3.168 0.000) 7.280 7.725 ( -12.313 2.453 0.000) 12.555 7.828 ( 6.576 0.872 0.000) 6.633 7.970 ( 4.755 -1.498 0.000) 4.985 8.099 ( -0.964 -1.269 0.000) 1.594 8.223 ( 0.033 2.570 0.000) 2.570 8.294 ( -0.850 6.490 0.000) 6.546 8.390 ( -6.712 0.197 0.000) 6.715 8.505 ( -6.332 -5.478 0.000) 8.372 8.610 ( 0.150 2.170 0.000) 2.176 8.697 ( -4.984 -6.809 0.000) 8.438 8.740 ( -20.911 -2.612 0.000) 21.074 8.975 ( 18.342 0.098 0.000) 18.342 9.272 ( -42.392 -4.068 0.000) 42.587 9.292 ( 16.877 -6.031 0.000) 17.923 9.344 ( -11.833 -1.936 0.000) 11.991 9.600 ( 0.680 0.641 0.000) 0.935 9.615 ( 6.536 1.463 0.000) 6.697 9.623 ( -6.877 1.071 0.000) 6.960 9.676 ( -4.117 -2.712 0.000) 4.930 10.038 ( 6.726 -2.410 0.000) 7.144 10.094 ( -3.705 -5.930 0.000) 6.992 10.163 ( -0.287 -2.478 0.000) 2.494 10.196 ( 8.875 0.876 0.000) 8.918 10.414 ( -0.663 -1.156 0.000) 1.332 10.620 ( -13.751 -1.252 0.000) 13.808 10.729 ( -8.808 -1.733 0.000) 8.977 10.863 ( -15.670 -3.052 0.000) 15.964 10.903 ( 6.303 -6.859 0.000) 9.315 10.986 ( -2.965 -3.158 0.000) 4.331 11.016 ( -0.248 -3.751 0.000) 3.760 11.117 ( -5.681 -3.038 0.000) 6.443 11.191 ( 14.180 -3.668 0.000) 14.647 11.218 ( 4.889 0.024 0.000) 4.889 11.358 ( 13.916 -3.856 0.000) 14.440 11.522 ( 6.577 -2.276 0.000) 6.959 11.576 ( 9.585 -0.685 0.000) 9.609 11.905 ( -2.628 -1.434 0.000) 2.994 11.944 ( -5.464 -0.773 0.000) 5.518 12.004 ( -2.900 -0.627 0.000) 2.967 12.183 ( 0.635 -1.081 0.000) 1.254 12.250 ( 7.900 3.640 0.000) 8.698 12.296 ( 1.488 -3.021 0.000) 3.368 12.319 ( 4.268 -0.084 0.000) 4.269 12.389 ( -8.293 1.117 0.000) 8.368 12.393 ( 10.654 4.521 0.000) 11.574 12.591 ( -1.521 1.503 0.000) 2.139 12.607 ( -8.827 3.412 0.000) 9.463 12.867 ( 10.544 0.466 0.000) 10.554 12.899 ( -4.240 -6.279 0.000) 7.576 12.923 ( -0.763 -0.994 0.000) 1.253 12.954 ( -5.646 -3.694 0.000) 6.747 13.022 ( 1.452 2.218 0.000) 2.651 13.236 ( 4.158 -6.106 0.000) 7.388 13.238 ( 3.114 1.649 0.000) 3.524 13.349 ( -2.006 1.973 0.000) 2.814 13.480 ( 4.113 -5.452 0.000) 6.829 13.624 ( 1.673 0.378 0.000) 1.715 13.686 ( 6.702 -0.052 0.000) 6.702 13.753 ( 8.221 0.824 0.000) 8.262 14.037 ( -3.500 2.662 0.000) 4.397 14.103 ( -6.995 1.687 0.000) 7.196 14.323 ( 21.776 2.207 0.000) 21.888 14.653 ( 13.548 -2.339 0.000) 13.748 14.685 ( 13.137 2.365 0.000) 13.348 14.797 ( -3.440 3.729 0.000) 5.073 15.183 ( -8.789 -2.455 0.000) 9.126 15.216 ( -11.513 -3.451 0.000) 12.019 15.362 ( -14.840 7.209 0.000) 16.498 15.406 ( -6.525 -4.060 0.000) 7.685 15.655 ( -12.475 4.794 0.000) 13.364 15.715 ( -2.969 0.397 0.000) 2.995 15.761 ( 3.498 0.748 0.000) 3.577 15.910 ( 6.116 -1.023 0.000) 6.201 16.055 ( -24.383 -1.312 0.000) 24.418 16.363 ( -24.469 1.406 0.000) 24.509 16.684 ( 19.480 -2.029 0.000) 19.585 16.784 ( 8.768 0.865 0.000) 8.810 17.136 ( 0.376 1.949 0.000) 1.985 17.289 ( 6.989 6.658 0.000) 9.653 17.325 ( -0.352 0.444 0.000) 0.567 17.463 ( 4.752 0.822 0.000) 4.823 17.476 ( 0.383 -2.577 0.000) 2.605 17.597 ( 3.483 0.953 0.000) 3.611 17.691 ( 2.551 3.034 0.000) 3.963 17.981 ( 4.397 0.473 0.000) 4.423 17.996 ( -1.207 -1.169 0.000) 1.680 18.023 ( -5.216 2.107 0.000) 5.626 18.039 ( 3.955 -3.242 0.000) 5.114 18.136 ( -0.835 -0.884 0.000) 1.216 18.390 ( 2.261 0.914 0.000) 2.439 18.493 ( -4.259 2.105 0.000) 4.751 18.571 ( -0.262 -0.015 0.000) 0.263 18.575 ( -2.008 -0.319 0.000) 2.033 18.637 ( -1.408 0.478 0.000) 1.487 18.758 ( -13.014 0.101 0.000) 13.015 18.824 ( 8.659 -0.553 0.000) 8.676 19.080 ( 0.872 -0.726 0.000) 1.135 19.225 ( 0.735 -1.730 0.000) 1.879 19.278 ( 0.852 -1.173 0.000) 1.450 19.432 ( 14.990 0.875 0.000) 15.016 19.626 ( 5.293 1.044 0.000) 5.395 19.826 ( 14.927 0.998 0.000) 14.961 19.850 ( 9.700 1.237 0.000) 9.778 20.023 ( 1.378 0.792 0.000) 1.589 20.427 ( -11.440 2.424 0.000) 11.694 20.464 ( -8.363 0.050 0.000) 8.363 20.554 ( 1.985 -1.658 0.000) 2.586 20.646 ( -2.035 -4.454 0.000) 4.897 20.685 ( 4.862 -0.131 0.000) 4.864 20.770 ( -9.936 -0.746 0.000) 9.964 20.885 ( 1.714 1.085 0.000) 2.029 21.004 ( -9.663 -1.167 0.000) 9.733 21.030 ( 0.443 -1.290 0.000) 1.364 21.077 ( 2.571 -1.639 0.000) 3.049 21.235 ( -4.584 1.131 0.000) 4.721 21.907 ( -17.102 1.242 0.000) 17.147 21.925 ( -15.447 1.911 0.000) 15.565 22.112 ( 15.954 -0.269 0.000) 15.956 22.133 ( 5.076 -2.315 0.000) 5.579 22.604 ( 8.649 0.327 0.000) 8.655 22.679 ( 18.166 2.009 0.000) 18.276 22.785 ( 4.546 -1.345 0.000) 4.741 22.840 ( 1.054 0.951 0.000) 1.419 22.943 ( -10.173 1.174 0.000) 10.241 23.012 ( 7.468 -2.696 0.000) 7.940 23.278 ( -7.300 2.009 0.000) 7.571 23.456 ( -15.835 -1.200 0.000) 15.880 23.586 ( -2.928 0.683 0.000) 3.007 23.621 ( -1.505 1.471 0.000) 2.104 23.724 ( -7.633 1.688 0.000) 7.817 23.790 ( -14.220 -0.469 0.000) 14.228 23.842 ( 5.496 1.095 0.000) 5.604 24.113 ( 5.897 2.014 0.000) 6.231 24.199 ( -6.555 0.606 0.000) 6.583 24.375 ( -3.318 3.262 0.000) 4.653 24.520 ( 16.282 -0.121 0.000) 16.283 24.695 ( 35.681 -6.486 0.000) 36.265 24.961 ( 21.953 1.445 0.000) 22.000 25.002 ( 10.410 -5.231 0.000) 11.651 25.143 ( 3.156 -0.766 0.000) 3.247 25.301 ( 8.608 -2.559 0.000) 8.980 25.570 ( -3.072 0.444 0.000) 3.104 25.727 ( -2.326 -3.801 0.000) 4.456 25.813 ( -9.529 1.118 0.000) 9.594 25.905 ( 1.828 -2.288 0.000) 2.928 26.117 ( -0.575 -0.156 0.000) 0.596 26.289 ( 0.269 -0.148 0.000) 0.307 26.552 ( 32.128 -1.983 0.000) 32.189 26.894 ( -36.810 -5.743 0.000) 37.256 27.239 ( -24.247 -8.390 0.000) 25.658 27.429 ( -0.537 -0.606 0.000) 0.810 27.488 ( -21.643 -12.627 0.000) 25.057 27.666 ( -11.389 -9.862 0.000) 15.066 27.914 ( 3.795 0.015 0.000) 3.795 28.123 ( -2.776 -2.051 0.000) 3.451 28.223 ( -3.701 -4.537 0.000) 5.855 28.317 ( 12.502 -2.316 0.000) 12.715 28.397 ( -11.653 -5.069 0.000) 12.708 28.799 ( 17.927 -5.932 0.000) 18.883 28.876 ( -8.197 -1.068 0.000) 8.266 28.992 ( 14.623 -1.918 0.000) 14.748 29.415 ( -1.785 -3.691 0.000) 4.100 29.544 ( -15.479 -7.064 0.000) 17.015 29.704 ( 7.726 -0.284 0.000) 7.731 29.982 ( -3.244 -1.348 0.000) 3.513 30.053 ( 14.563 -1.982 0.000) 14.697 30.459 ( 0.366 -7.859 0.000) 7.867 30.508 ( -5.087 -2.847 0.000) 5.829 30.548 ( -3.967 -4.106 0.000) 5.709 30.631 ( 2.611 -1.791 0.000) 3.167 30.685 ( 6.408 -4.912 0.000) 8.074 30.798 ( -2.589 -1.288 0.000) 2.892 30.973 ( 2.828 -0.833 0.000) 2.948 31.166 ( -1.912 -5.048 0.000) 5.398 31.244 ( 5.965 -6.249 0.000) 8.639 31.291 ( 1.703 -3.214 0.000) 3.637 31.456 ( -6.203 -3.054 0.000) 6.914 31.745 ( -0.657 -9.317 0.000) 9.340 31.803 ( 2.378 -4.389 0.000) 4.992 31.957 ( -3.140 -6.645 0.000) 7.349 32.182 ( -11.205 -2.639 0.000) 11.511 32.258 ( 7.550 -5.302 0.000) 9.226 32.723 ( 6.402 -0.091 0.000) 6.402 32.984 ( -19.174 -1.774 0.000) 19.256 33.133 ( -3.215 -0.593 0.000) 3.269 33.728 ( 9.242 0.382 0.000) 9.250 33.810 ( 5.159 1.211 0.000) 5.300 34.081 ( 11.415 -2.919 0.000) 11.782 34.268 ( -6.915 -4.667 0.000) 8.342 35.345 ( 29.744 0.618 0.000) 29.750 37.103 ( -38.577 -28.211 0.000) 47.792 ======================= Grid point 17 (12/54) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -3.732 17.160 0.000) 17.561 2.096 ( 3.732 17.160 0.000) 17.561 2.242 ( -2.434 15.492 0.000) 15.682 2.242 ( 2.434 15.492 0.000) 15.682 2.689 ( -6.997 -1.448 0.000) 7.145 2.689 ( 6.997 -1.448 0.000) 7.145 2.955 ( -1.246 5.165 0.000) 5.313 2.955 ( 1.246 5.165 0.000) 5.313 3.048 ( -2.944 4.556 0.000) 5.425 3.048 ( 2.944 4.556 0.000) 5.425 3.146 ( -1.293 2.073 0.000) 2.443 3.146 ( 1.293 2.073 0.000) 2.443 3.237 ( -0.002 4.030 0.000) 4.030 3.237 ( 0.002 4.030 0.000) 4.030 3.324 ( -0.031 -1.090 0.000) 1.090 3.324 ( 0.031 -1.090 0.000) 1.090 3.346 ( -7.944 2.797 0.000) 8.423 3.346 ( 7.944 2.797 0.000) 8.423 3.483 ( -0.629 0.552 0.000) 0.837 3.483 ( 0.629 0.552 0.000) 0.837 3.672 ( -15.316 4.844 0.000) 16.064 3.672 ( 15.316 4.844 0.000) 16.064 3.959 ( -3.628 11.904 0.000) 12.445 3.959 ( 3.628 11.904 0.000) 12.445 4.078 ( -0.036 -3.841 0.000) 3.842 4.078 ( 0.036 -3.841 0.000) 3.842 4.317 ( -1.439 -3.214 0.000) 3.521 4.317 ( 1.439 -3.214 0.000) 3.521 4.441 ( -0.510 -8.208 0.000) 8.224 4.441 ( 0.510 -8.208 0.000) 8.224 4.746 ( -0.073 -2.578 0.000) 2.579 4.746 ( 0.073 -2.578 0.000) 2.579 5.397 ( -3.980 -2.259 0.000) 4.576 5.397 ( 3.980 -2.259 0.000) 4.576 5.625 ( -9.487 -5.907 0.000) 11.176 5.625 ( 9.487 -5.907 0.000) 11.176 6.305 ( -4.941 -5.060 0.000) 7.072 6.305 ( 4.941 -5.060 0.000) 7.072 6.470 ( -8.618 -1.426 0.000) 8.735 6.470 ( 8.618 -1.426 0.000) 8.735 6.568 ( -7.234 -2.590 0.000) 7.684 6.568 ( 7.234 -2.590 0.000) 7.684 7.065 ( -0.000 -6.030 0.000) 6.030 7.065 ( 0.000 -6.030 0.000) 6.030 7.182 ( -8.226 -1.284 0.000) 8.326 7.182 ( 8.226 -1.284 0.000) 8.326 7.383 ( -5.251 -0.580 0.000) 5.283 7.383 ( 5.251 -0.580 0.000) 5.283 7.594 ( -11.882 -3.005 0.000) 12.256 7.594 ( 11.882 -3.005 0.000) 12.256 7.930 ( -2.851 -1.813 0.000) 3.379 7.930 ( 2.851 -1.813 0.000) 3.379 8.192 ( -4.356 -4.368 0.000) 6.169 8.192 ( 4.356 -4.368 0.000) 6.169 8.280 ( -0.002 5.320 0.000) 5.320 8.280 ( 0.002 5.320 0.000) 5.320 8.412 ( -0.480 -6.814 0.000) 6.831 8.412 ( 0.480 -6.814 0.000) 6.831 8.659 ( -0.292 2.866 0.000) 2.881 8.659 ( 0.292 2.866 0.000) 2.881 8.944 ( -9.365 -0.869 0.000) 9.405 8.944 ( 9.365 -0.869 0.000) 9.405 9.354 ( -16.040 0.987 0.000) 16.071 9.354 ( 16.040 0.987 0.000) 16.071 9.582 ( -2.300 -0.723 0.000) 2.411 9.582 ( 2.300 -0.723 0.000) 2.411 9.750 ( -14.522 -4.369 0.000) 15.165 9.750 ( 14.522 -4.369 0.000) 15.165 9.974 ( -1.107 -1.334 0.000) 1.734 9.974 ( 1.107 -1.334 0.000) 1.734 10.314 ( -4.283 -0.739 0.000) 4.346 10.314 ( 4.283 -0.739 0.000) 4.346 10.505 ( -10.064 -1.643 0.000) 10.197 10.505 ( 10.064 -1.643 0.000) 10.197 10.540 ( -10.237 -3.264 0.000) 10.745 10.540 ( 10.237 -3.264 0.000) 10.745 10.998 ( -0.018 -5.440 0.000) 5.440 10.998 ( 0.018 -5.440 0.000) 5.440 11.026 ( -4.034 -4.922 0.000) 6.364 11.026 ( 4.034 -4.922 0.000) 6.364 11.275 ( -0.043 0.399 0.000) 0.401 11.275 ( 0.043 0.399 0.000) 0.401 11.576 ( -0.921 -3.429 0.000) 3.551 11.576 ( 0.921 -3.429 0.000) 3.551 11.787 ( -8.532 -0.460 0.000) 8.545 11.787 ( 8.532 -0.460 0.000) 8.545 11.909 ( -0.947 -0.176 0.000) 0.963 11.909 ( 0.947 -0.176 0.000) 0.963 12.180 ( -6.456 0.231 0.000) 6.460 12.180 ( 6.456 0.231 0.000) 6.460 12.349 ( -0.474 1.433 0.000) 1.509 12.349 ( 0.474 1.433 0.000) 1.509 12.430 ( -1.513 1.675 0.000) 2.257 12.430 ( 1.513 1.675 0.000) 2.257 12.604 ( -1.303 -0.137 0.000) 1.310 12.604 ( 1.303 -0.137 0.000) 1.310 12.848 ( -2.251 -0.006 0.000) 2.251 12.848 ( 2.251 -0.006 0.000) 2.251 12.915 ( -0.185 -4.301 0.000) 4.305 12.915 ( 0.185 -4.301 0.000) 4.305 13.196 ( -10.635 2.788 0.000) 10.994 13.196 ( 10.635 2.788 0.000) 10.994 13.303 ( -0.033 1.726 0.000) 1.726 13.303 ( 0.033 1.726 0.000) 1.726 13.581 ( -1.388 -3.397 0.000) 3.670 13.581 ( 1.388 -3.397 0.000) 3.670 13.865 ( -5.417 0.348 0.000) 5.428 13.865 ( 5.417 0.348 0.000) 5.428 13.980 ( -8.066 -0.161 0.000) 8.068 13.980 ( 8.066 -0.161 0.000) 8.068 14.632 ( -11.748 4.520 0.000) 12.588 14.632 ( 11.748 4.520 0.000) 12.588 14.956 ( -4.480 0.761 0.000) 4.544 14.956 ( 4.480 0.761 0.000) 4.544 15.050 ( -6.310 0.410 0.000) 6.324 15.050 ( 6.310 0.410 0.000) 6.324 15.296 ( -15.776 -1.236 0.000) 15.824 15.296 ( 15.776 -1.236 0.000) 15.824 15.441 ( -9.937 -3.419 0.000) 10.508 15.441 ( 9.937 -3.419 0.000) 10.508 15.810 ( -0.730 1.049 0.000) 1.278 15.810 ( 0.730 1.049 0.000) 1.278 16.063 ( -8.711 1.795 0.000) 8.894 16.063 ( 8.711 1.795 0.000) 8.894 16.890 ( -0.031 -1.595 0.000) 1.595 16.890 ( 0.031 -1.595 0.000) 1.595 17.214 ( -4.584 0.614 0.000) 4.625 17.214 ( 4.584 0.614 0.000) 4.625 17.471 ( -2.964 0.846 0.000) 3.082 17.471 ( 2.964 0.846 0.000) 3.082 17.502 ( -3.355 3.429 0.000) 4.797 17.502 ( 3.355 3.429 0.000) 4.797 17.801 ( -4.325 2.375 0.000) 4.934 17.801 ( 4.325 2.375 0.000) 4.934 17.995 ( -0.326 -1.687 0.000) 1.718 17.995 ( 0.326 -1.687 0.000) 1.718 18.284 ( -8.693 -2.876 0.000) 9.156 18.284 ( 8.693 -2.876 0.000) 9.156 18.346 ( -14.703 2.584 0.000) 14.928 18.346 ( 14.703 2.584 0.000) 14.928 18.561 ( -0.303 -0.379 0.000) 0.485 18.561 ( 0.303 -0.379 0.000) 0.485 18.600 ( -0.030 1.034 0.000) 1.034 18.600 ( 0.030 1.034 0.000) 1.034 19.002 ( -4.034 -1.064 0.000) 4.172 19.002 ( 4.034 -1.064 0.000) 4.172 19.262 ( -1.032 -1.204 0.000) 1.586 19.262 ( 1.032 -1.204 0.000) 1.586 19.661 ( -4.858 0.354 0.000) 4.870 19.661 ( 4.858 0.354 0.000) 4.870 19.971 ( -0.054 0.811 0.000) 0.813 19.971 ( 0.054 0.811 0.000) 0.813 20.194 ( -11.505 2.344 0.000) 11.742 20.194 ( 11.505 2.344 0.000) 11.742 20.481 ( -8.397 -0.692 0.000) 8.425 20.481 ( 8.397 -0.692 0.000) 8.425 20.603 ( -0.815 -3.771 0.000) 3.858 20.603 ( 0.815 -3.771 0.000) 3.858 20.829 ( -3.622 -0.486 0.000) 3.654 20.829 ( 3.622 -0.486 0.000) 3.654 21.001 ( -7.060 0.745 0.000) 7.100 21.001 ( 7.060 0.745 0.000) 7.100 21.098 ( -6.459 -1.797 0.000) 6.704 21.098 ( 6.459 -1.797 0.000) 6.704 21.723 ( -0.309 1.969 0.000) 1.993 21.723 ( 0.309 1.969 0.000) 1.993 22.304 ( -1.640 -0.759 0.000) 1.807 22.304 ( 1.640 -0.759 0.000) 1.807 22.701 ( -4.646 1.405 0.000) 4.854 22.701 ( 4.646 1.405 0.000) 4.854 22.849 ( -3.239 -0.236 0.000) 3.248 22.849 ( 3.239 -0.236 0.000) 3.248 23.049 ( -14.244 2.106 0.000) 14.399 23.049 ( 14.244 2.106 0.000) 14.399 23.194 ( -8.813 -2.930 0.000) 9.287 23.194 ( 8.813 -2.930 0.000) 9.287 23.587 ( -1.473 0.431 0.000) 1.535 23.587 ( 1.473 0.431 0.000) 1.535 23.614 ( -0.547 1.066 0.000) 1.198 23.614 ( 0.547 1.066 0.000) 1.198 23.995 ( -7.093 0.464 0.000) 7.108 23.995 ( 7.093 0.464 0.000) 7.108 24.282 ( -3.494 3.016 0.000) 4.616 24.282 ( 3.494 3.016 0.000) 4.616 24.858 ( -17.027 1.424 0.000) 17.087 24.858 ( 17.027 1.424 0.000) 17.087 25.149 ( -0.197 -7.779 0.000) 7.781 25.149 ( 0.197 -7.779 0.000) 7.781 25.376 ( -12.564 0.690 0.000) 12.583 25.376 ( 12.564 0.690 0.000) 12.583 25.671 ( -1.874 0.148 0.000) 1.880 25.671 ( 1.874 0.148 0.000) 1.880 25.911 ( -26.182 -4.943 0.000) 26.644 25.911 ( 26.182 -4.943 0.000) 26.644 26.319 ( -23.787 -6.665 0.000) 24.703 26.319 ( 23.787 -6.665 0.000) 24.703 26.373 ( -26.144 -10.713 0.000) 28.254 26.373 ( 26.144 -10.713 0.000) 28.254 27.192 ( -23.780 -4.163 0.000) 24.141 27.192 ( 23.780 -4.163 0.000) 24.141 27.424 ( -0.030 -1.226 0.000) 1.227 27.424 ( 0.030 -1.226 0.000) 1.227 28.009 ( -5.243 -0.526 0.000) 5.269 28.009 ( 5.243 -0.526 0.000) 5.269 28.224 ( -4.343 -5.848 0.000) 7.284 28.224 ( 4.343 -5.848 0.000) 7.284 28.644 ( -14.645 -1.576 0.000) 14.729 28.644 ( 14.645 -1.576 0.000) 14.729 29.155 ( -14.686 -6.119 0.000) 15.910 29.155 ( 14.686 -6.119 0.000) 15.910 29.289 ( -5.248 -2.419 0.000) 5.778 29.289 ( 5.248 -2.419 0.000) 5.778 29.870 ( -7.760 -0.997 0.000) 7.823 29.870 ( 7.760 -0.997 0.000) 7.823 30.348 ( -12.303 -1.129 0.000) 12.354 30.348 ( 12.303 -1.129 0.000) 12.354 30.480 ( -1.764 -5.969 0.000) 6.225 30.480 ( 1.764 -5.969 0.000) 6.225 30.706 ( -3.764 -2.029 0.000) 4.276 30.706 ( 3.764 -2.029 0.000) 4.276 30.855 ( -9.832 -5.206 0.000) 11.125 30.855 ( 9.832 -5.206 0.000) 11.125 31.288 ( -8.383 -3.651 0.000) 9.143 31.288 ( 8.383 -3.651 0.000) 9.143 31.324 ( -0.480 -2.181 0.000) 2.233 31.324 ( 0.480 -2.181 0.000) 2.233 31.764 ( -0.790 -9.491 0.000) 9.524 31.764 ( 0.790 -9.491 0.000) 9.524 32.008 ( -3.447 -4.759 0.000) 5.877 32.008 ( 3.447 -4.759 0.000) 5.877 32.482 ( -13.084 -1.650 0.000) 13.188 32.482 ( 13.084 -1.650 0.000) 13.188 33.025 ( -5.492 -1.326 0.000) 5.650 33.025 ( 5.492 -1.326 0.000) 5.650 33.876 ( -0.066 1.568 0.000) 1.569 33.876 ( 0.066 1.568 0.000) 1.569 34.149 ( -0.077 -3.858 0.000) 3.859 34.149 ( 0.077 -3.858 0.000) 3.859 36.183 ( -48.694 -10.686 0.000) 49.853 36.183 ( 48.694 -10.686 0.000) 49.853 ======================= Grid point 20 (13/54) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.112 ( 0.000 12.312 0.000) 12.312 2.145 ( 0.000 18.594 0.000) 18.594 2.409 ( 0.000 -3.147 0.000) 3.147 2.595 ( 0.000 15.902 0.000) 15.902 2.863 ( 0.000 8.714 0.000) 8.714 2.871 ( 0.000 1.198 0.000) 1.198 2.979 ( 0.000 15.094 0.000) 15.094 3.004 ( 0.000 -1.427 0.000) 1.427 3.044 ( 0.000 2.455 0.000) 2.455 3.094 ( 0.000 -5.307 0.000) 5.307 3.112 ( 0.000 -7.354 0.000) 7.354 3.151 ( 0.000 6.048 0.000) 6.048 3.185 ( 0.000 11.933 0.000) 11.933 3.257 ( 0.000 3.157 0.000) 3.157 3.314 ( 0.000 -0.845 0.000) 0.845 3.401 ( 0.000 8.888 0.000) 8.888 3.418 ( 0.000 3.606 0.000) 3.606 3.446 ( 0.000 0.156 0.000) 0.156 3.516 ( 0.000 -0.274 0.000) 0.274 3.545 ( 0.000 1.425 0.000) 1.425 3.601 ( 0.000 0.721 0.000) 0.721 3.714 ( 0.000 -5.394 0.000) 5.394 3.882 ( 0.000 17.368 0.000) 17.368 3.953 ( 0.000 -2.875 0.000) 2.875 4.164 ( 0.000 -9.492 0.000) 9.492 4.181 ( 0.000 -9.939 0.000) 9.939 4.202 ( 0.000 7.986 0.000) 7.986 4.292 ( 0.000 -4.355 0.000) 4.355 4.414 ( 0.000 1.129 0.000) 1.129 4.629 ( 0.000 -0.869 0.000) 0.869 4.631 ( 0.000 -8.866 0.000) 8.866 5.000 ( 0.000 1.464 0.000) 1.464 5.020 ( 0.000 -5.818 0.000) 5.818 5.156 ( 0.000 -3.061 0.000) 3.061 5.756 ( 0.000 0.516 0.000) 0.516 5.876 ( 0.000 -2.751 0.000) 2.751 5.943 ( 0.000 -0.762 0.000) 0.762 6.155 ( 0.000 -1.093 0.000) 1.093 6.263 ( 0.000 -4.512 0.000) 4.512 6.299 ( 0.000 -4.615 0.000) 4.615 6.340 ( 0.000 -9.439 0.000) 9.439 6.573 ( 0.000 1.584 0.000) 1.584 6.669 ( 0.000 -3.545 0.000) 3.545 6.711 ( 0.000 -1.922 0.000) 1.922 7.006 ( 0.000 -4.324 0.000) 4.324 7.043 ( 0.000 -2.451 0.000) 2.451 7.492 ( 0.000 -4.892 0.000) 4.892 7.544 ( 0.000 4.016 0.000) 4.016 7.562 ( 0.000 -1.048 0.000) 1.048 7.648 ( 0.000 -4.053 0.000) 4.053 7.867 ( 0.000 -1.618 0.000) 1.618 8.031 ( 0.000 0.324 0.000) 0.324 8.086 ( 0.000 -0.999 0.000) 0.999 8.267 ( 0.000 0.241 0.000) 0.241 8.302 ( 0.000 -21.563 0.000) 21.563 8.408 ( 0.000 -6.949 0.000) 6.949 8.410 ( 0.000 2.500 0.000) 2.500 8.651 ( 0.000 2.765 0.000) 2.765 8.680 ( 0.000 4.373 0.000) 4.373 8.725 ( 0.000 -0.382 0.000) 0.382 8.928 ( 0.000 -0.243 0.000) 0.243 9.098 ( 0.000 1.693 0.000) 1.693 9.236 ( 0.000 -1.725 0.000) 1.725 9.480 ( 0.000 -2.154 0.000) 2.154 9.635 ( 0.000 -2.708 0.000) 2.708 9.763 ( 0.000 -0.823 0.000) 0.823 9.783 ( 0.000 4.617 0.000) 4.617 9.845 ( 0.000 0.188 0.000) 0.188 9.971 ( 0.000 -1.515 0.000) 1.515 10.112 ( 0.000 -4.894 0.000) 4.894 10.128 ( 0.000 0.863 0.000) 0.863 10.265 ( 0.000 -2.101 0.000) 2.101 10.268 ( 0.000 -4.023 0.000) 4.023 10.514 ( 0.000 -0.827 0.000) 0.827 10.695 ( 0.000 -5.972 0.000) 5.972 10.712 ( 0.000 -4.518 0.000) 4.518 10.913 ( 0.000 -2.161 0.000) 2.161 10.984 ( 0.000 -1.820 0.000) 1.820 11.037 ( 0.000 -0.131 0.000) 0.131 11.051 ( 0.000 -5.608 0.000) 5.608 11.100 ( 0.000 -0.129 0.000) 0.129 11.151 ( 0.000 0.892 0.000) 0.892 11.283 ( 0.000 -1.154 0.000) 1.154 11.343 ( 0.000 -0.652 0.000) 0.652 11.409 ( 0.000 0.493 0.000) 0.493 11.877 ( 0.000 -1.459 0.000) 1.459 11.973 ( 0.000 -0.461 0.000) 0.461 12.039 ( 0.000 0.743 0.000) 0.743 12.130 ( 0.000 -2.592 0.000) 2.592 12.196 ( 0.000 -0.338 0.000) 0.338 12.243 ( 0.000 3.403 0.000) 3.403 12.262 ( 0.000 1.472 0.000) 1.472 12.292 ( 0.000 0.696 0.000) 0.696 12.581 ( 0.000 -0.642 0.000) 0.642 12.718 ( 0.000 1.259 0.000) 1.259 12.721 ( 0.000 0.930 0.000) 0.930 12.743 ( 0.000 -1.118 0.000) 1.118 12.848 ( 0.000 -6.453 0.000) 6.453 12.865 ( 0.000 3.433 0.000) 3.433 12.946 ( 0.000 -0.888 0.000) 0.888 12.968 ( 0.000 0.433 0.000) 0.433 13.140 ( 0.000 -5.526 0.000) 5.526 13.167 ( 0.000 -1.914 0.000) 1.914 13.354 ( 0.000 -3.408 0.000) 3.408 13.395 ( 0.000 -2.583 0.000) 2.583 13.592 ( 0.000 2.974 0.000) 2.974 13.698 ( 0.000 3.351 0.000) 3.351 13.731 ( 0.000 -1.166 0.000) 1.166 13.918 ( 0.000 0.185 0.000) 0.185 14.179 ( 0.000 4.091 0.000) 4.091 14.216 ( 0.000 0.911 0.000) 0.911 14.525 ( 0.000 0.236 0.000) 0.236 14.578 ( 0.000 0.534 0.000) 0.534 14.909 ( 0.000 5.142 0.000) 5.142 15.288 ( 0.000 -3.117 0.000) 3.117 15.369 ( 0.000 -6.113 0.000) 6.113 15.392 ( 0.000 0.499 0.000) 0.499 15.621 ( 0.000 -1.610 0.000) 1.610 15.663 ( 0.000 5.589 0.000) 5.589 15.740 ( 0.000 0.513 0.000) 0.513 15.872 ( 0.000 -1.288 0.000) 1.288 15.887 ( 0.000 4.522 0.000) 4.522 16.380 ( 0.000 -0.437 0.000) 0.437 16.484 ( 0.000 1.904 0.000) 1.904 16.531 ( 0.000 -2.209 0.000) 2.209 16.848 ( 0.000 0.375 0.000) 0.375 17.145 ( 0.000 1.982 0.000) 1.982 17.200 ( 0.000 1.222 0.000) 1.222 17.372 ( 0.000 3.916 0.000) 3.916 17.384 ( 0.000 1.556 0.000) 1.556 17.423 ( 0.000 -0.001 0.000) 0.001 17.515 ( 0.000 -0.935 0.000) 0.935 17.731 ( 0.000 -0.091 0.000) 0.091 17.873 ( 0.000 -0.424 0.000) 0.424 17.944 ( 0.000 -0.225 0.000) 0.225 17.987 ( 0.000 -1.174 0.000) 1.174 18.160 ( 0.000 -0.308 0.000) 0.308 18.260 ( 0.000 1.008 0.000) 1.008 18.343 ( 0.000 0.094 0.000) 0.094 18.559 ( 0.000 1.751 0.000) 1.751 18.567 ( 0.000 -0.177 0.000) 0.177 18.625 ( 0.000 -0.227 0.000) 0.227 18.629 ( 0.000 -0.056 0.000) 0.056 18.730 ( 0.000 0.085 0.000) 0.085 18.952 ( 0.000 0.808 0.000) 0.808 19.035 ( 0.000 -0.739 0.000) 0.739 19.178 ( 0.000 -0.296 0.000) 0.296 19.243 ( 0.000 -0.380 0.000) 0.380 19.245 ( 0.000 -0.604 0.000) 0.604 19.611 ( 0.000 1.647 0.000) 1.647 19.662 ( 0.000 0.524 0.000) 0.524 19.731 ( 0.000 0.084 0.000) 0.084 20.026 ( 0.000 0.285 0.000) 0.285 20.484 ( 0.000 -1.002 0.000) 1.002 20.590 ( 0.000 -2.236 0.000) 2.236 20.596 ( 0.000 -0.812 0.000) 0.812 20.659 ( 0.000 3.681 0.000) 3.681 20.681 ( 0.000 -2.102 0.000) 2.102 20.830 ( 0.000 0.861 0.000) 0.861 20.860 ( 0.000 1.403 0.000) 1.403 20.957 ( 0.000 -2.168 0.000) 2.168 21.020 ( 0.000 0.703 0.000) 0.703 21.168 ( 0.000 -1.538 0.000) 1.538 21.285 ( 0.000 1.423 0.000) 1.423 21.903 ( 0.000 -0.221 0.000) 0.221 22.031 ( 0.000 -2.954 0.000) 2.954 22.156 ( 0.000 0.422 0.000) 0.422 22.241 ( 0.000 1.358 0.000) 1.358 22.411 ( 0.000 1.532 0.000) 1.532 22.504 ( 0.000 1.589 0.000) 1.589 22.717 ( 0.000 -1.157 0.000) 1.157 22.812 ( 0.000 1.252 0.000) 1.252 22.855 ( 0.000 -2.074 0.000) 2.074 23.126 ( 0.000 1.608 0.000) 1.608 23.388 ( 0.000 1.842 0.000) 1.842 23.650 ( 0.000 0.671 0.000) 0.671 23.660 ( 0.000 1.851 0.000) 1.851 23.698 ( 0.000 0.865 0.000) 0.865 23.717 ( 0.000 0.304 0.000) 0.304 24.005 ( 0.000 4.539 0.000) 4.539 24.014 ( 0.000 0.107 0.000) 0.107 24.049 ( 0.000 1.712 0.000) 1.712 24.224 ( 0.000 -0.050 0.000) 0.050 24.233 ( 0.000 -0.177 0.000) 0.177 24.372 ( 0.000 -0.150 0.000) 0.150 24.487 ( 0.000 0.233 0.000) 0.233 24.674 ( 0.000 0.839 0.000) 0.839 24.783 ( 0.000 -3.298 0.000) 3.298 24.818 ( 0.000 -1.614 0.000) 1.614 25.529 ( 0.000 2.032 0.000) 2.032 25.597 ( 0.000 0.093 0.000) 0.093 25.707 ( 0.000 -2.339 0.000) 2.339 25.899 ( 0.000 -1.276 0.000) 1.276 25.952 ( 0.000 1.406 0.000) 1.406 26.104 ( 0.000 -0.961 0.000) 0.961 26.114 ( 0.000 0.085 0.000) 0.085 26.290 ( 0.000 0.079 0.000) 0.079 27.264 ( 0.000 -1.062 0.000) 1.062 27.428 ( 0.000 -0.119 0.000) 0.119 27.471 ( 0.000 -2.835 0.000) 2.835 27.590 ( 0.000 -6.534 0.000) 6.534 27.621 ( 0.000 -7.002 0.000) 7.002 27.717 ( 0.000 -7.270 0.000) 7.270 27.876 ( 0.000 -0.014 0.000) 0.014 28.248 ( 0.000 -9.023 0.000) 9.023 28.280 ( 0.000 -0.298 0.000) 0.298 28.445 ( 0.000 -1.167 0.000) 1.167 28.508 ( 0.000 -4.010 0.000) 4.010 28.737 ( 0.000 -0.632 0.000) 0.632 28.945 ( 0.000 -0.668 0.000) 0.668 29.322 ( 0.000 -2.070 0.000) 2.070 29.592 ( 0.000 -4.807 0.000) 4.807 29.614 ( 0.000 -0.276 0.000) 0.276 29.877 ( 0.000 -1.081 0.000) 1.081 29.988 ( 0.000 -0.851 0.000) 0.851 30.298 ( 0.000 -5.500 0.000) 5.500 30.442 ( 0.000 -5.148 0.000) 5.148 30.525 ( 0.000 -2.105 0.000) 2.105 30.587 ( 0.000 -0.851 0.000) 0.851 30.642 ( 0.000 -0.154 0.000) 0.154 30.774 ( 0.000 0.444 0.000) 0.444 30.882 ( 0.000 -2.428 0.000) 2.428 31.040 ( 0.000 -4.817 0.000) 4.817 31.192 ( 0.000 -0.052 0.000) 0.052 31.208 ( 0.000 -3.902 0.000) 3.902 31.460 ( 0.000 -2.186 0.000) 2.186 31.622 ( 0.000 -4.915 0.000) 4.915 31.672 ( 0.000 -3.568 0.000) 3.568 31.981 ( 0.000 -2.144 0.000) 2.144 32.027 ( 0.000 -4.886 0.000) 4.886 32.399 ( 0.000 -0.860 0.000) 0.860 32.443 ( 0.000 -2.537 0.000) 2.537 33.149 ( 0.000 -0.885 0.000) 0.885 33.396 ( 0.000 -4.599 0.000) 4.599 33.571 ( 0.000 -3.701 0.000) 3.701 33.601 ( 0.000 -1.718 0.000) 1.718 33.807 ( 0.000 -1.528 0.000) 1.528 34.213 ( 0.000 -6.805 0.000) 6.805 35.087 ( 0.000 -1.851 0.000) 1.851 36.818 ( 0.000 -29.614 0.000) 29.614 ======================= Grid point 21 (14/54) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 7.680 12.368 0.000) 14.558 2.293 ( 11.324 12.965 0.000) 17.214 2.463 ( 4.600 -2.934 0.000) 5.456 2.607 ( 1.226 15.324 0.000) 15.372 2.689 ( -12.173 14.439 0.000) 18.885 2.832 ( -6.538 -1.633 0.000) 6.738 2.996 ( 0.014 -3.885 0.000) 3.885 3.038 ( 2.741 2.285 0.000) 3.568 3.078 ( 3.070 7.380 0.000) 7.993 3.099 ( 0.614 1.155 0.000) 1.308 3.149 ( 5.374 0.658 0.000) 5.414 3.161 ( 0.506 1.869 0.000) 1.936 3.200 ( -2.032 4.310 0.000) 4.765 3.290 ( 1.950 1.192 0.000) 2.285 3.301 ( 0.287 -0.143 0.000) 0.321 3.374 ( -2.933 3.388 0.000) 4.481 3.412 ( 2.020 7.903 0.000) 8.157 3.491 ( -1.936 1.743 0.000) 2.605 3.501 ( 2.418 1.625 0.000) 2.914 3.568 ( -2.565 3.032 0.000) 3.971 3.569 ( 6.488 8.197 0.000) 10.454 3.795 ( 5.486 -3.983 0.000) 6.779 3.923 ( 3.382 1.072 0.000) 3.548 4.035 ( 7.122 4.950 0.000) 8.673 4.134 ( -7.045 3.915 0.000) 8.060 4.178 ( 0.600 -4.269 0.000) 4.311 4.204 ( 3.298 -7.735 0.000) 8.409 4.317 ( 0.536 -6.245 0.000) 6.268 4.372 ( -5.278 5.916 0.000) 7.928 4.478 ( -12.791 -1.494 0.000) 12.878 4.650 ( 2.615 -6.122 0.000) 6.657 4.784 ( -7.669 0.779 0.000) 7.709 5.201 ( 6.920 -4.703 0.000) 8.366 5.269 ( 9.968 -4.732 0.000) 11.034 5.604 ( -12.702 0.363 0.000) 12.707 5.750 ( -10.937 -4.085 0.000) 11.675 6.188 ( 0.934 -2.850 0.000) 2.999 6.192 ( 15.105 -2.889 0.000) 15.379 6.212 ( 3.780 -2.049 0.000) 4.300 6.328 ( 5.781 -3.581 0.000) 6.801 6.454 ( 12.037 -5.331 0.000) 13.164 6.589 ( -1.389 -2.874 0.000) 3.192 6.808 ( 12.969 -1.698 0.000) 13.079 6.833 ( -11.466 -5.333 0.000) 12.646 6.919 ( 13.723 -1.731 0.000) 13.831 7.082 ( 3.093 -3.771 0.000) 4.878 7.296 ( -9.600 -1.347 0.000) 9.694 7.541 ( -5.183 -2.526 0.000) 5.766 7.620 ( 9.911 -2.590 0.000) 10.243 7.778 ( -14.139 2.265 0.000) 14.319 7.854 ( 7.821 1.505 0.000) 7.965 7.925 ( 3.136 -2.584 0.000) 4.064 8.051 ( -5.252 -2.833 0.000) 5.968 8.137 ( -8.839 -16.949 0.000) 19.116 8.280 ( -2.072 -4.403 0.000) 4.867 8.360 ( -4.206 0.419 0.000) 4.227 8.389 ( -1.732 -0.382 0.000) 1.774 8.667 ( -2.983 3.001 0.000) 4.231 8.685 ( 3.960 1.842 0.000) 4.367 8.688 ( -23.950 -1.694 0.000) 24.010 8.987 ( 17.673 1.138 0.000) 17.710 9.204 ( 14.231 -3.073 0.000) 14.559 9.217 ( -37.862 -1.735 0.000) 37.901 9.312 ( -8.861 -1.212 0.000) 8.943 9.589 ( 12.698 -0.521 0.000) 12.709 9.620 ( -3.421 -2.488 0.000) 4.230 9.650 ( -5.197 1.516 0.000) 5.414 9.691 ( -6.749 4.399 0.000) 8.056 9.995 ( -3.651 -3.954 0.000) 5.382 9.999 ( 6.858 -1.347 0.000) 6.989 10.094 ( 1.152 -4.045 0.000) 4.206 10.215 ( 9.193 0.960 0.000) 9.243 10.403 ( -1.613 -0.015 0.000) 1.613 10.584 ( -17.213 -2.065 0.000) 17.337 10.709 ( -10.184 -0.372 0.000) 10.191 10.765 ( -5.355 -5.894 0.000) 7.963 10.770 ( 5.938 -6.242 0.000) 8.615 10.945 ( -15.923 -1.072 0.000) 15.959 10.955 ( -0.294 -2.428 0.000) 2.446 11.075 ( -5.569 -1.112 0.000) 5.679 11.136 ( 25.109 -1.837 0.000) 25.176 11.229 ( 4.141 0.752 0.000) 4.209 11.302 ( 10.045 -1.856 0.000) 10.215 11.487 ( 6.371 -1.295 0.000) 6.501 11.565 ( 10.003 -0.521 0.000) 10.016 11.897 ( -1.168 0.611 0.000) 1.319 11.953 ( -4.349 1.825 0.000) 4.717 11.986 ( -0.752 -1.176 0.000) 1.396 12.156 ( -0.740 -1.346 0.000) 1.536 12.214 ( 1.854 -4.389 0.000) 4.765 12.322 ( 3.871 0.586 0.000) 3.915 12.323 ( 5.558 2.546 0.000) 6.114 12.407 ( -9.601 0.359 0.000) 9.607 12.469 ( 12.669 3.281 0.000) 13.087 12.620 ( -3.581 1.272 0.000) 3.800 12.665 ( -4.004 2.080 0.000) 4.512 12.770 ( -3.348 -6.052 0.000) 6.916 12.877 ( -2.415 -2.855 0.000) 3.739 12.880 ( 0.396 -0.402 0.000) 0.564 12.912 ( 0.499 0.385 0.000) 0.630 13.071 ( -2.577 2.452 0.000) 3.557 13.135 ( 9.851 -4.063 0.000) 10.656 13.252 ( 9.084 -0.588 0.000) 9.103 13.375 ( 3.734 -4.379 0.000) 5.755 13.383 ( 2.409 1.429 0.000) 2.800 13.629 ( -2.782 0.466 0.000) 2.821 13.658 ( 8.702 -1.791 0.000) 8.884 13.808 ( 7.018 3.117 0.000) 7.679 14.072 ( -8.785 1.054 0.000) 8.848 14.158 ( -5.823 3.119 0.000) 6.606 14.360 ( 25.209 1.464 0.000) 25.252 14.616 ( 10.115 -1.412 0.000) 10.213 14.705 ( 14.196 0.105 0.000) 14.196 14.881 ( -2.532 4.308 0.000) 4.997 15.131 ( -8.343 -2.623 0.000) 8.745 15.168 ( -11.867 -1.231 0.000) 11.931 15.323 ( -6.891 -4.266 0.000) 8.104 15.486 ( -16.646 5.081 0.000) 17.404 15.705 ( -9.438 -0.334 0.000) 9.444 15.744 ( -13.511 3.217 0.000) 13.888 15.780 ( 4.659 1.078 0.000) 4.782 15.881 ( 8.204 -1.829 0.000) 8.405 16.022 ( -23.624 -1.992 0.000) 23.708 16.389 ( -23.293 1.161 0.000) 23.322 16.649 ( 18.355 -1.406 0.000) 18.408 16.804 ( 8.172 1.017 0.000) 8.235 17.171 ( -0.337 1.527 0.000) 1.564 17.330 ( -2.099 0.128 0.000) 2.103 17.398 ( 5.447 4.270 0.000) 6.921 17.427 ( 0.165 -2.139 0.000) 2.145 17.476 ( 4.895 0.453 0.000) 4.916 17.615 ( 6.418 0.812 0.000) 6.469 17.748 ( 3.616 2.530 0.000) 4.414 17.971 ( -1.122 -1.280 0.000) 1.703 17.983 ( 10.493 -0.042 0.000) 10.493 17.997 ( 3.437 -1.235 0.000) 3.652 18.062 ( -8.606 1.642 0.000) 8.761 18.119 ( -3.479 -0.845 0.000) 3.580 18.401 ( 1.219 0.297 0.000) 1.254 18.522 ( -5.896 0.662 0.000) 5.933 18.571 ( -0.073 0.045 0.000) 0.086 18.585 ( 1.312 1.131 0.000) 1.732 18.649 ( 0.037 0.694 0.000) 0.695 18.760 ( -14.605 0.124 0.000) 14.606 18.812 ( 7.712 -0.610 0.000) 7.736 19.065 ( 0.533 -0.715 0.000) 0.892 19.194 ( 0.891 -1.245 0.000) 1.531 19.257 ( 0.505 -0.877 0.000) 1.012 19.446 ( 15.137 0.514 0.000) 15.145 19.641 ( 3.616 0.466 0.000) 3.646 19.843 ( 14.899 0.654 0.000) 14.913 19.872 ( 10.118 0.900 0.000) 10.158 20.037 ( 2.452 0.628 0.000) 2.531 20.460 ( -8.846 -0.382 0.000) 8.854 20.469 ( -9.284 1.654 0.000) 9.430 20.525 ( -0.873 -1.162 0.000) 1.454 20.578 ( -1.343 -2.401 0.000) 2.751 20.688 ( 2.354 0.535 0.000) 2.414 20.754 ( -9.118 -0.911 0.000) 9.163 20.908 ( 2.787 1.172 0.000) 3.024 20.984 ( -9.394 -0.684 0.000) 9.419 21.007 ( -0.618 -1.039 0.000) 1.209 21.045 ( 1.147 -1.532 0.000) 1.914 21.255 ( -5.272 0.899 0.000) 5.348 21.930 ( -16.313 1.003 0.000) 16.344 21.962 ( -15.194 1.692 0.000) 15.287 22.098 ( 8.195 -1.176 0.000) 8.279 22.109 ( 15.878 -0.041 0.000) 15.878 22.618 ( 8.136 0.912 0.000) 8.187 22.717 ( 17.094 1.563 0.000) 17.165 22.763 ( 6.587 -0.757 0.000) 6.630 22.860 ( 1.489 0.951 0.000) 1.767 22.934 ( 1.853 -1.658 0.000) 2.486 23.000 ( -5.981 0.937 0.000) 6.054 23.319 ( -6.913 1.989 0.000) 7.193 23.443 ( -17.673 -0.160 0.000) 17.674 23.600 ( -3.140 0.647 0.000) 3.206 23.653 ( -1.654 1.499 0.000) 2.232 23.745 ( -4.132 0.580 0.000) 4.172 23.782 ( -15.192 -0.324 0.000) 15.196 23.885 ( 1.435 2.662 0.000) 3.024 24.155 ( 5.191 2.084 0.000) 5.594 24.209 ( -5.428 0.382 0.000) 5.442 24.434 ( -2.352 2.565 0.000) 3.480 24.519 ( 17.920 0.065 0.000) 17.920 24.614 ( 27.599 -2.449 0.000) 27.708 24.920 ( 10.211 -2.994 0.000) 10.641 24.988 ( 20.626 1.154 0.000) 20.658 25.110 ( 24.503 -2.239 0.000) 24.605 25.277 ( -11.900 -0.045 0.000) 11.900 25.576 ( -2.672 0.180 0.000) 2.678 25.676 ( -1.651 -1.473 0.000) 2.213 25.833 ( -10.816 0.888 0.000) 10.852 25.867 ( -0.508 -1.584 0.000) 1.664 26.114 ( -1.384 -0.119 0.000) 1.389 26.288 ( -0.163 -0.040 0.000) 0.168 26.517 ( 30.806 -1.440 0.000) 30.839 26.797 ( -36.976 -3.849 0.000) 37.176 27.019 ( -44.221 -10.181 0.000) 45.378 27.390 ( -2.476 -1.195 0.000) 2.749 27.423 ( -0.516 -0.095 0.000) 0.525 27.504 ( -7.395 -6.323 0.000) 9.730 27.915 ( 3.777 0.039 0.000) 3.777 28.085 ( -1.482 -1.660 0.000) 2.225 28.141 ( 0.731 -3.578 0.000) 3.652 28.282 ( 9.751 -1.236 0.000) 9.829 28.304 ( -12.722 -4.037 0.000) 13.347 28.703 ( 18.099 -3.703 0.000) 18.473 28.859 ( -8.489 -0.658 0.000) 8.515 28.959 ( 14.262 -1.364 0.000) 14.327 29.354 ( -0.509 -2.334 0.000) 2.389 29.427 ( -14.770 -4.598 0.000) 15.469 29.698 ( 7.473 -0.268 0.000) 7.478 29.959 ( -3.242 -0.912 0.000) 3.368 30.019 ( 13.921 -1.381 0.000) 13.989 30.332 ( 2.759 -4.746 0.000) 5.490 30.424 ( -1.754 -4.229 0.000) 4.579 30.509 ( -6.253 -0.815 0.000) 6.306 30.582 ( 5.675 -2.579 0.000) 6.234 30.634 ( 0.702 -1.094 0.000) 1.300 30.775 ( -3.711 -1.031 0.000) 3.852 30.958 ( 2.856 -0.581 0.000) 2.915 31.067 ( -4.523 -4.181 0.000) 6.159 31.147 ( 8.942 -3.545 0.000) 9.619 31.254 ( 3.838 -1.215 0.000) 4.026 31.407 ( -5.589 -1.903 0.000) 5.904 31.600 ( -1.837 -5.405 0.000) 5.708 31.733 ( 0.041 -2.519 0.000) 2.519 31.823 ( -4.171 -6.035 0.000) 7.336 32.130 ( -12.842 -2.355 0.000) 13.056 32.190 ( 10.226 -2.194 0.000) 10.459 32.714 ( 9.723 -0.594 0.000) 9.741 32.923 ( -21.654 -3.781 0.000) 21.981 33.114 ( -3.846 -1.230 0.000) 4.038 33.711 ( 9.855 -1.652 0.000) 9.993 33.814 ( 5.202 -0.358 0.000) 5.214 33.975 ( 11.054 -6.548 0.000) 12.848 34.150 ( -5.901 -6.206 0.000) 8.563 35.286 ( 22.185 -4.935 0.000) 22.727 36.551 ( -25.872 -24.862 0.000) 35.882 ======================= Grid point 22 (15/54) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -3.920 11.195 0.000) 11.862 2.390 ( 3.921 11.195 0.000) 11.862 2.499 ( -0.049 8.706 0.000) 8.706 2.499 ( 0.049 8.706 0.000) 8.706 2.683 ( -6.774 3.524 0.000) 7.636 2.683 ( 6.774 3.524 0.000) 7.636 3.035 ( -0.576 0.101 0.000) 0.585 3.035 ( 0.576 0.101 0.000) 0.585 3.106 ( -0.019 0.336 0.000) 0.336 3.106 ( 0.019 0.336 0.000) 0.336 3.148 ( -0.722 2.287 0.000) 2.398 3.148 ( 0.722 2.287 0.000) 2.398 3.294 ( -0.998 -0.287 0.000) 1.038 3.294 ( 0.998 -0.287 0.000) 1.038 3.321 ( -2.787 1.615 0.000) 3.221 3.321 ( 2.787 1.615 0.000) 3.221 3.449 ( -1.454 7.325 0.000) 7.468 3.449 ( 1.454 7.325 0.000) 7.468 3.530 ( -0.321 4.797 0.000) 4.808 3.530 ( 0.321 4.797 0.000) 4.808 3.790 ( -6.632 5.920 0.000) 8.890 3.790 ( 6.632 5.920 0.000) 8.890 3.977 ( -1.298 -3.968 0.000) 4.175 3.977 ( 1.298 -3.968 0.000) 4.175 4.208 ( -7.424 -2.480 0.000) 7.828 4.208 ( 7.424 -2.480 0.000) 7.828 4.241 ( -3.108 7.691 0.000) 8.296 4.241 ( 3.108 7.691 0.000) 8.296 4.292 ( -0.320 -5.900 0.000) 5.908 4.292 ( 0.320 -5.900 0.000) 5.908 4.709 ( -1.984 -1.391 0.000) 2.423 4.709 ( 1.984 -1.391 0.000) 2.423 5.358 ( -6.534 -1.437 0.000) 6.690 5.358 ( 6.534 -1.437 0.000) 6.690 5.499 ( -10.104 -6.257 0.000) 11.884 5.499 ( 10.104 -6.257 0.000) 11.884 6.215 ( -2.126 -3.682 0.000) 4.251 6.215 ( 2.126 -3.682 0.000) 4.251 6.405 ( -8.933 -3.962 0.000) 9.772 6.405 ( 8.933 -3.962 0.000) 9.772 6.555 ( -1.356 -0.028 0.000) 1.357 6.555 ( 1.356 -0.028 0.000) 1.357 6.943 ( -0.566 -5.762 0.000) 5.789 6.943 ( 0.566 -5.762 0.000) 5.789 7.134 ( -1.315 -3.229 0.000) 3.486 7.134 ( 1.315 -3.229 0.000) 3.486 7.370 ( -9.977 -0.594 0.000) 9.995 7.370 ( 9.977 -0.594 0.000) 9.995 7.539 ( -3.615 -2.609 0.000) 4.459 7.539 ( 3.615 -2.609 0.000) 4.459 7.907 ( -9.471 -0.924 0.000) 9.516 7.907 ( 9.471 -0.924 0.000) 9.516 8.043 ( -0.044 -8.584 0.000) 8.584 8.043 ( 0.044 -8.584 0.000) 8.584 8.299 ( -6.090 -3.323 0.000) 6.938 8.299 ( 6.090 -3.323 0.000) 6.938 8.334 ( -0.525 -0.362 0.000) 0.638 8.334 ( 0.525 -0.362 0.000) 0.638 8.722 ( -0.111 3.060 0.000) 3.062 8.722 ( 0.111 3.060 0.000) 3.062 8.934 ( -6.056 -0.236 0.000) 6.060 8.934 ( 6.056 -0.236 0.000) 6.060 9.375 ( -15.820 0.811 0.000) 15.841 9.375 ( 15.820 0.811 0.000) 15.841 9.571 ( -1.060 -0.060 0.000) 1.061 9.571 ( 1.060 -0.060 0.000) 1.061 9.685 ( -4.996 -2.232 0.000) 5.472 9.685 ( 4.996 -2.232 0.000) 5.472 9.955 ( -1.850 -0.485 0.000) 1.913 9.955 ( 1.850 -0.485 0.000) 1.913 10.278 ( -9.616 -2.639 0.000) 9.971 10.278 ( 9.616 -2.639 0.000) 9.971 10.474 ( -6.869 -1.747 0.000) 7.087 10.474 ( 6.869 -1.747 0.000) 7.087 10.501 ( -13.785 -0.167 0.000) 13.786 10.501 ( 13.785 -0.167 0.000) 13.786 10.861 ( -0.055 -6.807 0.000) 6.807 10.861 ( 0.055 -6.807 0.000) 6.807 10.976 ( -0.603 -1.364 0.000) 1.492 10.976 ( 0.603 -1.364 0.000) 1.492 11.290 ( -0.120 0.998 0.000) 1.005 11.290 ( 0.120 0.998 0.000) 1.005 11.521 ( -3.353 -2.166 0.000) 3.991 11.521 ( 3.353 -2.166 0.000) 3.991 11.785 ( -9.314 0.209 0.000) 9.316 11.785 ( 9.314 0.209 0.000) 9.316 11.917 ( -0.088 1.263 0.000) 1.266 11.917 ( 0.088 1.263 0.000) 1.266 12.157 ( -3.527 -2.682 0.000) 4.432 12.157 ( 3.527 -2.682 0.000) 4.432 12.363 ( -0.348 0.004 0.000) 0.348 12.363 ( 0.348 0.004 0.000) 0.348 12.467 ( -5.701 2.323 0.000) 6.156 12.467 ( 5.701 2.323 0.000) 6.156 12.600 ( -0.049 -0.152 0.000) 0.159 12.600 ( 0.049 -0.152 0.000) 0.159 12.830 ( -2.246 -3.007 0.000) 3.753 12.830 ( 2.246 -3.007 0.000) 3.753 12.857 ( -4.273 -0.307 0.000) 4.284 12.857 ( 4.273 -0.307 0.000) 4.284 13.256 ( -15.927 2.790 0.000) 16.169 13.256 ( 15.927 2.790 0.000) 16.169 13.333 ( -1.537 1.211 0.000) 1.957 13.333 ( 1.537 1.211 0.000) 1.957 13.492 ( -2.122 -4.609 0.000) 5.074 13.492 ( 2.122 -4.609 0.000) 5.074 13.873 ( -7.529 0.273 0.000) 7.534 13.873 ( 7.529 0.273 0.000) 7.534 13.999 ( -9.206 1.522 0.000) 9.331 13.999 ( 9.206 1.522 0.000) 9.331 14.712 ( -11.521 3.626 0.000) 12.078 14.712 ( 11.521 3.626 0.000) 12.078 14.922 ( -9.214 -2.762 0.000) 9.619 14.922 ( 9.214 -2.762 0.000) 9.619 15.101 ( -13.306 3.272 0.000) 13.703 15.101 ( 13.306 3.272 0.000) 13.703 15.276 ( -18.929 -0.835 0.000) 18.947 15.276 ( 18.929 -0.835 0.000) 18.947 15.373 ( -13.305 -3.384 0.000) 13.729 15.373 ( 13.305 -3.384 0.000) 13.729 15.821 ( -0.624 0.194 0.000) 0.653 15.821 ( 0.624 0.194 0.000) 0.653 16.090 ( -10.592 0.996 0.000) 10.639 16.090 ( 10.592 0.996 0.000) 10.639 16.865 ( -2.293 -0.906 0.000) 2.466 16.865 ( 2.293 -0.906 0.000) 2.466 17.225 ( -4.280 0.436 0.000) 4.302 17.225 ( 4.280 0.436 0.000) 4.302 17.474 ( -4.361 -0.072 0.000) 4.362 17.474 ( 4.361 -0.072 0.000) 4.362 17.569 ( -3.942 2.815 0.000) 4.844 17.569 ( 3.942 2.815 0.000) 4.844 17.844 ( -3.338 1.859 0.000) 3.821 17.844 ( 3.338 1.859 0.000) 3.821 17.966 ( -0.127 -1.166 0.000) 1.172 17.966 ( 0.127 -1.166 0.000) 1.172 18.243 ( -10.313 -1.457 0.000) 10.416 18.243 ( 10.313 -1.457 0.000) 10.416 18.385 ( -18.755 1.347 0.000) 18.803 18.385 ( 18.755 1.347 0.000) 18.803 18.556 ( -1.037 -0.095 0.000) 1.041 18.556 ( 1.037 -0.095 0.000) 1.041 18.627 ( -0.149 1.565 0.000) 1.572 18.627 ( 0.149 1.565 0.000) 1.572 18.980 ( -4.824 -1.182 0.000) 4.966 18.980 ( 4.824 -1.182 0.000) 4.966 19.238 ( -1.261 -1.046 0.000) 1.639 19.238 ( 1.261 -1.046 0.000) 1.639 19.666 ( -4.247 0.150 0.000) 4.249 19.666 ( 4.247 0.150 0.000) 4.249 19.986 ( -0.028 0.632 0.000) 0.633 19.986 ( 0.028 0.632 0.000) 0.633 20.234 ( -12.444 1.618 0.000) 12.549 20.234 ( 12.444 1.618 0.000) 12.549 20.463 ( -7.816 -1.039 0.000) 7.885 20.463 ( 7.816 -1.039 0.000) 7.885 20.550 ( -0.921 -1.616 0.000) 1.860 20.550 ( 0.921 -1.616 0.000) 1.860 20.821 ( -2.761 -0.373 0.000) 2.786 20.821 ( 2.761 -0.373 0.000) 2.786 21.006 ( -3.511 -0.171 0.000) 3.515 21.006 ( 3.511 -0.171 0.000) 3.515 21.076 ( -10.054 -0.365 0.000) 10.060 21.076 ( 10.054 -0.365 0.000) 10.060 21.759 ( -0.592 1.506 0.000) 1.618 21.759 ( 0.592 1.506 0.000) 1.618 22.295 ( -2.128 -0.145 0.000) 2.133 22.295 ( 2.128 -0.145 0.000) 2.133 22.732 ( -6.057 1.440 0.000) 6.225 22.732 ( 6.057 1.440 0.000) 6.225 22.844 ( -4.123 -0.256 0.000) 4.131 22.844 ( 4.123 -0.256 0.000) 4.131 23.092 ( -13.676 2.027 0.000) 13.826 23.092 ( 13.676 2.027 0.000) 13.826 23.149 ( -8.294 -1.537 0.000) 8.435 23.149 ( 8.294 -1.537 0.000) 8.435 23.589 ( -2.234 0.069 0.000) 2.235 23.589 ( 2.234 0.069 0.000) 2.235 23.643 ( -1.399 1.447 0.000) 2.013 23.643 ( 1.399 1.447 0.000) 2.013 24.012 ( -7.547 1.127 0.000) 7.631 24.012 ( 7.547 1.127 0.000) 7.631 24.336 ( -5.049 2.346 0.000) 5.568 24.336 ( 5.049 2.346 0.000) 5.568 24.884 ( -17.571 1.004 0.000) 17.599 24.884 ( 17.571 1.004 0.000) 17.599 25.030 ( -2.790 -4.027 0.000) 4.898 25.030 ( 2.790 -4.027 0.000) 4.898 25.390 ( -16.347 0.629 0.000) 16.359 25.390 ( 16.347 0.629 0.000) 16.359 25.671 ( -0.948 -0.196 0.000) 0.968 25.671 ( 0.948 -0.196 0.000) 0.968 25.826 ( -32.829 -3.425 0.000) 33.007 25.826 ( 32.829 -3.425 0.000) 33.007 26.143 ( -33.638 -6.542 0.000) 34.269 26.143 ( 33.638 -6.542 0.000) 34.269 26.313 ( -5.360 -1.027 0.000) 5.457 26.313 ( 5.360 -1.027 0.000) 5.457 27.120 ( -25.350 -2.967 0.000) 25.523 27.120 ( 25.350 -2.967 0.000) 25.523 27.411 ( -0.011 -0.305 0.000) 0.305 27.411 ( 0.011 -0.305 0.000) 0.305 28.002 ( -3.590 -0.038 0.000) 3.590 28.002 ( 3.590 -0.038 0.000) 3.590 28.120 ( -3.489 -4.506 0.000) 5.699 28.120 ( 3.489 -4.506 0.000) 5.699 28.617 ( -15.785 -1.054 0.000) 15.820 28.617 ( 15.785 -1.054 0.000) 15.820 29.052 ( -15.834 -4.089 0.000) 16.354 29.052 ( 15.834 -4.089 0.000) 16.354 29.249 ( -7.122 -1.591 0.000) 7.298 29.249 ( 7.122 -1.591 0.000) 7.298 29.854 ( -7.244 -0.596 0.000) 7.268 29.854 ( 7.244 -0.596 0.000) 7.268 30.319 ( -12.882 -2.114 0.000) 13.054 30.319 ( 12.882 -2.114 0.000) 13.054 30.384 ( -1.262 -2.985 0.000) 3.241 30.384 ( 1.262 -2.985 0.000) 3.241 30.677 ( -3.413 -1.105 0.000) 3.588 30.677 ( 3.413 -1.105 0.000) 3.588 30.765 ( -11.394 -3.622 0.000) 11.956 30.765 ( 11.394 -3.622 0.000) 11.956 31.234 ( -7.229 -1.714 0.000) 7.429 31.234 ( 7.229 -1.714 0.000) 7.429 31.295 ( -0.675 -1.072 0.000) 1.267 31.295 ( 0.675 -1.072 0.000) 1.267 31.603 ( -1.951 -6.501 0.000) 6.787 31.603 ( 1.951 -6.501 0.000) 6.787 31.925 ( -5.249 -3.399 0.000) 6.253 31.925 ( 5.249 -3.399 0.000) 6.253 32.451 ( -14.762 -1.456 0.000) 14.833 32.451 ( 14.762 -1.456 0.000) 14.833 32.989 ( -8.057 -1.995 0.000) 8.300 32.989 ( 8.057 -1.995 0.000) 8.300 33.879 ( -0.134 -0.761 0.000) 0.773 33.879 ( 0.134 -0.761 0.000) 0.773 34.040 ( -0.079 -6.162 0.000) 6.162 34.040 ( 0.079 -6.162 0.000) 6.162 35.905 ( -36.024 -14.488 0.000) 38.828 35.905 ( 36.024 -14.488 0.000) 38.828 ======================= Grid point 25 (16/54) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.336 ( 0.000 9.047 0.000) 9.047 2.369 ( 0.000 -0.886 0.000) 0.886 2.427 ( 0.000 8.584 0.000) 8.584 2.851 ( 0.000 0.157 0.000) 0.157 2.876 ( 0.000 0.955 0.000) 0.955 2.900 ( 0.000 -0.369 0.000) 0.369 2.929 ( 0.000 6.253 0.000) 6.253 2.971 ( 0.000 -6.216 0.000) 6.216 3.019 ( 0.000 -2.037 0.000) 2.037 3.080 ( 0.000 0.971 0.000) 0.971 3.131 ( 0.000 -7.461 0.000) 7.461 3.284 ( 0.000 12.026 0.000) 12.026 3.302 ( 0.000 -0.233 0.000) 0.233 3.304 ( 0.000 1.268 0.000) 1.268 3.427 ( 0.000 -2.352 0.000) 2.352 3.440 ( 0.000 9.460 0.000) 9.460 3.469 ( 0.000 1.446 0.000) 1.446 3.515 ( 0.000 1.985 0.000) 1.985 3.523 ( 0.000 0.842 0.000) 0.842 3.586 ( 0.000 -1.518 0.000) 1.518 3.607 ( 0.000 5.706 0.000) 5.706 3.726 ( 0.000 4.995 0.000) 4.995 3.811 ( 0.000 -11.106 0.000) 11.106 3.994 ( 0.000 -6.901 0.000) 6.901 4.064 ( 0.000 -1.591 0.000) 1.591 4.177 ( 0.000 6.834 0.000) 6.834 4.234 ( 0.000 -0.599 0.000) 0.599 4.350 ( 0.000 5.162 0.000) 5.162 4.465 ( 0.000 2.852 0.000) 2.852 4.500 ( 0.000 -2.129 0.000) 2.129 4.593 ( 0.000 -2.163 0.000) 2.163 4.922 ( 0.000 -3.091 0.000) 3.091 5.004 ( 0.000 -0.715 0.000) 0.715 5.105 ( 0.000 -1.400 0.000) 1.400 5.777 ( 0.000 1.663 0.000) 1.663 5.824 ( 0.000 -2.640 0.000) 2.640 5.945 ( 0.000 0.510 0.000) 0.510 6.146 ( 0.000 0.116 0.000) 0.116 6.199 ( 0.000 -1.954 0.000) 1.954 6.206 ( 0.000 -3.374 0.000) 3.374 6.222 ( 0.000 -2.489 0.000) 2.489 6.604 ( 0.000 1.338 0.000) 1.338 6.616 ( 0.000 -1.492 0.000) 1.492 6.670 ( 0.000 -1.830 0.000) 1.830 6.930 ( 0.000 -2.820 0.000) 2.820 7.006 ( 0.000 -1.056 0.000) 1.056 7.424 ( 0.000 -1.783 0.000) 1.783 7.576 ( 0.000 3.472 0.000) 3.472 7.582 ( 0.000 -1.951 0.000) 1.951 7.607 ( 0.000 1.848 0.000) 1.848 7.765 ( 0.000 -16.608 0.000) 16.608 7.827 ( 0.000 -1.561 0.000) 1.561 8.079 ( 0.000 0.117 0.000) 0.117 8.168 ( 0.000 2.211 0.000) 2.211 8.269 ( 0.000 0.032 0.000) 0.032 8.333 ( 0.000 -2.720 0.000) 2.720 8.421 ( 0.000 -0.289 0.000) 0.289 8.705 ( 0.000 1.832 0.000) 1.832 8.718 ( 0.000 -0.232 0.000) 0.232 8.741 ( 0.000 1.590 0.000) 1.590 8.925 ( 0.000 -0.034 0.000) 0.034 9.122 ( 0.000 0.654 0.000) 0.654 9.212 ( 0.000 -0.612 0.000) 0.612 9.452 ( 0.000 -0.693 0.000) 0.693 9.596 ( 0.000 -1.066 0.000) 1.066 9.757 ( 0.000 0.053 0.000) 0.053 9.850 ( 0.000 0.221 0.000) 0.221 9.858 ( 0.000 2.294 0.000) 2.294 9.949 ( 0.000 -0.631 0.000) 0.631 10.033 ( 0.000 -2.448 0.000) 2.448 10.140 ( 0.000 0.353 0.000) 0.353 10.215 ( 0.000 -1.366 0.000) 1.366 10.232 ( 0.000 -0.954 0.000) 0.954 10.509 ( 0.000 0.010 0.000) 0.010 10.606 ( 0.000 -2.555 0.000) 2.555 10.640 ( 0.000 -2.199 0.000) 2.199 10.904 ( 0.000 1.145 0.000) 1.145 10.956 ( 0.000 -3.815 0.000) 3.815 10.957 ( 0.000 -0.747 0.000) 0.747 11.037 ( 0.000 0.041 0.000) 0.041 11.100 ( 0.000 0.027 0.000) 0.027 11.165 ( 0.000 0.375 0.000) 0.375 11.274 ( 0.000 -0.067 0.000) 0.067 11.325 ( 0.000 -0.548 0.000) 0.548 11.428 ( 0.000 0.672 0.000) 0.672 11.864 ( 0.000 -0.163 0.000) 0.163 11.967 ( 0.000 -0.146 0.000) 0.146 12.049 ( 0.000 0.273 0.000) 0.273 12.094 ( 0.000 -0.898 0.000) 0.898 12.190 ( 0.000 -0.206 0.000) 0.206 12.290 ( 0.000 1.072 0.000) 1.072 12.298 ( 0.000 0.098 0.000) 0.098 12.306 ( 0.000 2.124 0.000) 2.124 12.548 ( 0.000 -1.576 0.000) 1.576 12.722 ( 0.000 -0.247 0.000) 0.247 12.729 ( 0.000 -0.480 0.000) 0.480 12.743 ( 0.000 -3.158 0.000) 3.158 12.747 ( 0.000 1.038 0.000) 1.038 12.916 ( 0.000 1.539 0.000) 1.539 12.953 ( 0.000 0.707 0.000) 0.707 12.968 ( 0.000 -0.284 0.000) 0.284 13.062 ( 0.000 -2.101 0.000) 2.101 13.138 ( 0.000 -0.868 0.000) 0.868 13.310 ( 0.000 -1.100 0.000) 1.100 13.356 ( 0.000 -1.100 0.000) 1.100 13.634 ( 0.000 1.158 0.000) 1.158 13.717 ( 0.000 -0.293 0.000) 0.293 13.741 ( 0.000 1.049 0.000) 1.049 13.925 ( 0.000 0.291 0.000) 0.291 14.228 ( 0.000 0.320 0.000) 0.320 14.235 ( 0.000 1.450 0.000) 1.450 14.528 ( 0.000 0.091 0.000) 0.091 14.582 ( 0.000 0.033 0.000) 0.033 15.010 ( 0.000 4.125 0.000) 4.125 15.244 ( 0.000 -1.142 0.000) 1.142 15.254 ( 0.000 -4.476 0.000) 4.476 15.398 ( 0.000 0.158 0.000) 0.158 15.601 ( 0.000 -0.463 0.000) 0.463 15.738 ( 0.000 1.940 0.000) 1.940 15.742 ( 0.000 -0.050 0.000) 0.050 15.854 ( 0.000 -0.496 0.000) 0.496 15.952 ( 0.000 1.748 0.000) 1.748 16.374 ( 0.000 -0.161 0.000) 0.161 16.498 ( 0.000 -0.932 0.000) 0.932 16.511 ( 0.000 0.715 0.000) 0.715 16.853 ( 0.000 0.117 0.000) 0.117 17.172 ( 0.000 0.729 0.000) 0.729 17.213 ( 0.000 0.268 0.000) 0.268 17.404 ( 0.000 0.503 0.000) 0.503 17.421 ( 0.000 -0.106 0.000) 0.106 17.428 ( 0.000 1.473 0.000) 1.473 17.502 ( 0.000 -0.324 0.000) 0.324 17.731 ( 0.000 0.007 0.000) 0.007 17.867 ( 0.000 -0.120 0.000) 0.120 17.941 ( 0.000 -0.098 0.000) 0.098 17.969 ( 0.000 -0.523 0.000) 0.523 18.156 ( 0.000 -0.096 0.000) 0.096 18.273 ( 0.000 0.314 0.000) 0.314 18.344 ( 0.000 0.020 0.000) 0.020 18.564 ( 0.000 -0.061 0.000) 0.061 18.581 ( 0.000 0.493 0.000) 0.493 18.622 ( 0.000 -0.084 0.000) 0.084 18.630 ( 0.000 0.100 0.000) 0.100 18.732 ( 0.000 0.041 0.000) 0.041 18.963 ( 0.000 0.278 0.000) 0.278 19.024 ( 0.000 -0.344 0.000) 0.344 19.174 ( 0.000 -0.062 0.000) 0.062 19.237 ( 0.000 -0.211 0.000) 0.211 19.238 ( 0.000 -0.112 0.000) 0.112 19.632 ( 0.000 0.503 0.000) 0.503 19.669 ( 0.000 0.197 0.000) 0.197 19.732 ( 0.000 0.021 0.000) 0.021 20.030 ( 0.000 0.100 0.000) 0.100 20.471 ( 0.000 -0.349 0.000) 0.349 20.559 ( 0.000 -0.800 0.000) 0.800 20.585 ( 0.000 -0.303 0.000) 0.303 20.653 ( 0.000 -0.716 0.000) 0.716 20.719 ( 0.000 1.907 0.000) 1.907 20.842 ( 0.000 0.312 0.000) 0.312 20.882 ( 0.000 0.632 0.000) 0.632 20.918 ( 0.000 -1.372 0.000) 1.372 21.030 ( 0.000 0.299 0.000) 0.299 21.144 ( 0.000 -0.718 0.000) 0.718 21.305 ( 0.000 0.516 0.000) 0.516 21.900 ( 0.000 -0.092 0.000) 0.092 21.996 ( 0.000 -0.800 0.000) 0.800 22.162 ( 0.000 0.154 0.000) 0.154 22.261 ( 0.000 0.568 0.000) 0.568 22.433 ( 0.000 0.595 0.000) 0.595 22.526 ( 0.000 0.576 0.000) 0.576 22.702 ( 0.000 -0.404 0.000) 0.404 22.827 ( 0.000 -0.711 0.000) 0.711 22.832 ( 0.000 0.582 0.000) 0.582 23.147 ( 0.000 0.549 0.000) 0.549 23.416 ( 0.000 0.802 0.000) 0.802 23.660 ( 0.000 0.319 0.000) 0.319 23.686 ( 0.000 0.730 0.000) 0.730 23.714 ( 0.000 0.539 0.000) 0.539 23.721 ( 0.000 0.123 0.000) 0.123 24.015 ( 0.000 0.036 0.000) 0.036 24.072 ( 0.000 1.879 0.000) 1.879 24.076 ( 0.000 0.811 0.000) 0.811 24.223 ( 0.000 -0.008 0.000) 0.008 24.228 ( 0.000 -0.212 0.000) 0.212 24.371 ( 0.000 -0.035 0.000) 0.035 24.484 ( 0.000 -0.246 0.000) 0.246 24.685 ( 0.000 0.315 0.000) 0.315 24.740 ( 0.000 -1.032 0.000) 1.032 24.803 ( 0.000 -0.197 0.000) 0.197 25.563 ( 0.000 1.111 0.000) 1.111 25.597 ( 0.000 0.001 0.000) 0.001 25.673 ( 0.000 -0.972 0.000) 0.972 25.880 ( 0.000 -0.534 0.000) 0.534 25.972 ( 0.000 0.541 0.000) 0.541 26.090 ( 0.000 -0.364 0.000) 0.364 26.116 ( 0.000 0.033 0.000) 0.033 26.291 ( 0.000 0.028 0.000) 0.028 27.247 ( 0.000 -0.494 0.000) 0.494 27.421 ( 0.000 -1.647 0.000) 1.647 27.428 ( 0.000 0.015 0.000) 0.015 27.508 ( 0.000 -3.243 0.000) 3.243 27.516 ( 0.000 -1.486 0.000) 1.486 27.640 ( 0.000 -1.541 0.000) 1.541 27.876 ( 0.000 -0.023 0.000) 0.023 28.124 ( 0.000 -3.231 0.000) 3.231 28.278 ( 0.000 -0.050 0.000) 0.050 28.429 ( 0.000 -0.429 0.000) 0.429 28.452 ( 0.000 -1.480 0.000) 1.480 28.728 ( 0.000 -0.240 0.000) 0.240 28.936 ( 0.000 -0.238 0.000) 0.238 29.296 ( 0.000 -0.603 0.000) 0.603 29.528 ( 0.000 -1.649 0.000) 1.649 29.610 ( 0.000 -0.132 0.000) 0.132 29.862 ( 0.000 -0.384 0.000) 0.384 29.977 ( 0.000 -0.304 0.000) 0.304 30.228 ( 0.000 -1.705 0.000) 1.705 30.370 ( 0.000 -1.909 0.000) 1.909 30.498 ( 0.000 -0.687 0.000) 0.687 30.576 ( 0.000 -0.239 0.000) 0.239 30.639 ( 0.000 -0.071 0.000) 0.071 30.793 ( 0.000 1.445 0.000) 1.445 30.834 ( 0.000 -2.294 0.000) 2.294 30.977 ( 0.000 -1.571 0.000) 1.571 31.158 ( 0.000 -1.203 0.000) 1.203 31.190 ( 0.000 -0.097 0.000) 0.097 31.431 ( 0.000 -0.738 0.000) 0.738 31.558 ( 0.000 -1.587 0.000) 1.587 31.618 ( 0.000 -1.546 0.000) 1.546 31.949 ( 0.000 -0.929 0.000) 0.929 31.970 ( 0.000 -1.253 0.000) 1.253 32.382 ( 0.000 -0.581 0.000) 0.581 32.408 ( 0.000 -0.940 0.000) 0.940 33.133 ( 0.000 -0.512 0.000) 0.512 33.318 ( 0.000 -2.423 0.000) 2.423 33.509 ( 0.000 -1.945 0.000) 1.945 33.570 ( 0.000 -1.015 0.000) 1.015 33.784 ( 0.000 -0.635 0.000) 0.635 34.111 ( 0.000 -2.874 0.000) 2.874 35.048 ( 0.000 -1.376 0.000) 1.376 36.402 ( 0.000 -11.104 0.000) 11.104 ======================= Grid point 26 (17/54) ======================= q-point: ( 0.25 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 5.175 5.202 0.000) 7.338 2.434 ( 7.256 3.067 0.000) 7.877 2.472 ( 3.147 4.457 0.000) 5.456 2.814 ( -7.220 1.268 0.000) 7.331 2.828 ( -1.948 -2.691 0.000) 3.322 2.862 ( -0.950 4.558 0.000) 4.656 2.919 ( 0.703 7.003 0.000) 7.039 2.991 ( 1.463 -6.716 0.000) 6.874 3.065 ( -0.119 -3.742 0.000) 3.744 3.084 ( -1.011 1.006 0.000) 1.426 3.160 ( 3.351 -3.032 0.000) 4.519 3.253 ( -3.131 0.546 0.000) 3.179 3.308 ( 1.764 6.514 0.000) 6.748 3.313 ( 0.662 1.595 0.000) 1.727 3.349 ( -3.759 2.845 0.000) 4.714 3.423 ( -4.071 1.656 0.000) 4.395 3.535 ( 3.248 3.118 0.000) 4.502 3.554 ( 2.845 2.251 0.000) 3.628 3.593 ( 4.757 8.926 0.000) 10.115 3.595 ( 1.582 0.260 0.000) 1.603 3.673 ( 11.389 2.097 0.000) 11.581 3.770 ( 3.752 0.961 0.000) 3.873 3.830 ( 2.593 -10.236 0.000) 10.559 4.008 ( -3.470 -0.752 0.000) 3.550 4.067 ( 6.051 -4.338 0.000) 7.445 4.222 ( -11.928 3.281 0.000) 12.371 4.223 ( -1.141 -2.267 0.000) 2.537 4.294 ( 7.980 5.187 0.000) 9.518 4.426 ( -14.261 -2.285 0.000) 14.443 4.487 ( -0.675 3.598 0.000) 3.661 4.564 ( 6.201 -1.239 0.000) 6.324 4.795 ( -6.729 0.183 0.000) 6.731 5.117 ( 9.079 -2.806 0.000) 9.503 5.201 ( 7.204 -1.851 0.000) 7.438 5.626 ( -12.953 1.869 0.000) 13.088 5.678 ( -12.593 -3.223 0.000) 12.999 6.146 ( 6.545 -1.347 0.000) 6.682 6.152 ( -0.279 -0.704 0.000) 0.757 6.177 ( 4.113 -1.206 0.000) 4.286 6.302 ( 18.079 0.888 0.000) 18.101 6.359 ( 13.070 -3.908 0.000) 13.642 6.542 ( -1.685 -1.511 0.000) 2.263 6.747 ( -14.163 -2.848 0.000) 14.446 6.782 ( 9.771 -0.752 0.000) 9.800 6.890 ( 14.494 -0.922 0.000) 14.523 7.013 ( 1.523 -2.468 0.000) 2.900 7.288 ( -12.869 0.241 0.000) 12.871 7.501 ( -5.678 -1.160 0.000) 5.795 7.580 ( 16.030 -1.209 0.000) 16.075 7.742 ( -0.388 -7.075 0.000) 7.086 7.854 ( -15.284 -0.659 0.000) 15.298 7.887 ( 3.249 -1.045 0.000) 3.413 7.911 ( 8.605 -0.731 0.000) 8.636 8.008 ( -10.286 -1.219 0.000) 10.358 8.250 ( -3.483 -0.495 0.000) 3.518 8.348 ( -5.457 -0.748 0.000) 5.508 8.379 ( 0.229 -0.464 0.000) 0.517 8.652 ( -33.085 -0.809 0.000) 33.095 8.710 ( 4.186 0.583 0.000) 4.227 8.731 ( 2.317 1.835 0.000) 2.956 9.012 ( 18.141 1.001 0.000) 18.168 9.162 ( 10.444 -1.185 0.000) 10.511 9.194 ( -34.865 -0.609 0.000) 34.871 9.296 ( -6.579 -0.417 0.000) 6.593 9.577 ( -1.397 -0.795 0.000) 1.607 9.589 ( 10.516 -0.308 0.000) 10.521 9.676 ( -4.440 0.847 0.000) 4.520 9.766 ( -8.094 2.426 0.000) 8.449 9.938 ( -2.673 -1.670 0.000) 3.152 9.987 ( 8.076 0.196 0.000) 8.078 10.023 ( 0.957 -2.581 0.000) 2.753 10.231 ( 9.517 0.533 0.000) 9.532 10.408 ( -2.226 0.270 0.000) 2.242 10.550 ( -19.761 -1.079 0.000) 19.790 10.671 ( -4.818 -2.759 0.000) 5.552 10.675 ( 5.784 -2.766 0.000) 6.412 10.709 ( -7.790 0.045 0.000) 7.790 10.921 ( 0.355 -0.887 0.000) 0.955 10.932 ( -21.254 -0.294 0.000) 21.256 11.065 ( -4.477 -0.130 0.000) 4.479 11.114 ( 30.736 -0.522 0.000) 30.741 11.241 ( 3.441 0.358 0.000) 3.460 11.280 ( 7.484 -0.459 0.000) 7.498 11.469 ( 6.812 -0.469 0.000) 6.828 11.556 ( 9.158 -0.269 0.000) 9.162 11.922 ( 0.473 1.672 0.000) 1.738 11.958 ( 0.159 -1.625 0.000) 1.633 12.017 ( -2.278 4.394 0.000) 4.949 12.117 ( 0.109 -5.166 0.000) 5.168 12.136 ( -3.380 -0.584 0.000) 3.430 12.343 ( 4.427 1.244 0.000) 4.598 12.354 ( 3.020 0.642 0.000) 3.087 12.400 ( -9.198 -0.869 0.000) 9.239 12.524 ( 14.975 1.966 0.000) 15.103 12.638 ( -4.460 0.524 0.000) 4.490 12.664 ( -4.475 -2.256 0.000) 5.012 12.704 ( 4.821 -0.037 0.000) 4.821 12.832 ( -4.462 -1.340 0.000) 4.659 12.873 ( -16.076 0.073 0.000) 16.076 12.926 ( 10.526 0.120 0.000) 10.527 13.082 ( 12.515 -1.184 0.000) 12.571 13.112 ( -8.499 1.467 0.000) 8.625 13.227 ( 16.662 -1.286 0.000) 16.711 13.317 ( 3.475 -1.465 0.000) 3.772 13.402 ( 4.386 0.489 0.000) 4.413 13.631 ( 10.174 -0.783 0.000) 10.204 13.641 ( -5.722 0.449 0.000) 5.739 13.853 ( 6.040 1.235 0.000) 6.165 14.086 ( -9.922 0.345 0.000) 9.928 14.205 ( -6.249 1.307 0.000) 6.384 14.380 ( 27.822 0.545 0.000) 27.828 14.597 ( 7.273 -0.507 0.000) 7.291 14.702 ( 14.242 -0.166 0.000) 14.243 14.950 ( -2.333 2.124 0.000) 3.155 15.091 ( -8.483 -1.133 0.000) 8.559 15.168 ( -8.883 1.089 0.000) 8.950 15.243 ( -8.924 -3.394 0.000) 9.548 15.557 ( -17.096 1.931 0.000) 17.204 15.695 ( -9.573 -0.413 0.000) 9.582 15.795 ( -18.008 1.544 0.000) 18.074 15.804 ( 2.811 1.259 0.000) 3.080 15.844 ( 11.569 -1.634 0.000) 11.684 15.986 ( -23.020 -1.256 0.000) 23.054 16.406 ( -22.646 0.465 0.000) 22.651 16.630 ( 17.717 -0.496 0.000) 17.724 16.820 ( 7.877 0.431 0.000) 7.889 17.194 ( -0.718 0.648 0.000) 0.968 17.332 ( -2.861 0.010 0.000) 2.861 17.396 ( 0.099 -0.887 0.000) 0.892 17.456 ( 5.067 1.475 0.000) 5.278 17.481 ( 4.778 0.104 0.000) 4.779 17.627 ( 8.329 0.332 0.000) 8.336 17.785 ( 3.876 1.060 0.000) 4.018 17.951 ( -0.856 -0.659 0.000) 1.080 17.980 ( 2.868 -0.189 0.000) 2.874 17.985 ( 11.962 -0.140 0.000) 11.963 18.086 ( -5.512 0.809 0.000) 5.571 18.104 ( -7.730 -0.621 0.000) 7.755 18.405 ( 0.205 0.097 0.000) 0.227 18.527 ( -5.183 0.080 0.000) 5.183 18.572 ( 0.049 0.030 0.000) 0.058 18.605 ( 2.351 0.578 0.000) 2.421 18.661 ( 1.398 0.385 0.000) 1.450 18.762 ( -15.393 0.097 0.000) 15.394 18.802 ( 6.815 -0.320 0.000) 6.822 19.054 ( 0.144 -0.352 0.000) 0.380 19.177 ( 0.853 -0.421 0.000) 0.951 19.245 ( 0.137 -0.330 0.000) 0.357 19.452 ( 15.224 0.160 0.000) 15.225 19.646 ( 2.916 0.118 0.000) 2.919 19.852 ( 14.806 0.223 0.000) 14.807 19.884 ( 10.277 0.316 0.000) 10.282 20.046 ( 3.120 0.240 0.000) 3.130 20.452 ( -8.914 -0.292 0.000) 8.918 20.488 ( -0.868 0.340 0.000) 0.932 20.511 ( -9.343 -0.199 0.000) 9.345 20.549 ( -0.980 -0.662 0.000) 1.182 20.706 ( 1.212 1.114 0.000) 1.646 20.732 ( -9.076 -1.215 0.000) 9.157 20.927 ( 3.871 0.599 0.000) 3.917 20.977 ( -11.656 -0.058 0.000) 11.657 20.991 ( -1.687 -0.478 0.000) 1.754 21.021 ( 2.798 -0.749 0.000) 2.896 21.268 ( -5.586 0.342 0.000) 5.596 21.944 ( -15.967 0.380 0.000) 15.971 21.987 ( -15.667 0.714 0.000) 15.684 22.084 ( 10.181 -0.328 0.000) 10.186 22.109 ( 16.169 0.007 0.000) 16.169 22.633 ( 7.937 0.409 0.000) 7.948 22.734 ( 10.157 0.185 0.000) 10.159 22.758 ( 14.100 0.173 0.000) 14.101 22.875 ( 1.455 0.512 0.000) 1.543 22.907 ( 4.411 -0.831 0.000) 4.489 23.017 ( -9.087 0.519 0.000) 9.102 23.349 ( -6.674 0.857 0.000) 6.729 23.444 ( -18.795 0.096 0.000) 18.795 23.610 ( -3.288 0.303 0.000) 3.302 23.674 ( -1.826 0.594 0.000) 1.920 23.752 ( -2.392 0.167 0.000) 2.397 23.777 ( -15.248 -0.124 0.000) 15.248 23.927 ( -0.884 1.234 0.000) 1.518 24.190 ( 6.252 1.268 0.000) 6.379 24.211 ( -6.094 -0.228 0.000) 6.099 24.472 ( -2.618 1.144 0.000) 2.857 24.521 ( 18.963 0.050 0.000) 18.963 24.583 ( 25.182 -0.797 0.000) 25.194 24.882 ( 10.106 -0.932 0.000) 10.149 25.003 ( 19.272 0.326 0.000) 19.275 25.075 ( 31.247 -0.970 0.000) 31.262 25.283 ( -18.441 0.325 0.000) 18.444 25.578 ( -2.432 0.033 0.000) 2.432 25.660 ( -0.769 -0.291 0.000) 0.823 25.844 ( -1.266 -0.646 0.000) 1.422 25.846 ( -11.597 0.345 0.000) 11.602 26.112 ( -1.911 -0.045 0.000) 1.911 26.287 ( -0.360 -0.005 0.000) 0.360 26.497 ( 30.112 -0.523 0.000) 30.116 26.745 ( -36.620 -1.296 0.000) 36.643 26.882 ( -45.145 -3.471 0.000) 45.279 27.384 ( -0.911 0.323 0.000) 0.966 27.416 ( -5.668 -2.620 0.000) 6.244 27.423 ( -0.511 0.021 0.000) 0.511 27.916 ( 3.980 0.040 0.000) 3.980 28.062 ( -5.662 -0.582 0.000) 5.692 28.089 ( 8.994 -1.446 0.000) 9.110 28.247 ( -13.434 -1.555 0.000) 13.524 28.267 ( 7.914 -0.377 0.000) 7.923 28.653 ( 17.832 -1.248 0.000) 17.876 28.850 ( -8.652 -0.219 0.000) 8.655 28.940 ( 13.961 -0.491 0.000) 13.970 29.323 ( -0.217 -0.779 0.000) 0.808 29.365 ( -14.314 -1.578 0.000) 14.401 29.694 ( 7.460 -0.102 0.000) 7.461 29.947 ( -3.181 -0.309 0.000) 3.196 30.000 ( 13.197 -0.506 0.000) 13.207 30.270 ( 3.831 -1.541 0.000) 4.130 30.364 ( -1.207 -1.624 0.000) 2.023 30.500 ( -6.207 -0.178 0.000) 6.210 30.547 ( 5.291 -0.875 0.000) 5.363 30.620 ( -0.294 -0.344 0.000) 0.452 30.759 ( -4.462 -0.436 0.000) 4.484 30.950 ( 2.664 -0.218 0.000) 2.673 31.011 ( -4.346 -1.425 0.000) 4.574 31.101 ( 10.467 -1.128 0.000) 10.528 31.237 ( 4.057 -0.474 0.000) 4.084 31.381 ( -5.347 -0.674 0.000) 5.389 31.529 ( -2.615 -1.761 0.000) 3.152 31.706 ( -0.482 -0.147 0.000) 0.504 31.733 ( -4.791 -2.893 0.000) 5.597 32.096 ( -13.421 -0.923 0.000) 13.453 32.162 ( 10.852 -0.690 0.000) 10.874 32.706 ( 13.878 -0.132 0.000) 13.879 32.859 ( -24.586 -2.044 0.000) 24.671 33.093 ( -4.312 -0.662 0.000) 4.362 33.680 ( 9.827 -1.071 0.000) 9.885 33.812 ( 5.224 0.529 0.000) 5.250 33.863 ( 10.648 -3.994 0.000) 11.372 34.056 ( -5.174 -2.620 0.000) 5.799 35.202 ( 17.188 -2.555 0.000) 17.377 36.196 ( -20.112 -9.609 0.000) 22.290 ======================= Grid point 27 (18/54) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -2.006 0.612 0.000) 2.097 2.488 ( 2.006 0.612 0.000) 2.097 2.630 ( -7.865 5.080 0.000) 9.363 2.630 ( 7.865 5.080 0.000) 9.363 2.825 ( -0.456 7.290 0.000) 7.304 2.825 ( 0.456 7.290 0.000) 7.304 2.972 ( -2.275 -4.189 0.000) 4.767 2.972 ( 2.275 -4.189 0.000) 4.767 3.052 ( -0.000 -3.703 0.000) 3.703 3.052 ( 0.000 -3.703 0.000) 3.703 3.207 ( -0.639 0.624 0.000) 0.892 3.207 ( 0.639 0.624 0.000) 0.893 3.314 ( -0.006 3.150 0.000) 3.150 3.314 ( 0.006 3.150 0.000) 3.150 3.352 ( -0.828 0.359 0.000) 0.903 3.352 ( 0.828 0.359 0.000) 0.903 3.587 ( -0.071 5.363 0.000) 5.364 3.587 ( 0.071 5.363 0.000) 5.364 3.632 ( -0.366 3.890 0.000) 3.907 3.632 ( 0.366 3.890 0.000) 3.907 3.860 ( -2.719 -1.276 0.000) 3.004 3.860 ( 2.719 -1.276 0.000) 3.004 3.941 ( -12.610 2.873 0.000) 12.933 3.941 ( 12.610 2.873 0.000) 12.933 4.082 ( -13.166 -5.848 0.000) 14.407 4.082 ( 13.166 -5.848 0.000) 14.407 4.183 ( -1.812 -3.341 0.000) 3.800 4.183 ( 1.812 -3.341 0.000) 3.800 4.431 ( -4.249 5.467 0.000) 6.924 4.431 ( 4.249 5.467 0.000) 6.924 4.690 ( -4.976 -0.395 0.000) 4.991 4.690 ( 4.976 -0.395 0.000) 4.991 5.348 ( -10.725 0.425 0.000) 10.733 5.348 ( 10.725 0.425 0.000) 10.733 5.399 ( -10.603 -3.388 0.000) 11.131 5.399 ( 10.603 -3.388 0.000) 11.131 6.167 ( -0.458 -1.145 0.000) 1.233 6.167 ( 0.458 -1.145 0.000) 1.233 6.342 ( -9.216 -1.925 0.000) 9.415 6.342 ( 9.216 -1.925 0.000) 9.415 6.541 ( -1.583 -1.001 0.000) 1.872 6.541 ( 1.583 -1.001 0.000) 1.872 6.857 ( -5.002 -2.386 0.000) 5.542 6.857 ( 5.002 -2.386 0.000) 5.542 7.079 ( -0.077 -1.675 0.000) 1.676 7.079 ( 0.077 -1.675 0.000) 1.676 7.370 ( -26.511 0.534 0.000) 26.517 7.370 ( 26.512 0.534 0.000) 26.517 7.484 ( -0.994 -2.466 0.000) 2.659 7.484 ( 0.994 -2.466 0.000) 2.659 7.870 ( -0.434 -2.164 0.000) 2.207 7.870 ( 0.434 -2.164 0.000) 2.207 7.944 ( -4.767 -1.248 0.000) 4.928 7.944 ( 4.767 -1.248 0.000) 4.928 8.248 ( -4.691 -1.391 0.000) 4.893 8.248 ( 4.691 -1.391 0.000) 4.893 8.323 ( -2.549 -0.509 0.000) 2.599 8.323 ( 2.549 -0.509 0.000) 2.599 8.766 ( -0.000 1.204 0.000) 1.204 8.766 ( 0.000 1.204 0.000) 1.204 8.931 ( -5.627 -0.061 0.000) 5.627 8.931 ( 5.627 -0.061 0.000) 5.627 9.382 ( -16.030 0.055 0.000) 16.030 9.382 ( 16.030 0.055 0.000) 16.030 9.581 ( -5.232 0.717 0.000) 5.281 9.581 ( 5.232 0.717 0.000) 5.281 9.654 ( -0.876 -0.935 0.000) 1.281 9.654 ( 0.876 -0.935 0.000) 1.281 9.953 ( -2.754 0.146 0.000) 2.758 9.953 ( 2.754 0.146 0.000) 2.758 10.231 ( -12.570 -1.545 0.000) 12.665 10.231 ( 12.570 -1.545 0.000) 12.665 10.449 ( -6.956 -0.674 0.000) 6.989 10.449 ( 6.956 -0.674 0.000) 6.989 10.512 ( -16.951 0.712 0.000) 16.966 10.512 ( 16.951 0.712 0.000) 16.966 10.755 ( -0.010 -3.217 0.000) 3.217 10.755 ( 0.010 -3.217 0.000) 3.217 10.961 ( -2.007 -0.315 0.000) 2.032 10.961 ( 2.007 -0.315 0.000) 2.032 11.307 ( -0.916 0.532 0.000) 1.059 11.307 ( 0.916 0.532 0.000) 1.059 11.491 ( -6.569 -0.841 0.000) 6.623 11.491 ( 6.569 -0.841 0.000) 6.623 11.789 ( -12.876 0.107 0.000) 12.876 11.789 ( 12.876 0.107 0.000) 12.876 11.960 ( -1.103 2.514 0.000) 2.746 11.960 ( 1.103 2.514 0.000) 2.746 12.088 ( -0.012 -3.330 0.000) 3.330 12.088 ( 0.012 -3.330 0.000) 3.330 12.358 ( -1.365 -0.232 0.000) 1.384 12.358 ( 1.365 -0.232 0.000) 1.384 12.513 ( -11.658 1.695 0.000) 11.780 12.513 ( 11.658 1.695 0.000) 11.780 12.599 ( -0.054 0.055 0.000) 0.077 12.599 ( 0.054 0.055 0.000) 0.077 12.776 ( -1.361 -1.824 0.000) 2.276 12.776 ( 1.361 -1.824 0.000) 2.276 12.858 ( -12.900 0.096 0.000) 12.901 12.858 ( 12.900 0.096 0.000) 12.901 13.296 ( -19.231 1.115 0.000) 19.263 13.296 ( 19.231 1.115 0.000) 19.263 13.352 ( -7.102 0.727 0.000) 7.139 13.352 ( 7.102 0.727 0.000) 7.139 13.421 ( -0.783 -2.173 0.000) 2.310 13.421 ( 0.783 -2.173 0.000) 2.310 13.876 ( -11.261 0.051 0.000) 11.261 13.876 ( 11.261 0.051 0.000) 11.261 14.024 ( -10.433 0.727 0.000) 10.458 14.024 ( 10.433 0.727 0.000) 10.458 14.774 ( -9.643 2.357 0.000) 9.927 14.774 ( 9.643 2.357 0.000) 9.927 14.869 ( -13.305 -2.111 0.000) 13.472 14.869 ( 13.305 -2.111 0.000) 13.472 15.157 ( -17.786 2.018 0.000) 17.900 15.157 ( 17.786 2.018 0.000) 17.900 15.263 ( -20.037 -0.470 0.000) 20.042 15.263 ( 20.037 -0.470 0.000) 20.042 15.316 ( -20.549 -1.896 0.000) 20.637 15.316 ( 20.549 -1.896 0.000) 20.637 15.822 ( -0.803 -0.057 0.000) 0.805 15.822 ( 0.803 -0.057 0.000) 0.805 16.103 ( -12.104 0.327 0.000) 12.109 16.103 ( 12.104 0.327 0.000) 12.109 16.854 ( -3.940 -0.284 0.000) 3.950 16.854 ( 3.940 -0.284 0.000) 3.950 17.231 ( -4.486 0.153 0.000) 4.489 17.231 ( 4.486 0.153 0.000) 4.489 17.473 ( -6.035 -0.052 0.000) 6.035 17.473 ( 6.035 -0.052 0.000) 6.035 17.608 ( -6.183 1.014 0.000) 6.265 17.608 ( 6.183 1.014 0.000) 6.265 17.871 ( -4.449 0.789 0.000) 4.518 17.871 ( 4.449 0.789 0.000) 4.518 17.949 ( -0.132 -0.488 0.000) 0.506 17.949 ( 0.132 -0.488 0.000) 0.506 18.223 ( -11.496 -0.515 0.000) 11.508 18.223 ( 11.496 -0.515 0.000) 11.508 18.401 ( -20.804 0.340 0.000) 20.807 18.401 ( 20.804 0.340 0.000) 20.807 18.556 ( -1.920 0.026 0.000) 1.920 18.556 ( 1.920 0.026 0.000) 1.920 18.654 ( -0.496 0.873 0.000) 1.004 18.654 ( 0.496 0.873 0.000) 1.004 18.960 ( -7.185 -0.630 0.000) 7.212 18.960 ( 7.185 -0.630 0.000) 7.212 19.223 ( -2.057 -0.410 0.000) 2.097 19.223 ( 2.057 -0.410 0.000) 2.097 19.668 ( -3.994 0.034 0.000) 3.994 19.668 ( 3.994 0.034 0.000) 3.994 19.995 ( -0.347 0.238 0.000) 0.420 19.995 ( 0.347 0.238 0.000) 0.420 20.256 ( -13.251 0.566 0.000) 13.263 20.256 ( 13.251 0.566 0.000) 13.263 20.446 ( -7.566 -0.504 0.000) 7.582 20.446 ( 7.566 -0.504 0.000) 7.582 20.532 ( -0.112 -0.384 0.000) 0.400 20.532 ( 0.112 -0.384 0.000) 0.400 20.815 ( -2.265 -0.145 0.000) 2.270 20.815 ( 2.265 -0.145 0.000) 2.270 21.001 ( -2.466 -0.225 0.000) 2.476 21.001 ( 2.466 -0.225 0.000) 2.476 21.076 ( -12.202 0.100 0.000) 12.202 21.076 ( 12.202 0.100 0.000) 12.202 21.780 ( -1.554 0.560 0.000) 1.651 21.780 ( 1.554 0.560 0.000) 1.651 22.295 ( -3.207 0.037 0.000) 3.207 22.295 ( 3.207 0.037 0.000) 3.207 22.752 ( -6.572 0.550 0.000) 6.594 22.752 ( 6.572 0.549 0.000) 6.595 22.840 ( -4.663 -0.102 0.000) 4.664 22.840 ( 4.663 -0.102 0.000) 4.664 23.122 ( -7.051 0.872 0.000) 7.105 23.122 ( 7.051 0.872 0.000) 7.105 23.131 ( -3.115 -0.454 0.000) 3.148 23.131 ( 3.114 -0.454 0.000) 3.147 23.591 ( -2.654 0.071 0.000) 2.655 23.591 ( 2.654 0.071 0.000) 2.655 23.664 ( -2.166 0.543 0.000) 2.233 23.664 ( 2.166 0.543 0.000) 2.233 24.032 ( -7.797 0.601 0.000) 7.820 24.032 ( 7.797 0.601 0.000) 7.820 24.370 ( -7.126 0.896 0.000) 7.182 24.370 ( 7.126 0.896 0.000) 7.182 24.892 ( -14.800 -0.024 0.000) 14.800 24.892 ( 14.800 -0.024 0.000) 14.800 24.986 ( -1.182 -0.752 0.000) 1.401 24.986 ( 1.182 -0.752 0.000) 1.401 25.399 ( -17.941 0.225 0.000) 17.942 25.399 ( 17.941 0.225 0.000) 17.942 25.665 ( -2.835 -0.326 0.000) 2.853 25.665 ( 2.835 -0.326 0.000) 2.853 25.782 ( -34.199 -0.991 0.000) 34.213 25.782 ( 34.199 -0.991 0.000) 34.213 26.062 ( -30.033 -1.925 0.000) 30.095 26.062 ( 30.033 -1.925 0.000) 30.095 26.301 ( -4.255 -0.267 0.000) 4.263 26.301 ( 4.255 -0.267 0.000) 4.263 27.079 ( -26.033 -1.059 0.000) 26.054 27.079 ( 26.033 -1.059 0.000) 26.054 27.408 ( -0.149 -0.061 0.000) 0.161 27.408 ( 0.149 -0.061 0.000) 0.161 28.011 ( -1.685 1.057 0.000) 1.989 28.011 ( 1.685 1.057 0.000) 1.989 28.048 ( -1.543 -2.706 0.000) 3.115 28.048 ( 1.543 -2.706 0.000) 3.115 28.603 ( -16.454 -0.365 0.000) 16.458 28.603 ( 16.454 -0.365 0.000) 16.458 28.997 ( -15.826 -1.425 0.000) 15.890 28.997 ( 15.826 -1.425 0.000) 15.890 29.227 ( -7.857 -0.563 0.000) 7.877 29.227 ( 7.857 -0.563 0.000) 7.877 29.847 ( -7.004 -0.177 0.000) 7.006 29.847 ( 7.004 -0.177 0.000) 7.006 30.277 ( -10.824 -1.379 0.000) 10.911 30.277 ( 10.824 -1.379 0.000) 10.911 30.357 ( -5.617 -0.416 0.000) 5.632 30.357 ( 5.617 -0.416 0.000) 5.632 30.661 ( -4.013 -0.456 0.000) 4.039 30.661 ( 4.013 -0.456 0.000) 4.039 30.716 ( -11.929 -1.232 0.000) 11.992 30.716 ( 11.929 -1.232 0.000) 11.992 31.215 ( -10.262 -0.376 0.000) 10.269 31.215 ( 10.262 -0.376 0.000) 10.269 31.281 ( -2.979 -0.402 0.000) 3.006 31.281 ( 2.979 -0.402 0.000) 3.006 31.514 ( -3.887 -2.352 0.000) 4.543 31.514 ( 3.887 -2.352 0.000) 4.543 31.879 ( -8.325 -1.217 0.000) 8.414 31.879 ( 8.325 -1.217 0.000) 8.414 32.429 ( -16.881 -0.614 0.000) 16.892 32.429 ( 16.881 -0.614 0.000) 16.892 32.957 ( -9.645 -0.988 0.000) 9.696 32.957 ( 9.645 -0.988 0.000) 9.696 33.866 ( -0.887 -0.257 0.000) 0.923 33.866 ( 0.887 -0.257 0.000) 0.923 33.940 ( -0.637 -3.199 0.000) 3.261 33.940 ( 0.637 -3.199 0.000) 3.261 35.689 ( -28.896 -6.084 0.000) 29.530 35.689 ( 28.896 -6.084 0.000) 29.530 ======================= Grid point 55 (19/54) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.750 ( 0.000 0.000 36.597) 36.597 0.836 ( 0.000 0.000 40.189) 40.189 1.437 ( 0.000 0.000 66.764) 66.764 2.002 ( 0.000 0.000 -18.474) 18.474 2.072 ( 0.000 0.000 5.476) 5.476 2.289 ( 0.000 0.000 -11.450) 11.450 2.551 ( 0.000 0.000 0.469) 0.469 2.753 ( 0.000 0.000 -8.867) 8.867 2.790 ( 0.000 0.000 -4.645) 4.645 2.918 ( 0.000 0.000 2.901) 2.901 2.926 ( 0.000 0.000 5.443) 5.443 3.070 ( 0.000 0.000 11.065) 11.065 3.086 ( 0.000 0.000 3.369) 3.369 3.148 ( 0.000 0.000 6.261) 6.261 3.265 ( 0.000 0.000 -2.816) 2.816 3.367 ( 0.000 0.000 -2.807) 2.807 3.391 ( 0.000 0.000 1.016) 1.016 3.456 ( 0.000 0.000 0.299) 0.299 3.568 ( 0.000 0.000 -8.039) 8.039 3.569 ( 0.000 0.000 2.791) 2.791 3.653 ( 0.000 0.000 -9.427) 9.427 3.659 ( 0.000 0.000 -29.136) 29.136 3.749 ( 0.000 0.000 -2.714) 2.714 3.890 ( 0.000 0.000 -3.701) 3.701 4.224 ( 0.000 0.000 7.349) 7.349 4.318 ( 0.000 0.000 5.298) 5.298 4.480 ( 0.000 0.000 0.375) 0.375 4.522 ( 0.000 0.000 -6.510) 6.510 4.835 ( 0.000 0.000 -1.273) 1.273 4.920 ( 0.000 0.000 -4.582) 4.582 4.993 ( 0.000 0.000 4.206) 4.206 5.094 ( 0.000 0.000 -0.703) 0.703 5.147 ( 0.000 0.000 2.723) 2.723 5.158 ( 0.000 0.000 2.959) 2.959 5.774 ( 0.000 0.000 3.599) 3.599 5.993 ( 0.000 0.000 -5.201) 5.201 6.180 ( 0.000 0.000 -0.659) 0.659 6.319 ( 0.000 0.000 -5.820) 5.820 6.600 ( 0.000 0.000 13.113) 13.113 6.731 ( 0.000 0.000 17.881) 17.881 6.820 ( 0.000 0.000 10.481) 10.481 6.853 ( 0.000 0.000 2.138) 2.138 7.064 ( 0.000 0.000 4.212) 4.212 7.080 ( 0.000 0.000 -6.104) 6.104 7.194 ( 0.000 0.000 4.229) 4.229 7.255 ( 0.000 0.000 -2.484) 2.484 7.451 ( 0.000 0.000 5.258) 5.258 7.484 ( 0.000 0.000 -24.225) 24.225 7.507 ( 0.000 0.000 8.015) 8.015 7.663 ( 0.000 0.000 -0.852) 0.852 7.679 ( 0.000 0.000 -3.443) 3.443 7.777 ( 0.000 0.000 3.975) 3.975 7.957 ( 0.000 0.000 -3.512) 3.512 8.087 ( 0.000 0.000 6.494) 6.494 8.128 ( 0.000 0.000 -11.087) 11.087 8.278 ( 0.000 0.000 0.413) 0.413 8.426 ( 0.000 0.000 -0.218) 0.218 8.469 ( 0.000 0.000 12.131) 12.131 8.579 ( 0.000 0.000 -9.981) 9.981 8.587 ( 0.000 0.000 10.894) 10.894 8.849 ( 0.000 0.000 -12.667) 12.667 8.996 ( 0.000 0.000 -3.332) 3.332 9.284 ( 0.000 0.000 -6.630) 6.630 9.479 ( 0.000 0.000 -12.304) 12.304 9.561 ( 0.000 0.000 -27.957) 27.957 9.648 ( 0.000 0.000 -12.965) 12.965 9.784 ( 0.000 0.000 2.357) 2.357 9.839 ( 0.000 0.000 1.285) 1.285 9.984 ( 0.000 0.000 5.167) 5.167 10.292 ( 0.000 0.000 5.102) 5.102 10.294 ( 0.000 0.000 -26.737) 26.737 10.425 ( 0.000 0.000 12.675) 12.675 10.425 ( 0.000 0.000 15.578) 15.578 10.488 ( 0.000 0.000 -6.077) 6.077 10.909 ( 0.000 0.000 -9.607) 9.607 10.992 ( 0.000 0.000 -6.898) 6.898 11.035 ( 0.000 0.000 -0.567) 0.567 11.145 ( 0.000 0.000 -2.353) 2.353 11.202 ( 0.000 0.000 10.987) 10.987 11.210 ( 0.000 0.000 4.639) 4.639 11.353 ( 0.000 0.000 -1.076) 1.076 11.494 ( 0.000 0.000 21.334) 21.334 11.540 ( 0.000 0.000 19.787) 19.787 11.634 ( 0.000 0.000 12.809) 12.809 11.940 ( 0.000 0.000 -1.444) 1.444 11.964 ( 0.000 0.000 -3.791) 3.791 11.976 ( 0.000 0.000 4.773) 4.773 12.053 ( 0.000 0.000 23.487) 23.487 12.131 ( 0.000 0.000 1.301) 1.301 12.154 ( 0.000 0.000 1.383) 1.383 12.215 ( 0.000 0.000 -2.454) 2.454 12.319 ( 0.000 0.000 1.168) 1.168 12.410 ( 0.000 0.000 -1.590) 1.590 12.472 ( 0.000 0.000 -7.385) 7.385 12.484 ( 0.000 0.000 -3.392) 3.392 12.627 ( 0.000 0.000 12.999) 12.999 12.627 ( 0.000 0.000 -11.057) 11.057 12.867 ( 0.000 0.000 1.503) 1.503 12.895 ( 0.000 0.000 -5.274) 5.274 12.924 ( 0.000 0.000 -4.636) 4.636 13.206 ( 0.000 0.000 -12.294) 12.294 13.220 ( 0.000 0.000 -10.335) 10.335 13.261 ( 0.000 0.000 12.030) 12.030 13.304 ( 0.000 0.000 -1.711) 1.711 13.387 ( 0.000 0.000 -9.537) 9.537 13.394 ( 0.000 0.000 8.719) 8.719 13.748 ( 0.000 0.000 -4.434) 4.434 13.831 ( 0.000 0.000 -14.886) 14.886 14.007 ( 0.000 0.000 7.034) 7.034 14.094 ( 0.000 0.000 14.169) 14.169 14.259 ( 0.000 0.000 12.253) 12.253 14.662 ( 0.000 0.000 -0.361) 0.361 14.706 ( 0.000 0.000 16.387) 16.387 14.870 ( 0.000 0.000 7.427) 7.427 14.879 ( 0.000 0.000 -4.615) 4.615 15.061 ( 0.000 0.000 -18.835) 18.835 15.266 ( 0.000 0.000 -7.742) 7.742 15.486 ( 0.000 0.000 -18.241) 18.241 15.648 ( 0.000 0.000 7.570) 7.570 15.653 ( 0.000 0.000 -2.730) 2.730 15.711 ( 0.000 0.000 7.087) 7.087 15.917 ( 0.000 0.000 -4.292) 4.292 16.114 ( 0.000 0.000 -19.328) 19.328 16.239 ( 0.000 0.000 -21.102) 21.102 16.633 ( 0.000 0.000 22.313) 22.313 16.961 ( 0.000 0.000 -1.831) 1.831 17.049 ( 0.000 0.000 -9.109) 9.109 17.099 ( 0.000 0.000 16.037) 16.037 17.254 ( 0.000 0.000 9.113) 9.113 17.330 ( 0.000 0.000 24.156) 24.156 17.448 ( 0.000 0.000 -9.208) 9.208 17.770 ( 0.000 0.000 17.867) 17.867 17.864 ( 0.000 0.000 -8.561) 8.561 17.874 ( 0.000 0.000 -4.903) 4.903 17.940 ( 0.000 0.000 1.865) 1.865 18.028 ( 0.000 0.000 0.452) 0.452 18.088 ( 0.000 0.000 -3.960) 3.960 18.182 ( 0.000 0.000 -1.355) 1.355 18.289 ( 0.000 0.000 1.972) 1.972 18.316 ( 0.000 0.000 -1.889) 1.889 18.449 ( 0.000 0.000 -11.729) 11.729 18.508 ( 0.000 0.000 -8.762) 8.762 18.694 ( 0.000 0.000 0.325) 0.325 18.735 ( 0.000 0.000 2.553) 2.553 18.840 ( 0.000 0.000 -1.637) 1.637 18.956 ( 0.000 0.000 -11.711) 11.711 19.305 ( 0.000 0.000 0.355) 0.355 19.318 ( 0.000 0.000 5.175) 5.175 19.380 ( 0.000 0.000 4.158) 4.158 19.470 ( 0.000 0.000 5.225) 5.225 19.838 ( 0.000 0.000 10.780) 10.780 19.872 ( 0.000 0.000 8.236) 8.236 20.426 ( 0.000 0.000 -2.114) 2.114 20.534 ( 0.000 0.000 -7.116) 7.116 20.550 ( 0.000 0.000 -4.553) 4.553 20.638 ( 0.000 0.000 2.282) 2.282 20.656 ( 0.000 0.000 -1.290) 1.290 20.723 ( 0.000 0.000 -1.270) 1.270 20.859 ( 0.000 0.000 -10.906) 10.906 20.921 ( 0.000 0.000 -8.609) 8.609 21.041 ( 0.000 0.000 10.261) 10.261 21.052 ( 0.000 0.000 11.318) 11.318 21.248 ( 0.000 0.000 0.153) 0.153 21.583 ( 0.000 0.000 -9.555) 9.555 21.905 ( 0.000 0.000 4.283) 4.283 22.225 ( 0.000 0.000 7.343) 7.343 22.317 ( 0.000 0.000 -0.055) 0.055 22.323 ( 0.000 0.000 -12.097) 12.097 22.451 ( 0.000 0.000 7.680) 7.680 22.523 ( 0.000 0.000 18.873) 18.873 22.843 ( 0.000 0.000 3.149) 3.149 22.946 ( 0.000 0.000 -2.296) 2.296 23.004 ( 0.000 0.000 -6.648) 6.648 23.209 ( 0.000 0.000 -9.042) 9.042 23.483 ( 0.000 0.000 -5.941) 5.941 23.583 ( 0.000 0.000 2.451) 2.451 23.653 ( 0.000 0.000 -8.274) 8.274 23.676 ( 0.000 0.000 -2.884) 2.884 23.831 ( 0.000 0.000 6.025) 6.025 23.944 ( 0.000 0.000 10.057) 10.057 23.979 ( 0.000 0.000 -2.079) 2.079 24.248 ( 0.000 0.000 1.135) 1.135 24.278 ( 0.000 0.000 2.503) 2.503 24.322 ( 0.000 0.000 4.872) 4.872 24.325 ( 0.000 0.000 -3.180) 3.180 24.875 ( 0.000 0.000 20.321) 20.321 25.018 ( 0.000 0.000 -17.545) 17.545 25.074 ( 0.000 0.000 0.239) 0.239 25.317 ( 0.000 0.000 6.333) 6.333 25.402 ( 0.000 0.000 -5.864) 5.864 25.572 ( 0.000 0.000 -10.823) 10.823 25.708 ( 0.000 0.000 5.607) 5.607 25.808 ( 0.000 0.000 -21.497) 21.497 25.924 ( 0.000 0.000 -2.469) 2.469 26.250 ( 0.000 0.000 2.157) 2.157 26.282 ( 0.000 0.000 -0.151) 0.151 26.349 ( 0.000 0.000 20.800) 20.800 27.200 ( 0.000 0.000 -18.310) 18.310 27.445 ( 0.000 0.000 11.989) 11.989 27.822 ( 0.000 0.000 -4.515) 4.515 28.131 ( 0.000 0.000 9.685) 9.685 28.284 ( 0.000 0.000 2.535) 2.535 28.375 ( 0.000 0.000 4.739) 4.739 28.457 ( 0.000 0.000 -4.325) 4.325 28.678 ( 0.000 0.000 -5.574) 5.574 28.712 ( 0.000 0.000 -13.308) 13.308 28.811 ( 0.000 0.000 1.953) 1.953 28.827 ( 0.000 0.000 1.382) 1.382 28.886 ( 0.000 0.000 9.923) 9.923 29.133 ( 0.000 0.000 13.315) 13.315 29.574 ( 0.000 0.000 -21.865) 21.865 29.855 ( 0.000 0.000 -16.661) 16.661 29.873 ( 0.000 0.000 7.277) 7.277 30.153 ( 0.000 0.000 -3.291) 3.291 30.375 ( 0.000 0.000 14.311) 14.311 30.721 ( 0.000 0.000 -3.650) 3.650 30.772 ( 0.000 0.000 0.159) 0.159 30.772 ( 0.000 0.000 2.922) 2.922 30.851 ( 0.000 0.000 2.541) 2.541 30.953 ( 0.000 0.000 7.709) 7.709 31.019 ( 0.000 0.000 1.509) 1.509 31.030 ( 0.000 0.000 -2.636) 2.636 31.516 ( 0.000 0.000 -8.663) 8.663 31.657 ( 0.000 0.000 -8.810) 8.810 31.940 ( 0.000 0.000 2.925) 2.925 31.961 ( 0.000 0.000 3.685) 3.685 32.068 ( 0.000 0.000 7.185) 7.185 32.171 ( 0.000 0.000 9.755) 9.755 32.468 ( 0.000 0.000 -8.902) 8.902 32.495 ( 0.000 0.000 -3.890) 3.890 32.773 ( 0.000 0.000 -0.414) 0.414 32.888 ( 0.000 0.000 -4.673) 4.673 32.990 ( 0.000 0.000 6.133) 6.133 33.066 ( 0.000 0.000 2.588) 2.588 33.521 ( 0.000 0.000 0.694) 0.694 33.583 ( 0.000 0.000 -1.992) 1.992 33.632 ( 0.000 0.000 0.455) 0.455 33.641 ( 0.000 0.000 0.525) 0.525 34.609 ( 0.000 0.000 0.271) 0.271 34.633 ( 0.000 0.000 -0.659) 0.659 ======================= Grid point 56 (20/54) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.091 ( 28.975 0.000 24.868) 38.184 1.237 ( 28.191 0.000 29.043) 40.475 1.932 ( 34.078 0.000 25.514) 42.571 2.005 ( -8.450 0.000 15.830) 17.944 2.152 ( 18.683 0.000 4.372) 19.188 2.324 ( -15.340 0.000 -4.962) 16.122 2.327 ( 5.155 0.000 -16.921) 17.689 2.758 ( 1.869 0.000 -3.636) 4.089 2.777 ( -7.566 0.000 5.445) 9.322 2.882 ( 2.435 0.000 -5.890) 6.373 2.932 ( -9.411 0.000 -5.066) 10.688 3.062 ( 3.123 0.000 3.770) 4.896 3.133 ( 3.174 0.000 1.969) 3.735 3.205 ( 5.770 0.000 6.086) 8.386 3.226 ( 0.378 0.000 0.749) 0.839 3.292 ( -3.057 0.000 3.140) 4.382 3.414 ( -4.252 0.000 -0.068) 4.253 3.431 ( -2.250 0.000 -2.565) 3.412 3.511 ( -7.632 0.000 -3.648) 8.459 3.512 ( -4.946 0.000 -4.759) 6.864 3.619 ( 0.213 0.000 -1.339) 1.356 3.650 ( -0.570 0.000 -6.566) 6.591 3.822 ( -5.911 0.000 -1.211) 6.034 3.855 ( 4.555 0.000 -15.575) 16.228 4.171 ( -2.921 0.000 -2.339) 3.742 4.230 ( -23.511 0.000 -5.462) 24.137 4.345 ( 2.070 0.000 4.938) 5.354 4.428 ( -3.397 0.000 1.562) 3.739 4.724 ( 3.254 0.000 3.274) 4.616 4.824 ( -2.534 0.000 -2.413) 3.499 5.038 ( -8.751 0.000 2.478) 9.095 5.047 ( -9.207 0.000 2.665) 9.585 5.289 ( 11.100 0.000 2.295) 11.335 5.365 ( 18.055 0.000 -2.676) 18.252 5.688 ( -6.005 0.000 4.731) 7.645 5.914 ( -6.266 0.000 -5.052) 8.049 6.350 ( 9.798 0.000 3.683) 10.467 6.436 ( 9.805 0.000 -2.448) 10.106 6.532 ( 4.399 0.000 5.466) 7.016 6.682 ( -5.234 0.000 11.830) 12.936 6.873 ( 1.865 0.000 11.081) 11.237 6.951 ( 4.471 0.000 -1.121) 4.610 6.976 ( -11.707 0.000 9.753) 15.238 7.155 ( -4.483 0.000 -9.327) 10.349 7.195 ( 4.967 0.000 -0.338) 4.979 7.322 ( 3.231 0.000 1.832) 3.714 7.395 ( -11.618 0.000 -6.888) 13.506 7.420 ( -4.220 0.000 1.960) 4.653 7.492 ( 7.616 0.000 -1.398) 7.743 7.575 ( 10.986 0.000 -6.348) 12.689 7.752 ( 9.348 0.000 -0.777) 9.381 7.881 ( 4.606 0.000 7.008) 8.386 7.925 ( -2.617 0.000 -2.250) 3.451 8.032 ( -4.453 0.000 5.954) 7.435 8.142 ( -4.688 0.000 5.800) 7.458 8.302 ( -9.627 0.000 3.209) 10.147 8.410 ( 8.170 0.000 -6.691) 10.560 8.430 ( 0.401 0.000 -3.338) 3.362 8.451 ( -0.178 0.000 2.134) 2.141 8.713 ( 8.594 0.000 -0.686) 8.622 8.973 ( -1.451 0.000 -5.635) 5.819 9.122 ( -11.837 0.000 -19.052) 22.430 9.167 ( -18.539 0.000 -17.628) 25.582 9.266 ( 18.220 0.000 -18.551) 26.001 9.595 ( 5.942 0.000 -4.813) 7.646 9.778 ( 2.257 0.000 -13.832) 14.015 9.792 ( -14.287 0.000 5.231) 15.214 9.833 ( -12.617 0.000 9.560) 15.830 9.899 ( 13.684 0.000 1.879) 13.812 10.227 ( 9.105 0.000 7.651) 11.893 10.300 ( -9.950 0.000 10.136) 14.204 10.364 ( -2.565 0.000 -18.535) 18.712 10.480 ( 0.548 0.000 0.195) 0.582 10.554 ( 4.199 0.000 2.714) 5.000 10.662 ( -12.185 0.000 5.749) 13.473 10.850 ( -7.419 0.000 -6.250) 9.701 11.024 ( 3.822 0.000 -6.972) 7.951 11.193 ( 3.508 0.000 -6.205) 7.128 11.222 ( 1.921 0.000 1.220) 2.276 11.285 ( -5.075 0.000 -1.522) 5.298 11.363 ( 3.023 0.000 11.354) 11.750 11.506 ( -1.209 0.000 16.395) 16.440 11.604 ( 4.042 0.000 3.608) 5.418 11.796 ( 13.732 0.000 10.837) 17.493 11.845 ( -8.432 0.000 -8.198) 11.760 12.000 ( -1.614 0.000 -1.278) 2.059 12.020 ( 1.694 0.000 21.132) 21.200 12.093 ( 7.306 0.000 2.483) 7.716 12.132 ( -9.736 0.000 -1.107) 9.799 12.150 ( -7.348 0.000 -2.100) 7.642 12.154 ( 2.556 0.000 4.825) 5.460 12.204 ( 7.510 0.000 2.306) 7.856 12.334 ( -7.214 0.000 12.650) 14.562 12.486 ( -3.138 0.000 -4.124) 5.182 12.511 ( 6.541 0.000 0.076) 6.541 12.612 ( -12.091 0.000 1.187) 12.149 12.632 ( 7.401 0.000 -7.096) 10.253 12.790 ( -6.167 0.000 -3.177) 6.937 12.871 ( 3.572 0.000 -6.470) 7.391 13.023 ( 12.912 0.000 4.281) 13.603 13.167 ( 0.516 0.000 -3.975) 4.008 13.226 ( -7.923 0.000 -9.638) 12.477 13.296 ( 3.257 0.000 5.842) 6.688 13.389 ( 5.592 0.000 2.323) 6.055 13.436 ( 1.870 0.000 -2.489) 3.113 13.611 ( 3.748 0.000 1.180) 3.929 13.728 ( -1.165 0.000 -4.167) 4.327 13.874 ( 6.611 0.000 -3.556) 7.507 14.101 ( 13.357 0.000 7.427) 15.283 14.204 ( 10.097 0.000 7.445) 12.545 14.251 ( -1.033 0.000 10.965) 11.014 14.524 ( -11.136 0.000 3.780) 11.760 14.793 ( 4.023 0.000 10.584) 11.323 14.832 ( -3.712 0.000 -1.052) 3.858 14.904 ( 4.284 0.000 -1.339) 4.488 15.051 ( 2.289 0.000 -14.900) 15.075 15.228 ( -4.138 0.000 -9.747) 10.589 15.394 ( -8.581 0.000 -15.096) 17.364 15.460 ( -12.224 0.000 3.464) 12.706 15.706 ( 5.648 0.000 0.172) 5.650 15.776 ( 2.537 0.000 1.090) 2.761 15.792 ( 0.158 0.000 -2.169) 2.175 16.075 ( -16.884 0.000 -6.221) 17.993 16.275 ( -9.166 0.000 -6.133) 11.028 16.593 ( 0.536 0.000 2.883) 2.932 16.662 ( -0.691 0.000 -7.200) 7.234 16.863 ( -3.654 0.000 -9.359) 10.047 17.305 ( -14.158 0.000 -10.687) 17.739 17.322 ( 7.349 0.000 20.207) 21.502 17.446 ( 11.701 0.000 6.534) 13.402 17.548 ( 9.625 0.000 9.558) 13.564 17.737 ( 4.431 0.000 11.000) 11.859 17.800 ( -7.894 0.000 5.533) 9.640 17.832 ( -5.457 0.000 -3.899) 6.707 18.036 ( -0.354 0.000 2.265) 2.293 18.063 ( 3.645 0.000 2.033) 4.174 18.118 ( -3.808 0.000 -6.754) 7.753 18.193 ( 6.991 0.000 -5.469) 8.877 18.275 ( 2.424 0.000 -3.740) 4.457 18.378 ( 0.771 0.000 -5.086) 5.144 18.483 ( 1.832 0.000 -7.085) 7.318 18.500 ( 0.678 0.000 -5.784) 5.824 18.712 ( 1.244 0.000 -0.039) 1.245 18.730 ( -0.629 0.000 2.756) 2.827 18.900 ( 4.997 0.000 -2.316) 5.508 18.983 ( 1.725 0.000 -10.715) 10.853 19.355 ( 4.510 0.000 4.714) 6.524 19.413 ( 5.522 0.000 5.315) 7.664 19.479 ( 11.359 0.000 6.899) 13.290 19.651 ( 13.019 0.000 6.466) 14.537 19.901 ( 3.919 0.000 3.787) 5.450 19.905 ( 7.462 0.000 7.114) 10.310 20.291 ( -11.091 0.000 -3.290) 11.568 20.350 ( -18.441 0.000 13.494) 22.851 20.375 ( -9.765 0.000 -1.461) 9.873 20.580 ( 4.445 0.000 -6.240) 7.661 20.707 ( 8.455 0.000 2.533) 8.827 20.764 ( -14.589 0.000 -7.328) 16.326 20.816 ( 1.875 0.000 -2.937) 3.484 20.922 ( -3.311 0.000 3.222) 4.620 20.962 ( 3.148 0.000 -8.775) 9.322 21.069 ( -8.847 0.000 -2.908) 9.313 21.244 ( 4.162 0.000 6.643) 7.839 21.277 ( -19.349 0.000 6.335) 20.359 21.936 ( -13.009 0.000 2.988) 13.348 21.993 ( 3.879 0.000 0.394) 3.899 22.291 ( -3.182 0.000 14.689) 15.030 22.306 ( -2.463 0.000 9.843) 10.147 22.626 ( 10.235 0.000 -4.138) 11.040 22.633 ( 10.754 0.000 2.560) 11.054 22.841 ( -4.284 0.000 -1.850) 4.666 22.878 ( 1.129 0.000 1.681) 2.025 23.106 ( -16.593 0.000 16.539) 23.428 23.129 ( -7.067 0.000 -7.879) 10.584 23.147 ( 11.436 0.000 -2.270) 11.659 23.533 ( -4.252 0.000 -1.519) 4.515 23.535 ( -3.612 0.000 -2.416) 4.346 23.582 ( -6.149 0.000 0.494) 6.169 23.717 ( -3.691 0.000 4.248) 5.627 23.847 ( -11.647 0.000 1.830) 11.789 23.898 ( -3.101 0.000 -0.805) 3.204 24.031 ( -9.687 0.000 -8.664) 12.996 24.152 ( 7.581 0.000 7.609) 10.741 24.341 ( -0.334 0.000 3.205) 3.223 24.553 ( 9.997 0.000 3.714) 10.665 24.898 ( 8.014 0.000 0.752) 8.049 25.035 ( -16.160 0.000 -10.251) 19.137 25.342 ( -6.352 0.000 -20.780) 21.729 25.384 ( 22.556 0.000 10.641) 24.939 25.496 ( 13.147 0.000 6.461) 14.649 25.578 ( -1.387 0.000 0.937) 1.674 25.985 ( 7.959 0.000 3.649) 8.756 26.012 ( 10.994 0.000 -11.349) 15.801 26.233 ( -9.286 0.000 20.012) 22.062 26.304 ( 3.180 0.000 -0.328) 3.197 26.404 ( 22.254 0.000 -7.447) 23.467 26.709 ( 25.571 0.000 -37.772) 45.614 27.143 ( -6.326 0.000 -20.590) 21.540 27.454 ( -3.230 0.000 13.663) 14.039 27.860 ( 2.274 0.000 -3.953) 4.560 28.010 ( 4.610 0.000 -9.616) 10.664 28.174 ( -4.590 0.000 3.681) 5.884 28.240 ( -30.319 0.000 3.529) 30.524 28.348 ( -6.899 0.000 -9.244) 11.535 28.670 ( 0.053 0.000 8.431) 8.432 28.785 ( 18.512 0.000 -5.474) 19.304 28.795 ( -3.428 0.000 -3.329) 4.779 28.901 ( 15.861 0.000 -2.177) 16.010 29.068 ( 10.048 0.000 0.094) 10.049 29.255 ( 2.050 0.000 -8.153) 8.407 29.580 ( -2.757 0.000 -1.111) 2.973 29.754 ( -11.075 0.000 -6.310) 12.747 29.925 ( 7.506 0.000 -0.836) 7.552 30.112 ( -2.016 0.000 -2.246) 3.018 30.426 ( 3.802 0.000 13.995) 14.503 30.584 ( -6.414 0.000 1.974) 6.711 30.687 ( -7.194 0.000 -2.756) 7.704 30.694 ( -6.449 0.000 1.869) 6.714 30.880 ( 0.402 0.000 0.530) 0.665 30.944 ( 2.621 0.000 -6.836) 7.321 31.125 ( 9.537 0.000 7.187) 11.941 31.235 ( 12.196 0.000 7.194) 14.160 31.504 ( -1.733 0.000 -6.467) 6.695 31.756 ( -0.495 0.000 -7.027) 7.045 31.891 ( 0.123 0.000 7.502) 7.503 31.951 ( -0.841 0.000 4.691) 4.766 32.053 ( -1.197 0.000 6.038) 6.155 32.088 ( -4.786 0.000 5.552) 7.330 32.438 ( -1.035 0.000 -5.565) 5.660 32.535 ( 2.932 0.000 -9.524) 9.965 32.794 ( 2.339 0.000 0.794) 2.470 32.896 ( -0.490 0.000 -2.379) 2.429 33.006 ( 1.386 0.000 6.683) 6.825 33.072 ( -0.420 0.000 4.967) 4.985 33.355 ( -7.102 0.000 8.066) 10.747 33.513 ( -7.148 0.000 -1.932) 7.404 33.627 ( -0.465 0.000 0.509) 0.690 33.628 ( -0.241 0.000 0.296) 0.382 34.518 ( -4.538 0.000 4.281) 6.239 34.565 ( -3.733 0.000 0.136) 3.736 ======================= Grid point 57 (21/54) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.675 ( -7.401 0.000 24.970) 26.044 1.675 ( 7.401 0.000 24.970) 26.044 1.757 ( -0.186 0.000 12.964) 12.965 1.757 ( 0.186 0.000 12.964) 12.965 2.428 ( -1.488 0.000 -13.117) 13.202 2.428 ( 1.488 0.000 -13.117) 13.202 2.612 ( -10.647 0.000 -9.129) 14.025 2.612 ( 10.647 0.000 -9.129) 14.025 2.820 ( -0.155 0.000 -3.619) 3.622 2.820 ( 0.155 0.000 -3.619) 3.622 3.019 ( -30.523 0.000 5.835) 31.076 3.019 ( 30.523 0.000 5.835) 31.076 3.205 ( -8.635 0.000 5.714) 10.354 3.205 ( 8.635 0.000 5.714) 10.354 3.260 ( -0.010 0.000 1.082) 1.082 3.260 ( 0.010 0.000 1.082) 1.082 3.313 ( -4.631 0.000 5.435) 7.141 3.313 ( 4.631 0.000 5.435) 7.141 3.408 ( -2.532 0.000 -1.408) 2.897 3.408 ( 2.532 0.000 -1.408) 2.897 3.636 ( -0.099 0.000 4.238) 4.239 3.636 ( 0.099 0.000 4.238) 4.239 3.771 ( -0.681 0.000 -9.036) 9.062 3.771 ( 0.681 0.000 -9.036) 9.062 4.110 ( -3.397 0.000 -12.522) 12.975 4.110 ( 3.397 0.000 -12.522) 12.975 4.379 ( -0.787 0.000 2.632) 2.747 4.379 ( 0.787 0.000 2.632) 2.747 4.814 ( -2.260 0.000 3.060) 3.804 4.814 ( 2.260 0.000 3.060) 3.804 4.908 ( -0.149 0.000 0.533) 0.554 4.908 ( 0.149 0.000 0.533) 0.554 5.460 ( -4.687 0.000 0.800) 4.754 5.460 ( 4.687 0.000 0.800) 4.754 5.751 ( -10.162 0.000 -0.420) 10.170 5.751 ( 10.162 0.000 -0.420) 10.170 6.511 ( -6.730 0.000 9.115) 11.331 6.511 ( 6.730 0.000 9.115) 11.331 6.658 ( -4.789 0.000 1.685) 5.077 6.658 ( 4.789 0.000 1.685) 5.077 6.800 ( -4.930 0.000 4.831) 6.902 6.800 ( 4.930 0.000 4.831) 6.902 7.059 ( -7.601 0.000 -7.126) 10.419 7.059 ( 7.601 0.000 -7.126) 10.419 7.165 ( -4.219 0.000 0.894) 4.313 7.165 ( 4.219 0.000 0.894) 4.313 7.479 ( -3.641 0.000 -3.720) 5.205 7.479 ( 3.641 0.000 -3.720) 5.205 7.694 ( -9.639 0.000 7.447) 12.181 7.694 ( 9.639 0.000 7.447) 12.181 7.854 ( -0.158 0.000 2.756) 2.760 7.854 ( 0.158 0.000 2.756) 2.760 7.941 ( -1.567 0.000 2.730) 3.148 7.941 ( 1.567 0.000 2.730) 3.148 8.148 ( -1.996 0.000 0.074) 1.997 8.148 ( 1.996 0.000 0.074) 1.997 8.458 ( -0.714 0.000 -6.904) 6.941 8.458 ( 0.714 0.000 -6.904) 6.941 8.615 ( -18.002 0.000 -16.611) 24.495 8.615 ( 18.002 0.000 -16.611) 24.495 8.860 ( -8.359 0.000 4.501) 9.493 8.860 ( 8.359 0.000 4.501) 9.493 9.312 ( -12.516 0.000 -9.358) 15.627 9.312 ( 12.516 0.000 -9.358) 15.627 9.615 ( -0.737 0.000 3.362) 3.442 9.615 ( 0.737 0.000 3.362) 3.442 9.803 ( -0.139 0.000 -8.604) 8.605 9.803 ( 0.139 0.000 -8.604) 8.605 10.136 ( -0.098 0.000 -3.715) 3.717 10.136 ( 0.098 0.000 -3.715) 3.717 10.231 ( -14.156 0.000 -0.985) 14.190 10.231 ( 14.156 0.000 -0.985) 14.190 10.594 ( -4.944 0.000 6.287) 7.998 10.594 ( 4.944 0.000 6.287) 7.998 10.663 ( -6.885 0.000 0.804) 6.932 10.663 ( 6.885 0.000 0.804) 6.932 11.166 ( -7.556 0.000 -6.154) 9.745 11.166 ( 7.556 0.000 -6.154) 9.745 11.242 ( -0.603 0.000 -1.370) 1.496 11.242 ( 0.603 0.000 -1.370) 1.496 11.400 ( -5.514 0.000 6.036) 8.175 11.400 ( 5.514 0.000 6.036) 8.175 11.711 ( -3.424 0.000 -7.634) 8.367 11.711 ( 3.424 0.000 -7.634) 8.367 11.938 ( -1.617 0.000 8.789) 8.937 11.938 ( 1.617 0.000 8.789) 8.937 12.011 ( -0.001 0.000 0.574) 0.574 12.011 ( 0.001 0.000 0.574) 0.574 12.164 ( -1.391 0.000 15.270) 15.334 12.164 ( 1.391 0.000 15.270) 15.334 12.276 ( -7.447 0.000 1.318) 7.562 12.276 ( 7.447 0.000 1.318) 7.562 12.346 ( -8.692 0.000 6.593) 10.909 12.346 ( 8.692 0.000 6.593) 10.909 12.527 ( -10.714 0.000 1.575) 10.829 12.527 ( 10.714 0.000 1.575) 10.829 12.715 ( -5.070 0.000 -8.106) 9.561 12.715 ( 5.070 0.000 -8.106) 9.561 12.979 ( -9.734 0.000 -7.353) 12.199 12.979 ( 9.734 0.000 -7.353) 12.199 13.260 ( -0.930 0.000 1.488) 1.754 13.260 ( 0.930 0.000 1.488) 1.754 13.323 ( -4.149 0.000 1.039) 4.277 13.323 ( 4.149 0.000 1.039) 4.277 13.503 ( -4.737 0.000 4.000) 6.200 13.503 ( 4.737 0.000 4.000) 6.200 13.878 ( -4.612 0.000 -2.797) 5.393 13.878 ( 4.612 0.000 -2.797) 5.393 14.288 ( -4.801 0.000 5.760) 7.498 14.288 ( 4.801 0.000 5.760) 7.498 14.332 ( -0.817 0.000 8.218) 8.259 14.332 ( 0.817 0.000 8.218) 8.259 14.792 ( -0.054 0.000 5.314) 5.314 14.792 ( 0.054 0.000 5.314) 5.314 15.087 ( -8.764 0.000 -10.924) 14.005 15.087 ( 8.764 0.000 -10.924) 14.005 15.188 ( -10.391 0.000 -10.638) 14.871 15.188 ( 10.391 0.000 -10.638) 14.871 15.531 ( -18.262 0.000 0.640) 18.273 15.531 ( 18.262 0.000 0.640) 18.273 15.822 ( -0.612 0.000 0.767) 0.981 15.822 ( 0.612 0.000 0.767) 0.981 15.977 ( -12.369 0.000 5.317) 13.463 15.977 ( 12.369 0.000 5.317) 13.463 16.666 ( -4.025 0.000 -18.007) 18.451 16.666 ( 4.025 0.000 -18.007) 18.451 16.988 ( -14.241 0.000 -12.046) 18.652 16.988 ( 14.241 0.000 -12.046) 18.652 17.528 ( -7.214 0.000 15.488) 17.086 17.528 ( 7.214 0.000 15.488) 17.086 17.617 ( -1.975 0.000 7.290) 7.552 17.617 ( 1.975 0.000 7.290) 7.552 17.803 ( -0.030 0.000 6.118) 6.118 17.803 ( 0.030 0.000 6.118) 6.118 18.015 ( -1.779 0.000 -6.205) 6.455 18.015 ( 1.779 0.000 -6.205) 6.455 18.219 ( -4.018 0.000 1.657) 4.347 18.219 ( 4.018 0.000 1.657) 4.347 18.332 ( -2.691 0.000 -6.572) 7.101 18.332 ( 2.691 0.000 -6.572) 7.101 18.509 ( -0.403 0.000 -3.975) 3.995 18.509 ( 0.403 0.000 -3.975) 3.995 18.722 ( -0.073 0.000 3.485) 3.486 18.722 ( 0.073 0.000 3.485) 3.486 18.981 ( -1.608 0.000 -6.471) 6.668 18.981 ( 1.608 0.000 -6.471) 6.668 19.440 ( -2.878 0.000 12.296) 12.628 19.440 ( 2.878 0.000 12.296) 12.628 19.707 ( -7.599 0.000 5.547) 9.408 19.707 ( 7.599 0.000 5.547) 9.408 20.039 ( -5.722 0.000 -2.972) 6.448 20.039 ( 5.722 0.000 -2.972) 6.448 20.140 ( -1.435 0.000 12.428) 12.510 20.140 ( 1.435 0.000 12.428) 12.510 20.391 ( -16.821 0.000 -9.701) 19.418 20.391 ( 16.821 0.000 -9.701) 19.418 20.724 ( -8.691 0.000 -6.165) 10.655 20.724 ( 8.691 0.000 -6.165) 10.655 20.906 ( -4.710 0.000 1.663) 4.995 20.906 ( 4.710 0.000 1.663) 4.995 20.964 ( -12.902 0.000 1.165) 12.955 20.964 ( 12.902 0.000 1.165) 12.955 21.136 ( -9.773 0.000 -4.579) 10.793 21.136 ( 9.773 0.000 -4.579) 10.793 21.881 ( -5.554 0.000 16.527) 17.436 21.881 ( 5.554 0.000 16.527) 17.436 22.354 ( -0.717 0.000 -0.045) 0.719 22.354 ( 0.717 0.000 -0.045) 0.719 22.682 ( -1.176 0.000 -2.679) 2.926 22.682 ( 1.176 0.000 -2.679) 2.926 22.917 ( -4.392 0.000 6.418) 7.777 22.917 ( 4.392 0.000 6.418) 7.777 22.966 ( -9.729 0.000 -1.089) 9.790 22.966 ( 9.729 0.000 -1.089) 9.790 23.393 ( -11.680 0.000 -2.908) 12.037 23.393 ( 11.680 0.000 -2.908) 12.037 23.493 ( -0.120 0.000 0.213) 0.244 23.493 ( 0.120 0.000 0.213) 0.244 23.685 ( -2.473 0.000 3.955) 4.664 23.685 ( 2.473 0.000 3.955) 4.664 23.908 ( -3.313 0.000 -7.101) 7.836 23.908 ( 3.313 0.000 -7.101) 7.836 24.280 ( -4.921 0.000 7.216) 8.734 24.280 ( 4.921 0.000 7.216) 8.734 24.758 ( -11.896 0.000 -5.140) 12.959 24.758 ( 11.896 0.000 -5.140) 12.959 25.137 ( -13.171 0.000 -10.949) 17.128 25.137 ( 13.171 0.000 -10.949) 17.128 25.568 ( -0.676 0.000 0.559) 0.877 25.568 ( 0.676 0.000 0.559) 0.877 25.874 ( -19.571 0.000 13.642) 23.857 25.874 ( 19.571 0.000 13.642) 23.857 26.139 ( -1.523 0.000 5.791) 5.988 26.139 ( 1.523 0.000 5.791) 5.988 26.547 ( -21.935 0.000 2.033) 22.029 26.547 ( 21.935 0.000 2.033) 22.029 26.903 ( -19.618 0.000 -23.302) 30.460 26.903 ( 19.618 0.000 -23.302) 30.460 27.606 ( -19.208 0.000 4.383) 19.702 27.606 ( 19.208 0.000 4.383) 19.702 28.021 ( -4.197 0.000 -1.225) 4.372 28.021 ( 4.197 0.000 -1.225) 4.372 28.230 ( -2.647 0.000 -14.560) 14.798 28.230 ( 2.647 0.000 -14.560) 14.798 28.701 ( -3.917 0.000 4.886) 6.262 28.701 ( 3.917 0.000 4.886) 6.262 29.089 ( -3.278 0.000 -5.224) 6.167 29.089 ( 3.278 0.000 -5.224) 6.167 29.228 ( -3.335 0.000 -9.963) 10.506 29.228 ( 3.335 0.000 -9.963) 10.506 29.525 ( -5.021 0.000 -0.425) 5.039 29.525 ( 5.021 0.000 -0.425) 5.039 30.069 ( -3.270 0.000 1.442) 3.573 30.069 ( 3.270 0.000 1.442) 3.573 30.495 ( -3.547 0.000 7.101) 7.938 30.495 ( 3.547 0.000 7.101) 7.938 30.608 ( -0.103 0.000 -1.519) 1.522 30.608 ( 0.103 0.000 -1.519) 1.522 30.930 ( -1.457 0.000 -3.826) 4.094 30.930 ( 1.457 0.000 -3.826) 4.094 31.311 ( -6.180 0.000 6.086) 8.673 31.311 ( 6.180 0.000 6.086) 8.673 31.572 ( -5.022 0.000 5.054) 7.125 31.572 ( 5.022 0.000 5.054) 7.125 31.937 ( -0.042 0.000 2.830) 2.830 31.937 ( 0.042 0.000 2.830) 2.830 32.041 ( -0.050 0.000 3.901) 3.901 32.041 ( 0.050 0.000 3.901) 3.901 32.509 ( -0.627 0.000 -11.498) 11.515 32.509 ( 0.627 0.000 -11.498) 11.515 32.856 ( -0.765 0.000 0.786) 1.097 32.856 ( 0.765 0.000 0.786) 1.097 33.038 ( -0.070 0.000 7.946) 7.946 33.038 ( 0.070 0.000 7.946) 7.946 33.366 ( -0.668 0.000 0.311) 0.737 33.366 ( 0.668 0.000 0.311) 0.737 33.625 ( -0.002 0.000 0.319) 0.319 33.625 ( 0.002 0.000 0.319) 0.319 34.500 ( -0.291 0.000 1.283) 1.316 34.500 ( 0.291 0.000 1.283) 1.316 ======================= Grid point 60 (22/54) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 18.040 32.249) 36.952 1.072 ( 0.000 26.598 24.622) 36.244 1.569 ( 0.000 13.062 56.743) 58.227 2.096 ( 0.000 9.329 -14.761) 17.462 2.128 ( 0.000 5.423 3.263) 6.329 2.360 ( 0.000 6.727 -9.884) 11.956 2.564 ( 0.000 1.010 -1.202) 1.570 2.719 ( 0.000 -2.397 -7.552) 7.923 2.780 ( 0.000 -0.907 -3.007) 3.141 2.907 ( 0.000 0.053 3.483) 3.484 2.968 ( 0.000 3.490 2.271) 4.164 3.076 ( 0.000 1.732 10.589) 10.730 3.116 ( 0.000 2.497 2.515) 3.544 3.172 ( 0.000 1.775 5.484) 5.764 3.281 ( 0.000 1.269 -3.497) 3.720 3.365 ( 0.000 -0.776 -4.173) 4.244 3.386 ( 0.000 -0.173 0.959) 0.974 3.447 ( 0.000 -1.553 -0.532) 1.641 3.508 ( 0.000 -3.086 -11.974) 12.366 3.535 ( 0.000 -2.330 0.330) 2.353 3.604 ( 0.000 -5.167 -7.508) 9.114 3.718 ( 0.000 3.892 -20.080) 20.453 3.742 ( 0.000 1.058 1.525) 1.856 3.929 ( 0.000 2.157 -3.021) 3.712 4.210 ( 0.000 -1.543 7.621) 7.776 4.342 ( 0.000 2.741 4.901) 5.616 4.471 ( 0.000 -1.175 0.125) 1.182 4.512 ( 0.000 -1.316 -6.119) 6.259 4.793 ( 0.000 -4.698 0.669) 4.745 4.879 ( 0.000 -3.740 -2.109) 4.294 4.960 ( 0.000 -2.014 4.406) 4.845 5.094 ( 0.000 -4.809 3.330) 5.849 5.121 ( 0.000 1.865 -2.450) 3.079 5.143 ( 0.000 -1.234 1.610) 2.028 5.772 ( 0.000 -0.335 2.533) 2.555 5.972 ( 0.000 -1.504 -5.064) 5.282 6.166 ( 0.000 -1.255 1.348) 1.842 6.343 ( 0.000 2.111 -5.824) 6.195 6.453 ( 0.000 -6.060 18.467) 19.436 6.709 ( 0.000 -1.838 16.918) 17.018 6.786 ( 0.000 -8.421 2.333) 8.738 6.817 ( 0.000 -0.501 9.204) 9.217 6.935 ( 0.000 -6.525 -1.720) 6.748 7.065 ( 0.000 -4.613 7.629) 8.916 7.189 ( 0.000 -0.643 4.229) 4.278 7.278 ( 0.000 -0.929 0.792) 1.221 7.435 ( 0.000 -3.357 -20.236) 20.512 7.457 ( 0.000 0.596 5.266) 5.300 7.570 ( 0.000 9.502 4.393) 10.469 7.684 ( 0.000 1.787 -1.284) 2.201 7.708 ( 0.000 0.080 0.381) 0.389 7.913 ( 0.000 9.306 -7.523) 11.966 7.981 ( 0.000 2.009 6.944) 7.229 8.104 ( 0.000 3.837 1.981) 4.318 8.132 ( 0.000 0.469 -11.022) 11.032 8.399 ( 0.000 -0.942 4.134) 4.240 8.459 ( 0.000 2.439 2.987) 3.856 8.550 ( 0.000 3.773 2.736) 4.661 8.578 ( 0.000 -0.118 -9.973) 9.974 8.797 ( 0.000 11.355 -21.683) 24.476 8.838 ( 0.000 -1.003 -12.957) 12.996 9.046 ( 0.000 4.912 -8.096) 9.470 9.289 ( 0.000 0.354 -5.950) 5.960 9.461 ( 0.000 -1.973 -10.627) 10.808 9.566 ( 0.000 0.397 -26.988) 26.991 9.636 ( 0.000 -1.087 -13.587) 13.630 9.774 ( 0.000 -0.918 2.150) 2.337 9.838 ( 0.000 -0.195 1.026) 1.044 9.979 ( 0.000 -0.698 6.715) 6.752 10.285 ( 0.000 -0.574 4.551) 4.587 10.360 ( 0.000 1.929 -10.725) 10.897 10.423 ( 0.000 -0.128 13.774) 13.774 10.424 ( 0.000 -0.556 -3.959) 3.998 10.496 ( 0.000 0.564 -6.646) 6.670 10.916 ( 0.000 0.611 -7.847) 7.871 10.939 ( 0.000 -5.691 -4.901) 7.510 11.003 ( 0.000 -3.183 -3.133) 4.466 11.132 ( 0.000 -1.274 -2.548) 2.849 11.195 ( 0.000 -1.028 9.391) 9.447 11.202 ( 0.000 -0.567 2.110) 2.185 11.311 ( 0.000 -3.955 -1.696) 4.304 11.407 ( 0.000 -6.881 16.745) 18.104 11.473 ( 0.000 -5.426 17.270) 18.102 11.698 ( 0.000 4.413 16.641) 17.216 11.945 ( 0.000 0.790 2.889) 2.995 11.996 ( 0.000 2.984 -2.664) 4.000 12.000 ( 0.000 1.987 9.824) 10.023 12.126 ( 0.000 -0.759 1.635) 1.802 12.127 ( 0.000 3.406 11.023) 11.537 12.144 ( 0.000 -0.514 2.317) 2.373 12.195 ( 0.000 -1.160 -0.841) 1.433 12.285 ( 0.000 -4.447 -0.802) 4.519 12.421 ( 0.000 -3.034 -6.125) 6.835 12.457 ( 0.000 -2.046 -3.122) 3.733 12.465 ( 0.000 5.504 -2.292) 5.962 12.644 ( 0.000 0.695 -8.015) 8.046 12.652 ( 0.000 2.087 12.673) 12.843 12.834 ( 0.000 -3.289 -5.546) 6.448 12.877 ( 0.000 0.934 1.781) 2.011 12.964 ( 0.000 1.295 -5.934) 6.074 13.206 ( 0.000 -1.115 -6.344) 6.441 13.213 ( 0.000 1.046 -10.939) 10.989 13.278 ( 0.000 -0.235 7.028) 7.032 13.304 ( 0.000 0.731 -3.444) 3.521 13.403 ( 0.000 1.394 -8.947) 9.055 13.461 ( 0.000 5.247 7.542) 9.188 13.773 ( 0.000 2.317 -3.565) 4.252 13.777 ( 0.000 -4.845 -14.201) 15.005 13.977 ( 0.000 -2.770 8.782) 9.209 14.101 ( 0.000 0.443 11.545) 11.554 14.276 ( 0.000 1.411 12.240) 12.321 14.597 ( 0.000 -5.500 0.555) 5.527 14.704 ( 0.000 0.104 16.915) 16.915 14.790 ( 0.000 -0.795 2.925) 3.031 15.056 ( 0.000 9.559 -2.945) 10.002 15.063 ( 0.000 0.349 -19.434) 19.437 15.303 ( 0.000 2.192 -10.855) 11.074 15.449 ( 0.000 -3.021 -16.733) 17.003 15.666 ( 0.000 2.317 9.254) 9.540 15.674 ( 0.000 1.425 -2.578) 2.945 15.744 ( 0.000 3.099 7.593) 8.202 15.938 ( 0.000 1.186 -3.089) 3.308 16.115 ( 0.000 0.126 -18.833) 18.834 16.283 ( 0.000 4.025 -20.331) 20.726 16.631 ( 0.000 -0.105 21.094) 21.095 16.972 ( 0.000 1.012 -2.431) 2.633 17.038 ( 0.000 -0.836 -8.294) 8.336 17.100 ( 0.000 0.139 15.972) 15.972 17.273 ( 0.000 1.516 6.929) 7.093 17.326 ( 0.000 -0.237 23.506) 23.507 17.438 ( 0.000 -0.659 -7.755) 7.783 17.755 ( 0.000 -0.729 20.450) 20.463 17.856 ( 0.000 -0.455 -9.011) 9.022 17.884 ( 0.000 0.646 -2.870) 2.942 17.941 ( 0.000 -0.157 1.378) 1.387 18.017 ( 0.000 -0.798 1.029) 1.302 18.093 ( 0.000 0.453 -4.904) 4.925 18.178 ( 0.000 -0.425 -1.327) 1.393 18.318 ( 0.000 0.207 -1.922) 1.933 18.325 ( 0.000 3.204 0.558) 3.252 18.448 ( 0.000 -0.025 -11.464) 11.464 18.512 ( 0.000 0.343 -8.017) 8.024 18.682 ( 0.000 -0.823 0.495) 0.960 18.731 ( 0.000 -0.338 2.832) 2.852 18.848 ( 0.000 0.752 -2.059) 2.192 18.956 ( 0.000 -0.063 -11.209) 11.209 19.291 ( 0.000 -0.700 2.552) 2.646 19.340 ( 0.000 1.420 3.875) 4.127 19.374 ( 0.000 -0.458 5.409) 5.428 19.495 ( 0.000 2.178 4.073) 4.618 19.838 ( 0.000 0.030 11.035) 11.035 19.867 ( 0.000 -0.452 9.379) 9.390 20.413 ( 0.000 -3.321 1.734) 3.747 20.501 ( 0.000 -4.545 0.266) 4.552 20.551 ( 0.000 -5.403 0.894) 5.476 20.556 ( 0.000 0.542 -4.796) 4.826 20.637 ( 0.000 -0.639 1.191) 1.351 20.715 ( 0.000 -0.709 -1.183) 1.380 20.857 ( 0.000 -0.157 -10.979) 10.980 20.920 ( 0.000 -0.067 -8.396) 8.397 21.010 ( 0.000 -3.227 10.879) 11.347 21.056 ( 0.000 0.414 11.206) 11.214 21.248 ( 0.000 0.045 0.313) 0.317 21.458 ( 0.000 -10.785 6.620) 12.654 21.822 ( 0.000 -5.186 0.289) 5.194 22.229 ( 0.000 0.360 7.553) 7.561 22.269 ( 0.000 -5.231 -12.217) 13.289 22.325 ( 0.000 0.759 0.003) 0.759 22.446 ( 0.000 -5.303 22.497) 23.113 22.455 ( 0.000 0.465 7.091) 7.106 22.838 ( 0.000 -0.400 3.489) 3.512 22.957 ( 0.000 1.035 -2.898) 3.077 22.983 ( 0.000 -2.034 -6.383) 6.700 23.202 ( 0.000 -0.587 -9.719) 9.737 23.483 ( 0.000 0.009 -6.080) 6.080 23.565 ( 0.000 -16.994 21.076) 27.074 23.603 ( 0.000 -8.026 11.742) 14.223 23.640 ( 0.000 -1.181 -8.045) 8.131 23.745 ( 0.000 -6.863 8.451) 10.887 23.831 ( 0.000 -0.026 6.027) 6.027 23.979 ( 0.000 0.067 -2.130) 2.131 24.228 ( 0.000 -14.107 15.268) 20.788 24.246 ( 0.000 -0.216 1.127) 1.148 24.287 ( 0.000 -1.664 7.857) 8.032 24.324 ( 0.000 -0.159 -3.179) 3.183 24.364 ( 0.000 -5.317 8.659) 10.161 24.878 ( 0.000 0.271 20.220) 20.222 25.048 ( 0.000 -2.590 0.916) 2.747 25.218 ( 0.000 -9.262 2.054) 9.487 25.311 ( 0.000 -0.621 -8.114) 8.138 25.499 ( 0.000 -0.551 -18.031) 18.040 25.633 ( 0.000 -0.221 3.861) 3.867 25.807 ( 0.000 -0.128 -21.376) 21.377 25.886 ( 0.000 -4.984 -6.664) 8.322 26.249 ( 0.000 -0.107 2.273) 2.275 26.283 ( 0.000 0.059 -0.165) 0.175 26.342 ( 0.000 -0.222 21.557) 21.558 27.223 ( 0.000 0.268 -19.946) 19.948 27.442 ( 0.000 -0.406 11.753) 11.760 27.820 ( 0.000 -0.283 -4.758) 4.767 27.948 ( 0.000 -16.919 22.793) 28.387 28.082 ( 0.000 -4.746 8.549) 9.778 28.274 ( 0.000 -1.175 2.440) 2.709 28.442 ( 0.000 -1.952 -4.566) 4.966 28.526 ( 0.000 -14.843 -0.725) 14.861 28.615 ( 0.000 -8.780 -11.108) 14.159 28.784 ( 0.000 -4.802 -1.116) 4.930 28.793 ( 0.000 -2.783 -1.309) 3.075 28.882 ( 0.000 -0.373 9.966) 9.973 29.093 ( 0.000 -2.810 10.344) 10.719 29.559 ( 0.000 -9.245 -5.753) 10.889 29.570 ( 0.000 -0.431 -21.668) 21.672 29.784 ( 0.000 -8.199 7.309) 10.983 30.048 ( 0.000 -7.131 -0.072) 7.132 30.364 ( 0.000 -1.113 14.230) 14.273 30.678 ( 0.000 -3.364 3.986) 5.216 30.707 ( 0.000 -1.475 -3.719) 4.001 30.726 ( 0.000 -3.685 0.826) 3.776 30.778 ( 0.000 -0.868 6.543) 6.600 30.908 ( 0.000 -4.205 5.328) 6.787 30.997 ( 0.000 -3.335 0.553) 3.380 31.088 ( 0.000 2.532 -4.118) 4.834 31.280 ( 0.000 -19.998 3.673) 20.333 31.592 ( 0.000 -9.923 -4.452) 10.876 31.664 ( 0.000 -13.478 0.492) 13.487 31.743 ( 0.000 -16.019 7.625) 17.742 31.804 ( 0.000 -3.218 -9.613) 10.137 32.082 ( 0.000 -7.701 11.973) 14.236 32.198 ( 0.000 -20.009 -9.440) 22.124 32.409 ( 0.000 13.480 14.704) 19.948 32.573 ( 0.000 -15.357 -9.109) 17.855 32.884 ( 0.000 23.841 -6.791) 24.789 32.904 ( 0.000 -6.245 9.055) 11.000 33.171 ( 0.000 0.023 3.552) 3.552 33.350 ( 0.000 9.119 -5.250) 10.522 33.516 ( 0.000 -0.145 -6.362) 6.364 33.779 ( 0.000 6.909 8.764) 11.160 34.151 ( 0.000 11.693 -7.267) 13.767 34.874 ( 0.000 28.103 24.080) 37.008 37.139 ( 0.000 71.000 -102.133) 124.387 ======================= Grid point 61 (23/54) ======================= q-point: ( 0.25 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 21.489 16.579 19.148) 33.216 1.367 ( 22.000 12.116 26.314) 36.377 1.984 ( 18.635 5.453 21.410) 28.903 2.109 ( 1.270 9.458 10.141) 13.925 2.195 ( 12.651 3.987 9.049) 16.057 2.370 ( -8.471 5.270 -7.047) 12.214 2.414 ( 7.272 8.154 -13.991) 17.752 2.707 ( 0.034 -1.431 -5.429) 5.615 2.830 ( 1.942 -0.864 0.984) 2.342 2.866 ( -4.385 2.636 -1.398) 5.304 2.990 ( -7.347 4.222 -2.819) 8.930 3.077 ( 3.880 1.899 3.195) 5.373 3.153 ( 2.593 1.575 0.101) 3.036 3.207 ( 6.799 0.694 5.301) 8.650 3.239 ( 0.014 0.770 0.825) 1.129 3.316 ( -3.644 2.142 2.186) 4.759 3.397 ( -2.431 -1.738 -0.677) 3.064 3.441 ( -3.349 -4.819 -8.063) 9.972 3.457 ( -2.868 2.014 -1.150) 3.689 3.491 ( -3.991 -2.290 -1.220) 4.760 3.570 ( -2.275 -2.830 -4.528) 5.804 3.713 ( -0.745 3.301 1.512) 3.707 3.823 ( 3.070 0.574 -10.846) 11.286 3.881 ( -3.881 2.744 -4.896) 6.824 4.167 ( -3.968 -0.198 -0.911) 4.075 4.248 ( -21.142 0.750 -2.192) 21.268 4.351 ( -0.702 1.106 2.970) 3.246 4.423 ( -2.510 -0.617 1.378) 2.929 4.683 ( 2.393 -4.172 2.241) 5.306 4.774 ( -2.059 -4.822 -1.476) 5.447 4.987 ( -7.950 -4.881 3.365) 9.917 5.015 ( -8.450 -3.406 2.243) 9.382 5.281 ( 10.066 -0.232 0.398) 10.076 5.365 ( 17.266 -0.070 -3.388) 17.596 5.686 ( -5.950 -0.411 4.301) 7.353 5.905 ( -5.862 -1.029 -4.956) 7.745 6.336 ( 10.000 -1.131 3.929) 10.804 6.424 ( 6.250 -1.363 0.451) 6.413 6.514 ( 7.882 -2.250 3.585) 8.947 6.640 ( -2.212 -3.286 12.334) 12.955 6.837 ( 1.538 -3.812 4.367) 5.997 6.934 ( 0.677 -1.195 8.835) 8.942 6.969 ( -0.158 -0.582 6.217) 6.246 7.078 ( -0.159 -6.186 -0.668) 6.224 7.147 ( -3.453 -3.062 -2.431) 5.216 7.234 ( 4.665 -4.143 5.576) 8.368 7.413 ( -1.095 -0.831 -3.309) 3.583 7.463 ( -3.518 2.508 -8.739) 9.749 7.523 ( 8.715 3.871 -3.117) 10.033 7.726 ( 2.076 3.891 -2.640) 5.140 7.810 ( 4.713 8.998 1.058) 10.212 7.892 ( 4.351 1.546 5.876) 7.473 7.940 ( 0.969 2.004 2.440) 3.303 8.039 ( -5.246 4.094 2.483) 7.103 8.252 ( -11.472 -0.978 3.408) 12.008 8.320 ( -3.581 3.024 -9.900) 10.953 8.414 ( -4.339 1.883 1.373) 4.926 8.479 ( 2.983 3.487 -3.611) 5.840 8.502 ( -3.013 4.911 -6.766) 8.887 8.746 ( 8.837 3.094 -2.347) 9.653 8.973 ( -2.321 0.018 -5.493) 5.963 9.115 ( -14.377 -0.639 -19.297) 24.073 9.158 ( -17.647 -0.901 -16.236) 23.996 9.254 ( 15.103 -1.237 -16.362) 22.302 9.583 ( 4.784 -1.151 -4.665) 6.781 9.757 ( -2.764 -0.890 -4.603) 5.443 9.800 ( -9.365 0.436 -0.528) 9.390 9.864 ( -8.467 1.211 7.924) 11.660 9.886 ( 10.441 -1.399 1.887) 10.702 10.188 ( 5.980 -3.401 5.256) 8.658 10.283 ( -7.405 -1.417 8.872) 11.643 10.390 ( -5.999 0.674 -16.243) 17.329 10.457 ( -2.238 -2.458 -1.159) 3.520 10.546 ( 3.081 -0.991 1.457) 3.549 10.620 ( -8.569 -3.213 6.210) 11.060 10.832 ( -7.809 -1.736 -6.125) 10.075 11.001 ( 3.387 -2.231 -7.158) 8.227 11.184 ( 2.211 -1.060 -6.480) 6.929 11.208 ( -0.430 -2.426 1.572) 2.923 11.246 ( -2.897 -3.160 -0.397) 4.306 11.361 ( 3.363 -0.015 8.895) 9.510 11.452 ( 2.614 -4.233 12.310) 13.277 11.580 ( 4.710 -3.313 4.070) 7.052 11.779 ( 4.403 -0.545 8.967) 10.005 11.886 ( -2.605 3.051 -2.834) 4.912 11.991 ( -2.138 -1.641 6.788) 7.303 12.029 ( -0.763 0.649 13.331) 13.368 12.069 ( -2.589 -3.560 -1.320) 4.596 12.155 ( -1.286 3.802 1.519) 4.291 12.170 ( -1.753 3.760 0.471) 4.175 12.187 ( 6.116 2.928 4.175) 7.963 12.259 ( 3.374 1.439 3.719) 5.223 12.341 ( -4.373 0.218 4.483) 6.267 12.452 ( 1.894 -1.267 -1.484) 2.720 12.498 ( 3.048 -1.363 -0.320) 3.354 12.594 ( -10.236 -0.737 2.766) 10.629 12.675 ( 3.848 2.784 -7.784) 9.119 12.828 ( -5.866 3.075 -3.312) 7.405 12.850 ( 5.236 -1.446 -5.647) 7.835 13.022 ( 8.618 -0.638 2.115) 8.896 13.154 ( 2.790 -0.657 -1.991) 3.490 13.230 ( -10.521 1.357 -4.187) 11.405 13.320 ( 2.540 -1.466 -0.030) 2.932 13.385 ( 8.771 1.825 1.844) 9.147 13.428 ( 0.127 -1.309 -2.853) 3.142 13.647 ( 6.176 3.109 3.901) 7.939 13.698 ( -2.077 -1.708 -4.965) 5.646 13.878 ( 5.057 -0.005 -1.002) 5.156 14.066 ( 12.379 -2.789 8.291) 15.158 14.230 ( 7.678 1.057 6.612) 10.188 14.242 ( 1.732 -0.277 8.871) 9.043 14.557 ( -7.647 2.802 1.577) 8.296 14.732 ( 5.109 -2.899 4.033) 7.125 14.843 ( 3.028 -0.292 5.903) 6.640 14.978 ( -2.761 4.102 -7.724) 9.171 15.068 ( 0.477 3.066 -9.443) 9.940 15.248 ( -4.738 1.008 -9.928) 11.047 15.369 ( -7.612 -2.258 -15.037) 17.004 15.473 ( -12.270 1.694 4.574) 13.204 15.718 ( 4.267 1.001 1.473) 4.623 15.795 ( 0.174 1.745 1.587) 2.365 15.824 ( 2.310 2.880 -2.157) 4.276 16.097 ( -17.647 1.930 -4.108) 18.221 16.283 ( -9.373 0.757 -5.736) 11.014 16.600 ( 1.004 0.632 0.299) 1.224 16.664 ( -0.979 0.118 -6.585) 6.659 16.878 ( -3.520 1.359 -9.188) 9.933 17.271 ( -8.422 -2.329 -5.848) 10.515 17.338 ( 2.285 0.640 14.511) 14.703 17.452 ( 11.612 0.591 5.888) 13.033 17.557 ( 8.550 0.931 8.573) 12.144 17.739 ( 3.397 0.150 9.339) 9.938 17.801 ( -7.070 0.126 6.807) 9.815 17.847 ( -4.738 1.346 -3.983) 6.334 18.024 ( -1.326 -1.030 0.444) 1.737 18.065 ( 5.449 0.263 2.627) 6.055 18.115 ( -1.718 -0.626 -5.931) 6.207 18.178 ( 9.025 -1.733 -4.024) 10.032 18.283 ( -0.940 1.460 -1.088) 2.049 18.381 ( 0.634 0.358 -4.514) 4.572 18.479 ( 1.591 -0.181 -7.006) 7.187 18.510 ( 0.810 0.858 -5.033) 5.169 18.697 ( 0.778 -1.226 0.099) 1.455 18.722 ( -1.091 -0.793 2.997) 3.287 18.897 ( 4.463 -0.172 -1.821) 4.823 18.990 ( 2.444 0.615 -9.734) 10.055 19.349 ( 4.592 -0.491 5.225) 6.973 19.412 ( 4.028 -0.212 6.556) 7.698 19.483 ( 11.942 0.446 6.600) 13.652 19.661 ( 12.195 1.011 6.344) 13.783 19.896 ( 5.564 -0.093 5.251) 7.651 19.916 ( 6.809 0.715 5.816) 8.984 20.259 ( -12.283 -4.111 6.071) 14.305 20.321 ( -12.600 -1.242 4.322) 13.378 20.383 ( -10.029 0.664 -0.984) 10.099 20.565 ( 4.358 -1.355 -6.045) 7.575 20.708 ( 8.025 0.025 2.147) 8.307 20.756 ( -13.444 -0.633 -5.222) 14.436 20.811 ( -0.175 -0.627 -3.687) 3.744 20.899 ( -1.531 -2.109 3.176) 4.109 20.953 ( 1.691 -0.960 -7.506) 7.754 21.055 ( -8.505 -1.326 -2.234) 8.893 21.211 ( -2.937 -3.141 6.150) 7.505 21.260 ( -8.043 -0.903 5.215) 9.628 21.927 ( -11.725 -0.840 2.165) 11.952 21.987 ( 2.637 -0.597 0.360) 2.728 22.234 ( 0.336 -4.508 14.194) 14.897 22.295 ( -1.693 -1.054 9.901) 10.100 22.607 ( 9.870 -1.692 -3.791) 10.708 22.638 ( 11.169 0.504 2.239) 11.403 22.840 ( -4.679 0.116 -1.803) 5.016 22.874 ( 0.825 -0.292 0.761) 1.160 23.073 ( -12.521 -2.864 13.170) 18.396 23.116 ( 1.843 -1.487 -5.674) 6.148 23.140 ( 1.816 -0.413 -0.292) 1.885 23.527 ( -2.990 -0.778 -2.990) 4.299 23.542 ( -4.060 0.878 -1.480) 4.410 23.565 ( -6.457 -1.539 0.268) 6.643 23.711 ( -3.371 -0.357 3.434) 4.826 23.833 ( -11.815 -1.376 1.378) 11.974 23.868 ( -1.876 -2.355 -0.851) 3.129 24.025 ( -9.466 -0.493 -9.785) 13.623 24.157 ( 7.818 0.495 7.534) 10.869 24.354 ( 0.063 1.256 2.831) 3.098 24.560 ( 9.942 0.753 4.402) 10.899 24.886 ( 7.661 -1.225 -0.009) 7.759 25.038 ( -15.172 0.353 -10.119) 18.241 25.278 ( 3.944 -9.015 -18.183) 20.674 25.368 ( 21.329 -1.784 11.776) 24.429 25.460 ( 18.194 -3.675 5.487) 19.356 25.580 ( -1.516 0.049 1.444) 2.095 25.774 ( 27.746 -21.226 -2.716) 35.039 26.003 ( 12.762 -3.801 -9.892) 16.588 26.137 ( 19.994 -19.013 -0.248) 27.592 26.271 ( 6.303 -4.925 8.553) 11.710 26.299 ( 2.021 -0.518 2.220) 3.047 26.449 ( 22.874 -3.338 -14.455) 27.264 27.154 ( -8.451 -0.126 -19.623) 21.365 27.383 ( -15.658 -8.509 13.502) 22.358 27.656 ( 3.212 -16.543 16.152) 23.342 27.855 ( 1.084 -0.827 -4.704) 4.898 28.125 ( -20.858 -8.922 -1.018) 22.709 28.172 ( -10.856 -3.313 2.178) 11.558 28.323 ( -7.100 -2.434 -5.392) 9.242 28.496 ( 13.465 -10.105 8.582) 18.896 28.654 ( -4.191 -3.594 7.793) 9.551 28.675 ( -0.204 -16.317 3.134) 16.616 28.829 ( 7.338 -2.773 -6.221) 10.012 29.053 ( 9.570 -1.182 -1.281) 9.728 29.182 ( 2.623 -6.014 -1.615) 6.757 29.503 ( -6.590 -5.471 -3.715) 9.336 29.619 ( 0.391 -6.983 -5.523) 8.912 29.894 ( 8.262 -3.133 -2.098) 9.081 29.958 ( -3.427 -7.504 3.691) 9.038 30.403 ( 3.311 -2.104 13.777) 14.325 30.574 ( -5.745 -0.706 1.074) 5.887 30.652 ( -5.341 -2.417 -0.055) 5.862 30.685 ( -4.447 -1.040 -0.679) 4.617 30.815 ( 1.075 -4.910 0.699) 5.075 30.898 ( 1.552 -4.431 -0.930) 4.786 31.050 ( 6.186 -3.523 5.200) 8.816 31.239 ( 9.953 -0.366 3.825) 10.669 31.275 ( -1.439 -17.793 4.672) 18.453 31.601 ( -1.819 -12.758 8.057) 15.199 31.658 ( 2.083 -14.833 -2.409) 15.171 31.748 ( -0.762 -20.275 0.481) 20.295 31.831 ( 2.634 2.141 -9.526) 10.112 32.094 ( 1.749 -7.022 8.904) 11.473 32.139 ( -4.292 -13.368 -7.875) 16.098 32.337 ( -6.090 -1.912 6.561) 9.154 32.594 ( 0.286 -10.212 -6.027) 11.862 32.741 ( -7.084 6.209 -4.471) 10.427 32.969 ( 4.586 -0.155 9.526) 10.573 33.179 ( -0.017 0.480 6.267) 6.285 33.494 ( 5.242 4.826 -7.219) 10.143 33.560 ( 6.177 9.926 -11.533) 16.422 33.830 ( 4.822 11.647 11.085) 16.786 34.226 ( 7.760 23.542 -0.202) 24.788 34.831 ( -0.262 27.247 13.415) 30.371 36.307 ( -63.619 77.654 -54.663) 114.305 ======================= Grid point 62 (24/54) ======================= q-point: (-0.50 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -0.000 3.237 22.450) 22.682 1.734 ( -0.000 3.861 7.679) 8.595 1.806 ( 0.000 8.693 19.664) 21.500 1.943 ( 0.000 11.992 17.607) 21.304 2.387 ( 0.000 2.322 -12.930) 13.137 2.569 ( 0.000 6.020 -14.735) 15.918 2.651 ( -0.000 2.260 -11.771) 11.986 2.661 ( 0.000 7.542 -6.116) 9.710 2.795 ( -0.000 -0.139 -6.267) 6.268 2.858 ( 0.000 0.348 1.740) 1.775 3.025 ( -0.000 1.734 6.050) 6.294 3.074 ( 0.000 5.435 4.869) 7.298 3.214 ( -0.000 2.054 6.100) 6.437 3.216 ( 0.000 0.228 5.388) 5.392 3.272 ( 0.000 1.673 1.244) 2.085 3.290 ( 0.000 0.363 1.160) 1.216 3.330 ( 0.000 3.240 2.690) 4.211 3.348 ( -0.000 1.786 0.582) 1.878 3.394 ( -0.000 -0.625 -0.826) 1.035 3.419 ( 0.000 1.007 0.215) 1.030 3.610 ( -0.000 0.267 3.288) 3.299 3.613 ( 0.000 -7.369 -7.716) 10.669 3.727 ( 0.000 5.823 7.084) 9.171 3.870 ( 0.000 3.161 -6.375) 7.115 4.075 ( 0.000 -2.403 -8.319) 8.659 4.125 ( 0.000 0.592 -11.766) 11.781 4.351 ( 0.000 -1.084 2.166) 2.423 4.403 ( 0.000 0.522 2.097) 2.161 4.744 ( 0.000 -5.803 2.633) 6.372 4.778 ( 0.000 -4.344 2.857) 5.199 4.872 ( 0.000 -3.402 0.362) 3.421 4.888 ( 0.000 -2.390 0.281) 2.407 5.402 ( 0.000 -2.875 -0.371) 2.899 5.495 ( 0.000 0.788 -0.225) 0.819 5.724 ( 0.000 -1.799 -0.205) 1.811 5.766 ( -0.000 0.196 -0.379) 0.427 6.469 ( 0.000 -2.357 7.752) 8.103 6.546 ( -0.000 -2.264 3.895) 4.506 6.581 ( 0.000 -5.674 0.975) 5.757 6.598 ( -0.000 -1.387 6.745) 6.886 6.817 ( 0.000 0.103 9.154) 9.155 6.847 ( 0.000 1.933 8.137) 8.364 7.014 ( 0.000 -3.149 -13.619) 13.978 7.031 ( 0.000 -1.331 -7.836) 7.948 7.118 ( 0.000 1.428 6.203) 6.365 7.287 ( 0.000 2.081 1.011) 2.314 7.479 ( -0.000 -1.599 0.024) 1.599 7.481 ( 0.000 1.647 -0.598) 1.752 7.691 ( 0.000 2.977 5.471) 6.228 7.766 ( -0.000 0.782 0.615) 0.995 7.858 ( 0.000 -1.636 6.298) 6.507 7.874 ( 0.000 6.482 0.311) 6.489 7.999 ( 0.000 1.387 1.009) 1.715 8.001 ( -0.000 7.267 -5.460) 9.089 8.151 ( 0.000 2.625 -0.449) 2.664 8.162 ( -0.000 0.617 2.203) 2.288 8.425 ( 0.000 -1.357 -7.309) 7.434 8.503 ( 0.000 2.341 -5.353) 5.842 8.607 ( -0.000 -1.590 -8.830) 8.972 8.622 ( 0.000 1.190 -16.406) 16.449 8.840 ( 0.000 -0.138 -0.603) 0.618 8.873 ( -0.000 -0.128 5.181) 5.182 9.250 ( -0.000 -3.009 -11.548) 11.934 9.356 ( 0.000 1.039 -7.002) 7.079 9.565 ( 0.000 -2.272 6.878) 7.244 9.609 ( 0.000 -1.844 -4.089) 4.485 9.822 ( 0.000 2.298 0.289) 2.316 9.857 ( 0.000 2.931 -11.966) 12.320 10.041 ( 0.000 -6.009 -7.516) 9.623 10.144 ( -0.000 -3.167 -0.396) 3.192 10.166 ( -0.000 -2.015 -1.627) 2.590 10.238 ( 0.000 -1.802 -2.356) 2.966 10.569 ( -0.000 -1.902 5.494) 5.814 10.591 ( 0.000 -0.947 7.672) 7.730 10.630 ( 0.000 -2.566 0.317) 2.585 10.662 ( -0.000 -0.668 0.220) 0.704 11.101 ( 0.000 -4.878 -4.780) 6.829 11.130 ( -0.000 -4.013 -7.882) 8.844 11.202 ( 0.000 -3.309 -0.710) 3.384 11.238 ( 0.000 -0.400 -1.000) 1.077 11.409 ( 0.000 0.264 2.330) 2.345 11.422 ( -0.000 0.852 9.811) 9.848 11.639 ( 0.000 -3.772 -6.906) 7.869 11.731 ( -0.000 -1.144 -5.569) 5.685 11.921 ( 0.000 1.572 5.311) 5.539 11.947 ( 0.000 -3.155 2.406) 3.968 12.020 ( -0.000 3.087 10.073) 10.535 12.042 ( 0.000 1.061 -0.671) 1.255 12.074 ( 0.000 -3.082 19.669) 19.909 12.264 ( -0.000 0.530 4.030) 4.065 12.285 ( 0.000 1.592 -0.490) 1.666 12.296 ( 0.000 4.103 8.650) 9.574 12.363 ( -0.000 2.444 5.163) 5.712 12.373 ( 0.000 1.374 7.221) 7.351 12.519 ( -0.000 2.036 -0.577) 2.117 12.606 ( 0.000 4.032 3.097) 5.084 12.670 ( 0.000 -1.923 -9.540) 9.732 12.737 ( 0.000 0.240 -8.706) 8.709 12.970 ( 0.000 0.354 -8.211) 8.219 13.004 ( 0.000 1.298 -5.293) 5.450 13.128 ( 0.000 -6.582 3.264) 7.347 13.294 ( 0.000 -0.767 -1.335) 1.540 13.299 ( -0.000 -1.155 2.894) 3.116 13.359 ( 0.000 0.351 0.618) 0.711 13.521 ( 0.000 4.281 4.212) 6.005 13.578 ( 0.000 4.576 2.122) 5.044 13.809 ( -0.000 -2.383 0.624) 2.464 13.920 ( 0.000 0.090 -2.180) 2.182 14.186 ( 0.000 -4.675 8.374) 9.590 14.245 ( 0.000 -4.665 9.592) 10.667 14.401 ( 0.000 5.690 2.341) 6.153 14.433 ( -0.000 5.580 4.010) 6.871 14.764 ( 0.000 0.781 1.899) 2.053 14.890 ( 0.000 4.527 1.678) 4.828 15.016 ( 0.000 -2.153 -5.910) 6.289 15.125 ( -0.000 -0.367 -8.316) 8.325 15.176 ( 0.000 -0.786 -11.939) 11.965 15.213 ( 0.000 2.286 -9.785) 10.048 15.476 ( 0.000 -2.301 1.143) 2.570 15.585 ( -0.000 2.218 3.422) 4.078 15.830 ( 0.000 1.712 2.052) 2.672 15.865 ( -0.000 2.551 2.092) 3.298 15.942 ( 0.000 -0.584 2.971) 3.028 16.024 ( -0.000 2.147 4.532) 5.015 16.664 ( 0.000 0.238 -18.247) 18.249 16.678 ( -0.000 0.783 -17.792) 17.810 16.991 ( -0.000 0.275 -10.486) 10.490 16.991 ( 0.000 0.259 -13.630) 13.633 17.469 ( -0.000 -2.489 15.235) 15.437 17.584 ( 0.000 2.100 11.663) 11.850 17.613 ( 0.000 -0.132 7.158) 7.159 17.631 ( 0.000 1.095 8.770) 8.838 17.801 ( 0.000 0.151 4.871) 4.874 17.818 ( 0.000 1.018 5.472) 5.566 17.976 ( 0.000 -1.944 -6.525) 6.809 18.049 ( 0.000 1.344 -4.024) 4.242 18.233 ( 0.000 1.868 0.270) 1.887 18.236 ( -0.000 1.102 1.083) 1.545 18.316 ( -0.000 -1.162 -6.553) 6.655 18.334 ( 0.000 0.215 -2.487) 2.496 18.501 ( -0.000 -0.309 -4.359) 4.370 18.518 ( 0.000 0.460 -3.318) 3.349 18.698 ( 0.000 -2.330 5.910) 6.352 18.708 ( 0.000 -1.107 2.007) 2.292 18.960 ( 0.000 -0.654 -5.604) 5.642 19.014 ( 0.000 1.732 -6.043) 6.287 19.430 ( -0.000 -1.146 12.980) 13.030 19.431 ( 0.000 -0.728 12.172) 12.194 19.712 ( 0.000 0.490 5.533) 5.555 19.713 ( -0.000 0.439 5.437) 5.455 20.032 ( -0.000 0.382 -3.311) 3.333 20.072 ( 0.000 2.105 -2.868) 3.558 20.105 ( 0.000 -2.140 10.370) 10.588 20.151 ( -0.000 -0.076 12.267) 12.267 20.380 ( 0.000 -0.594 -9.062) 9.081 20.398 ( -0.000 0.262 -9.636) 9.640 20.680 ( -0.000 -2.933 -4.812) 5.635 20.725 ( 0.000 -1.369 -6.541) 6.683 20.889 ( 0.000 -1.119 1.965) 2.261 20.901 ( -0.000 -0.849 2.928) 3.048 20.939 ( 0.000 -1.022 0.371) 1.087 20.990 ( 0.000 1.410 0.907) 1.677 21.119 ( -0.000 -1.328 -4.730) 4.913 21.127 ( 0.000 -1.303 -4.525) 4.709 21.842 ( 0.000 -2.194 15.799) 15.950 21.894 ( -0.000 -0.036 15.280) 15.280 22.333 ( 0.000 -1.184 0.090) 1.188 22.367 ( 0.000 0.342 0.180) 0.386 22.659 ( -0.000 -1.847 -3.086) 3.597 22.667 ( 0.000 -1.469 -2.986) 3.328 22.904 ( -0.000 -0.708 5.987) 6.029 22.917 ( 0.000 -0.509 4.241) 4.272 22.962 ( -0.000 0.286 1.547) 1.573 22.978 ( 0.000 0.531 -2.168) 2.232 23.365 ( -0.000 -2.064 -2.567) 3.294 23.385 ( 0.000 -1.562 0.667) 1.699 23.487 ( 0.000 -0.370 -0.902) 0.975 23.493 ( 0.000 0.094 -2.558) 2.559 23.668 ( -0.000 -1.102 3.684) 3.845 23.682 ( 0.000 -0.634 3.791) 3.843 23.888 ( -0.000 -1.252 -6.917) 7.029 23.905 ( 0.000 -0.586 -7.881) 7.903 24.279 ( 0.000 0.635 7.499) 7.526 24.305 ( 0.000 1.820 6.751) 6.992 24.765 ( -0.000 0.668 -4.843) 4.889 24.765 ( 0.000 0.861 -4.518) 4.599 25.108 ( 0.000 -2.223 -10.775) 11.002 25.136 ( -0.000 -0.916 -11.752) 11.788 25.551 ( 0.000 -1.095 1.955) 2.241 25.572 ( -0.000 -0.199 0.918) 0.940 25.852 ( -0.000 -2.416 15.626) 15.811 25.873 ( 0.000 -0.366 13.183) 13.188 26.064 ( 0.000 -5.722 1.044) 5.817 26.142 ( 0.000 -1.715 7.266) 7.466 26.462 ( 0.000 -7.294 -2.668) 7.767 26.490 ( -0.000 -4.982 1.022) 5.085 26.869 ( -0.000 -3.157 -23.048) 23.264 26.911 ( 0.000 -0.308 -21.746) 21.749 27.373 ( -0.000 -21.694 -1.060) 21.720 27.548 ( 0.000 -15.609 -8.620) 17.831 27.829 ( 0.000 -19.118 1.324) 19.164 28.010 ( 0.000 -0.999 -2.849) 3.019 28.073 ( -0.000 -2.050 2.682) 3.376 28.205 ( 0.000 -10.754 -4.330) 11.593 28.590 ( -0.000 -10.650 8.370) 13.546 28.604 ( 0.000 -18.527 9.233) 20.701 28.769 ( -0.000 -7.400 8.541) 11.300 28.881 ( 0.000 -12.207 4.473) 13.001 29.194 ( 0.000 -2.387 -12.108) 12.341 29.213 ( -0.000 -1.664 -11.636) 11.754 29.455 ( 0.000 -5.624 -0.113) 5.625 29.466 ( -0.000 -5.291 0.391) 5.306 29.965 ( 0.000 -5.019 2.372) 5.552 30.007 ( 0.000 -4.734 3.481) 5.876 30.477 ( 0.000 -1.162 6.261) 6.368 30.483 ( -0.000 -1.597 7.399) 7.570 30.584 ( 0.000 -1.263 -2.056) 2.413 30.622 ( 0.000 0.001 -1.244) 1.244 30.837 ( 0.000 -5.696 -2.902) 6.392 30.906 ( 0.000 -6.152 -3.990) 7.333 31.182 ( -0.000 -8.877 7.233) 11.450 31.198 ( 0.000 -10.412 10.028) 14.456 31.379 ( 0.000 -3.729 6.297) 7.319 31.550 ( 0.000 -8.083 12.814) 15.151 31.707 ( -0.000 -17.988 -1.761) 18.074 31.716 ( 0.000 -24.803 -1.000) 24.823 31.867 ( 0.000 4.540 -10.862) 11.772 32.077 ( 0.000 -11.107 -7.321) 13.303 32.176 ( 0.000 -2.445 5.427) 5.953 32.216 ( -0.000 -12.424 2.153) 12.609 32.581 ( 0.000 -8.833 -4.050) 9.717 32.685 ( 0.000 -4.236 -5.124) 6.648 33.027 ( 0.000 2.315 8.262) 8.580 33.173 ( 0.000 0.348 8.634) 8.641 33.529 ( 0.000 1.555 -6.061) 6.257 33.635 ( 0.000 9.908 -15.977) 18.800 33.904 ( 0.000 19.068 14.884) 24.189 34.316 ( 0.000 29.917 12.671) 32.490 35.078 ( 0.000 50.223 -18.681) 53.584 35.341 ( -0.000 54.317 -13.161) 55.889 ======================= Grid point 65 (25/54) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 22.259 22.134) 31.391 1.612 ( 0.000 24.736 19.981) 31.798 1.947 ( 0.000 24.808 30.448) 39.275 2.270 ( 0.000 7.944 -3.724) 8.774 2.310 ( 0.000 9.083 -4.706) 10.230 2.521 ( 0.000 8.380 -1.477) 8.509 2.597 ( 0.000 4.881 -5.059) 7.029 2.720 ( 0.000 3.108 -8.599) 9.143 2.783 ( 0.000 2.481 -2.192) 3.310 2.926 ( 0.000 1.655 1.238) 2.067 3.053 ( 0.000 4.684 -1.885) 5.049 3.131 ( 0.000 2.436 7.065) 7.473 3.164 ( 0.000 1.651 0.374) 1.693 3.214 ( 0.000 3.176 4.180) 5.250 3.301 ( 0.000 0.522 -4.183) 4.215 3.317 ( 0.000 -3.175 -8.538) 9.109 3.348 ( 0.000 -5.180 -1.059) 5.287 3.415 ( 0.000 0.751 0.068) 0.754 3.500 ( 0.000 -0.712 0.113) 0.721 3.514 ( 0.000 3.790 -2.749) 4.681 3.535 ( 0.000 -1.589 -2.169) 2.689 3.744 ( 0.000 -1.393 6.681) 6.825 3.789 ( 0.000 3.187 -12.597) 12.994 3.962 ( 0.000 1.296 -3.287) 3.533 4.157 ( 0.000 -3.537 7.088) 7.921 4.404 ( 0.000 2.221 2.010) 2.995 4.433 ( 0.000 -2.544 0.489) 2.591 4.455 ( 0.000 -4.678 -5.508) 7.226 4.670 ( 0.000 -7.444 5.067) 9.005 4.755 ( 0.000 -7.754 0.498) 7.770 4.948 ( 0.000 1.038 4.029) 4.161 4.978 ( 0.000 -6.998 2.067) 7.297 5.113 ( 0.000 -1.633 -2.694) 3.150 5.153 ( 0.000 1.253 -4.183) 4.367 5.760 ( 0.000 -0.825 1.375) 1.603 5.934 ( 0.000 -2.415 -5.242) 5.772 6.133 ( 0.000 -2.056 5.476) 5.849 6.370 ( 0.000 -3.258 15.126) 15.473 6.388 ( 0.000 2.081 -5.160) 5.564 6.602 ( 0.000 -9.695 3.868) 10.438 6.670 ( 0.000 -1.998 15.071) 15.203 6.753 ( 0.000 -10.358 -2.034) 10.555 6.798 ( 0.000 -1.377 6.246) 6.396 6.988 ( 0.000 -3.783 12.276) 12.845 7.163 ( 0.000 -2.070 3.529) 4.091 7.210 ( 0.000 -6.228 -2.227) 6.615 7.357 ( 0.000 -3.039 -18.090) 18.344 7.476 ( 0.000 1.407 4.669) 4.876 7.696 ( 0.000 0.559 1.466) 1.569 7.715 ( 0.000 0.957 -1.441) 1.730 7.801 ( 0.000 9.081 3.597) 9.767 7.977 ( 0.000 0.202 6.073) 6.076 8.107 ( 0.000 7.410 -4.164) 8.500 8.146 ( 0.000 0.872 -10.698) 10.733 8.229 ( 0.000 7.739 -4.341) 8.873 8.343 ( 0.000 -2.931 8.242) 8.747 8.524 ( 0.000 2.744 1.543) 3.148 8.575 ( 0.000 -0.142 -9.959) 9.960 8.617 ( 0.000 3.289 4.892) 5.895 8.813 ( 0.000 -1.432 -13.493) 13.569 8.867 ( 0.000 -1.608 -18.462) 18.532 9.085 ( 0.000 -1.623 -9.267) 9.408 9.291 ( 0.000 -0.391 -4.372) 4.389 9.409 ( 0.000 -2.671 -8.434) 8.847 9.574 ( 0.000 0.295 -24.606) 24.608 9.612 ( 0.000 -1.086 -15.763) 15.801 9.754 ( 0.000 -0.920 1.343) 1.627 9.827 ( 0.000 -1.024 0.303) 1.068 9.950 ( 0.000 -2.064 9.307) 9.533 10.272 ( 0.000 -0.729 3.885) 3.952 10.345 ( 0.000 -2.663 10.111) 10.456 10.358 ( 0.000 -5.604 -19.414) 20.207 10.421 ( 0.000 -0.166 16.004) 16.005 10.504 ( 0.000 0.253 -7.381) 7.385 10.784 ( 0.000 -8.887 -3.775) 9.656 10.918 ( 0.000 -5.153 -3.266) 6.101 10.924 ( 0.000 -0.191 -2.889) 2.895 11.098 ( 0.000 -2.255 -3.834) 4.448 11.130 ( 0.000 -5.869 6.129) 8.486 11.189 ( 0.000 -0.857 -0.060) 0.859 11.217 ( 0.000 -4.642 -1.705) 4.946 11.256 ( 0.000 -7.775 10.306) 12.910 11.392 ( 0.000 -1.692 11.923) 12.043 11.770 ( 0.000 2.373 20.762) 20.897 11.948 ( 0.000 -1.370 14.087) 14.153 12.036 ( 0.000 1.097 8.910) 8.977 12.062 ( 0.000 1.277 -7.714) 7.819 12.091 ( 0.000 -1.571 4.207) 4.491 12.092 ( 0.000 -1.243 5.215) 5.361 12.172 ( 0.000 -5.114 -1.087) 5.229 12.180 ( 0.000 -0.112 -0.082) 0.139 12.206 ( 0.000 2.516 2.444) 3.507 12.345 ( 0.000 -2.738 -1.289) 3.026 12.456 ( 0.000 -0.435 -4.267) 4.289 12.593 ( 0.000 6.330 -6.146) 8.823 12.638 ( 0.000 -0.335 -6.275) 6.284 12.705 ( 0.000 3.370 13.879) 14.282 12.788 ( 0.000 -1.377 -4.497) 4.704 12.895 ( 0.000 0.595 2.223) 2.301 12.961 ( 0.000 -1.464 -5.682) 5.867 13.189 ( 0.000 -0.586 -3.151) 3.204 13.218 ( 0.000 -2.182 -4.699) 5.181 13.237 ( 0.000 -2.605 1.345) 2.932 13.321 ( 0.000 0.390 -4.780) 4.796 13.437 ( 0.000 2.238 -7.104) 7.448 13.567 ( 0.000 5.082 6.906) 8.574 13.667 ( 0.000 -5.448 -13.519) 14.576 13.828 ( 0.000 2.728 1.707) 3.218 13.909 ( 0.000 -3.446 8.134) 8.833 14.108 ( 0.000 0.339 7.983) 7.990 14.306 ( 0.000 1.559 12.670) 12.765 14.501 ( 0.000 -3.639 0.025) 3.639 14.715 ( 0.000 0.810 15.777) 15.798 14.802 ( 0.000 1.479 1.646) 2.213 15.078 ( 0.000 1.037 -20.178) 20.205 15.230 ( 0.000 7.397 -8.158) 11.013 15.310 ( 0.000 -1.491 -11.495) 11.591 15.390 ( 0.000 -2.443 -14.255) 14.463 15.689 ( 0.000 -0.101 -0.008) 0.102 15.747 ( 0.000 5.348 9.763) 11.132 15.814 ( 0.000 3.420 8.379) 9.050 15.946 ( 0.000 -0.334 -0.029) 0.335 16.124 ( 0.000 0.941 -17.561) 17.586 16.372 ( 0.000 4.344 -17.890) 18.410 16.630 ( 0.000 0.027 18.251) 18.251 16.996 ( 0.000 1.214 -4.607) 4.764 17.026 ( 0.000 -0.047 -7.439) 7.439 17.104 ( 0.000 0.162 15.590) 15.591 17.283 ( 0.000 -1.180 -1.924) 2.257 17.326 ( 0.000 0.183 20.245) 20.246 17.451 ( 0.000 2.524 0.040) 2.524 17.760 ( 0.000 1.190 20.711) 20.745 17.849 ( 0.000 -0.328 -9.288) 9.294 17.894 ( 0.000 0.354 1.486) 1.527 17.931 ( 0.000 -0.691 1.479) 1.632 18.003 ( 0.000 -0.634 0.509) 0.813 18.101 ( 0.000 0.189 -7.380) 7.383 18.166 ( 0.000 -0.742 -1.379) 1.566 18.324 ( 0.000 0.409 -1.840) 1.885 18.398 ( 0.000 3.831 -1.490) 4.111 18.448 ( 0.000 0.033 -10.850) 10.850 18.522 ( 0.000 0.620 -6.156) 6.188 18.671 ( 0.000 -0.243 0.174) 0.299 18.724 ( 0.000 -0.364 3.432) 3.451 18.867 ( 0.000 1.063 -2.897) 3.085 18.953 ( 0.000 -0.170 -10.145) 10.146 19.282 ( 0.000 -0.219 4.280) 4.286 19.366 ( 0.000 -0.370 7.225) 7.234 19.367 ( 0.000 1.255 4.806) 4.967 19.545 ( 0.000 2.705 2.392) 3.611 19.837 ( 0.000 -0.291 12.656) 12.659 19.856 ( 0.000 -0.474 10.993) 11.004 20.243 ( 0.000 -8.304 17.134) 19.040 20.474 ( 0.000 0.652 -3.876) 3.931 20.498 ( 0.000 -1.973 -5.228) 5.588 20.571 ( 0.000 0.969 -5.427) 5.513 20.616 ( 0.000 -1.533 -1.325) 2.026 20.698 ( 0.000 -0.987 -0.689) 1.203 20.853 ( 0.000 -0.210 -11.219) 11.221 20.912 ( 0.000 -1.768 -2.156) 2.788 20.930 ( 0.000 -3.195 5.982) 6.781 21.067 ( 0.000 0.704 10.869) 10.892 21.248 ( 0.000 -0.113 0.817) 0.825 21.311 ( 0.000 -3.410 7.140) 7.912 21.749 ( 0.000 -2.701 -8.179) 8.613 22.136 ( 0.000 -7.391 -12.271) 14.325 22.238 ( 0.000 0.437 7.967) 7.979 22.347 ( 0.000 1.448 0.087) 1.451 22.386 ( 0.000 -0.818 18.863) 18.880 22.471 ( 0.000 1.257 5.725) 5.861 22.831 ( 0.000 -0.218 3.821) 3.828 22.931 ( 0.000 -2.977 -5.659) 6.394 22.986 ( 0.000 1.757 -3.642) 4.044 23.179 ( 0.000 -7.415 14.138) 15.964 23.199 ( 0.000 -2.622 6.679) 7.175 23.484 ( 0.000 0.163 -6.364) 6.366 23.612 ( 0.000 1.541 2.330) 2.794 23.614 ( 0.000 -1.226 -7.603) 7.701 23.758 ( 0.000 2.696 -3.404) 4.342 23.832 ( 0.000 0.171 6.069) 6.071 23.982 ( 0.000 0.247 -2.157) 2.171 24.124 ( 0.000 -0.808 9.175) 9.210 24.241 ( 0.000 -0.272 1.095) 1.129 24.267 ( 0.000 -1.700 -3.609) 3.989 24.320 ( 0.000 -0.197 -3.182) 3.189 24.365 ( 0.000 1.019 2.498) 2.697 24.885 ( 0.000 0.513 19.934) 19.941 24.965 ( 0.000 -6.313 -0.544) 6.336 25.042 ( 0.000 -5.959 2.933) 6.642 25.318 ( 0.000 0.943 -11.927) 11.964 25.501 ( 0.000 0.445 -18.251) 18.257 25.635 ( 0.000 0.254 2.859) 2.871 25.797 ( 0.000 -3.454 -6.061) 6.976 25.803 ( 0.000 -0.235 -21.034) 21.035 26.246 ( 0.000 -0.184 2.575) 2.582 26.284 ( 0.000 0.091 -0.200) 0.220 26.335 ( 0.000 -0.502 21.253) 21.259 27.203 ( 0.000 -1.980 -19.864) 19.963 27.428 ( 0.000 -0.998 11.029) 11.074 27.755 ( 0.000 -5.743 15.618) 16.640 27.806 ( 0.000 -1.449 -5.244) 5.440 27.962 ( 0.000 -6.624 5.847) 8.836 28.193 ( 0.000 -9.747 -1.539) 9.867 28.206 ( 0.000 -15.268 3.819) 15.739 28.348 ( 0.000 -5.043 -2.535) 5.645 28.479 ( 0.000 -3.104 -4.478) 5.449 28.648 ( 0.000 -8.776 -2.507) 9.127 28.708 ( 0.000 -5.475 -1.005) 5.567 28.872 ( 0.000 -0.599 10.126) 10.143 29.044 ( 0.000 -2.182 6.990) 7.323 29.471 ( 0.000 -2.466 -11.036) 11.308 29.558 ( 0.000 -0.689 -21.178) 21.190 29.599 ( 0.000 -9.110 7.325) 11.690 29.885 ( 0.000 -8.764 -2.020) 8.994 30.334 ( 0.000 -1.767 14.011) 14.122 30.646 ( 0.000 -3.114 0.304) 3.128 30.648 ( 0.000 -1.646 0.055) 1.647 30.652 ( 0.000 -4.745 -2.962) 5.593 30.759 ( 0.000 -1.016 9.256) 9.311 30.760 ( 0.000 -14.658 0.830) 14.682 30.822 ( 0.000 -6.701 0.113) 6.702 31.031 ( 0.000 -4.929 8.448) 9.781 31.130 ( 0.000 1.675 -4.187) 4.510 31.409 ( 0.000 -8.339 1.492) 8.471 31.416 ( 0.000 -9.969 -3.087) 10.436 31.549 ( 0.000 -6.710 -1.477) 6.870 31.799 ( 0.000 0.040 -14.762) 14.762 31.828 ( 0.000 -14.170 -9.462) 17.038 31.974 ( 0.000 -5.654 6.980) 8.983 32.305 ( 0.000 -11.540 -7.693) 13.869 32.611 ( 0.000 6.578 18.450) 19.588 32.778 ( 0.000 -6.143 12.754) 14.156 33.172 ( 0.000 -0.358 0.178) 0.400 33.242 ( 0.000 11.402 -9.697) 14.968 33.431 ( 0.000 1.135 -7.744) 7.827 33.556 ( 0.000 1.570 -10.634) 10.749 33.899 ( 0.000 4.789 12.160) 13.069 34.342 ( 0.000 6.178 -5.834) 8.497 35.315 ( 0.000 13.646 36.480) 38.949 37.560 ( 0.000 -10.091 -59.084) 59.939 ======================= Grid point 66 (26/54) ======================= q-point: ( 0.25 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 14.716 16.946 16.192) 27.675 1.702 ( 7.851 22.016 13.801) 27.144 2.135 ( 3.528 9.037 11.734) 15.225 2.259 ( -5.081 5.846 8.552) 11.538 2.381 ( 16.693 13.251 2.274) 21.434 2.516 ( -0.872 7.785 -4.620) 9.095 2.626 ( 9.843 12.788 -6.719) 17.480 2.712 ( -0.355 2.543 -8.329) 8.716 2.848 ( 5.385 4.299 -3.441) 7.702 2.911 ( -2.538 1.132 3.036) 4.116 3.068 ( -8.112 3.358 -2.501) 9.129 3.134 ( 7.021 2.051 0.776) 7.356 3.197 ( 0.195 2.763 -1.530) 3.164 3.224 ( 1.723 -0.396 1.235) 2.157 3.241 ( 5.024 1.086 0.505) 5.165 3.322 ( -3.751 -1.616 0.386) 4.103 3.379 ( -1.346 -0.146 0.121) 1.359 3.382 ( 1.036 0.590 -1.073) 1.604 3.458 ( -3.676 -0.269 0.880) 3.789 3.506 ( -2.753 1.736 -0.697) 3.329 3.528 ( -0.787 -0.151 -2.258) 2.396 3.759 ( 0.309 1.621 6.298) 6.510 3.838 ( 5.038 0.856 -11.972) 13.017 3.954 ( -1.898 3.606 -0.968) 4.188 4.162 ( -0.487 -1.036 2.600) 2.841 4.238 ( -19.692 -0.323 2.352) 19.835 4.391 ( -1.714 -2.496 0.763) 3.122 4.406 ( -6.665 3.173 -1.261) 7.489 4.568 ( -0.148 -6.928 0.653) 6.961 4.647 ( -0.782 -7.507 0.677) 7.578 4.869 ( -6.294 -6.278 2.861) 9.339 4.917 ( -7.012 -6.093 1.800) 9.463 5.278 ( 7.301 -0.464 -2.111) 7.615 5.355 ( 15.256 -1.095 -4.567) 15.963 5.668 ( -6.300 -1.380 3.771) 7.471 5.868 ( -5.861 -2.743 -4.497) 7.881 6.311 ( 9.990 -1.405 5.117) 11.312 6.373 ( -0.164 -4.002 0.986) 4.125 6.433 ( 6.206 -5.512 3.740) 9.104 6.583 ( 2.829 -2.367 9.092) 9.811 6.750 ( 6.937 -4.254 4.695) 9.395 6.891 ( 7.703 -6.357 4.091) 10.793 6.908 ( -1.096 -2.526 12.480) 12.780 6.998 ( 0.929 -2.007 4.031) 4.598 7.077 ( 1.077 -3.861 -1.547) 4.296 7.181 ( 1.869 -2.148 2.362) 3.699 7.378 ( 1.136 -2.208 -2.944) 3.852 7.454 ( -0.692 -0.780 -8.329) 8.394 7.603 ( 1.421 0.860 -2.730) 3.196 7.792 ( -3.434 4.017 2.148) 5.704 7.876 ( 7.251 0.409 7.033) 10.110 7.992 ( 4.840 2.207 2.157) 5.740 8.044 ( -3.258 8.201 -5.872) 10.599 8.133 ( -1.344 3.634 -1.789) 4.268 8.212 ( -9.859 -0.306 3.682) 10.529 8.341 ( 1.523 0.532 -12.898) 12.999 8.450 ( -6.478 1.348 6.464) 9.250 8.546 ( -3.625 1.990 -4.406) 6.043 8.573 ( -3.073 2.033 -8.626) 9.380 8.799 ( 7.614 1.399 -5.042) 9.239 8.975 ( -2.563 0.199 -4.804) 5.449 9.096 ( -16.338 -1.493 -15.947) 22.879 9.135 ( -16.133 -1.194 -16.254) 22.933 9.217 ( 9.628 -2.318 -12.239) 15.744 9.554 ( 3.038 -1.606 -3.605) 4.981 9.747 ( -4.825 -1.289 1.609) 5.247 9.774 ( -6.483 -2.505 0.108) 6.951 9.856 ( 7.758 -0.985 -1.269) 7.923 9.868 ( -5.593 -0.739 6.865) 8.886 10.107 ( 4.979 -4.619 1.293) 6.914 10.242 ( -8.883 -2.614 7.255) 11.763 10.362 ( -6.995 -3.143 -18.671) 20.185 10.388 ( -4.542 -4.037 2.439) 6.548 10.507 ( 1.040 -2.475 1.601) 3.126 10.579 ( -2.606 -1.051 4.252) 5.097 10.788 ( -8.346 -2.544 -5.893) 10.529 10.939 ( 2.620 -4.026 -6.932) 8.434 11.108 ( -2.763 -5.997 -1.981) 6.893 11.160 ( -1.435 -1.612 -0.111) 2.161 11.193 ( 1.364 -2.595 0.088) 2.933 11.343 ( 3.239 -2.722 3.916) 5.765 11.378 ( 7.294 -2.142 9.786) 12.392 11.483 ( 7.780 -5.653 3.499) 10.233 11.772 ( -2.506 -0.634 9.637) 9.978 11.920 ( -3.314 -3.960 11.081) 12.225 11.949 ( -1.237 2.756 -0.397) 3.047 12.023 ( -2.558 -1.181 7.521) 8.031 12.045 ( -1.867 -0.270 6.283) 6.560 12.200 ( -0.700 0.942 2.760) 2.999 12.230 ( 6.202 2.067 4.742) 8.076 12.269 ( -0.770 2.077 -2.249) 3.157 12.281 ( 7.081 1.827 0.773) 7.353 12.307 ( 6.120 -0.251 -1.038) 6.213 12.428 ( -2.027 -2.679 0.983) 3.500 12.509 ( -0.696 2.657 -2.327) 3.600 12.598 ( -5.139 0.902 2.457) 5.767 12.708 ( 1.435 0.600 -6.889) 7.062 12.841 ( 3.614 0.922 -1.950) 4.208 12.890 ( -2.711 2.357 -3.710) 5.164 12.992 ( 1.294 -1.967 1.848) 2.994 13.155 ( 5.066 0.081 -0.457) 5.088 13.216 ( -3.261 -3.416 0.760) 4.783 13.306 ( -3.841 2.250 -3.902) 5.919 13.361 ( 1.070 -4.915 -1.644) 5.292 13.436 ( 9.986 1.643 -1.750) 10.271 13.673 ( 5.583 0.041 1.224) 5.715 13.729 ( 2.108 3.713 0.237) 4.276 13.864 ( 1.395 -1.470 6.955) 7.244 14.020 ( 10.656 -1.096 4.829) 11.751 14.209 ( -7.415 -1.667 10.155) 12.684 14.262 ( 16.708 0.855 0.294) 16.732 14.594 ( 2.763 0.107 -2.524) 3.744 14.721 ( 2.519 2.242 4.148) 5.345 14.839 ( 2.543 -0.038 5.794) 6.328 15.006 ( -1.996 0.042 -13.158) 13.309 15.174 ( -4.983 5.350 -5.084) 8.905 15.240 ( -5.526 -1.775 -7.907) 9.809 15.322 ( -6.044 -1.910 -12.604) 14.108 15.531 ( -12.112 3.762 3.874) 13.262 15.738 ( 1.968 0.875 2.739) 3.485 15.836 ( -1.041 2.202 2.968) 3.839 15.887 ( 3.328 3.058 -0.740) 4.580 16.136 ( -18.949 1.682 0.868) 19.043 16.300 ( -8.956 0.887 -5.076) 10.332 16.618 ( 1.716 1.206 -5.048) 5.466 16.665 ( -2.090 -0.019 -4.931) 5.356 16.912 ( -3.159 1.929 -9.098) 9.823 17.220 ( -8.002 -2.834 -9.177) 12.501 17.348 ( 3.689 0.596 14.468) 14.943 17.467 ( 11.346 0.771 4.550) 12.249 17.584 ( 5.577 1.719 6.789) 8.952 17.741 ( 0.738 0.069 6.901) 6.941 17.808 ( -4.650 0.618 6.824) 8.281 17.876 ( -3.667 1.260 -3.260) 5.065 17.996 ( -1.099 -1.841 -3.125) 3.790 18.065 ( 7.573 -0.935 2.784) 8.123 18.090 ( 3.830 -0.863 -0.813) 4.009 18.152 ( 3.778 -0.497 0.449) 3.837 18.329 ( -1.314 2.697 -2.278) 3.767 18.394 ( 0.134 0.975 -3.451) 3.589 18.480 ( 1.456 0.302 -5.975) 6.157 18.531 ( 0.624 1.190 -3.632) 3.872 18.673 ( -1.148 -1.051 0.637) 1.682 18.705 ( -1.669 -0.852 2.452) 3.086 18.897 ( 3.636 0.211 -1.195) 3.833 19.002 ( 3.585 0.510 -8.075) 8.849 19.338 ( 4.206 -0.560 6.607) 7.852 19.402 ( 2.261 -0.725 9.045) 9.351 19.498 ( 12.299 0.959 5.956) 13.699 19.687 ( 10.211 1.441 6.274) 12.071 19.900 ( 7.035 0.415 5.393) 8.874 19.930 ( 7.943 0.670 5.899) 9.917 20.163 ( -6.522 -4.352 11.397) 13.834 20.310 ( -11.228 -0.318 -4.920) 12.263 20.400 ( -9.838 0.992 -1.324) 9.976 20.531 ( 3.730 -1.888 -5.869) 7.205 20.705 ( 5.867 -0.415 1.577) 6.090 20.744 ( -10.549 -0.780 -1.906) 10.748 20.780 ( -5.750 -2.331 -2.099) 6.550 20.861 ( 3.495 -1.063 1.264) 3.866 20.925 ( -0.429 -1.723 -6.158) 6.409 21.027 ( -7.938 -1.229 -2.287) 8.352 21.151 ( -1.918 -2.627 3.182) 4.551 21.244 ( -5.783 -0.689 2.100) 6.190 21.908 ( -7.881 -0.912 0.069) 7.934 21.972 ( 1.150 -0.898 -0.310) 1.492 22.164 ( 2.044 -1.927 10.958) 11.312 22.266 ( 0.263 -1.769 10.217) 10.372 22.575 ( 8.357 -1.121 -3.197) 9.018 22.655 ( 11.645 1.222 1.540) 11.810 22.847 ( -4.333 0.439 -1.794) 4.710 22.867 ( -0.154 -0.397 -1.803) 1.853 23.014 ( -6.434 -2.462 9.985) 12.131 23.084 ( 5.997 -1.477 1.791) 6.430 23.134 ( -3.336 -0.012 -3.127) 4.572 23.509 ( -1.307 -0.869 -4.756) 5.009 23.529 ( -7.485 -1.727 0.399) 7.692 23.570 ( -4.068 1.718 -1.645) 4.712 23.718 ( -4.196 1.262 1.846) 4.755 23.800 ( -10.825 -1.618 0.493) 10.956 23.830 ( -2.598 -1.341 -0.989) 3.086 24.015 ( -8.788 -0.410 -11.703) 14.641 24.172 ( 8.547 1.079 7.110) 11.170 24.387 ( 1.344 1.943 1.916) 3.041 24.582 ( 10.219 1.372 5.751) 11.807 24.850 ( 7.388 -2.361 -1.966) 8.002 24.944 ( 38.566 -15.607 -1.154) 41.621 25.055 ( -12.212 0.455 -7.403) 14.288 25.315 ( 16.578 -3.833 11.893) 20.760 25.367 ( 27.980 -4.628 2.219) 28.447 25.511 ( 7.601 -3.603 -9.629) 12.786 25.590 ( -0.123 0.111 -0.280) 0.326 25.820 ( 7.143 -7.267 -6.623) 12.152 26.035 ( 5.970 -0.536 -6.739) 9.019 26.248 ( -5.713 -0.573 16.950) 17.896 26.291 ( 0.481 -0.376 1.494) 1.614 26.423 ( 20.186 -0.910 -10.636) 22.835 27.118 ( -15.500 -3.948 -13.095) 20.672 27.183 ( -25.586 -9.106 3.681) 27.406 27.507 ( -1.275 -4.472 12.890) 13.704 27.757 ( -22.000 -13.070 -8.066) 26.831 27.915 ( -3.688 -5.010 -2.318) 6.639 28.092 ( -4.315 -6.689 7.645) 11.037 28.259 ( -14.350 -4.195 2.730) 15.198 28.326 ( 4.739 -10.573 5.006) 12.622 28.369 ( 4.057 -5.898 1.312) 7.278 28.594 ( -2.287 -3.767 8.153) 9.267 28.771 ( 7.414 -3.276 -5.899) 10.025 29.022 ( 8.723 -1.868 -1.204) 9.002 29.068 ( 1.465 -4.918 4.519) 6.838 29.405 ( -7.407 -4.421 -7.132) 11.192 29.514 ( -1.237 -4.755 -8.664) 9.960 29.800 ( 2.021 -5.464 -0.357) 5.837 29.854 ( 9.098 -3.628 -2.604) 10.135 30.353 ( 2.235 -2.777 12.918) 13.400 30.549 ( -5.534 -2.118 0.164) 5.927 30.600 ( -3.947 -3.077 -0.815) 5.071 30.643 ( -3.199 -3.387 0.219) 4.664 30.712 ( 0.444 -5.073 2.045) 5.488 30.772 ( 0.091 -7.754 -1.686) 7.936 30.958 ( 5.637 -6.131 6.702) 10.690 31.030 ( 2.094 -4.967 4.643) 7.114 31.222 ( 6.075 -1.669 -0.286) 6.307 31.350 ( -3.202 -12.322 -6.290) 14.200 31.438 ( 1.824 -7.110 4.610) 8.667 31.522 ( -3.120 -6.120 -0.966) 6.936 31.836 ( 0.345 -9.092 -10.868) 14.174 31.846 ( 3.742 -5.703 -11.237) 13.145 31.990 ( 2.076 -3.727 4.971) 6.551 32.226 ( -7.891 -8.332 -2.767) 11.804 32.510 ( -2.871 -2.451 7.835) 8.697 32.798 ( -13.214 0.866 0.989) 13.279 32.990 ( 1.577 0.864 5.942) 6.208 33.185 ( -0.905 -0.159 4.075) 4.177 33.531 ( 3.408 1.497 -7.138) 8.050 33.706 ( 5.173 3.100 -18.591) 19.545 34.028 ( 12.250 7.401 17.635) 22.712 34.580 ( 17.863 9.522 5.988) 21.109 35.286 ( 4.867 15.493 17.976) 24.225 37.006 ( -49.823 3.376 -45.203) 67.357 ======================= Grid point 67 (27/54) ======================= q-point: (-0.50 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 9.711 13.932) 16.982 1.904 ( 0.000 12.698 3.813) 13.258 2.013 ( 0.000 12.080 12.563) 17.429 2.195 ( 0.000 12.516 14.614) 19.241 2.514 ( 0.000 9.829 -7.047) 12.094 2.647 ( 0.000 -2.465 -17.252) 17.428 2.687 ( -0.000 6.841 -11.984) 13.799 2.833 ( -0.000 0.188 3.201) 3.207 2.850 ( -0.000 5.664 -2.672) 6.263 2.868 ( 0.000 8.719 -6.066) 10.622 3.101 ( 0.000 5.114 5.087) 7.214 3.167 ( -0.000 2.056 -0.025) 2.056 3.233 ( 0.000 1.998 4.589) 5.005 3.253 ( 0.000 0.720 1.972) 2.100 3.294 ( -0.000 1.226 1.098) 1.646 3.301 ( 0.000 0.308 0.418) 0.519 3.361 ( 0.000 0.096 0.247) 0.265 3.367 ( 0.000 -0.104 -0.192) 0.218 3.430 ( -0.000 4.055 0.755) 4.125 3.462 ( 0.000 2.966 0.348) 2.987 3.536 ( -0.000 1.609 1.404) 2.135 3.665 ( 0.000 5.891 3.217) 6.712 3.877 ( 0.000 8.948 5.746) 10.634 3.894 ( 0.000 -0.695 0.913) 1.147 4.018 ( 0.000 -3.069 -3.712) 4.816 4.138 ( 0.000 0.829 -6.683) 6.734 4.348 ( 0.000 0.904 -0.216) 0.929 4.381 ( 0.000 -3.181 1.191) 3.397 4.602 ( 0.000 -7.984 2.098) 8.255 4.655 ( 0.000 -7.648 2.629) 8.088 4.781 ( 0.000 -5.247 -0.864) 5.318 4.819 ( 0.000 -4.315 -0.438) 4.337 5.353 ( 0.000 -2.115 -2.070) 2.959 5.491 ( 0.000 -1.173 -1.671) 2.041 5.671 ( 0.000 -3.692 0.311) 3.705 5.747 ( -0.000 -2.335 -0.017) 2.335 6.388 ( 0.000 -6.182 2.563) 6.692 6.419 ( 0.000 -7.626 0.279) 7.631 6.492 ( 0.000 -2.568 1.923) 3.208 6.622 ( -0.000 0.888 7.081) 7.136 6.794 ( 0.000 -1.557 12.121) 12.221 6.833 ( -0.000 -2.992 14.596) 14.899 6.957 ( 0.000 -3.388 -7.077) 7.846 7.032 ( 0.000 0.968 -10.110) 10.156 7.155 ( 0.000 1.517 2.272) 2.732 7.273 ( 0.000 -2.401 2.379) 3.380 7.434 ( -0.000 -2.698 1.967) 3.339 7.468 ( 0.000 -2.433 3.666) 4.400 7.715 ( 0.000 -2.558 11.296) 11.582 7.770 ( 0.000 0.003 2.114) 2.114 7.876 ( -0.000 2.095 -9.220) 9.454 7.908 ( 0.000 -2.175 -6.813) 7.151 8.083 ( 0.000 5.575 -1.785) 5.854 8.124 ( -0.000 4.303 -5.493) 6.978 8.216 ( 0.000 5.615 3.362) 6.545 8.224 ( -0.000 2.919 -2.040) 3.561 8.404 ( 0.000 -0.769 -7.401) 7.440 8.503 ( 0.000 -2.765 3.441) 4.414 8.597 ( -0.000 1.774 -7.149) 7.366 8.642 ( 0.000 -0.083 -7.514) 7.514 8.856 ( 0.000 1.367 -4.102) 4.324 8.864 ( -0.000 -0.339 0.350) 0.488 9.197 ( -0.000 -2.333 -11.411) 11.648 9.345 ( 0.000 -1.882 -7.150) 7.394 9.544 ( 0.000 0.093 5.016) 5.017 9.555 ( -0.000 -3.754 -3.002) 4.807 9.860 ( 0.000 1.062 2.958) 3.143 9.872 ( 0.000 -2.044 -9.639) 9.853 9.931 ( -0.000 -4.151 -9.278) 10.164 10.090 ( -0.000 -1.864 -1.121) 2.175 10.117 ( 0.000 -2.579 -3.206) 4.114 10.181 ( 0.000 -3.349 -7.264) 7.999 10.512 ( -0.000 -3.990 4.510) 6.022 10.559 ( -0.000 -2.242 8.414) 8.707 10.573 ( 0.000 -2.699 0.902) 2.846 10.638 ( -0.000 -1.797 0.893) 2.007 10.996 ( 0.000 -5.218 -6.171) 8.082 11.038 ( 0.000 -4.944 -7.591) 9.059 11.131 ( -0.000 -3.578 1.084) 3.738 11.222 ( 0.000 -1.173 -1.764) 2.118 11.383 ( 0.000 -2.569 2.072) 3.300 11.424 ( -0.000 -0.606 13.006) 13.020 11.569 ( 0.000 -3.296 -6.205) 7.026 11.691 ( -0.000 -2.664 -3.340) 4.272 11.880 ( -0.000 -2.954 3.069) 4.260 11.957 ( 0.000 1.280 5.033) 5.194 12.022 ( 0.000 -1.716 21.184) 21.253 12.056 ( -0.000 0.248 10.190) 10.193 12.083 ( 0.000 2.875 -3.959) 4.893 12.258 ( 0.000 -0.464 5.655) 5.674 12.330 ( -0.000 2.236 -1.691) 2.804 12.346 ( 0.000 1.878 6.546) 6.810 12.381 ( -0.000 -0.685 6.067) 6.105 12.449 ( 0.000 4.436 2.440) 5.063 12.567 ( -0.000 1.857 -3.494) 3.957 12.598 ( 0.000 -2.305 -2.373) 3.308 12.720 ( 0.000 -1.852 -8.555) 8.753 12.722 ( -0.000 4.545 -3.400) 5.676 13.000 ( -0.000 2.254 -6.298) 6.690 13.023 ( 0.000 0.237 -1.459) 1.478 13.027 ( -0.000 -2.836 3.695) 4.658 13.246 ( 0.000 -2.577 -3.324) 4.206 13.271 ( 0.000 -1.537 2.556) 2.983 13.378 ( 0.000 1.112 -0.093) 1.116 13.609 ( 0.000 3.572 2.921) 4.614 13.663 ( -0.000 3.474 2.117) 4.068 13.781 ( -0.000 -0.817 3.772) 3.859 13.900 ( 0.000 -1.189 -0.796) 1.430 14.102 ( 0.000 -3.864 9.657) 10.401 14.153 ( 0.000 -4.206 9.895) 10.752 14.506 ( 0.000 4.849 -1.097) 4.971 14.529 ( -0.000 3.681 -0.672) 3.742 14.811 ( -0.000 3.603 -2.059) 4.150 14.875 ( 0.000 -4.078 -11.856) 12.537 15.074 ( -0.000 5.553 6.102) 8.251 15.090 ( 0.000 -2.670 -5.470) 6.087 15.162 ( 0.000 -0.507 -10.208) 10.220 15.256 ( 0.000 1.579 -7.933) 8.089 15.444 ( 0.000 -0.965 5.116) 5.206 15.614 ( -0.000 0.670 6.862) 6.895 15.876 ( 0.000 2.523 2.575) 3.605 15.886 ( -0.000 0.044 9.985) 9.985 15.979 ( 0.000 3.560 -4.655) 5.860 16.058 ( -0.000 1.298 3.486) 3.720 16.674 ( 0.000 0.661 -17.951) 17.963 16.692 ( -0.000 0.451 -17.123) 17.129 16.996 ( -8.760 0.235 -13.314) 15.939 16.996 ( 8.760 0.230 -10.975) 14.044 17.437 ( -0.000 -0.623 11.836) 11.852 17.608 ( -0.000 0.505 6.824) 6.843 17.611 ( 0.000 0.021 6.851) 6.851 17.658 ( 0.000 1.295 10.153) 10.236 17.806 ( 0.000 0.335 2.822) 2.842 17.837 ( 0.000 0.632 2.195) 2.284 17.938 ( 0.000 -1.767 -5.657) 5.926 18.061 ( 0.000 -0.332 -2.177) 2.202 18.252 ( 0.000 0.499 0.811) 0.952 18.288 ( 0.000 3.095 -3.113) 4.390 18.296 ( -0.000 -0.220 -1.387) 1.404 18.356 ( 0.000 2.015 2.883) 3.518 18.497 ( -0.000 -0.107 -3.951) 3.952 18.527 ( 0.000 0.396 -2.731) 2.759 18.640 ( 0.000 -3.186 7.522) 8.169 18.687 ( 0.000 -0.989 0.994) 1.402 18.955 ( 0.000 0.186 -4.061) 4.065 19.043 ( 0.000 1.108 -4.751) 4.879 19.399 ( -0.000 -1.783 13.667) 13.783 19.416 ( 0.000 -0.798 12.390) 12.415 19.722 ( 0.000 0.511 5.463) 5.487 19.725 ( -0.000 0.730 5.513) 5.561 20.052 ( -0.000 1.481 -2.783) 3.152 20.066 ( 0.000 -1.503 7.611) 7.758 20.118 ( 0.000 2.465 -3.424) 4.219 20.143 ( 0.000 -0.538 9.565) 9.580 20.367 ( 0.000 -0.702 -7.993) 8.024 20.400 ( -0.000 -0.134 -9.301) 9.302 20.617 ( -0.000 -3.245 -3.517) 4.785 20.670 ( 0.000 -3.918 -5.081) 6.416 20.868 ( -0.000 -0.938 2.173) 2.367 20.880 ( 0.000 -0.995 3.796) 3.925 20.928 ( 0.000 -0.204 -1.284) 1.300 21.018 ( 0.000 1.298 0.429) 1.367 21.087 ( -0.000 -2.556 -4.654) 5.310 21.089 ( 0.000 -1.644 -4.510) 4.800 21.807 ( 0.000 -1.135 12.873) 12.923 21.887 ( 0.000 -0.518 12.687) 12.697 22.310 ( -0.000 -0.958 0.397) 1.037 22.366 ( -0.000 -0.443 0.713) 0.839 22.628 ( 0.000 -0.887 -4.116) 4.210 22.642 ( -0.000 -0.678 -3.890) 3.949 22.890 ( -0.000 -0.722 4.457) 4.515 22.901 ( 0.000 -0.964 2.411) 2.597 22.978 ( 0.000 1.246 2.703) 2.976 22.989 ( -0.000 0.706 -2.158) 2.271 23.319 ( -0.000 -2.249 -0.239) 2.262 23.339 ( 0.000 -2.626 3.929) 4.726 23.485 ( -0.000 0.150 -3.325) 3.328 23.499 ( 0.000 0.342 -5.631) 5.641 23.653 ( -0.000 -0.227 3.615) 3.623 23.668 ( 0.000 -0.529 3.315) 3.357 23.869 ( -0.000 -0.532 -7.076) 7.096 23.893 ( 0.000 -0.332 -8.493) 8.499 24.304 ( 0.000 1.884 7.448) 7.682 24.349 ( 0.000 2.439 6.176) 6.640 24.785 ( 0.000 1.336 -3.767) 3.997 24.793 ( -0.000 1.941 -3.370) 3.889 25.050 ( -0.000 -3.542 -10.272) 10.866 25.098 ( 0.000 -2.966 -11.990) 12.351 25.523 ( 0.000 -1.916 5.881) 6.185 25.559 ( -0.000 -1.134 2.650) 2.882 25.754 ( 0.000 -6.898 9.954) 12.111 25.862 ( 0.000 -0.780 13.837) 13.859 25.960 ( -0.000 -3.398 -0.484) 3.433 26.045 ( 0.000 -8.378 1.546) 8.520 26.325 ( 0.000 -4.831 -6.432) 8.044 26.401 ( -0.000 -3.373 1.792) 3.820 26.665 ( -0.000 -19.660 -4.130) 20.089 26.873 ( -0.000 -7.968 -12.323) 14.674 26.961 ( -0.000 -9.615 -12.426) 15.711 26.983 ( 0.000 -23.609 -12.703) 26.810 27.672 ( -0.000 -2.855 15.881) 16.136 27.936 ( 0.000 -7.797 11.239) 13.679 28.016 ( 0.000 -2.080 4.455) 4.917 28.049 ( -0.000 -1.115 3.261) 3.446 28.360 ( 0.000 -7.825 1.599) 7.986 28.370 ( 0.000 -9.668 3.989) 10.458 28.718 ( -0.000 -1.560 5.798) 6.004 28.755 ( 0.000 -3.203 3.830) 4.993 29.135 ( -0.000 -3.498 -11.637) 12.152 29.161 ( 0.000 -3.575 -10.182) 10.791 29.331 ( 0.000 -6.175 -0.901) 6.241 29.355 ( -0.000 -5.305 -0.948) 5.389 29.897 ( 0.000 -2.380 1.307) 2.716 29.933 ( 0.000 -2.865 2.438) 3.762 30.437 ( 0.000 -2.833 5.029) 5.772 30.455 ( -0.000 -1.005 6.075) 6.158 30.553 ( 0.000 -1.952 -1.339) 2.367 30.585 ( 0.000 -4.446 -1.511) 4.696 30.732 ( 0.000 -4.436 -1.492) 4.680 30.762 ( 0.000 -5.650 -1.837) 5.942 31.019 ( 0.000 -7.878 5.571) 9.649 31.037 ( -0.000 -7.779 6.332) 10.031 31.306 ( -0.000 -3.877 -1.183) 4.053 31.343 ( 0.000 -11.896 -5.707) 13.194 31.445 ( 0.000 -3.964 6.288) 7.434 31.475 ( 0.000 -6.453 1.615) 6.652 31.830 ( 0.000 -11.654 -9.635) 15.121 31.904 ( 0.000 -3.321 -11.371) 11.846 32.064 ( 0.000 -3.392 1.912) 3.894 32.073 ( -0.000 -6.038 0.162) 6.040 32.538 ( 0.000 0.117 0.646) 0.657 32.566 ( -0.000 -6.649 0.429) 6.663 33.054 ( 0.000 0.542 6.610) 6.633 33.165 ( -0.000 -1.249 6.878) 6.991 33.572 ( 0.000 2.139 -8.211) 8.486 33.731 ( 0.000 1.536 -18.290) 18.354 34.226 ( 0.000 11.549 26.486) 28.894 34.664 ( 0.000 7.438 24.481) 25.586 35.802 ( 0.000 18.886 -26.536) 32.571 36.037 ( -0.000 14.925 -19.232) 24.344 ======================= Grid point 70 (28/54) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.000 19.542 13.953) 24.012 2.007 ( 0.000 14.889 16.894) 22.519 2.381 ( 0.000 2.353 -7.285) 7.656 2.419 ( 0.000 5.989 3.927) 7.162 2.467 ( 0.000 23.441 4.284) 23.830 2.705 ( 0.000 11.598 6.771) 13.430 2.808 ( 0.000 8.557 -8.048) 11.747 2.844 ( 0.000 14.118 -6.663) 15.611 2.882 ( 0.000 5.490 -1.711) 5.751 2.964 ( 0.000 1.862 -0.706) 1.992 3.138 ( 0.000 0.053 0.953) 0.954 3.141 ( 0.000 -3.408 -2.393) 4.164 3.156 ( 0.000 5.029 -5.966) 7.803 3.250 ( 0.000 -1.953 -2.504) 3.175 3.277 ( 0.000 -0.175 -3.989) 3.992 3.319 ( 0.000 -0.593 2.776) 2.839 3.329 ( 0.000 6.849 5.587) 8.839 3.431 ( 0.000 0.119 -0.324) 0.345 3.514 ( 0.000 -0.536 -0.329) 0.629 3.520 ( 0.000 2.319 0.040) 2.319 3.646 ( 0.000 9.632 2.393) 9.925 3.707 ( 0.000 -1.428 8.364) 8.485 3.837 ( 0.000 1.228 -3.271) 3.494 3.962 ( 0.000 -1.936 -3.576) 4.067 4.114 ( 0.000 0.609 3.564) 3.615 4.329 ( 0.000 -7.613 -4.482) 8.834 4.345 ( 0.000 -6.252 0.380) 6.264 4.402 ( 0.000 -2.864 -1.714) 3.338 4.498 ( 0.000 -8.886 7.775) 11.807 4.652 ( 0.000 -2.239 0.390) 2.273 4.823 ( 0.000 -8.062 2.512) 8.444 4.989 ( 0.000 2.471 3.396) 4.200 5.067 ( 0.000 -3.344 -5.017) 6.030 5.163 ( 0.000 -0.461 -3.550) 3.580 5.742 ( 0.000 -0.904 -0.029) 0.904 5.877 ( 0.000 -3.126 -4.872) 5.789 6.090 ( 0.000 -2.123 8.770) 9.023 6.306 ( 0.000 -3.593 11.415) 11.967 6.414 ( 0.000 -8.534 2.940) 9.026 6.417 ( 0.000 0.747 -3.103) 3.192 6.550 ( 0.000 -10.060 -0.057) 10.060 6.631 ( 0.000 -1.922 13.255) 13.393 6.767 ( 0.000 -1.677 3.586) 3.959 6.905 ( 0.000 -4.542 13.451) 14.197 7.057 ( 0.000 -7.909 -8.988) 11.972 7.108 ( 0.000 -3.321 2.111) 3.935 7.315 ( 0.000 -1.865 -13.045) 13.178 7.507 ( 0.000 1.357 1.221) 1.826 7.695 ( 0.000 -0.470 3.503) 3.534 7.717 ( 0.000 -0.494 1.309) 1.399 7.902 ( 0.000 0.285 6.323) 6.329 7.987 ( 0.000 1.441 1.189) 1.868 8.164 ( 0.000 0.891 -9.928) 9.968 8.188 ( 0.000 -0.346 -2.218) 2.244 8.325 ( 0.000 1.920 2.429) 3.096 8.380 ( 0.000 5.932 -6.036) 8.462 8.551 ( 0.000 0.817 5.066) 5.132 8.571 ( 0.000 -0.290 -10.059) 10.063 8.669 ( 0.000 -0.921 -1.168) 1.488 8.713 ( 0.000 -11.343 -7.297) 13.488 8.786 ( 0.000 -1.169 -14.003) 14.051 9.061 ( 0.000 0.596 -1.490) 1.605 9.271 ( 0.000 -1.469 -2.931) 3.278 9.375 ( 0.000 -0.648 -8.166) 8.192 9.577 ( 0.000 0.018 -22.038) 22.038 9.600 ( 0.000 -0.059 -18.102) 18.102 9.740 ( 0.000 -0.434 0.396) 0.588 9.795 ( 0.000 -2.091 -0.819) 2.246 9.910 ( 0.000 -1.533 9.422) 9.546 10.234 ( 0.000 -5.495 -12.173) 13.356 10.257 ( 0.000 -0.810 3.448) 3.542 10.279 ( 0.000 -4.219 6.562) 7.802 10.410 ( 0.000 -1.014 18.548) 18.575 10.512 ( 0.000 0.764 -6.721) 6.764 10.619 ( 0.000 -7.261 -4.571) 8.580 10.807 ( 0.000 -5.841 -1.679) 6.078 10.881 ( 0.000 -4.693 3.095) 5.622 11.020 ( 0.000 -3.666 3.370) 4.980 11.033 ( 0.000 -4.298 -6.076) 7.442 11.100 ( 0.000 -7.738 0.983) 7.800 11.136 ( 0.000 -2.331 1.006) 2.539 11.190 ( 0.000 0.206 -2.017) 2.028 11.400 ( 0.000 1.719 7.383) 7.581 11.785 ( 0.000 -0.702 21.847) 21.858 11.887 ( 0.000 -3.906 22.117) 22.459 11.996 ( 0.000 -3.976 -7.047) 8.092 12.052 ( 0.000 0.897 3.672) 3.780 12.065 ( 0.000 -1.958 1.577) 2.515 12.084 ( 0.000 0.023 9.560) 9.560 12.169 ( 0.000 -0.805 -2.427) 2.557 12.191 ( 0.000 4.386 5.239) 6.832 12.256 ( 0.000 2.364 -0.813) 2.500 12.320 ( 0.000 -0.578 1.751) 1.844 12.407 ( 0.000 -3.545 -10.669) 11.242 12.661 ( 0.000 2.338 -3.115) 3.895 12.694 ( 0.000 3.823 -8.343) 9.177 12.771 ( 0.000 -0.404 -1.297) 1.358 12.787 ( 0.000 4.616 13.249) 14.030 12.892 ( 0.000 -0.965 2.763) 2.926 12.913 ( 0.000 -3.144 -4.093) 5.161 13.146 ( 0.000 -3.346 6.554) 7.358 13.170 ( 0.000 -4.840 -7.119) 8.608 13.174 ( 0.000 -1.213 -2.418) 2.705 13.305 ( 0.000 -2.138 -3.764) 4.328 13.493 ( 0.000 3.075 -5.678) 6.457 13.588 ( 0.000 -2.364 -13.689) 13.892 13.649 ( 0.000 2.699 5.756) 6.358 13.818 ( 0.000 -2.159 16.907) 17.045 13.918 ( 0.000 3.329 -1.680) 3.729 14.118 ( 0.000 0.616 4.655) 4.695 14.336 ( 0.000 1.438 13.066) 13.145 14.454 ( 0.000 -1.270 -3.142) 3.389 14.729 ( 0.000 0.440 13.757) 13.764 14.841 ( 0.000 2.508 -0.931) 2.675 15.100 ( 0.000 1.110 -20.293) 20.324 15.261 ( 0.000 -2.980 -9.543) 9.998 15.285 ( 0.000 -2.154 -13.526) 13.696 15.410 ( 0.000 4.636 -10.849) 11.798 15.673 ( 0.000 -1.286 3.327) 3.567 15.846 ( 0.000 3.569 6.439) 7.362 15.866 ( 0.000 1.687 9.293) 9.445 15.941 ( 0.000 0.735 2.884) 2.976 16.152 ( 0.000 1.710 -15.812) 15.904 16.440 ( 0.000 2.396 -13.824) 14.030 16.634 ( 0.000 0.389 15.214) 15.219 17.004 ( 0.000 -0.230 -9.455) 9.458 17.046 ( 0.000 1.683 -5.439) 5.694 17.106 ( 0.000 0.008 14.124) 14.124 17.237 ( 0.000 -2.816 -5.974) 6.604 17.332 ( 0.000 0.381 16.007) 16.011 17.527 ( 0.000 4.631 4.676) 6.581 17.794 ( 0.000 2.009 19.261) 19.366 17.843 ( 0.000 -0.270 -8.531) 8.535 17.898 ( 0.000 0.006 5.404) 5.404 17.917 ( 0.000 -0.673 1.891) 2.008 17.987 ( 0.000 -1.129 -1.283) 1.709 18.097 ( 0.000 -0.514 -10.327) 10.340 18.150 ( 0.000 -0.826 -1.714) 1.902 18.334 ( 0.000 0.536 -1.520) 1.612 18.449 ( 0.000 0.020 -10.336) 10.336 18.467 ( 0.000 3.004 -2.766) 4.084 18.535 ( 0.000 0.717 -4.156) 4.218 18.672 ( 0.000 0.252 -0.040) 0.255 18.718 ( 0.000 -0.136 4.079) 4.081 18.888 ( 0.000 1.028 -3.541) 3.688 18.951 ( 0.000 -0.070 -9.193) 9.194 19.282 ( 0.000 0.166 6.508) 6.510 19.359 ( 0.000 -0.399 8.483) 8.492 19.388 ( 0.000 0.821 6.259) 6.313 19.594 ( 0.000 2.107 0.964) 2.317 19.825 ( 0.000 -0.694 14.931) 14.948 19.853 ( 0.000 0.065 10.649) 10.650 20.137 ( 0.000 -2.961 11.254) 11.637 20.462 ( 0.000 -1.587 -5.088) 5.330 20.485 ( 0.000 0.122 -6.365) 6.366 20.583 ( 0.000 -1.623 -4.779) 5.047 20.593 ( 0.000 1.139 -6.214) 6.317 20.678 ( 0.000 -0.940 0.519) 1.074 20.845 ( 0.000 -2.947 11.460) 11.833 20.850 ( 0.000 -0.168 -11.604) 11.605 20.908 ( 0.000 -0.909 -6.834) 6.894 21.083 ( 0.000 0.822 10.352) 10.384 21.243 ( 0.000 -0.353 1.643) 1.680 21.282 ( 0.000 -0.297 1.455) 1.485 21.703 ( 0.000 -2.020 -10.837) 11.024 22.005 ( 0.000 -5.364 -11.302) 12.510 22.245 ( 0.000 0.286 8.087) 8.092 22.379 ( 0.000 1.726 -0.002) 1.726 22.395 ( 0.000 1.306 15.488) 15.543 22.504 ( 0.000 1.886 4.564) 4.939 22.831 ( 0.000 0.158 3.227) 3.231 22.874 ( 0.000 -2.562 -4.528) 5.203 23.013 ( 0.000 0.233 4.545) 4.551 23.084 ( 0.000 -0.832 14.789) 14.812 23.201 ( 0.000 0.711 -9.966) 9.991 23.490 ( 0.000 0.364 -6.654) 6.664 23.598 ( 0.000 -0.269 -7.455) 7.460 23.650 ( 0.000 2.229 2.302) 3.204 23.821 ( 0.000 3.389 -5.143) 6.160 23.838 ( 0.000 0.497 6.204) 6.224 23.989 ( 0.000 0.434 -1.964) 2.012 24.131 ( 0.000 1.132 4.638) 4.775 24.218 ( 0.000 -2.885 -10.666) 11.049 24.236 ( 0.000 -0.198 1.033) 1.052 24.317 ( 0.000 -0.121 -3.197) 3.199 24.383 ( 0.000 0.732 2.120) 2.242 24.855 ( 0.000 -3.605 0.427) 3.630 24.897 ( 0.000 0.619 19.535) 19.545 24.974 ( 0.000 -1.882 8.682) 8.884 25.342 ( 0.000 1.458 -12.372) 12.457 25.513 ( 0.000 0.760 -17.882) 17.898 25.641 ( 0.000 0.363 2.345) 2.372 25.744 ( 0.000 -2.120 -3.653) 4.224 25.798 ( 0.000 -0.286 -20.541) 20.543 26.242 ( 0.000 -0.202 2.950) 2.957 26.286 ( 0.000 0.089 -0.244) 0.259 26.323 ( 0.000 -0.636 20.463) 20.472 27.155 ( 0.000 -2.687 -19.610) 19.793 27.400 ( 0.000 -1.830 9.689) 9.860 27.668 ( 0.000 -3.329 11.993) 12.446 27.736 ( 0.000 -5.909 -3.307) 6.772 27.859 ( 0.000 -3.773 0.182) 3.777 27.939 ( 0.000 -11.815 -1.277) 11.884 27.954 ( 0.000 -10.065 7.736) 12.694 28.305 ( 0.000 -0.795 1.429) 1.635 28.440 ( 0.000 -1.469 -3.230) 3.548 28.450 ( 0.000 -10.501 -0.511) 10.513 28.590 ( 0.000 -5.979 -1.890) 6.270 28.859 ( 0.000 -0.626 10.390) 10.409 29.006 ( 0.000 -1.639 5.298) 5.546 29.418 ( 0.000 -3.263 -9.528) 10.072 29.462 ( 0.000 -4.364 2.539) 5.049 29.544 ( 0.000 -0.697 -20.595) 20.607 29.727 ( 0.000 -6.696 -3.173) 7.410 30.298 ( 0.000 -1.784 13.719) 13.834 30.473 ( 0.000 -10.486 1.891) 10.656 30.549 ( 0.000 -7.363 -1.416) 7.498 30.580 ( 0.000 -2.817 0.639) 2.888 30.631 ( 0.000 -0.776 -1.015) 1.277 30.737 ( 0.000 -2.831 -5.218) 5.936 30.741 ( 0.000 -0.782 10.751) 10.780 30.952 ( 0.000 -3.532 5.396) 6.449 31.151 ( 0.000 0.458 -4.449) 4.473 31.255 ( 0.000 -6.992 -3.974) 8.043 31.278 ( 0.000 -4.448 7.405) 8.638 31.443 ( 0.000 -4.135 -4.007) 5.758 31.608 ( 0.000 -8.503 -9.147) 12.489 31.787 ( 0.000 -1.186 -15.578) 15.623 31.879 ( 0.000 -4.082 6.881) 8.000 32.113 ( 0.000 -7.801 -4.524) 9.018 32.667 ( 0.000 -4.966 13.135) 14.042 32.676 ( 0.000 0.506 19.303) 19.309 33.152 ( 0.000 -1.589 -2.799) 3.219 33.347 ( 0.000 0.132 -10.385) 10.386 33.433 ( 0.000 -0.817 -8.286) 8.326 33.548 ( 0.000 -1.926 -10.840) 11.009 33.957 ( 0.000 1.026 12.700) 12.742 34.376 ( 0.000 -2.339 -2.721) 3.588 35.421 ( 0.000 -1.339 32.626) 32.653 37.125 ( 0.000 -28.646 -35.492) 45.611 ======================= Grid point 71 (29/54) ======================= q-point: ( 0.25 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 5.822 14.135 9.047) 17.764 2.121 ( 7.401 17.273 8.338) 20.558 2.329 ( -3.949 11.304 1.171) 12.032 2.414 ( -0.795 7.876 3.840) 8.799 2.524 ( 5.379 4.806 -0.749) 7.252 2.732 ( 0.829 10.783 -1.951) 10.989 2.815 ( -0.220 6.630 -8.514) 10.794 2.856 ( -0.675 7.170 -1.031) 7.275 2.944 ( 4.960 6.413 0.422) 8.118 3.001 ( 6.653 9.015 -2.741) 11.535 3.120 ( 0.609 -0.292 -0.798) 1.046 3.140 ( -0.280 3.075 -4.376) 5.356 3.179 ( 0.495 -0.707 -0.400) 0.951 3.262 ( 5.477 1.279 1.241) 5.760 3.310 ( 0.423 0.265 2.112) 2.170 3.331 ( 0.667 4.439 3.762) 5.857 3.349 ( 1.627 0.713 0.614) 1.879 3.426 ( -0.993 0.910 -0.728) 1.531 3.487 ( -2.998 2.765 0.712) 4.140 3.511 ( 0.458 0.656 0.689) 1.055 3.583 ( -2.073 4.367 5.626) 7.418 3.809 ( 5.666 3.400 2.205) 6.966 3.860 ( 2.856 2.694 -3.022) 4.955 3.991 ( 0.466 -0.489 -2.230) 2.330 4.121 ( 1.099 -1.749 2.669) 3.375 4.268 ( -12.027 1.403 -0.076) 12.109 4.300 ( -2.928 -5.153 0.294) 5.934 4.391 ( 2.667 -7.086 0.385) 7.581 4.492 ( -3.614 -2.764 0.370) 4.565 4.496 ( -6.769 -3.050 3.022) 8.015 4.765 ( -5.383 -4.760 0.438) 7.199 4.794 ( -7.191 -4.945 0.554) 8.745 5.253 ( 5.753 -2.146 -1.997) 6.457 5.317 ( 12.868 -2.888 -4.141) 13.823 5.636 ( -7.977 -1.668 2.782) 8.611 5.800 ( -6.860 -3.948 -3.546) 8.673 6.252 ( 0.543 -5.231 2.318) 5.747 6.303 ( 4.915 -1.861 4.189) 6.721 6.307 ( 2.648 -6.865 0.305) 7.364 6.544 ( 9.195 -1.773 10.376) 13.977 6.673 ( 13.310 -3.698 7.252) 15.602 6.758 ( 3.087 -6.625 0.620) 7.335 6.826 ( -2.370 -5.478 12.112) 13.503 6.963 ( 3.355 -1.756 3.426) 5.106 7.006 ( 9.500 -2.924 -0.331) 9.945 7.127 ( -0.496 -3.540 0.427) 3.600 7.340 ( 1.211 -1.398 -2.320) 2.967 7.446 ( -1.263 -0.338 -6.570) 6.699 7.579 ( -2.696 -2.615 -3.364) 5.042 7.852 ( -2.875 1.885 1.521) 3.759 7.887 ( 2.788 0.591 8.017) 8.509 7.995 ( 4.726 -1.407 2.379) 5.475 8.071 ( -8.355 -3.086 -6.818) 11.217 8.182 ( -2.171 -1.392 -2.351) 3.490 8.255 ( -5.048 2.685 -4.622) 7.353 8.388 ( 0.899 4.569 -9.289) 10.390 8.474 ( -6.018 0.454 3.395) 6.924 8.508 ( -7.508 -4.860 -0.026) 8.944 8.602 ( 0.909 0.431 -6.632) 6.708 8.804 ( 8.193 0.052 -2.648) 8.610 8.976 ( -0.389 -0.444 -0.050) 0.592 9.055 ( -11.616 -1.950 -11.763) 16.646 9.128 ( -14.446 0.478 -17.863) 22.978 9.175 ( 0.321 -1.664 -8.789) 8.951 9.521 ( -0.431 -1.676 -2.151) 2.760 9.683 ( -6.664 -2.564 7.048) 10.033 9.762 ( -0.389 0.045 -7.751) 7.761 9.832 ( -5.497 -2.358 1.331) 6.128 9.842 ( 6.270 -1.136 3.457) 7.250 10.019 ( 5.050 -3.740 -0.435) 6.299 10.183 ( -8.637 -3.276 3.146) 9.758 10.289 ( -5.387 -3.685 -19.139) 20.221 10.315 ( -3.144 -3.067 4.952) 6.619 10.463 ( -1.356 -1.975 -0.497) 2.447 10.558 ( -2.807 -1.236 4.653) 5.573 10.739 ( -8.361 -2.265 -5.192) 10.099 10.844 ( 2.123 -5.385 -5.771) 8.174 10.994 ( -1.765 -5.356 0.603) 5.672 11.108 ( -0.183 -3.627 0.718) 3.702 11.159 ( 0.248 -0.461 0.729) 0.897 11.277 ( 9.627 -3.656 2.649) 10.633 11.336 ( 9.196 -2.895 -0.016) 9.641 11.396 ( 2.818 -2.212 7.841) 8.621 11.748 ( -5.736 -1.626 9.647) 11.341 11.859 ( -1.576 -1.692 9.862) 10.130 11.981 ( 0.438 -2.444 7.182) 7.599 12.004 ( -1.658 2.375 2.652) 3.927 12.038 ( -2.687 -0.202 12.622) 12.907 12.185 ( 5.084 -1.910 0.838) 5.495 12.244 ( 6.077 -0.578 0.672) 6.141 12.274 ( 2.019 0.383 -0.194) 2.064 12.326 ( 0.564 2.767 -1.760) 3.327 12.344 ( 2.294 -1.026 2.019) 3.224 12.402 ( 6.677 2.369 -3.496) 7.900 12.559 ( -2.953 2.340 -2.228) 4.377 12.615 ( -4.269 0.586 -2.154) 4.817 12.721 ( -3.950 0.961 -1.559) 4.354 12.846 ( 4.435 -1.934 -3.397) 5.912 12.914 ( 2.850 1.066 2.995) 4.270 12.962 ( -6.366 -1.155 1.702) 6.690 13.121 ( 3.679 -1.849 3.761) 5.577 13.195 ( 2.307 0.111 -4.206) 4.799 13.240 ( 4.416 -5.752 -1.669) 7.441 13.366 ( -1.899 2.395 -0.796) 3.158 13.442 ( 9.524 -0.819 -4.257) 10.464 13.671 ( 6.980 -0.504 0.607) 7.024 13.788 ( 1.312 1.646 5.868) 6.234 13.839 ( 3.042 0.005 12.529) 12.893 14.031 ( 5.104 1.826 -1.470) 5.616 14.178 ( -10.451 -1.261 7.318) 12.821 14.272 ( 19.290 0.224 -2.931) 19.513 14.582 ( 7.486 -0.735 -1.403) 7.652 14.789 ( 0.781 3.879 0.836) 4.045 14.840 ( 2.364 0.100 5.274) 5.780 15.001 ( -3.137 -0.403 -12.090) 12.497 15.191 ( -5.382 -2.817 -5.725) 8.347 15.215 ( -5.272 -1.413 -8.394) 10.013 15.331 ( -7.320 2.780 -9.429) 12.256 15.606 ( -10.462 3.550 3.593) 11.617 15.750 ( -0.717 0.271 3.532) 3.614 15.877 ( -1.522 1.817 4.287) 4.898 15.934 ( 3.366 1.532 1.575) 4.020 16.158 ( -19.891 0.625 5.716) 20.706 16.318 ( -7.192 0.915 -5.085) 8.855 16.643 ( 1.514 1.094 -8.646) 8.845 16.664 ( -3.883 0.032 -3.904) 5.506 16.948 ( -2.576 1.627 -9.374) 9.856 17.163 ( -7.065 -2.800 -10.441) 12.914 17.365 ( 5.269 1.042 11.198) 12.419 17.479 ( 10.645 0.379 2.901) 11.040 17.621 ( 1.695 1.915 5.433) 6.005 17.742 ( -1.259 0.045 6.119) 6.247 17.824 ( -2.835 0.945 4.157) 5.120 17.891 ( -3.134 0.257 -2.366) 3.935 17.958 ( 0.530 -1.755 -4.207) 4.589 18.033 ( 0.330 -1.747 -0.188) 1.787 18.091 ( 9.306 0.347 4.275) 10.247 18.151 ( 4.570 0.264 2.522) 5.227 18.375 ( 1.751 1.826 -2.806) 3.778 18.422 ( -1.250 1.822 -3.814) 4.408 18.490 ( 1.076 0.591 -4.114) 4.293 18.555 ( 0.520 1.101 -2.433) 2.720 18.658 ( -3.674 -0.386 0.954) 3.816 18.690 ( -2.085 -0.692 1.571) 2.701 18.905 ( 3.349 0.588 -0.481) 3.434 19.009 ( 4.207 0.209 -6.942) 8.120 19.326 ( 3.136 -0.638 8.728) 9.296 19.386 ( 1.486 -0.819 10.706) 10.839 19.517 ( 12.186 0.963 5.904) 13.575 19.714 ( 8.156 1.205 6.548) 10.528 19.911 ( 8.855 0.708 5.196) 10.291 19.941 ( 9.125 0.377 6.065) 10.963 20.103 ( -3.030 -1.733 8.157) 8.872 20.303 ( -11.410 -0.350 -8.452) 14.204 20.418 ( -8.721 0.726 -2.677) 9.152 20.494 ( 2.691 -1.819 -5.827) 6.671 20.686 ( -0.391 -1.751 2.246) 2.874 20.715 ( -8.445 -1.045 1.675) 8.673 20.757 ( -3.492 -0.257 -1.500) 3.810 20.853 ( 4.575 -0.128 -2.775) 5.353 20.890 ( -0.947 -1.692 -5.298) 5.641 21.007 ( -8.178 -0.843 -2.889) 8.715 21.104 ( -2.263 -2.083 1.587) 3.461 21.235 ( -6.268 -0.270 -1.225) 6.392 21.896 ( -2.273 -0.261 -1.965) 3.016 21.954 ( 0.786 -0.788 -1.393) 1.783 22.154 ( -0.343 0.567 8.977) 9.001 22.232 ( 2.184 -1.451 10.566) 10.887 22.571 ( 6.320 0.599 -2.718) 6.906 22.684 ( 11.908 1.634 0.841) 12.049 22.848 ( -2.711 -0.602 -3.950) 4.828 22.858 ( -0.122 -0.481 -2.432) 2.482 22.991 ( -6.540 0.190 9.251) 11.331 23.064 ( 7.475 -0.413 7.807) 10.816 23.142 ( -4.208 0.811 -5.882) 7.278 23.498 ( -0.733 -0.248 -5.941) 5.992 23.505 ( -8.383 -0.532 0.009) 8.399 23.608 ( -4.802 2.035 -1.643) 5.468 23.756 ( -7.050 2.266 1.485) 7.552 23.774 ( -12.193 -0.998 -0.441) 12.241 23.817 ( 0.064 0.208 -1.892) 1.904 24.012 ( -7.789 0.126 -12.647) 14.854 24.198 ( 9.540 1.396 6.287) 11.511 24.427 ( 3.400 2.021 1.082) 4.101 24.610 ( 12.276 1.251 6.038) 13.737 24.734 ( 31.936 -5.971 1.220) 32.513 24.809 ( 4.743 -2.031 -0.099) 5.161 25.071 ( -3.215 0.578 -6.116) 6.933 25.220 ( 13.622 -4.210 -0.576) 14.269 25.312 ( 24.137 -1.531 12.483) 27.217 25.483 ( 0.074 -0.214 -14.104) 14.106 25.595 ( -1.038 0.234 0.415) 1.142 25.727 ( 1.091 -2.895 -3.419) 4.611 26.027 ( 5.974 -0.300 -7.289) 9.429 26.233 ( -6.910 -0.874 17.725) 19.044 26.285 ( -0.036 -0.182 0.185) 0.262 26.404 ( 18.758 -0.917 -9.336) 20.973 26.982 ( -36.627 -7.700 6.464) 37.981 27.051 ( -15.191 -6.327 -17.942) 24.345 27.340 ( -30.396 -11.512 -3.643) 32.707 27.562 ( -1.606 -3.479 9.164) 9.933 27.876 ( 1.537 -1.442 0.701) 2.221 27.937 ( 0.702 -6.739 10.653) 12.626 28.173 ( -2.423 -4.001 4.599) 6.560 28.206 ( -3.957 -4.018 -2.133) 6.029 28.280 ( -1.745 -3.504 -0.634) 3.965 28.515 ( 1.117 -4.006 8.334) 9.314 28.701 ( 11.560 -3.606 -5.222) 13.188 28.977 ( 1.341 -2.652 3.214) 4.378 28.998 ( 5.127 -2.225 2.078) 5.963 29.327 ( -6.218 -3.376 -7.760) 10.502 29.416 ( -6.339 -4.953 -8.856) 11.965 29.713 ( 5.169 -3.153 -1.021) 6.141 29.793 ( 13.376 -2.530 -6.339) 15.017 30.297 ( 0.706 -2.723 11.527) 11.865 30.472 ( -0.674 -5.542 2.338) 6.053 30.514 ( -2.449 -5.421 -1.440) 6.121 30.574 ( -4.021 -2.440 1.100) 4.830 30.635 ( 0.710 -2.567 0.745) 2.766 30.656 ( 2.860 -3.757 -0.373) 4.736 30.868 ( -2.480 -3.206 5.323) 6.691 30.970 ( 6.457 -2.176 1.064) 6.896 31.116 ( -6.623 -7.390 -5.000) 11.112 31.227 ( 3.674 -1.745 -5.227) 6.623 31.326 ( 4.322 -4.438 6.708) 9.131 31.428 ( -2.550 -3.768 -1.449) 4.775 31.639 ( 1.362 -7.821 -7.644) 11.021 31.770 ( -0.781 -4.456 -7.904) 9.107 31.928 ( 3.558 -3.358 1.924) 5.257 32.090 ( -2.551 -4.679 -3.729) 6.504 32.437 ( -7.236 -4.401 11.221) 14.058 32.800 ( -13.060 -0.710 0.662) 13.096 32.972 ( -0.508 -2.594 4.205) 4.967 33.172 ( -2.478 -1.159 2.824) 3.931 33.548 ( 4.015 0.160 -7.939) 8.898 33.710 ( 4.129 -2.092 -18.635) 19.202 34.107 ( 14.241 0.807 18.673) 23.498 34.607 ( 15.179 -5.154 9.368) 18.567 35.429 ( 7.681 0.181 15.030) 16.880 36.774 ( -33.267 -21.143 -30.386) 49.769 ======================= Grid point 72 (30/54) ======================= q-point: (-0.50 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.000 12.204 4.023) 12.850 2.205 ( 0.000 16.617 1.975) 16.734 2.269 ( 0.000 12.796 6.983) 14.577 2.404 ( 0.000 7.827 3.939) 8.763 2.602 ( 0.000 0.570 -8.672) 8.690 2.740 ( 0.000 -2.746 1.132) 2.970 2.759 ( -0.000 12.827 -2.546) 13.077 2.897 ( 0.000 8.736 -10.512) 13.668 2.965 ( -0.000 4.949 -3.444) 6.029 3.038 ( 0.000 6.679 -1.109) 6.771 3.170 ( -0.000 -0.137 0.477) 0.496 3.170 ( 0.000 1.074 2.884) 3.078 3.270 ( 0.000 1.368 -2.322) 2.695 3.292 ( -0.000 1.065 -3.327) 3.493 3.311 ( -0.000 3.002 6.337) 7.012 3.336 ( 0.000 2.419 2.940) 3.807 3.363 ( -0.000 0.929 1.192) 1.511 3.378 ( 0.000 2.058 1.682) 2.658 3.484 ( 0.000 1.352 1.276) 1.859 3.517 ( 0.000 2.767 1.629) 3.211 3.641 ( -0.000 6.374 4.119) 7.589 3.819 ( 0.000 5.035 5.905) 7.760 3.901 ( 0.000 6.140 1.692) 6.368 3.970 ( -0.000 -1.045 -4.703) 4.818 4.053 ( 0.000 6.866 -1.477) 7.023 4.160 ( 0.000 1.688 2.633) 3.128 4.274 ( 0.000 -6.459 0.480) 6.477 4.369 ( 0.000 0.409 1.639) 1.689 4.449 ( 0.000 -7.135 3.180) 7.811 4.491 ( 0.000 -8.343 2.718) 8.775 4.692 ( 0.000 -3.116 -3.732) 4.862 4.726 ( 0.000 -4.833 -2.659) 5.516 5.315 ( 0.000 -1.692 -2.236) 2.804 5.452 ( 0.000 -2.639 -2.536) 3.660 5.579 ( 0.000 -5.310 1.737) 5.587 5.672 ( -0.000 -4.955 0.968) 5.048 6.250 ( 0.000 -7.156 -2.339) 7.529 6.270 ( -0.000 -7.115 -2.144) 7.431 6.460 ( 0.000 -1.189 2.444) 2.717 6.601 ( -0.000 -3.247 4.205) 5.313 6.761 ( 0.000 -3.528 16.095) 16.477 6.776 ( -0.000 -0.284 16.411) 16.413 6.881 ( 0.000 -3.628 -5.558) 6.637 7.042 ( 0.000 -0.280 -8.129) 8.134 7.163 ( 0.000 -0.782 1.059) 1.316 7.195 ( -0.000 -5.652 3.433) 6.613 7.369 ( 0.000 -3.887 1.649) 4.222 7.420 ( 0.000 -2.060 0.941) 2.265 7.640 ( 0.000 -3.900 9.475) 10.246 7.754 ( 0.000 -1.984 0.855) 2.160 7.879 ( -0.000 -0.161 -3.410) 3.414 7.882 ( -0.000 -1.248 -7.302) 7.408 8.144 ( 0.000 0.122 -4.768) 4.770 8.147 ( -0.000 -1.881 -3.557) 4.024 8.201 ( 0.000 -4.933 -3.864) 6.266 8.338 ( 0.000 3.131 4.886) 5.803 8.410 ( 0.000 3.061 -10.113) 10.566 8.477 ( 0.000 0.561 11.024) 11.038 8.599 ( 0.000 -3.711 3.433) 5.055 8.635 ( -0.000 1.531 -8.649) 8.784 8.873 ( -0.000 1.169 -6.503) 6.608 8.880 ( 0.000 0.848 -3.986) 4.076 9.159 ( -0.000 -1.444 -11.431) 11.522 9.299 ( 0.000 -2.447 -9.730) 10.033 9.474 ( 0.000 -3.494 -1.451) 3.784 9.559 ( -0.000 1.006 1.320) 1.660 9.809 ( 0.000 -2.911 -5.967) 6.639 9.854 ( 0.000 -1.205 -2.717) 2.972 9.891 ( -0.000 -0.515 -2.134) 2.196 10.020 ( -0.000 -4.352 -0.059) 4.353 10.102 ( 0.000 -0.256 -8.435) 8.439 10.121 ( -0.000 -2.511 -11.604) 11.873 10.420 ( -0.000 -4.753 2.977) 5.608 10.503 ( -0.000 -3.483 7.698) 8.449 10.532 ( 0.000 -1.399 3.895) 4.138 10.594 ( -0.000 -2.302 2.318) 3.266 10.898 ( 0.000 -4.817 -7.244) 8.700 10.936 ( 0.000 -5.353 -6.445) 8.378 11.068 ( -0.000 -2.439 4.001) 4.686 11.197 ( -0.000 -1.248 -2.182) 2.514 11.336 ( 0.000 -1.569 1.300) 2.037 11.400 ( 0.000 -1.710 12.791) 12.905 11.512 ( 0.000 -2.349 -5.350) 5.843 11.624 ( -0.000 -4.018 -1.847) 4.422 11.847 ( 0.000 -0.082 3.513) 3.514 11.978 ( -0.000 1.121 4.222) 4.368 11.999 ( 0.000 -0.600 19.724) 19.733 12.041 ( 0.000 -1.196 11.105) 11.169 12.150 ( 0.000 3.200 -2.703) 4.189 12.245 ( 0.000 -0.973 6.703) 6.773 12.334 ( 0.000 -2.239 0.513) 2.297 12.375 ( 0.000 0.874 0.347) 0.940 12.384 ( -0.000 1.628 4.172) 4.478 12.504 ( -0.000 0.878 0.667) 1.102 12.568 ( -0.000 -0.531 -1.494) 1.585 12.580 ( 0.000 -0.247 -7.186) 7.190 12.679 ( 0.000 -1.680 -4.768) 5.056 12.791 ( 0.000 2.083 -3.141) 3.769 12.971 ( 0.000 -1.675 4.136) 4.462 13.003 ( -0.000 -1.936 3.201) 3.741 13.091 ( 0.000 5.106 -4.329) 6.694 13.232 ( -0.000 1.160 -3.736) 3.912 13.244 ( 0.000 -1.128 0.570) 1.264 13.381 ( 0.000 -1.104 -4.021) 4.170 13.645 ( 0.000 0.030 7.649) 7.649 13.696 ( -0.000 -0.173 4.470) 4.474 13.778 ( -0.000 0.730 2.723) 2.819 13.898 ( -0.000 1.044 -0.475) 1.147 14.033 ( 0.000 -3.040 8.357) 8.893 14.090 ( 0.000 -2.086 8.145) 8.408 14.581 ( 0.000 1.810 -4.081) 4.465 14.593 ( -0.000 3.978 -3.159) 5.080 14.790 ( -0.000 -3.994 -12.558) 13.178 14.888 ( -0.000 3.698 -5.326) 6.484 15.029 ( -0.000 -3.160 -3.759) 4.910 15.146 ( 0.000 0.352 -9.166) 9.173 15.175 ( 0.000 2.789 4.355) 5.172 15.271 ( 0.000 0.063 -5.077) 5.078 15.438 ( 0.000 0.439 11.151) 11.159 15.612 ( -0.000 -0.836 10.579) 10.612 15.890 ( 0.000 0.348 9.739) 9.746 15.916 ( -0.000 1.230 3.543) 3.750 16.049 ( -0.000 3.118 -3.783) 4.902 16.080 ( 0.000 1.056 2.237) 2.474 16.687 ( 0.000 0.517 -16.995) 17.003 16.693 ( -0.000 -0.238 -15.913) 15.914 16.999 ( 0.000 0.019 -10.502) 10.502 17.000 ( -0.000 0.132 -14.259) 14.259 17.443 ( -0.000 1.146 6.718) 6.815 17.610 ( -0.000 -0.266 5.224) 5.231 17.614 ( 0.000 0.259 6.224) 6.230 17.676 ( 0.000 0.494 8.233) 8.248 17.812 ( -0.000 0.160 1.059) 1.071 17.834 ( 0.000 -0.945 -1.957) 2.173 17.915 ( 0.000 -0.493 -4.781) 4.806 18.035 ( 0.000 -2.038 -2.533) 3.251 18.266 ( 0.000 1.117 3.561) 3.732 18.298 ( -0.000 0.893 2.316) 2.482 18.364 ( 0.000 3.803 -2.492) 4.547 18.405 ( 0.000 2.667 4.666) 5.374 18.495 ( -0.000 -0.177 -2.866) 2.871 18.534 ( 0.000 0.343 -2.222) 2.248 18.583 ( 0.000 -2.387 6.676) 7.090 18.668 ( 0.000 -0.949 -0.506) 1.075 18.967 ( 0.000 1.010 -2.526) 2.720 19.056 ( 0.000 0.231 -3.231) 3.239 19.365 ( -0.000 -1.571 14.093) 14.181 19.397 ( 0.000 -1.076 12.969) 13.014 19.732 ( 0.000 0.475 5.739) 5.758 19.739 ( -0.000 0.629 5.705) 5.740 20.049 ( -0.000 -0.246 5.475) 5.481 20.078 ( 0.000 0.777 2.221) 2.353 20.142 ( -0.000 0.783 2.065) 2.209 20.165 ( 0.000 2.128 -3.828) 4.380 20.353 ( 0.000 -0.694 -7.197) 7.230 20.393 ( -0.000 -0.612 -8.962) 8.983 20.557 ( -0.000 -2.671 -3.292) 4.240 20.588 ( 0.000 -3.874 -3.685) 5.347 20.854 ( 0.000 -0.434 2.316) 2.357 20.865 ( -0.000 -0.597 3.431) 3.483 20.929 ( 0.000 0.339 -2.407) 2.431 21.029 ( -0.000 -1.870 -2.541) 3.155 21.044 ( 0.000 0.072 -2.463) 2.464 21.059 ( 0.000 -1.254 -4.083) 4.272 21.799 ( -0.000 0.312 9.556) 9.561 21.878 ( 0.000 -0.372 9.616) 9.623 22.299 ( -0.000 -0.063 0.862) 0.865 22.354 ( 0.000 -0.609 1.172) 1.321 22.629 ( 0.000 0.926 -4.998) 5.083 22.644 ( -0.000 0.808 -4.818) 4.885 22.874 ( -0.000 -0.852 2.548) 2.686 22.880 ( 0.000 -1.095 1.269) 1.676 23.007 ( 0.000 1.010 -0.935) 1.376 23.007 ( -0.000 1.550 2.786) 3.188 23.289 ( -0.000 -0.655 2.108) 2.207 23.298 ( 0.000 -1.169 5.234) 5.363 23.491 ( -0.000 0.394 -4.778) 4.794 23.504 ( 0.000 0.141 -6.497) 6.499 23.662 ( 0.000 1.024 3.411) 3.562 23.666 ( 0.000 0.353 2.569) 2.593 23.871 ( -0.000 0.739 -7.303) 7.340 23.896 ( 0.000 0.643 -8.313) 8.337 24.350 ( 0.000 2.598 7.141) 7.599 24.397 ( -0.000 2.318 5.607) 6.068 24.818 ( 0.000 1.995 -2.306) 3.049 24.839 ( -0.000 2.483 -2.334) 3.408 24.975 ( -0.000 -3.664 -8.451) 9.211 25.026 ( 0.000 -3.967 -9.676) 10.457 25.477 ( 0.000 -2.303 8.625) 8.927 25.529 ( -0.000 -1.690 4.441) 4.752 25.649 ( 0.000 -3.087 -0.899) 3.215 25.829 ( 0.000 -4.640 9.790) 10.834 25.876 ( -0.000 -4.873 -3.476) 5.986 25.918 ( 0.000 -1.486 4.407) 4.651 26.260 ( 0.000 -3.789 -0.076) 3.789 26.347 ( -0.000 -9.220 2.984) 9.691 26.349 ( 0.000 -2.517 3.004) 3.919 26.486 ( 0.000 -16.807 2.051) 16.932 26.865 ( -0.000 -2.999 -17.938) 18.187 26.869 ( 0.000 -2.153 -22.616) 22.718 27.635 ( -0.000 -1.043 15.962) 15.996 27.815 ( 0.000 -4.572 17.444) 18.033 27.998 ( 0.000 -0.526 -0.801) 0.958 28.026 ( -0.000 -1.207 2.200) 2.509 28.211 ( 0.000 -6.538 0.024) 6.538 28.220 ( -0.000 -6.512 -1.461) 6.674 28.689 ( -0.000 -1.356 5.387) 5.555 28.708 ( 0.000 -1.836 3.988) 4.390 29.060 ( -0.000 -3.911 -8.622) 9.467 29.077 ( 0.000 -4.519 -6.992) 8.325 29.229 ( -0.000 -3.888 -2.975) 4.896 29.266 ( -0.000 -3.676 -3.477) 5.060 29.860 ( 0.000 -1.481 0.560) 1.583 29.886 ( -0.000 -2.002 1.177) 2.322 30.374 ( 0.000 -3.486 1.375) 3.747 30.432 ( -0.000 -2.371 4.402) 5.001 30.468 ( 0.000 -4.967 0.147) 4.969 30.509 ( 0.000 -2.268 2.039) 3.050 30.667 ( 0.000 -2.370 -0.378) 2.400 30.696 ( 0.000 -2.139 -1.495) 2.609 30.869 ( 0.000 -6.776 0.995) 6.849 30.882 ( -0.000 -7.138 1.602) 7.316 31.195 ( -0.000 -4.196 -5.164) 6.654 31.241 ( 0.000 -2.694 -4.900) 5.592 31.380 ( -0.000 -2.714 4.122) 4.935 31.390 ( 0.000 -2.975 4.965) 5.788 31.639 ( 0.000 -7.731 -6.588) 10.158 31.765 ( 0.000 -8.397 -4.973) 9.759 31.974 ( -0.000 -3.823 1.032) 3.960 32.042 ( 0.000 -0.719 -0.428) 0.837 32.446 ( 0.000 -5.191 0.682) 5.236 32.520 ( 0.000 -2.099 -0.319) 2.123 33.050 ( 0.000 -0.870 5.279) 5.350 33.126 ( -0.000 -2.655 5.836) 6.411 33.599 ( 0.000 0.558 -9.704) 9.720 33.722 ( 0.000 -2.060 -17.567) 17.688 34.343 ( 0.000 0.890 27.298) 27.313 34.661 ( -0.000 -6.206 24.379) 25.157 35.905 ( 0.000 -5.069 -20.128) 20.756 36.054 ( -0.000 -9.335 -15.762) 18.320 ======================= Grid point 75 (31/54) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 13.792 5.695) 14.921 2.221 ( 0.000 8.627 9.692) 12.975 2.397 ( 0.000 0.408 -1.581) 1.633 2.609 ( 0.000 10.868 1.329) 10.949 2.736 ( 0.000 4.636 -10.242) 11.242 2.913 ( 0.000 2.463 4.289) 4.946 2.932 ( 0.000 3.854 -7.655) 8.570 2.959 ( 0.000 3.315 -1.455) 3.620 3.006 ( 0.000 4.817 -1.883) 5.172 3.068 ( 0.000 -1.746 -1.188) 2.112 3.175 ( 0.000 -1.383 3.010) 3.313 3.179 ( 0.000 16.427 2.592) 16.631 3.214 ( 0.000 6.460 5.145) 8.259 3.293 ( 0.000 2.835 -1.402) 3.163 3.302 ( 0.000 0.468 2.918) 2.956 3.328 ( 0.000 6.079 -6.501) 8.900 3.414 ( 0.000 -0.948 -2.279) 2.468 3.457 ( 0.000 5.371 2.261) 5.827 3.515 ( 0.000 0.809 1.098) 1.363 3.562 ( 0.000 1.074 0.445) 1.163 3.695 ( 0.000 -0.445 6.385) 6.401 3.798 ( 0.000 -2.493 6.413) 6.880 3.912 ( 0.000 -2.338 -3.839) 4.495 3.922 ( 0.000 14.823 2.801) 15.086 4.154 ( 0.000 -3.641 -1.065) 3.794 4.187 ( 0.000 -8.406 1.925) 8.623 4.199 ( 0.000 1.453 -1.154) 1.855 4.350 ( 0.000 -3.950 2.661) 4.763 4.375 ( 0.000 -0.407 -0.911) 0.998 4.587 ( 0.000 -5.974 -3.115) 6.737 4.698 ( 0.000 -3.650 5.733) 6.796 4.980 ( 0.000 -5.055 -4.203) 6.574 5.025 ( 0.000 0.839 2.323) 2.470 5.132 ( 0.000 -2.407 -2.083) 3.184 5.731 ( 0.000 -0.001 -1.378) 1.378 5.821 ( 0.000 -2.397 -4.338) 4.956 6.056 ( 0.000 -1.176 9.686) 9.757 6.205 ( 0.000 -5.969 2.462) 6.457 6.285 ( 0.000 -6.108 1.930) 6.406 6.371 ( 0.000 -6.258 5.398) 8.264 6.415 ( 0.000 -0.876 1.870) 2.065 6.599 ( 0.000 -1.152 9.553) 9.622 6.732 ( 0.000 -1.772 2.742) 3.265 6.820 ( 0.000 -3.587 12.713) 13.210 6.929 ( 0.000 -4.869 -9.864) 11.000 7.042 ( 0.000 -2.957 0.910) 3.094 7.263 ( 0.000 -3.693 -12.578) 13.109 7.512 ( 0.000 -1.082 -5.219) 5.330 7.684 ( 0.000 -0.399 6.247) 6.260 7.717 ( 0.000 0.921 7.276) 7.334 7.846 ( 0.000 -4.803 3.353) 5.858 8.009 ( 0.000 -0.675 -4.278) 4.331 8.160 ( 0.000 -1.098 5.534) 5.642 8.178 ( 0.000 0.479 -8.912) 8.925 8.208 ( 0.000 -14.602 -8.260) 16.776 8.423 ( 0.000 -5.253 5.329) 7.483 8.509 ( 0.000 3.713 -6.322) 7.332 8.563 ( 0.000 -0.484 -10.333) 10.344 8.609 ( 0.000 3.720 8.052) 8.870 8.704 ( 0.000 0.442 0.557) 0.711 8.768 ( 0.000 -0.597 -14.606) 14.618 9.090 ( 0.000 1.673 -1.976) 2.589 9.239 ( 0.000 -1.537 -2.225) 2.704 9.376 ( 0.000 0.416 -6.601) 6.614 9.576 ( 0.000 -0.050 -20.660) 20.660 9.609 ( 0.000 0.782 -17.710) 17.727 9.735 ( 0.000 -0.168 0.477) 0.505 9.750 ( 0.000 -2.199 -2.097) 3.039 9.901 ( 0.000 0.541 6.738) 6.760 10.154 ( 0.000 -2.646 -10.348) 10.681 10.191 ( 0.000 -4.246 7.327) 8.469 10.240 ( 0.000 -0.799 2.831) 2.942 10.384 ( 0.000 -1.358 20.961) 21.005 10.505 ( 0.000 -4.246 -6.527) 7.787 10.539 ( 0.000 2.001 -4.756) 5.159 10.696 ( 0.000 -5.056 0.167) 5.059 10.767 ( 0.000 -5.917 0.694) 5.958 10.935 ( 0.000 -5.727 4.900) 7.537 10.945 ( 0.000 -4.068 -5.816) 7.098 11.007 ( 0.000 -1.202 -3.631) 3.825 11.111 ( 0.000 -0.607 0.907) 1.092 11.200 ( 0.000 0.616 -3.045) 3.107 11.439 ( 0.000 1.900 4.623) 4.998 11.759 ( 0.000 -1.511 18.366) 18.429 11.819 ( 0.000 -2.666 23.192) 23.345 11.946 ( 0.000 -0.788 -6.295) 6.344 12.051 ( 0.000 0.109 6.610) 6.611 12.066 ( 0.000 0.259 8.478) 8.482 12.084 ( 0.000 0.128 6.114) 6.116 12.153 ( 0.000 -0.675 -3.534) 3.598 12.257 ( 0.000 1.751 3.328) 3.761 12.267 ( 0.000 -4.719 -8.556) 9.771 12.294 ( 0.000 1.485 -1.079) 1.836 12.394 ( 0.000 2.594 1.545) 3.019 12.706 ( 0.000 1.691 -6.845) 7.051 12.750 ( 0.000 1.989 -8.109) 8.349 12.770 ( 0.000 0.080 3.271) 3.272 12.852 ( 0.000 -2.365 -0.945) 2.546 12.853 ( 0.000 -0.792 4.825) 4.889 12.876 ( 0.000 2.115 7.572) 7.861 13.068 ( 0.000 -4.694 -5.590) 7.299 13.106 ( 0.000 -0.686 7.364) 7.396 13.137 ( 0.000 -2.325 -2.621) 3.504 13.244 ( 0.000 -3.574 -1.641) 3.933 13.539 ( 0.000 0.848 -8.463) 8.505 13.573 ( 0.000 1.108 -10.604) 10.661 13.664 ( 0.000 -0.616 7.016) 7.043 13.814 ( 0.000 1.412 14.378) 14.447 13.985 ( 0.000 3.158 4.568) 5.554 14.127 ( 0.000 0.106 -0.246) 0.268 14.361 ( 0.000 1.015 13.367) 13.406 14.440 ( 0.000 -0.311 -6.583) 6.591 14.731 ( 0.000 -0.102 12.357) 12.357 14.904 ( 0.000 3.846 -5.345) 6.585 15.119 ( 0.000 0.762 -20.014) 20.028 15.205 ( 0.000 -2.428 -8.010) 8.370 15.216 ( 0.000 -4.248 -9.454) 10.365 15.497 ( 0.000 3.495 -13.972) 14.402 15.648 ( 0.000 -1.112 5.473) 5.585 15.873 ( 0.000 -0.597 4.001) 4.045 15.875 ( 0.000 0.178 6.609) 6.611 15.993 ( 0.000 3.386 7.049) 7.820 16.186 ( 0.000 1.575 -14.190) 14.277 16.470 ( 0.000 0.768 -9.525) 9.555 16.644 ( 0.000 0.575 12.858) 12.871 16.997 ( 0.000 -0.353 -11.485) 11.490 17.078 ( 0.000 1.370 -6.227) 6.376 17.103 ( 0.000 -0.334 9.519) 9.525 17.187 ( 0.000 -2.010 -2.590) 3.279 17.339 ( 0.000 0.268 12.762) 12.764 17.623 ( 0.000 4.889 5.494) 7.354 17.832 ( 0.000 1.731 18.160) 18.242 17.836 ( 0.000 -0.567 -5.378) 5.408 17.889 ( 0.000 -1.154 6.683) 6.782 17.907 ( 0.000 -0.372 2.306) 2.336 17.962 ( 0.000 -1.049 -3.273) 3.437 18.082 ( 0.000 -0.902 -12.957) 12.989 18.136 ( 0.000 -0.600 -2.318) 2.395 18.344 ( 0.000 0.466 -1.095) 1.190 18.449 ( 0.000 -0.052 -10.216) 10.217 18.515 ( 0.000 1.780 -3.265) 3.719 18.548 ( 0.000 0.497 -2.921) 2.963 18.678 ( 0.000 0.343 -0.025) 0.343 18.718 ( 0.000 0.108 4.638) 4.639 18.906 ( 0.000 0.765 -3.812) 3.888 18.951 ( 0.000 0.042 -8.549) 8.549 19.287 ( 0.000 0.295 8.607) 8.612 19.351 ( 0.000 -0.385 9.030) 9.039 19.399 ( 0.000 0.357 7.652) 7.660 19.626 ( 0.000 1.120 -0.116) 1.126 19.814 ( 0.000 -0.404 14.717) 14.723 19.855 ( 0.000 0.103 10.830) 10.831 20.103 ( 0.000 -0.886 7.502) 7.554 20.437 ( 0.000 -0.958 -4.757) 4.853 20.477 ( 0.000 -0.784 -6.403) 6.451 20.554 ( 0.000 -1.293 -8.613) 8.710 20.614 ( 0.000 0.921 -6.911) 6.972 20.666 ( 0.000 -0.177 2.060) 2.068 20.809 ( 0.000 -0.715 10.375) 10.399 20.847 ( 0.000 -0.105 -12.003) 12.003 20.885 ( 0.000 -1.299 -5.879) 6.021 21.098 ( 0.000 0.680 9.837) 9.860 21.235 ( 0.000 -0.389 2.557) 2.586 21.283 ( 0.000 0.162 -2.574) 2.579 21.672 ( 0.000 -1.100 -11.001) 11.056 21.928 ( 0.000 -2.463 -9.838) 10.142 22.249 ( 0.000 0.141 7.833) 7.835 22.411 ( 0.000 1.312 -0.373) 1.364 22.425 ( 0.000 1.473 13.786) 13.864 22.540 ( 0.000 1.646 4.124) 4.441 22.834 ( 0.000 -1.442 -3.154) 3.468 22.836 ( 0.000 0.297 1.806) 1.830 22.999 ( 0.000 -0.856 17.843) 17.863 23.112 ( 0.000 2.298 2.153) 3.149 23.218 ( 0.000 0.884 -11.690) 11.723 23.497 ( 0.000 0.394 -6.929) 6.941 23.602 ( 0.000 0.495 -7.806) 7.822 23.694 ( 0.000 1.970 2.452) 3.145 23.850 ( 0.000 0.611 6.412) 6.441 23.883 ( 0.000 2.636 -6.357) 6.882 23.999 ( 0.000 0.460 -1.563) 1.629 24.148 ( 0.000 -0.686 -15.487) 15.502 24.182 ( 0.000 0.655 3.505) 3.566 24.233 ( 0.000 -0.098 0.961) 0.966 24.315 ( 0.000 -0.021 -3.218) 3.218 24.391 ( 0.000 0.041 1.873) 1.874 24.813 ( 0.000 -1.147 4.278) 4.429 24.909 ( 0.000 0.505 19.151) 19.157 24.955 ( 0.000 -0.201 11.308) 11.310 25.372 ( 0.000 1.422 -12.200) 12.283 25.530 ( 0.000 0.862 -17.752) 17.773 25.649 ( 0.000 0.414 1.950) 1.993 25.707 ( 0.000 -1.678 -1.662) 2.362 25.793 ( 0.000 -0.242 -20.044) 20.045 26.239 ( 0.000 -0.153 3.269) 3.273 26.288 ( 0.000 0.063 -0.281) 0.288 26.312 ( 0.000 -0.470 19.533) 19.538 27.103 ( 0.000 -2.307 -18.985) 19.124 27.358 ( 0.000 -2.172 7.708) 8.008 27.597 ( 0.000 -7.218 -2.677) 7.698 27.618 ( 0.000 -1.827 9.495) 9.669 27.731 ( 0.000 -5.629 1.725) 5.887 27.800 ( 0.000 -5.622 9.662) 11.179 27.850 ( 0.000 -0.918 -2.491) 2.655 28.262 ( 0.000 -7.889 2.021) 8.143 28.296 ( 0.000 -0.261 1.672) 1.692 28.415 ( 0.000 -0.996 -2.786) 2.958 28.484 ( 0.000 -4.450 -2.911) 5.317 28.848 ( 0.000 -0.469 10.676) 10.686 28.980 ( 0.000 -0.995 4.295) 4.408 29.360 ( 0.000 -2.031 -2.682) 3.364 29.399 ( 0.000 -2.595 -5.637) 6.206 29.532 ( 0.000 -0.491 -20.100) 20.106 29.627 ( 0.000 -3.374 -3.906) 5.161 30.267 ( 0.000 -1.277 13.364) 13.425 30.313 ( 0.000 -5.729 2.114) 6.106 30.418 ( 0.000 -5.487 -2.236) 5.926 30.536 ( 0.000 -1.620 1.346) 2.106 30.618 ( 0.000 -0.512 -1.056) 1.174 30.696 ( 0.000 -1.508 -7.780) 7.925 30.728 ( 0.000 -0.491 10.906) 10.917 30.893 ( 0.000 -2.328 4.774) 5.311 31.137 ( 0.000 -4.762 -1.887) 5.122 31.151 ( 0.000 -0.368 -4.730) 4.745 31.219 ( 0.000 -1.857 8.588) 8.786 31.382 ( 0.000 -2.045 -4.959) 5.364 31.476 ( 0.000 -4.979 -7.953) 9.383 31.759 ( 0.000 -1.392 -15.268) 15.331 31.810 ( 0.000 -2.841 7.058) 7.608 31.997 ( 0.000 -3.961 -2.534) 4.702 32.583 ( 0.000 -3.455 12.170) 12.651 32.655 ( 0.000 -1.988 18.355) 18.462 33.112 ( 0.000 -2.308 -6.044) 6.470 33.295 ( 0.000 -4.204 -9.843) 10.703 33.403 ( 0.000 -1.918 -7.738) 7.972 33.502 ( 0.000 -2.263 -8.111) 8.421 33.951 ( 0.000 -1.123 11.646) 11.700 34.285 ( 0.000 -5.683 0.553) 5.709 35.333 ( 0.000 -5.941 24.272) 24.989 36.566 ( 0.000 -25.053 -23.697) 34.485 ======================= Grid point 76 (32/54) ======================= q-point: ( 0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 3.014 11.337 2.811) 12.063 2.360 ( 6.685 8.437 3.894) 11.447 2.443 ( 4.025 0.948 -1.860) 4.534 2.605 ( -1.005 10.099 0.141) 10.150 2.695 ( -2.741 6.631 -4.107) 8.268 2.805 ( -8.465 4.050 1.712) 9.539 2.933 ( 0.691 4.089 -5.018) 6.510 3.006 ( 3.224 1.800 0.540) 3.732 3.062 ( 2.713 4.586 -0.036) 5.328 3.085 ( 2.856 -0.756 -4.275) 5.196 3.157 ( 0.211 4.851 -0.677) 4.902 3.209 ( 1.039 4.303 4.754) 6.496 3.245 ( 0.021 6.004 0.887) 6.069 3.281 ( 0.840 1.022 1.035) 1.679 3.332 ( 0.119 2.746 -0.940) 2.905 3.350 ( 1.897 0.601 2.807) 3.441 3.434 ( 4.226 4.034 -0.914) 5.913 3.461 ( -0.359 5.170 1.747) 5.469 3.516 ( 0.354 1.215 1.297) 1.813 3.571 ( 0.379 3.781 0.021) 3.800 3.675 ( 1.288 3.031 5.918) 6.773 3.831 ( 2.774 0.247 2.545) 3.773 3.916 ( 1.700 -5.136 -0.893) 5.484 4.024 ( 5.444 8.519 -1.173) 10.178 4.112 ( -3.326 -0.633 -0.356) 3.405 4.174 ( -1.282 -1.610 -1.347) 2.460 4.231 ( 3.751 -7.071 1.923) 8.231 4.349 ( -1.092 1.999 2.543) 3.414 4.380 ( -0.789 -1.965 1.673) 2.699 4.512 ( -9.283 -0.280 2.039) 9.509 4.637 ( -1.361 -6.991 -0.487) 7.139 4.759 ( -9.991 -0.357 -2.431) 10.288 5.193 ( 6.644 -3.656 -0.476) 7.599 5.247 ( 9.606 -3.659 -2.134) 10.499 5.613 ( -9.722 -0.364 1.325) 9.819 5.724 ( -8.681 -3.439 -2.468) 9.658 6.141 ( -2.938 -5.585 -2.254) 6.701 6.175 ( -2.319 -5.849 -1.753) 6.532 6.276 ( 10.794 -1.234 5.460) 12.159 6.502 ( 16.714 -2.405 13.773) 21.791 6.606 ( 13.643 -2.874 11.091) 17.816 6.638 ( -3.427 -4.892 -6.398) 8.752 6.724 ( 0.806 -4.274 11.488) 12.283 6.927 ( 3.763 -1.748 3.910) 5.701 6.960 ( 11.001 -1.872 0.400) 11.166 7.040 ( -2.155 -5.129 -1.133) 5.678 7.327 ( 1.297 0.162 -2.393) 2.727 7.430 ( -0.187 -1.363 -5.270) 5.447 7.516 ( -4.784 -3.219 -4.474) 7.299 7.864 ( -3.012 -1.970 -3.427) 4.970 7.875 ( 3.168 -2.285 3.650) 5.346 7.975 ( 0.828 -0.143 5.422) 5.486 7.990 ( -8.721 -3.886 -0.963) 9.596 8.063 ( -6.335 -8.018 -2.623) 10.550 8.291 ( -1.091 0.816 -5.641) 5.803 8.340 ( -6.155 -6.779 4.264) 10.100 8.462 ( -1.736 1.199 -0.707) 2.225 8.539 ( -1.560 3.133 -2.117) 4.090 8.603 ( 1.297 0.757 -8.502) 8.634 8.824 ( 5.978 1.621 -1.581) 6.392 8.949 ( -2.140 -1.908 2.855) 4.047 9.040 ( -4.429 0.317 -11.383) 12.218 9.128 ( -6.172 -0.987 -11.975) 13.508 9.162 ( -16.044 0.341 -8.773) 18.289 9.497 ( -2.796 -0.543 -2.016) 3.489 9.663 ( -3.221 -0.104 4.506) 5.540 9.760 ( 2.682 -1.333 -14.357) 14.666 9.780 ( -3.707 -1.344 1.666) 4.280 9.825 ( 1.717 -0.297 4.746) 5.056 9.968 ( 6.656 -1.509 0.296) 6.831 10.117 ( -7.252 -3.174 1.269) 8.017 10.228 ( -5.423 -2.415 -7.804) 9.805 10.273 ( -1.666 -1.105 -5.615) 5.961 10.428 ( -6.095 -1.476 -4.379) 7.648 10.531 ( -2.170 -1.319 7.449) 7.870 10.698 ( -6.755 -1.979 -4.102) 8.147 10.739 ( 0.745 -4.572 -4.091) 6.180 10.893 ( -2.381 -4.749 3.465) 6.342 11.055 ( 4.853 -1.251 0.234) 5.017 11.160 ( -1.754 0.350 0.498) 1.856 11.191 ( 15.429 -4.522 0.726) 16.094 11.292 ( 7.879 -1.477 -1.595) 8.173 11.374 ( -1.894 -0.584 7.081) 7.354 11.718 ( -6.825 -1.245 6.982) 9.843 11.850 ( 1.505 0.200 12.771) 12.861 11.939 ( 1.040 -0.911 4.334) 4.550 12.041 ( -1.570 0.544 12.708) 12.816 12.053 ( -0.426 2.310 6.793) 7.187 12.147 ( 4.186 -1.858 0.719) 4.636 12.215 ( 5.216 -2.716 1.415) 6.048 12.258 ( -1.005 -1.811 -1.403) 2.501 12.300 ( 3.327 -0.991 -3.881) 5.207 12.399 ( 3.107 2.853 1.776) 4.577 12.469 ( 8.704 3.700 -0.969) 9.507 12.597 ( -3.648 1.269 -1.881) 4.296 12.624 ( -7.692 0.575 -7.713) 10.908 12.725 ( -5.695 -2.004 -1.647) 6.258 12.795 ( 1.792 -0.698 2.497) 3.152 12.923 ( -5.423 -2.050 0.208) 5.801 12.951 ( 3.778 1.429 6.811) 7.919 13.104 ( 7.137 -1.170 1.672) 7.423 13.131 ( 2.502 -2.915 -0.640) 3.894 13.209 ( 5.524 0.076 -5.284) 7.644 13.366 ( 14.032 -2.179 6.566) 15.644 13.443 ( -2.924 1.078 -9.597) 10.091 13.657 ( 8.148 -0.604 3.229) 8.786 13.795 ( -0.701 -0.149 12.316) 12.337 13.871 ( 4.833 2.186 8.151) 9.725 14.073 ( 0.475 2.033 -4.843) 5.274 14.161 ( -12.628 -0.504 3.732) 13.178 14.274 ( 20.835 0.051 -4.805) 21.382 14.572 ( 6.997 -0.274 -0.247) 7.007 14.834 ( 8.097 -0.078 9.219) 12.270 14.872 ( -3.796 3.785 -6.774) 8.638 14.993 ( -4.200 -0.401 -11.003) 11.784 15.137 ( -5.591 -2.488 -6.284) 8.771 15.168 ( -2.874 -2.691 -3.684) 5.392 15.385 ( -10.292 2.192 -11.849) 15.847 15.664 ( -5.498 2.154 3.670) 6.953 15.751 ( -4.613 0.054 4.248) 6.271 15.907 ( -2.864 1.219 4.731) 5.663 15.949 ( 3.088 0.117 3.995) 5.051 16.163 ( -20.467 -0.028 9.108) 22.402 16.337 ( -5.040 0.892 -5.483) 7.501 16.654 ( -3.609 0.142 -3.900) 5.315 16.672 ( -1.423 0.629 -10.075) 10.195 16.974 ( -1.842 0.964 -9.697) 9.918 17.114 ( -6.051 -2.005 -10.351) 12.156 17.386 ( 6.921 1.084 7.702) 10.412 17.480 ( 9.389 -0.230 1.532) 9.516 17.657 ( -2.090 1.684 4.438) 5.186 17.744 ( -1.672 0.085 6.373) 6.589 17.843 ( -2.439 0.948 0.838) 2.747 17.889 ( -3.331 -0.390 -1.873) 3.841 17.931 ( 1.083 -0.949 -3.075) 3.395 17.998 ( -3.791 -1.718 -4.100) 5.843 18.098 ( 12.474 0.344 6.199) 13.934 18.159 ( 6.492 0.392 5.177) 8.313 18.402 ( 4.274 0.928 -2.536) 5.056 18.458 ( -0.167 1.524 -5.986) 6.180 18.504 ( -0.602 0.914 -1.611) 1.947 18.569 ( 0.548 0.271 -2.039) 2.129 18.658 ( -4.830 0.339 0.582) 4.877 18.677 ( -3.193 -0.588 1.373) 3.525 18.918 ( 3.465 0.619 0.456) 3.550 19.011 ( 4.333 0.036 -6.491) 7.805 19.314 ( 1.929 -0.499 10.790) 10.972 19.371 ( 1.006 -0.686 11.759) 11.822 19.534 ( 12.148 0.629 6.250) 13.676 19.733 ( 6.833 0.684 6.951) 9.771 19.925 ( 10.313 0.620 5.179) 11.557 19.945 ( 9.687 0.060 5.728) 11.254 20.085 ( -1.466 -0.341 5.392) 5.598 20.296 ( -11.416 -0.343 -10.108) 15.252 20.427 ( -6.480 0.171 -4.225) 7.738 20.462 ( 1.614 -1.378 -5.577) 5.967 20.655 ( -8.835 -0.963 4.041) 9.763 20.709 ( -5.557 0.096 1.146) 5.675 20.752 ( 0.316 -0.346 -0.525) 0.703 20.848 ( 0.825 -0.461 -7.221) 7.283 20.864 ( 3.480 -0.742 -3.034) 4.676 20.993 ( -8.846 -0.601 -2.977) 9.352 21.073 ( -3.847 -1.078 1.281) 4.195 21.232 ( -6.089 -0.021 -3.593) 7.070 21.897 ( 3.277 0.237 -3.265) 4.632 21.942 ( -0.565 -0.414 -1.809) 1.940 22.174 ( -2.208 1.107 8.379) 8.736 22.211 ( 3.022 -0.691 10.572) 11.017 22.590 ( 5.129 1.145 -2.269) 5.724 22.714 ( 12.390 1.232 0.211) 12.453 22.827 ( -1.165 -1.079 -4.994) 5.240 22.853 ( -0.672 -0.128 -2.398) 2.494 23.007 ( -8.371 0.975 11.495) 14.254 23.068 ( 8.362 0.701 8.913) 12.241 23.163 ( -4.317 1.076 -7.088) 8.368 23.497 ( -0.872 0.112 -6.500) 6.559 23.506 ( -8.642 0.505 -0.403) 8.666 23.644 ( -6.458 1.474 -2.252) 6.997 23.761 ( -11.622 -0.287 -0.450) 11.634 23.787 ( -7.684 0.724 1.866) 7.940 23.844 ( 0.480 2.260 -3.230) 3.971 24.019 ( -6.777 0.472 -12.727) 14.427 24.224 ( 10.408 1.174 5.386) 11.778 24.465 ( 5.274 1.844 0.754) 5.638 24.625 ( 17.530 0.160 4.288) 18.048 24.660 ( 23.946 -2.110 1.069) 24.062 24.783 ( 1.345 -0.591 2.744) 3.113 25.064 ( 17.570 -1.180 -1.606) 17.683 25.179 ( -6.915 -0.157 -6.306) 9.361 25.292 ( 21.699 -0.589 15.584) 26.722 25.487 ( -2.135 0.382 -15.443) 15.594 25.598 ( -1.173 0.101 0.096) 1.182 25.686 ( 0.096 -1.441 -0.984) 1.747 26.022 ( 5.984 -0.239 -7.394) 9.514 26.216 ( -7.912 -0.834 16.780) 18.571 26.283 ( -0.402 -0.059 -0.228) 0.466 26.388 ( 17.472 -0.626 -8.086) 19.263 26.855 ( -37.875 -4.953 4.648) 38.479 26.909 ( -29.811 -7.090 -11.339) 32.673 27.172 ( -21.712 -5.224 -10.618) 24.728 27.533 ( 3.587 -0.486 11.600) 12.152 27.806 ( -0.291 -3.989 14.859) 15.388 27.882 ( 4.822 -0.519 -3.381) 5.912 28.097 ( 7.111 -3.424 -0.943) 7.949 28.139 ( -9.926 -2.800 1.727) 10.456 28.228 ( -6.656 -1.892 -1.030) 6.996 28.445 ( 4.726 -2.878 8.362) 10.027 28.636 ( 14.533 -2.742 -4.481) 15.453 28.933 ( -3.706 -1.602 4.955) 6.391 28.965 ( 7.058 -1.259 0.539) 7.190 29.274 ( -5.706 -1.908 -7.322) 9.477 29.328 ( -8.321 -3.676 -7.769) 11.963 29.669 ( 7.538 -1.403 -2.326) 8.013 29.753 ( 14.067 -1.497 -8.103) 16.303 30.248 ( -1.166 -2.202 9.554) 9.874 30.371 ( 4.714 -3.968 4.916) 7.882 30.412 ( -1.174 -4.409 -1.708) 4.872 30.544 ( -1.934 -0.813 0.264) 2.114 30.592 ( -0.679 -1.949 1.339) 2.460 30.609 ( 0.134 -1.309 -0.428) 1.384 30.817 ( -5.329 -1.970 3.412) 6.627 30.936 ( 9.419 -1.327 0.144) 9.513 31.001 ( -10.076 -4.187 -5.298) 12.129 31.202 ( 3.467 -1.016 -4.883) 6.074 31.257 ( 5.533 -2.642 7.655) 9.808 31.368 ( -2.187 -2.334 -2.081) 3.816 31.518 ( 1.600 -4.516 -5.261) 7.116 31.689 ( -5.250 -3.366 -7.206) 9.530 31.857 ( 3.498 -3.214 4.477) 6.528 32.036 ( 2.289 -1.369 -4.287) 5.049 32.353 ( -8.922 -3.743 10.995) 14.646 32.774 ( -15.919 -1.554 -2.959) 16.266 32.903 ( 3.009 -3.884 5.762) 7.573 33.141 ( -3.490 -1.767 1.650) 4.246 33.540 ( 4.428 -0.788 -8.007) 9.184 33.647 ( 4.997 -3.610 -16.011) 17.157 34.085 ( 12.762 -2.269 16.540) 21.014 34.450 ( 10.776 -8.854 10.118) 17.230 35.359 ( 7.258 -5.490 11.237) 14.460 36.327 ( -23.080 -21.044 -21.013) 37.644 ======================= Grid point 77 (33/54) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 11.135 -2.958) 11.521 2.430 ( 0.000 2.942 -4.064) 5.017 2.496 ( 0.000 9.913 1.210) 9.986 2.558 ( -0.000 8.832 2.383) 9.148 2.675 ( 0.000 5.264 -0.432) 5.281 2.708 ( -0.000 1.982 2.944) 3.549 2.959 ( 0.000 4.593 -4.578) 6.485 3.034 ( 0.000 2.376 2.673) 3.576 3.038 ( -0.000 2.840 -6.609) 7.193 3.126 ( 0.000 1.512 -1.962) 2.477 3.199 ( -0.000 3.200 4.232) 5.306 3.207 ( 0.000 4.688 2.684) 5.402 3.292 ( 0.000 1.209 -1.367) 1.825 3.296 ( 0.000 -1.200 3.251) 3.465 3.323 ( -0.000 1.798 0.323) 1.827 3.328 ( 0.000 -1.084 0.725) 1.304 3.463 ( 0.000 6.621 1.656) 6.825 3.489 ( 0.000 6.973 1.914) 7.231 3.526 ( 0.000 3.831 1.391) 4.076 3.581 ( 0.000 3.575 2.659) 4.455 3.742 ( 0.000 3.602 -0.383) 3.622 3.869 ( 0.000 1.600 1.313) 2.070 3.910 ( 0.000 -2.393 -1.532) 2.841 4.039 ( 0.000 -5.840 -0.234) 5.845 4.134 ( 0.000 -3.228 -1.401) 3.519 4.163 ( -0.000 13.320 -2.545) 13.561 4.297 ( 0.000 1.684 4.691) 4.984 4.306 ( -0.000 -6.437 5.347) 8.368 4.343 ( 0.000 0.948 3.881) 3.995 4.374 ( -0.000 -3.620 5.331) 6.444 4.640 ( 0.000 -3.343 -6.137) 6.989 4.661 ( 0.000 -0.508 -5.219) 5.243 5.286 ( 0.000 -1.227 -2.012) 2.357 5.387 ( 0.000 -3.979 -4.097) 5.711 5.484 ( -0.000 -3.460 4.617) 5.769 5.568 ( -0.000 -5.090 2.641) 5.735 6.119 ( 0.000 -5.777 -5.674) 8.097 6.141 ( 0.000 -5.855 -5.526) 8.051 6.433 ( -0.000 -1.533 3.297) 3.636 6.513 ( 0.000 -4.711 3.830) 6.071 6.707 ( 0.000 -2.038 14.205) 14.351 6.745 ( 0.000 -3.544 14.195) 14.631 6.848 ( -0.000 0.542 -2.045) 2.116 7.020 ( 0.000 -1.984 -4.521) 4.937 7.065 ( 0.000 -6.335 3.083) 7.045 7.125 ( -0.000 -2.871 0.508) 2.915 7.295 ( 0.000 -2.761 1.745) 3.266 7.386 ( 0.000 -1.683 -2.024) 2.632 7.583 ( 0.000 -1.546 7.350) 7.511 7.695 ( 0.000 -3.595 -0.562) 3.639 7.834 ( -0.000 -3.431 -4.634) 5.766 7.892 ( 0.000 0.579 -1.502) 1.610 8.026 ( -0.000 -8.056 -2.040) 8.310 8.074 ( 0.000 -4.416 -1.902) 4.809 8.170 ( -0.000 0.363 -0.959) 1.026 8.320 ( 0.000 -3.065 5.906) 6.654 8.472 ( 0.000 0.273 1.929) 1.948 8.487 ( -0.000 -0.069 11.592) 11.592 8.568 ( 0.000 2.209 -3.919) 4.499 8.653 ( -0.000 0.335 -9.303) 9.309 8.891 ( -0.000 0.398 -4.773) 4.789 8.897 ( 0.000 0.892 -7.617) 7.669 9.141 ( -0.000 -0.299 -13.506) 13.510 9.251 ( 0.000 -2.604 -14.041) 14.281 9.444 ( 0.000 0.696 -0.131) 0.709 9.566 ( 0.000 -0.470 -3.094) 3.130 9.788 ( 0.000 0.769 0.463) 0.897 9.835 ( 0.000 -0.628 -3.545) 3.600 9.882 ( -0.000 -0.555 0.984) 1.130 9.937 ( -0.000 -3.761 -2.778) 4.676 10.086 ( 0.000 -1.071 -13.919) 13.960 10.088 ( -0.000 -0.962 -9.979) 10.026 10.342 ( -0.000 -2.772 2.832) 3.962 10.423 ( -0.000 -4.307 5.387) 6.897 10.517 ( 0.000 -0.138 5.820) 5.822 10.558 ( -0.000 -1.286 3.885) 4.092 10.801 ( 0.000 -4.718 -4.178) 6.302 10.828 ( -0.000 -5.345 -4.769) 7.163 11.047 ( -0.000 0.353 3.761) 3.777 11.171 ( -0.000 -1.581 -1.603) 2.251 11.325 ( -0.000 0.195 0.442) 0.483 11.364 ( 0.000 -1.655 9.142) 9.291 11.475 ( 0.000 -1.433 -4.929) 5.133 11.542 ( -0.000 -3.957 -2.163) 4.509 11.879 ( 0.000 3.063 3.609) 4.734 11.997 ( -0.000 0.311 16.999) 17.002 12.006 ( -0.000 1.629 5.533) 5.768 12.022 ( 0.000 -0.600 13.762) 13.775 12.179 ( 0.000 -0.914 2.285) 2.461 12.215 ( -0.000 -2.101 6.259) 6.603 12.291 ( 0.000 -1.150 -2.316) 2.586 12.392 ( 0.000 -1.382 1.844) 2.305 12.402 ( -0.000 1.984 -2.346) 3.072 12.494 ( -0.000 -0.904 -2.173) 2.354 12.570 ( 0.000 0.420 -0.772) 0.879 12.575 ( -0.000 -0.106 -6.441) 6.442 12.667 ( 0.000 0.420 -2.525) 2.559 12.794 ( 0.000 -1.787 -4.728) 5.054 12.951 ( 0.000 -0.417 5.190) 5.206 12.972 ( -0.000 -0.869 6.767) 6.823 13.191 ( -0.000 4.545 -2.757) 5.316 13.229 ( -0.000 -0.309 -1.796) 1.823 13.264 ( 0.000 1.264 -3.549) 3.767 13.337 ( 0.000 -2.760 -5.007) 5.717 13.635 ( 0.000 -0.443 12.152) 12.160 13.674 ( -0.000 -1.576 8.284) 8.432 13.805 ( -0.000 1.793 0.777) 1.954 13.920 ( 0.000 0.100 0.366) 0.380 13.991 ( 0.000 -0.582 4.297) 4.337 14.062 ( 0.000 -1.039 4.673) 4.787 14.609 ( 0.000 1.176 -6.323) 6.431 14.662 ( -0.000 2.321 -2.844) 3.670 14.731 ( -0.000 -1.268 -13.737) 13.796 14.922 ( -0.000 -1.891 -9.857) 10.037 14.998 ( 0.000 1.599 -0.979) 1.875 15.138 ( 0.000 -0.934 -8.054) 8.108 15.216 ( -0.000 1.259 1.273) 1.790 15.264 ( 0.000 -0.637 -2.752) 2.825 15.462 ( 0.000 1.808 16.579) 16.678 15.585 ( 0.000 -1.710 14.113) 14.216 15.898 ( 0.000 0.397 8.508) 8.518 15.924 ( -0.000 -0.232 4.874) 4.880 16.098 ( -0.000 1.815 -1.932) 2.651 16.102 ( 0.000 1.121 1.210) 1.649 16.687 ( 0.000 -0.303 -15.191) 15.194 16.692 ( -0.000 0.024 -16.048) 16.048 16.998 ( 0.000 -0.018 -11.504) 11.504 17.001 ( -0.000 0.011 -13.852) 13.852 17.477 ( -0.000 2.154 2.297) 3.149 17.598 ( -0.000 -0.986 3.795) 3.921 17.622 ( -0.000 0.516 5.529) 5.553 17.675 ( 0.000 -0.661 5.345) 5.385 17.812 ( -0.000 -0.069 -0.006) 0.069 17.813 ( 0.000 -0.808 -2.505) 2.632 17.914 ( 0.000 0.368 -5.147) 5.160 17.991 ( 0.000 -2.180 -3.294) 3.950 18.294 ( 0.000 1.527 6.043) 6.233 18.320 ( -0.000 1.027 5.985) 6.072 18.432 ( -0.000 2.785 -2.397) 3.674 18.454 ( 0.000 2.186 5.905) 6.296 18.489 ( -0.000 -0.336 -2.740) 2.761 18.535 ( 0.000 -0.685 2.523) 2.614 18.554 ( 0.000 0.069 -0.064) 0.094 18.647 ( 0.000 -1.254 -2.516) 2.811 18.992 ( 0.000 1.361 -1.319) 1.895 19.053 ( 0.000 -0.454 -1.863) 1.917 19.341 ( -0.000 -0.809 14.631) 14.653 19.373 ( 0.000 -1.312 13.860) 13.922 19.741 ( -0.000 0.412 6.124) 6.138 19.748 ( 0.000 0.318 6.070) 6.079 20.053 ( 0.000 0.483 4.748) 4.772 20.081 ( -0.000 -0.250 5.929) 5.934 20.171 ( -0.000 1.741 -3.511) 3.918 20.199 ( 0.000 1.233 -4.083) 4.265 20.342 ( 0.000 -0.366 -7.017) 7.026 20.376 ( -0.000 -1.027 -8.474) 8.536 20.514 ( -0.000 -1.666 -3.653) 4.015 20.526 ( 0.000 -2.360 -3.465) 4.192 20.849 ( 0.000 -0.094 2.677) 2.679 20.855 ( -0.000 -0.375 3.412) 3.432 20.939 ( 0.000 0.520 -3.099) 3.142 20.987 ( -0.000 -1.767 -3.699) 4.100 21.042 ( -0.000 -0.410 -3.893) 3.915 21.051 ( 0.000 0.156 -2.170) 2.175 21.814 ( -0.000 1.061 7.207) 7.285 21.870 ( 0.000 -0.483 7.189) 7.205 22.307 ( -0.000 0.703 1.429) 1.593 22.344 ( 0.000 -0.397 1.556) 1.606 22.655 ( 0.000 1.427 -5.441) 5.625 22.666 ( -0.000 1.115 -5.371) 5.486 22.858 ( -0.000 -0.704 0.932) 1.168 22.860 ( 0.000 -0.837 0.243) 0.871 23.025 ( 0.000 0.792 0.923) 1.216 23.032 ( -0.000 0.853 3.071) 3.187 23.292 ( -0.000 0.776 3.929) 4.005 23.294 ( 0.000 0.528 5.598) 5.623 23.498 ( -0.000 0.312 -5.275) 5.284 23.506 ( 0.000 0.067 -6.166) 6.167 23.679 ( 0.000 0.850 1.625) 1.834 23.684 ( -0.000 1.037 2.612) 2.810 23.894 ( -0.000 1.489 -7.368) 7.517 23.915 ( 0.000 1.060 -7.681) 7.754 24.402 ( 0.000 2.469 6.748) 7.186 24.436 ( -0.000 1.507 5.370) 5.578 24.860 ( 0.000 2.115 -0.817) 2.268 24.884 ( -0.000 1.917 -2.168) 2.894 24.915 ( -0.000 -2.238 -5.952) 6.358 24.954 ( 0.000 -3.070 -7.281) 7.901 25.446 ( -0.000 -0.749 5.809) 5.857 25.496 ( 0.000 -1.644 4.468) 4.761 25.617 ( 0.000 -0.620 -3.141) 3.201 25.710 ( 0.000 -5.001 -4.273) 6.579 25.846 ( -0.000 -0.433 8.215) 8.226 25.890 ( 0.000 -1.452 7.067) 7.214 26.146 ( -0.000 -5.005 3.704) 6.226 26.210 ( 0.000 -8.573 1.571) 8.716 26.290 ( -0.000 -0.156 -0.092) 0.181 26.337 ( 0.000 -1.633 2.298) 2.819 26.818 ( -0.000 -1.780 -17.944) 18.032 26.830 ( 0.000 -1.793 -20.664) 20.742 27.628 ( -0.000 0.340 15.780) 15.784 27.740 ( 0.000 -3.153 16.985) 17.275 27.992 ( -0.000 -0.041 -1.635) 1.636 28.006 ( 0.000 -0.648 1.127) 1.300 28.104 ( 0.000 -4.410 -1.351) 4.612 28.107 ( -0.000 -4.739 -1.605) 5.004 28.667 ( -0.000 -0.817 5.195) 5.258 28.679 ( 0.000 -1.144 4.436) 4.582 28.988 ( -0.000 -3.114 -5.756) 6.544 28.995 ( 0.000 -3.534 -5.009) 6.130 29.175 ( -0.000 -1.655 -4.839) 5.115 29.207 ( 0.000 -2.381 -4.972) 5.513 29.838 ( 0.000 -0.750 0.006) 0.750 29.853 ( -0.000 -1.280 0.275) 1.309 30.306 ( 0.000 -3.061 -0.656) 3.131 30.336 ( -0.000 -4.687 -1.093) 4.813 30.443 ( 0.000 -0.026 6.443) 6.443 30.473 ( -0.000 -1.260 5.533) 5.675 30.629 ( 0.000 -1.516 -1.222) 1.947 30.654 ( 0.000 -2.155 -2.172) 3.060 30.763 ( 0.000 -3.826 -1.040) 3.965 30.770 ( -0.000 -4.050 -0.356) 4.066 31.145 ( -0.000 -1.240 -4.584) 4.748 31.194 ( 0.000 -2.071 -5.400) 5.784 31.337 ( -0.000 -1.637 3.068) 3.477 31.344 ( 0.000 -1.749 4.780) 5.090 31.520 ( 0.000 -4.199 -3.961) 5.772 31.611 ( 0.000 -6.751 -2.829) 7.319 31.924 ( -0.000 -1.187 3.071) 3.292 32.013 ( 0.000 -2.207 3.197) 3.885 32.370 ( -0.000 -2.262 -2.653) 3.487 32.462 ( 0.000 -3.447 -2.255) 4.119 33.024 ( 0.000 -1.513 4.519) 4.766 33.066 ( -0.000 -3.120 4.917) 5.823 33.598 ( 0.000 -0.470 -10.154) 10.165 33.667 ( 0.000 -3.068 -14.778) 15.093 34.307 ( 0.000 -3.248 23.064) 23.292 34.484 ( -0.000 -10.009 20.623) 22.923 35.727 ( 0.000 -10.334 -13.294) 16.838 35.801 ( -0.000 -13.551 -11.474) 17.756 ======================= Grid point 80 (34/54) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 0.000 1.895 1.289) 2.292 2.387 ( 0.000 6.945 4.765) 8.423 2.444 ( 0.000 4.342 0.390) 4.359 2.680 ( 0.000 -2.476 -9.806) 10.114 2.847 ( 0.000 6.163 -1.778) 6.414 2.902 ( 0.000 -0.524 4.364) 4.395 2.958 ( 0.000 -0.755 -5.556) 5.607 2.965 ( 0.000 -0.937 -0.440) 1.035 3.007 ( 0.000 -2.372 -0.825) 2.511 3.056 ( 0.000 -0.663 -2.199) 2.297 3.269 ( 0.000 3.693 -0.594) 3.740 3.276 ( 0.000 1.562 11.905) 12.007 3.311 ( 0.000 1.755 -0.464) 1.815 3.359 ( 0.000 1.025 2.787) 2.969 3.391 ( 0.000 2.190 -1.609) 2.718 3.444 ( 0.000 8.384 0.366) 8.392 3.454 ( 0.000 2.507 -3.102) 3.988 3.528 ( 0.000 1.379 0.434) 1.446 3.533 ( 0.000 0.309 0.983) 1.031 3.567 ( 0.000 0.242 2.260) 2.273 3.684 ( 0.000 -0.218 4.036) 4.041 3.765 ( 0.000 0.828 4.892) 4.962 3.854 ( 0.000 -3.521 1.611) 3.872 4.018 ( 0.000 -4.911 0.229) 4.917 4.058 ( 0.000 -2.451 1.225) 2.740 4.197 ( 0.000 5.576 2.364) 6.057 4.290 ( 0.000 -0.804 4.233) 4.309 4.294 ( 0.000 3.798 -5.220) 6.455 4.429 ( 0.000 3.081 -3.163) 4.416 4.479 ( 0.000 -2.229 -1.801) 2.866 4.646 ( 0.000 -1.866 5.326) 5.643 4.891 ( 0.000 -3.075 -3.290) 4.503 5.021 ( 0.000 -0.847 1.522) 1.742 5.089 ( 0.000 -1.287 -1.377) 1.885 5.746 ( 0.000 1.425 -2.203) 2.623 5.781 ( 0.000 -1.791 -3.216) 3.681 6.043 ( 0.000 -0.251 8.985) 8.989 6.112 ( 0.000 -2.909 -1.869) 3.458 6.162 ( 0.000 -3.980 -3.180) 5.095 6.317 ( 0.000 -0.772 10.154) 10.183 6.395 ( 0.000 -0.764 7.116) 7.156 6.586 ( 0.000 -0.282 5.326) 5.333 6.703 ( 0.000 -0.892 3.361) 3.477 6.775 ( 0.000 -0.900 12.319) 12.352 6.862 ( 0.000 -1.892 -8.354) 8.565 7.000 ( 0.000 -1.141 0.401) 1.210 7.176 ( 0.000 -3.805 -13.675) 14.194 7.483 ( 0.000 -1.122 -7.338) 7.423 7.689 ( 0.000 0.961 7.042) 7.107 7.742 ( 0.000 0.987 9.288) 9.340 7.755 ( 0.000 -3.046 -1.802) 3.539 7.868 ( 0.000 -8.767 2.938) 9.246 8.045 ( 0.000 -1.314 -3.631) 3.862 8.181 ( 0.000 1.477 4.551) 4.785 8.183 ( 0.000 0.095 -8.236) 8.237 8.350 ( 0.000 -2.220 1.868) 2.902 8.555 ( 0.000 -0.277 -10.564) 10.567 8.570 ( 0.000 1.601 3.687) 4.020 8.673 ( 0.000 2.050 4.648) 5.080 8.705 ( 0.000 -0.168 -4.725) 4.728 8.761 ( 0.000 -0.152 -15.143) 15.144 9.115 ( 0.000 0.685 -2.586) 2.675 9.217 ( 0.000 -0.619 -2.043) 2.134 9.383 ( 0.000 0.195 -4.733) 4.737 9.575 ( 0.000 -0.005 -20.580) 20.580 9.622 ( 0.000 0.437 -16.295) 16.301 9.717 ( 0.000 -0.929 -3.254) 3.384 9.733 ( 0.000 -0.056 1.624) 1.625 9.919 ( 0.000 0.784 4.024) 4.099 10.121 ( 0.000 -0.864 -1.887) 2.076 10.129 ( 0.000 -1.667 1.139) 2.019 10.228 ( 0.000 -0.356 2.406) 2.432 10.365 ( 0.000 -0.515 22.842) 22.848 10.450 ( 0.000 -1.379 -8.680) 8.789 10.589 ( 0.000 3.014 -2.821) 4.128 10.621 ( 0.000 -2.105 1.482) 2.574 10.662 ( 0.000 -4.463 -2.750) 5.242 10.850 ( 0.000 -2.311 1.262) 2.633 10.886 ( 0.000 -1.624 -5.301) 5.544 10.996 ( 0.000 -0.173 -0.514) 0.542 11.105 ( 0.000 -0.102 0.665) 0.673 11.210 ( 0.000 0.299 -3.664) 3.676 11.467 ( 0.000 0.744 3.797) 3.870 11.736 ( 0.000 -0.662 14.668) 14.683 11.784 ( 0.000 -0.867 23.111) 23.127 11.958 ( 0.000 1.334 -0.394) 1.391 12.053 ( 0.000 -0.222 0.575) 0.616 12.065 ( 0.000 -0.114 11.284) 11.284 12.087 ( 0.000 0.066 2.828) 2.829 12.145 ( 0.000 -0.120 -3.166) 3.168 12.182 ( 0.000 -2.792 -7.430) 7.938 12.273 ( 0.000 0.228 1.933) 1.946 12.314 ( 0.000 0.476 -0.503) 0.693 12.452 ( 0.000 2.132 8.198) 8.471 12.720 ( 0.000 -0.129 -13.742) 13.743 12.759 ( 0.000 -0.701 3.239) 3.314 12.778 ( 0.000 0.960 -1.095) 1.456 12.821 ( 0.000 -1.353 -8.390) 8.499 12.840 ( 0.000 0.513 6.476) 6.497 12.915 ( 0.000 0.966 10.854) 10.897 13.003 ( 0.000 -1.696 -5.339) 5.602 13.096 ( 0.000 -1.350 -3.038) 3.324 13.107 ( 0.000 0.306 8.852) 8.857 13.185 ( 0.000 -1.866 -0.397) 1.908 13.541 ( 0.000 -0.089 -11.984) 11.984 13.601 ( 0.000 0.927 -7.208) 7.267 13.651 ( 0.000 -0.398 7.863) 7.873 13.842 ( 0.000 0.911 12.731) 12.763 14.035 ( 0.000 1.634 13.641) 13.738 14.121 ( 0.000 -0.476 -8.798) 8.810 14.375 ( 0.000 0.366 13.553) 13.558 14.437 ( 0.000 -0.053 -8.566) 8.566 14.728 ( 0.000 -0.128 11.751) 11.751 14.987 ( 0.000 3.974 -14.016) 14.569 15.128 ( 0.000 -4.099 -0.643) 4.150 15.129 ( 0.000 0.274 -19.774) 19.775 15.171 ( 0.000 -0.919 -7.198) 7.256 15.544 ( 0.000 1.218 -15.720) 15.767 15.632 ( 0.000 -0.405 6.221) 6.235 15.861 ( 0.000 -0.357 2.818) 2.841 15.872 ( 0.000 -0.172 6.986) 6.988 16.044 ( 0.000 1.385 6.935) 7.072 16.209 ( 0.000 0.625 -13.290) 13.305 16.477 ( 0.000 0.100 -6.766) 6.766 16.654 ( 0.000 0.283 11.583) 11.587 16.992 ( 0.000 -0.158 -12.457) 12.458 17.095 ( 0.000 -0.327 2.707) 2.727 17.097 ( 0.000 0.502 -6.853) 6.871 17.162 ( 0.000 -0.573 4.007) 4.048 17.342 ( 0.000 0.088 11.113) 11.114 17.715 ( 0.000 4.174 3.607) 5.516 17.807 ( 0.000 -2.576 7.660) 8.082 17.858 ( 0.000 0.720 18.026) 18.041 17.863 ( 0.000 -0.750 -3.848) 3.921 17.902 ( 0.000 -0.108 2.587) 2.590 17.951 ( 0.000 -0.164 -2.247) 2.253 18.067 ( 0.000 -0.486 -14.893) 14.901 18.127 ( 0.000 -0.210 -2.815) 2.823 18.351 ( 0.000 0.188 -0.766) 0.789 18.448 ( 0.000 -0.041 -10.334) 10.334 18.538 ( 0.000 0.624 -3.330) 3.388 18.554 ( 0.000 0.112 -2.497) 2.499 18.684 ( 0.000 0.147 0.033) 0.151 18.721 ( 0.000 0.096 4.964) 4.965 18.917 ( 0.000 0.287 -3.861) 3.872 18.952 ( 0.000 0.034 -8.216) 8.216 19.292 ( 0.000 0.143 9.890) 9.891 19.345 ( 0.000 -0.162 9.143) 9.144 19.403 ( 0.000 0.073 8.486) 8.486 19.640 ( 0.000 0.317 -0.709) 0.776 19.809 ( 0.000 -0.116 14.109) 14.109 19.856 ( 0.000 0.034 11.014) 11.014 20.093 ( 0.000 -0.190 6.155) 6.158 20.424 ( 0.000 -0.299 -4.544) 4.554 20.463 ( 0.000 -0.418 -5.697) 5.712 20.534 ( 0.000 -0.576 -9.996) 10.013 20.627 ( 0.000 0.353 -7.325) 7.333 20.666 ( 0.000 0.067 2.746) 2.747 20.809 ( 0.000 0.446 8.496) 8.508 20.845 ( 0.000 -0.038 -12.250) 12.250 20.860 ( 0.000 -1.003 -5.064) 5.163 21.108 ( 0.000 0.263 9.540) 9.544 21.229 ( 0.000 -0.163 3.153) 3.157 21.286 ( 0.000 0.071 -4.943) 4.944 21.658 ( 0.000 -0.303 -10.381) 10.386 21.900 ( 0.000 -0.631 -9.002) 9.024 22.251 ( 0.000 0.043 7.577) 7.577 22.428 ( 0.000 0.464 -0.772) 0.901 22.447 ( 0.000 0.597 13.014) 13.028 22.564 ( 0.000 0.634 4.101) 4.150 22.816 ( 0.000 -0.415 -2.133) 2.173 22.841 ( 0.000 0.139 0.658) 0.672 22.988 ( 0.000 -0.239 20.083) 20.084 23.149 ( 0.000 1.110 2.684) 2.904 23.231 ( 0.000 0.340 -13.881) 13.885 23.503 ( 0.000 0.170 -7.113) 7.115 23.611 ( 0.000 0.328 -8.251) 8.257 23.722 ( 0.000 0.782 2.607) 2.722 23.860 ( 0.000 0.283 6.574) 6.580 23.919 ( 0.000 0.934 -6.806) 6.870 24.006 ( 0.000 0.206 -1.221) 1.238 24.128 ( 0.000 -0.641 -20.244) 20.254 24.212 ( 0.000 1.188 6.061) 6.176 24.232 ( 0.000 -0.027 0.914) 0.914 24.315 ( 0.000 0.012 -3.235) 3.236 24.388 ( 0.000 -0.233 1.556) 1.573 24.799 ( 0.000 -0.298 6.745) 6.751 24.916 ( 0.000 0.195 18.917) 18.918 24.957 ( 0.000 0.161 12.087) 12.088 25.393 ( 0.000 0.606 -12.005) 12.020 25.544 ( 0.000 0.436 -18.279) 18.284 25.659 ( 0.000 0.618 1.617) 1.731 25.678 ( 0.000 -1.177 0.029) 1.177 25.789 ( 0.000 -0.095 -19.728) 19.728 26.237 ( 0.000 -0.056 3.446) 3.446 26.289 ( 0.000 0.023 -0.301) 0.302 26.306 ( 0.000 -0.162 18.887) 18.888 27.070 ( 0.000 -0.919 -18.361) 18.384 27.325 ( 0.000 -0.972 6.136) 6.213 27.490 ( 0.000 -2.951 -1.802) 3.458 27.595 ( 0.000 -0.530 7.764) 7.782 27.666 ( 0.000 -1.396 2.769) 3.101 27.726 ( 0.000 -1.872 10.334) 10.502 27.840 ( 0.000 -0.213 -3.428) 3.435 28.154 ( 0.000 -2.833 3.495) 4.499 28.293 ( 0.000 -0.069 1.597) 1.599 28.401 ( 0.000 -0.365 -2.548) 2.574 28.422 ( 0.000 -1.623 -3.464) 3.825 28.842 ( 0.000 -0.174 10.865) 10.866 28.967 ( 0.000 -0.335 3.840) 3.855 29.340 ( 0.000 -0.149 0.049) 0.156 29.357 ( 0.000 -1.476 -8.345) 8.475 29.525 ( 0.000 -0.173 -19.821) 19.822 29.586 ( 0.000 -0.941 -4.531) 4.628 30.239 ( 0.000 -1.777 1.239) 2.167 30.250 ( 0.000 -0.485 13.882) 13.890 30.343 ( 0.000 -1.987 -2.547) 3.231 30.515 ( 0.000 -0.518 1.778) 1.852 30.612 ( 0.000 -0.159 -0.954) 0.967 30.676 ( 0.000 -0.513 -8.821) 8.836 30.721 ( 0.000 -0.171 10.754) 10.755 30.862 ( 0.000 -0.771 4.771) 4.833 31.072 ( 0.000 -1.715 -1.025) 1.998 31.143 ( 0.000 -0.293 -4.976) 4.984 31.197 ( 0.000 -0.528 9.055) 9.070 31.360 ( 0.000 -0.315 -5.205) 5.215 31.407 ( 0.000 -1.983 -7.354) 7.616 31.739 ( 0.000 -0.590 -14.817) 14.829 31.769 ( 0.000 -1.098 7.579) 7.658 31.950 ( 0.000 -1.056 -1.868) 2.146 32.535 ( 0.000 -1.283 11.343) 11.416 32.620 ( 0.000 -1.103 17.303) 17.338 33.074 ( 0.000 -1.178 -8.238) 8.322 33.223 ( 0.000 -2.227 -9.228) 9.493 33.371 ( 0.000 -0.984 -6.141) 6.219 33.469 ( 0.000 -0.928 -6.551) 6.616 33.929 ( 0.000 -0.731 10.532) 10.557 34.193 ( 0.000 -2.747 2.278) 3.569 35.237 ( 0.000 -2.844 18.872) 19.085 36.209 ( 0.000 -9.667 -18.333) 20.726 ======================= Grid point 81 (35/54) ======================= q-point: ( 0.25 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 3.414 6.877 -0.157) 7.679 2.458 ( 2.607 2.822 0.228) 3.848 2.482 ( 4.893 2.236 1.970) 5.729 2.647 ( -1.962 -3.109 -7.681) 8.515 2.821 ( -1.734 6.163 -0.397) 6.415 2.904 ( -2.460 4.355 3.451) 6.077 2.931 ( -0.602 -3.467 -4.002) 5.329 3.003 ( -0.120 -4.755 0.523) 4.785 3.037 ( 3.230 1.641 -0.552) 3.665 3.083 ( 2.552 -1.040 -1.972) 3.388 3.248 ( -0.061 1.155 6.378) 6.482 3.283 ( -0.684 2.282 -0.194) 2.390 3.312 ( -0.651 2.282 2.420) 3.389 3.351 ( -0.157 2.884 2.545) 3.849 3.361 ( -1.329 1.090 0.934) 1.956 3.425 ( -2.096 4.669 1.249) 5.268 3.535 ( 4.547 4.169 -1.166) 6.279 3.547 ( 3.369 2.043 0.495) 3.971 3.566 ( 3.214 3.056 -0.077) 4.436 3.630 ( 3.283 2.799 -0.206) 4.319 3.680 ( 2.202 -0.822 1.020) 2.562 3.803 ( 1.544 -3.594 1.849) 4.327 3.843 ( 3.940 -2.055 3.100) 5.418 3.996 ( -2.850 -3.021 -0.237) 4.160 4.104 ( 5.466 -2.825 1.794) 6.409 4.157 ( -8.327 0.942 -3.030) 8.911 4.299 ( 6.879 5.383 1.012) 8.793 4.329 ( -1.483 0.249 6.158) 6.339 4.447 ( 0.362 3.162 -3.035) 4.398 4.487 ( -12.979 -2.334 5.077) 14.131 4.532 ( 4.339 -1.666 -2.990) 5.527 4.748 ( -8.352 -0.687 -4.506) 9.515 5.128 ( 8.309 -2.199 1.023) 8.656 5.190 ( 7.184 -1.748 -1.154) 7.483 5.625 ( -10.428 1.463 0.140) 10.531 5.667 ( -10.309 -2.436 -1.116) 10.652 6.050 ( -2.767 -2.851 -4.467) 5.978 6.091 ( -3.235 -2.322 -5.014) 6.403 6.257 ( 11.734 -0.535 5.618) 13.021 6.467 ( 19.819 -0.783 12.319) 23.349 6.547 ( 0.220 -2.348 14.350) 14.542 6.588 ( 7.663 -0.810 -5.957) 9.739 6.666 ( 0.739 -1.487 10.604) 10.733 6.899 ( -2.388 -1.045 4.702) 5.376 6.931 ( 9.413 -0.937 1.672) 9.606 6.946 ( 3.281 -3.055 -3.533) 5.708 7.346 ( 3.597 1.745 -3.915) 5.595 7.391 ( 0.736 -2.377 -2.868) 3.797 7.468 ( -5.479 -1.397 -4.421) 7.178 7.754 ( -3.519 -5.093 -5.287) 8.141 7.815 ( 4.124 -2.671 -2.588) 5.553 7.941 ( -10.188 -1.061 7.645) 12.781 7.983 ( 5.654 0.115 5.998) 8.244 7.992 ( -9.734 -0.001 1.320) 9.823 8.255 ( -5.047 -2.004 2.758) 6.091 8.296 ( -0.904 -0.065 -5.225) 5.303 8.470 ( -3.791 0.037 4.291) 5.726 8.558 ( 0.946 -0.111 -7.747) 7.806 8.647 ( -0.480 1.964 -8.093) 8.341 8.850 ( 2.367 0.737 -1.348) 2.822 8.918 ( -3.028 -0.934 0.468) 3.204 9.054 ( 10.276 0.796 -9.025) 13.699 9.103 ( -19.840 -1.121 -8.610) 21.657 9.168 ( -17.350 0.140 -8.123) 19.158 9.497 ( -1.282 0.224 -3.375) 3.618 9.662 ( -5.552 -0.129 2.901) 6.266 9.724 ( -2.283 -1.071 2.073) 3.264 9.772 ( 12.038 -0.314 -19.394) 22.828 9.837 ( -5.841 0.896 6.431) 8.733 9.950 ( 7.532 -0.426 1.804) 7.757 10.069 ( -5.630 -1.352 0.228) 5.794 10.195 ( -6.270 -0.862 0.380) 6.340 10.265 ( -1.205 -0.011 -13.183) 13.238 10.406 ( -9.614 -0.683 -6.671) 11.722 10.512 ( -0.761 -0.534 9.484) 9.530 10.653 ( 3.323 -1.837 -2.452) 4.520 10.689 ( -9.067 -0.873 -3.473) 9.749 10.821 ( -3.358 -2.068 4.948) 6.328 11.059 ( 8.420 1.481 -0.858) 8.592 11.110 ( 14.960 -3.359 -1.341) 15.391 11.169 ( -1.623 0.281 2.190) 2.740 11.271 ( 7.510 -0.593 -1.440) 7.670 11.367 ( -3.363 -0.151 5.351) 6.321 11.702 ( -7.212 -0.369 4.647) 8.588 11.846 ( 4.273 -0.401 15.978) 16.544 11.960 ( 0.876 2.172 2.005) 3.083 12.052 ( -1.000 0.215 9.810) 9.863 12.092 ( 0.862 1.179 10.849) 10.947 12.111 ( 1.907 -1.413 0.005) 2.374 12.150 ( 3.208 -2.570 3.287) 5.263 12.237 ( 1.396 -0.415 -3.129) 3.452 12.284 ( 4.315 -0.574 -3.516) 5.595 12.436 ( 4.040 0.925 2.333) 4.757 12.535 ( 3.446 2.471 0.933) 4.342 12.611 ( -2.110 0.463 -3.420) 4.045 12.633 ( -3.790 -0.599 -6.988) 7.972 12.669 ( -5.104 -1.685 -4.984) 7.330 12.821 ( -3.816 2.195 5.868) 7.336 12.873 ( -9.437 -2.654 0.726) 9.830 12.968 ( 8.885 0.046 6.125) 10.792 13.072 ( 11.777 -0.575 0.837) 11.821 13.117 ( -2.652 -0.171 -1.291) 2.954 13.208 ( 6.044 -0.126 -5.246) 8.005 13.327 ( 18.585 -1.150 8.485) 20.462 13.458 ( -2.703 0.300 -8.956) 9.360 13.651 ( 7.472 -0.105 4.530) 8.739 13.793 ( -1.055 -0.052 12.979) 13.022 13.905 ( 4.826 1.019 7.414) 8.905 14.101 ( -2.991 0.671 -5.533) 6.325 14.156 ( -12.863 -0.026 0.569) 12.876 14.275 ( 21.693 0.014 -5.610) 22.407 14.569 ( 6.197 -0.042 0.332) 6.206 14.830 ( 8.170 -0.171 9.387) 12.446 14.944 ( -3.751 3.057 -12.480) 13.386 14.984 ( -4.082 -0.714 -9.623) 10.477 15.092 ( -5.689 -1.823 -5.572) 8.169 15.126 ( -1.401 -1.131 1.258) 2.196 15.414 ( -11.927 0.725 -13.480) 18.013 15.689 ( 0.641 0.484 3.688) 3.775 15.755 ( -9.058 0.207 4.368) 10.059 15.925 ( -5.280 0.639 4.074) 6.700 15.945 ( 3.734 -0.338 6.163) 7.214 16.161 ( -20.668 -0.123 10.962) 23.395 16.350 ( -3.804 0.398 -5.662) 6.833 16.656 ( -6.460 0.031 -1.682) 6.676 16.681 ( -0.359 0.249 -13.096) 13.104 16.987 ( -1.278 0.307 -9.849) 9.936 17.086 ( -5.447 -0.719 -10.045) 11.449 17.404 ( 8.449 0.545 5.711) 10.212 17.473 ( 7.964 -0.303 0.938) 8.025 17.683 ( -4.865 0.772 3.595) 6.098 17.745 ( -1.264 0.017 7.084) 7.196 17.861 ( -3.578 0.778 -2.486) 4.426 17.878 ( -2.239 -0.601 -0.741) 2.433 17.919 ( 1.172 -0.257 -1.383) 1.831 17.971 ( -5.245 -0.842 -6.996) 8.784 18.103 ( 14.553 0.160 7.138) 16.210 18.164 ( 7.007 0.145 6.723) 9.712 18.414 ( 5.153 0.303 -2.531) 5.749 18.477 ( 2.250 0.394 -7.301) 7.650 18.524 ( -2.579 0.829 0.223) 2.718 18.568 ( 0.630 -0.272 -2.849) 2.930 18.665 ( -4.485 0.109 2.126) 4.965 18.669 ( -4.648 -0.090 -0.130) 4.651 18.927 ( 3.583 0.260 1.227) 3.796 19.011 ( 4.288 -0.005 -6.477) 7.768 19.308 ( 1.255 -0.169 11.959) 12.026 19.361 ( 0.608 -0.293 12.450) 12.468 19.542 ( 12.177 0.208 6.547) 13.827 19.741 ( 6.305 0.208 7.193) 9.567 19.934 ( 11.287 0.293 5.816) 12.701 19.945 ( 9.531 -0.077 4.698) 10.626 20.083 ( -0.606 0.004 4.180) 4.224 20.291 ( -11.383 -0.152 -10.644) 15.585 20.428 ( -4.974 0.050 -5.153) 7.162 20.441 ( 1.190 -0.608 -5.056) 5.230 20.646 ( -11.606 -0.108 4.526) 12.458 20.714 ( -11.195 0.317 -0.119) 11.200 20.743 ( 7.246 -0.442 0.981) 7.325 20.838 ( -2.540 -0.314 -8.733) 9.100 20.857 ( 7.563 -0.091 -2.844) 8.081 20.985 ( -9.408 -0.230 -2.861) 9.836 21.060 ( -4.685 -0.257 1.382) 4.892 21.232 ( -5.940 0.010 -4.841) 7.663 21.901 ( 7.575 0.162 -4.057) 8.595 21.937 ( -3.007 -0.105 -1.616) 3.415 22.191 ( -2.752 0.571 8.050) 8.527 22.203 ( 3.154 -0.259 10.549) 11.013 22.608 ( 4.710 0.510 -1.932) 5.116 22.730 ( 12.930 0.381 -0.349) 12.941 22.813 ( -1.073 -0.339 -4.220) 4.367 22.851 ( -1.154 -0.028 -3.292) 3.488 23.021 ( -7.552 0.327 14.349) 16.218 23.083 ( 7.164 0.550 7.764) 10.579 23.179 ( -4.373 0.481 -7.422) 8.628 23.499 ( -0.886 0.094 -6.797) 6.856 23.517 ( -8.727 0.369 -0.699) 8.762 23.664 ( -8.216 0.467 -3.044) 8.774 23.760 ( -10.201 0.062 0.006) 10.201 23.795 ( -6.193 0.171 1.615) 6.402 23.882 ( -1.134 1.137 -3.318) 3.687 24.027 ( -6.098 0.256 -12.598) 13.998 24.241 ( 10.886 0.452 4.810) 11.910 24.496 ( 5.698 0.966 0.720) 5.824 24.618 ( 23.567 -0.511 2.941) 23.755 24.639 ( 17.765 -0.341 -0.133) 17.769 24.780 ( -0.417 0.045 5.684) 5.699 25.042 ( 23.805 -0.670 0.647) 23.823 25.187 ( -14.412 0.447 -8.203) 16.589 25.285 ( 20.939 -0.151 16.681) 26.772 25.494 ( -3.032 0.228 -16.134) 16.418 25.599 ( -1.187 0.017 -0.483) 1.282 25.667 ( 0.144 -0.502 0.621) 0.811 26.018 ( 5.937 -0.096 -7.360) 9.457 26.203 ( -8.692 -0.341 15.713) 17.960 26.282 ( -0.641 -0.016 -0.312) 0.712 26.380 ( 16.911 -0.195 -7.253) 18.402 26.790 ( -37.444 -1.511 3.206) 37.611 26.805 ( -35.958 -2.890 -7.139) 36.774 27.109 ( -15.560 -1.449 -12.998) 20.326 27.529 ( 4.284 -0.024 11.305) 12.090 27.752 ( 0.554 -1.361 15.041) 15.112 27.877 ( 4.648 -0.062 -3.975) 6.116 28.048 ( 8.204 -1.348 -2.925) 8.814 28.099 ( -9.222 -1.100 3.090) 9.788 28.203 ( -8.629 -0.644 -0.893) 8.699 28.406 ( 6.792 -1.005 8.248) 10.732 28.598 ( 15.509 -0.994 -4.075) 16.067 28.913 ( -5.262 -0.491 4.887) 7.198 28.947 ( 7.010 -0.452 0.470) 7.040 29.252 ( -5.511 -0.379 -6.753) 8.724 29.276 ( -8.774 -1.534 -7.170) 11.435 29.652 ( 8.356 -0.399 -2.981) 8.881 29.734 ( 14.002 -0.490 -8.822) 16.556 30.215 ( -2.172 -0.909 7.808) 8.155 30.320 ( 6.797 -1.222 6.345) 9.378 30.351 ( -0.483 -1.642 -1.664) 2.387 30.537 ( 1.400 0.031 0.307) 1.433 30.562 ( -3.871 -0.954 1.057) 4.125 30.594 ( -0.981 -0.325 -0.032) 1.034 30.790 ( -6.164 -0.764 2.430) 6.670 30.918 ( 11.421 -0.457 -0.112) 11.431 30.947 ( -11.842 -1.305 -4.894) 12.880 31.188 ( 3.358 -0.322 -5.140) 6.148 31.220 ( 5.958 -0.989 8.240) 10.216 31.336 ( -2.376 -0.799 -2.474) 3.522 31.458 ( 1.627 -1.519 -4.137) 4.698 31.643 ( -7.821 -1.224 -7.219) 10.714 31.813 ( 4.531 -1.118 6.501) 8.002 32.021 ( 3.742 -0.303 -4.148) 5.595 32.300 ( -9.442 -1.461 10.222) 13.992 32.750 ( -21.215 -0.658 -7.937) 22.660 32.840 ( 9.159 -1.928 9.512) 13.345 33.112 ( -3.828 -0.915 0.770) 4.010 33.526 ( 4.605 -0.429 -7.765) 9.038 33.589 ( 5.985 -1.770 -13.604) 14.967 34.045 ( 11.154 -1.255 14.421) 18.274 34.313 ( 7.959 -3.959 9.948) 13.341 35.267 ( 6.266 -2.827 8.968) 11.299 36.022 ( -18.100 -8.352 -16.392) 25.809 ======================= Grid point 82 (36/54) ======================= q-point: (-0.50 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.000 7.386 -2.972) 7.961 2.479 ( -0.000 2.272 -1.813) 2.907 2.560 ( 0.000 0.374 -1.368) 1.418 2.623 ( 0.000 -2.983 -4.358) 5.282 2.810 ( 0.000 8.456 3.770) 9.258 2.834 ( -0.000 7.290 1.645) 7.473 2.944 ( 0.000 -3.802 -2.977) 4.829 2.977 ( -0.000 -7.441 0.155) 7.442 3.076 ( -0.000 2.051 2.251) 3.046 3.117 ( 0.000 -1.789 -0.413) 1.836 3.250 ( -0.000 1.468 2.891) 3.242 3.264 ( 0.000 1.019 -1.848) 2.110 3.312 ( 0.000 0.665 5.992) 6.029 3.318 ( -0.000 0.411 0.743) 0.849 3.373 ( -0.000 4.544 3.676) 5.845 3.392 ( 0.000 3.491 2.571) 4.335 3.590 ( 0.000 5.887 0.970) 5.966 3.601 ( -0.000 3.567 0.694) 3.634 3.628 ( 0.000 4.871 -0.282) 4.880 3.633 ( -0.000 1.359 0.161) 1.368 3.770 ( 0.000 -1.175 -5.364) 5.491 3.798 ( -0.000 -5.633 -5.511) 7.881 3.933 ( -0.000 2.015 0.236) 2.029 3.962 ( 0.000 -1.317 -0.909) 1.600 4.093 ( -0.000 0.518 5.004) 5.031 4.172 ( 0.000 -5.786 5.337) 7.871 4.250 ( -0.000 -1.271 5.585) 5.727 4.276 ( 0.000 -3.712 5.993) 7.049 4.400 ( -0.000 6.612 -0.793) 6.660 4.437 ( 0.000 2.599 -0.533) 2.653 4.613 ( -0.000 0.715 -6.423) 6.463 4.644 ( 0.000 -1.534 -5.248) 5.468 5.274 ( 0.000 0.376 -2.561) 2.588 5.309 ( 0.000 -3.163 -3.562) 4.763 5.454 ( -0.000 0.264 4.971) 4.978 5.486 ( -0.000 -2.905 4.140) 5.058 6.038 ( -0.000 -2.000 -7.987) 8.233 6.049 ( 0.000 -3.004 -8.143) 8.680 6.413 ( -0.000 0.027 4.298) 4.298 6.440 ( 0.000 -2.524 4.439) 5.107 6.667 ( -0.001 -1.917 10.506) 10.680 6.669 ( 0.001 -2.760 9.273) 9.675 6.879 ( 0.000 2.333 4.018) 4.646 6.941 ( -0.000 -4.146 5.835) 7.158 7.018 ( 0.000 0.642 -3.251) 3.314 7.061 ( -0.000 -3.211 -0.473) 3.246 7.286 ( 0.000 1.764 1.693) 2.445 7.340 ( -0.000 -2.956 -0.698) 3.037 7.581 ( 0.000 1.196 3.813) 3.996 7.625 ( -0.000 -3.145 0.858) 3.260 7.779 ( -0.000 -0.650 -2.203) 2.297 7.832 ( 0.000 -5.283 -1.907) 5.616 7.963 ( -0.000 1.158 -1.472) 1.872 8.003 ( 0.000 -2.675 -1.755) 3.199 8.193 ( -0.000 2.034 3.608) 4.142 8.249 ( 0.000 -3.520 6.463) 7.360 8.468 ( -0.000 0.113 7.897) 7.898 8.477 ( 0.000 -0.645 10.393) 10.413 8.623 ( 0.000 2.201 -8.376) 8.661 8.650 ( -0.000 -0.661 -8.922) 8.946 8.899 ( -0.000 0.417 -6.436) 6.449 8.905 ( 0.000 -0.052 -7.291) 7.291 9.151 ( -0.000 1.404 -15.542) 15.605 9.195 ( 0.000 -2.778 -15.815) 16.058 9.487 ( 0.000 2.963 -1.217) 3.204 9.540 ( -0.000 -2.099 -3.282) 3.896 9.817 ( 0.000 1.479 7.564) 7.707 9.830 ( 0.000 -0.023 3.027) 3.027 9.870 ( -0.000 -0.453 -4.156) 4.181 9.880 ( -0.000 -1.783 -8.603) 8.786 10.073 ( -6.803 -0.358 -13.107) 14.772 10.073 ( 6.803 -0.393 -12.190) 13.965 10.317 ( -0.000 0.210 3.088) 3.095 10.348 ( 0.000 -2.861 3.831) 4.782 10.524 ( 0.000 0.671 6.440) 6.475 10.539 ( -0.000 -0.779 5.331) 5.388 10.731 ( 0.000 -1.854 -2.298) 2.953 10.741 ( -0.000 -2.853 -3.259) 4.332 11.076 ( -0.000 2.381 2.329) 3.330 11.129 ( -0.000 -2.608 0.492) 2.654 11.334 ( -0.000 0.493 1.491) 1.570 11.342 ( -0.000 -0.542 4.910) 4.940 11.458 ( 0.000 -0.093 -5.282) 5.283 11.478 ( -0.000 -2.230 -3.876) 4.472 11.956 ( 0.000 4.235 3.220) 5.320 12.004 ( -0.000 0.106 13.614) 13.614 12.016 ( 0.000 -0.149 16.758) 16.759 12.024 ( 0.000 -0.646 7.570) 7.598 12.142 ( 0.000 -0.912 6.317) 6.382 12.167 ( -0.000 -2.460 6.289) 6.753 12.296 ( 0.000 1.381 -3.601) 3.857 12.341 ( -0.000 -2.920 -1.631) 3.344 12.448 ( -0.000 2.314 -3.488) 4.186 12.481 ( 0.000 -0.885 -2.864) 2.997 12.576 ( 0.000 0.150 -4.468) 4.470 12.577 ( -0.000 0.170 -1.990) 1.998 12.690 ( -0.000 1.835 -2.877) 3.412 12.740 ( -0.000 -3.040 -4.158) 5.151 12.952 ( 0.000 0.398 6.701) 6.713 12.961 ( -0.000 -0.468 7.529) 7.544 13.232 ( 0.000 0.767 -3.959) 4.032 13.258 ( -0.000 -1.625 -5.134) 5.385 13.265 ( -0.000 2.701 -1.573) 3.125 13.300 ( 0.000 -1.092 -1.792) 2.098 13.634 ( 0.000 0.300 12.438) 12.442 13.647 ( -0.000 -1.029 11.068) 11.116 13.845 ( -0.000 2.193 0.651) 2.288 13.891 ( 0.000 -2.276 1.433) 2.690 14.010 ( -0.000 1.675 0.883) 1.893 14.040 ( 0.000 -1.280 1.774) 2.188 14.631 ( 0.000 1.158 -7.428) 7.518 14.657 ( -0.000 -1.416 -6.988) 7.130 14.771 ( -0.000 3.877 -9.469) 10.232 14.852 ( -0.000 -4.143 -8.572) 9.521 15.053 ( -0.000 3.041 -4.410) 5.357 15.107 ( 0.000 -2.228 -6.428) 6.803 15.235 ( -0.000 0.783 -0.371) 0.866 15.250 ( 0.000 -0.757 -1.272) 1.480 15.503 ( 0.000 2.234 18.160) 18.296 15.547 ( 0.000 -2.108 16.883) 17.014 15.905 ( 0.000 0.400 7.282) 7.293 15.915 ( -0.000 -0.544 6.085) 6.109 16.119 ( -0.001 0.547 0.536) 0.766 16.121 ( 0.001 0.496 -0.397) 0.636 16.684 ( 0.000 0.098 -15.166) 15.167 16.689 ( 0.000 -0.272 -15.465) 15.467 16.999 ( 0.000 0.069 -12.463) 12.463 17.000 ( -0.000 -0.085 -13.247) 13.247 17.524 ( 0.000 2.458 0.251) 2.471 17.569 ( -0.000 -1.925 1.360) 2.357 17.635 ( -0.000 0.813 4.792) 4.861 17.655 ( 0.000 -1.146 4.080) 4.238 17.806 ( -0.000 0.019 -1.223) 1.224 17.809 ( 0.000 -0.208 -0.557) 0.594 17.928 ( -0.000 0.969 -4.956) 5.050 17.953 ( 0.000 -1.607 -4.164) 4.464 18.321 ( 0.000 1.062 7.485) 7.560 18.332 ( -0.000 0.040 7.633) 7.633 18.467 ( -0.000 0.900 -0.278) 0.942 18.477 ( 0.000 -0.199 4.117) 4.122 18.494 ( 0.000 1.242 -0.757) 1.455 18.517 ( -0.000 -0.975 3.055) 3.207 18.578 ( -0.000 1.876 -3.756) 4.198 18.616 ( 0.000 -1.820 -3.922) 4.324 19.018 ( 0.000 1.240 -0.736) 1.442 19.040 ( 0.000 -0.915 -0.949) 1.318 19.335 ( -0.000 0.238 14.984) 14.986 19.349 ( 0.000 -1.065 14.690) 14.728 19.748 ( -0.000 0.274 6.390) 6.396 19.751 ( 0.000 -0.024 6.368) 6.368 20.064 ( 0.000 0.582 4.954) 4.988 20.074 ( -0.000 -0.435 5.590) 5.607 20.201 ( -0.000 1.098 -4.240) 4.380 20.212 ( 0.000 0.038 -4.177) 4.177 20.341 ( 0.000 0.342 -7.339) 7.347 20.355 ( -0.000 -0.989 -7.850) 7.912 20.492 ( 0.000 -0.496 -3.893) 3.924 20.495 ( -0.000 -0.790 -3.770) 3.852 20.849 ( 0.000 0.008 3.112) 3.112 20.850 ( -0.000 -0.143 3.364) 3.367 20.948 ( 0.000 0.490 -3.335) 3.371 20.961 ( -0.000 -0.881 -3.503) 3.613 21.042 ( -0.000 0.294 -3.765) 3.777 21.049 ( 0.000 -0.335 -3.186) 3.203 21.837 ( -0.000 1.137 6.015) 6.121 21.857 ( 0.000 -0.837 5.978) 6.037 22.323 ( -0.000 0.797 1.781) 1.951 22.336 ( 0.000 -0.517 1.804) 1.877 22.678 ( 0.001 0.733 -5.579) 5.627 22.682 ( -0.001 0.372 -5.564) 5.576 22.848 ( -0.000 -0.260 -0.036) 0.262 22.849 ( 0.000 -0.303 -0.262) 0.400 23.037 ( 0.001 0.409 2.469) 2.503 23.041 ( -0.001 0.082 3.148) 3.149 23.307 ( -0.011 0.523 5.413) 5.438 23.308 ( 0.011 0.526 4.946) 4.973 23.503 ( 0.000 0.195 -5.450) 5.454 23.506 ( -0.000 -0.049 -5.699) 5.700 23.694 ( 0.000 0.549 1.246) 1.362 23.698 ( 0.000 0.245 1.688) 1.706 23.922 ( -0.000 1.049 -7.211) 7.287 23.930 ( 0.000 0.253 -7.233) 7.238 24.441 ( 0.000 1.387 6.255) 6.407 24.453 ( -0.000 0.175 5.673) 5.676 24.889 ( 0.000 -0.302 -5.270) 5.278 24.892 ( -0.000 0.475 -0.026) 0.476 24.910 ( 0.002 0.448 -1.344) 1.417 24.911 ( -0.002 -0.785 -6.394) 6.442 25.445 ( -0.000 0.605 3.704) 3.753 25.466 ( 0.000 -1.348 3.580) 3.825 25.615 ( 0.000 0.479 -3.437) 3.471 25.640 ( 0.000 -2.197 -4.076) 4.631 25.845 ( -0.000 0.361 8.259) 8.267 25.862 ( 0.000 -1.243 8.113) 8.208 26.085 ( -0.000 -1.223 2.160) 2.483 26.099 ( 0.000 -2.853 1.110) 3.061 26.297 ( -0.000 0.664 1.080) 1.268 26.313 ( 0.000 -0.991 1.968) 2.204 26.796 ( -0.000 -0.394 -18.146) 18.150 26.802 ( 0.000 -0.933 -19.076) 19.099 27.647 ( -0.000 1.507 15.742) 15.814 27.686 ( 0.000 -2.369 16.196) 16.369 28.000 ( -0.000 0.974 -1.923) 2.155 28.004 ( 0.000 0.595 0.142) 0.612 28.035 ( 0.000 -2.509 -0.858) 2.652 28.035 ( -0.000 -2.554 -1.851) 3.154 28.658 ( -0.000 -0.109 5.071) 5.073 28.662 ( 0.000 -0.542 4.850) 4.880 28.944 ( -0.000 -1.174 -4.587) 4.735 28.945 ( 0.000 -1.316 -4.418) 4.610 29.159 ( -0.000 -0.054 -5.448) 5.449 29.171 ( 0.000 -1.225 -5.441) 5.577 29.830 ( 0.000 -0.064 -0.305) 0.311 29.835 ( -0.000 -0.581 -0.232) 0.626 30.264 ( 0.000 -1.047 -0.988) 1.440 30.271 ( -0.000 -1.822 -1.032) 2.094 30.447 ( -0.000 0.367 7.238) 7.247 30.456 ( 0.000 -0.583 7.130) 7.154 30.608 ( 0.000 -0.418 -2.602) 2.635 30.617 ( 0.000 -1.292 -2.925) 3.198 30.715 ( 0.000 -1.040 -1.216) 1.600 30.718 ( -0.000 -1.310 -0.923) 1.603 31.138 ( -0.000 0.446 -4.777) 4.798 31.159 ( 0.000 -1.476 -5.203) 5.408 31.316 ( 0.000 -0.410 2.974) 3.002 31.320 ( -0.000 -0.716 3.753) 3.820 31.475 ( -0.000 -0.337 -2.545) 2.567 31.507 ( 0.000 -3.555 -2.144) 4.151 31.925 ( -0.000 1.142 4.975) 5.104 31.963 ( 0.000 -2.518 5.487) 6.037 32.357 ( -0.000 0.823 -4.625) 4.698 32.396 ( 0.000 -2.906 -4.033) 4.971 33.002 ( 0.000 -0.449 4.174) 4.198 33.015 ( -0.000 -1.766 4.303) 4.651 33.592 ( -0.000 0.203 -10.541) 10.543 33.614 ( 0.000 -1.994 -12.003) 12.167 34.262 ( 0.000 -0.314 19.129) 19.131 34.317 ( -0.000 -5.969 18.218) 19.171 35.571 ( 0.000 -4.071 -9.486) 10.323 35.592 ( -0.000 -6.308 -9.046) 11.028 ======================= Grid point 110 (37/54) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.452 ( 0.000 0.000 -32.505) 32.505 1.452 ( 0.000 0.000 32.505) 32.505 1.590 ( 0.000 0.000 -34.126) 34.126 1.590 ( 0.000 0.000 34.126) 34.126 2.484 ( 0.000 0.000 -25.035) 25.035 2.484 ( 0.000 0.000 25.035) 25.035 2.574 ( 0.000 0.000 -17.278) 17.278 2.574 ( 0.000 0.000 17.278) 17.278 2.849 ( 0.000 0.000 -35.506) 35.506 2.849 ( 0.000 0.000 35.506) 35.506 2.969 ( 0.000 0.000 -0.694) 0.694 2.969 ( 0.000 0.000 0.694) 0.694 3.164 ( 0.000 0.000 -4.929) 4.929 3.164 ( 0.000 0.000 4.929) 4.929 3.240 ( 0.000 0.000 -5.264) 5.264 3.240 ( 0.000 0.000 5.264) 5.264 3.398 ( 0.000 0.000 -6.621) 6.621 3.398 ( 0.000 0.000 6.621) 6.621 3.443 ( 0.000 0.000 -2.013) 2.013 3.443 ( 0.000 0.000 2.013) 2.013 3.565 ( 0.000 0.000 -0.965) 0.965 3.565 ( 0.000 0.000 0.965) 0.965 3.783 ( 0.000 0.000 -5.572) 5.572 3.783 ( 0.000 0.000 5.572) 5.572 4.377 ( 0.000 0.000 -7.581) 7.581 4.377 ( 0.000 0.000 7.581) 7.581 4.430 ( 0.000 0.000 -4.906) 4.906 4.430 ( 0.000 0.000 4.906) 4.906 4.844 ( 0.000 0.000 -2.409) 2.409 4.844 ( 0.000 0.000 2.409) 2.409 5.064 ( 0.000 0.000 -2.497) 2.497 5.064 ( 0.000 0.000 2.497) 2.497 5.186 ( 0.000 0.000 -0.425) 0.425 5.186 ( 0.000 0.000 0.425) 0.425 5.873 ( 0.000 0.000 -6.010) 6.010 5.873 ( 0.000 0.000 6.010) 6.010 6.214 ( 0.000 0.000 -3.965) 3.965 6.214 ( 0.000 0.000 3.965) 3.965 6.874 ( 0.000 0.000 -5.838) 5.838 6.874 ( 0.000 0.000 5.838) 5.838 6.958 ( 0.000 0.000 -0.112) 0.112 6.958 ( 0.000 0.000 0.112) 0.112 7.040 ( 0.000 0.000 -8.635) 8.635 7.040 ( 0.000 0.000 8.635) 8.635 7.188 ( 0.000 0.000 -2.902) 2.902 7.188 ( 0.000 0.000 2.902) 2.902 7.391 ( 0.000 0.000 -13.443) 13.443 7.391 ( 0.000 0.000 13.443) 13.443 7.618 ( 0.000 0.000 -3.427) 3.427 7.618 ( 0.000 0.000 3.427) 3.427 7.806 ( 0.000 0.000 -16.710) 16.710 7.806 ( 0.000 0.000 16.710) 16.710 7.871 ( 0.000 0.000 -4.886) 4.886 7.871 ( 0.000 0.000 4.886) 4.886 8.219 ( 0.000 0.000 -5.888) 5.888 8.219 ( 0.000 0.000 5.888) 5.888 8.501 ( 0.000 0.000 -5.364) 5.364 8.501 ( 0.000 0.000 5.364) 5.364 8.556 ( 0.000 0.000 -9.671) 9.671 8.556 ( 0.000 0.000 9.671) 9.671 8.904 ( 0.000 0.000 -14.591) 14.591 8.904 ( 0.000 0.000 14.591) 14.591 9.234 ( 0.000 0.000 -4.490) 4.490 9.234 ( 0.000 0.000 4.490) 4.490 9.328 ( 0.000 0.000 -3.039) 3.039 9.328 ( 0.000 0.000 3.039) 3.039 9.851 ( 0.000 0.000 -1.628) 1.628 9.851 ( 0.000 0.000 1.628) 1.628 10.052 ( 0.000 0.000 -3.719) 3.719 10.052 ( 0.000 0.000 3.719) 3.719 10.369 ( 0.000 0.000 -5.036) 5.036 10.369 ( 0.000 0.000 5.036) 5.036 10.685 ( 0.000 0.000 -11.973) 11.973 10.685 ( 0.000 0.000 11.973) 11.973 10.761 ( 0.000 0.000 -15.289) 15.289 10.761 ( 0.000 0.000 15.289) 15.289 11.083 ( 0.000 0.000 -3.555) 3.555 11.083 ( 0.000 0.000 3.555) 3.555 11.300 ( 0.000 0.000 -4.017) 4.017 11.300 ( 0.000 0.000 4.017) 4.017 11.501 ( 0.000 0.000 -14.643) 14.643 11.501 ( 0.000 0.000 14.643) 14.643 11.891 ( 0.000 0.000 -13.253) 13.253 11.891 ( 0.000 0.000 13.253) 13.253 11.947 ( 0.000 0.000 -2.022) 2.022 11.947 ( 0.000 0.000 2.022) 2.022 11.982 ( 0.000 0.000 -14.928) 14.928 11.982 ( 0.000 0.000 14.928) 14.928 12.176 ( 0.000 0.000 -1.094) 1.094 12.176 ( 0.000 0.000 1.094) 1.094 12.348 ( 0.000 0.000 -5.604) 5.604 12.348 ( 0.000 0.000 5.604) 5.604 12.373 ( 0.000 0.000 -8.638) 8.638 12.373 ( 0.000 0.000 8.638) 8.638 12.416 ( 0.000 0.000 -3.730) 3.730 12.416 ( 0.000 0.000 3.730) 3.730 12.846 ( 0.000 0.000 -1.671) 1.671 12.846 ( 0.000 0.000 1.671) 1.671 12.969 ( 0.000 0.000 -10.156) 10.156 12.969 ( 0.000 0.000 10.156) 10.156 13.052 ( 0.000 0.000 -21.730) 21.730 13.052 ( 0.000 0.000 21.730) 21.730 13.222 ( 0.000 0.000 -5.752) 5.752 13.222 ( 0.000 0.000 5.752) 5.752 13.539 ( 0.000 0.000 -14.708) 14.708 13.539 ( 0.000 0.000 14.708) 14.708 13.599 ( 0.000 0.000 -10.037) 10.037 13.599 ( 0.000 0.000 10.037) 10.037 14.151 ( 0.000 0.000 -5.371) 5.371 14.151 ( 0.000 0.000 5.371) 5.371 14.603 ( 0.000 0.000 -20.348) 20.348 14.603 ( 0.000 0.000 20.348) 20.348 14.757 ( 0.000 0.000 -7.079) 7.079 14.757 ( 0.000 0.000 7.079) 7.079 15.054 ( 0.000 0.000 -12.924) 12.924 15.054 ( 0.000 0.000 12.924) 12.924 15.104 ( 0.000 0.000 -16.568) 16.568 15.104 ( 0.000 0.000 16.568) 16.568 15.765 ( 0.000 0.000 -13.453) 13.453 15.765 ( 0.000 0.000 13.453) 13.453 15.787 ( 0.000 0.000 -0.837) 0.837 15.787 ( 0.000 0.000 0.837) 0.837 15.910 ( 0.000 0.000 -9.378) 9.378 15.910 ( 0.000 0.000 9.378) 9.378 16.938 ( 0.000 0.000 -0.943) 0.943 16.938 ( 0.000 0.000 0.943) 0.943 17.061 ( 0.000 0.000 -17.446) 17.446 17.061 ( 0.000 0.000 17.446) 17.446 17.437 ( 0.000 0.000 -2.325) 2.325 17.437 ( 0.000 0.000 2.325) 2.325 17.697 ( 0.000 0.000 -0.728) 0.728 17.697 ( 0.000 0.000 0.728) 0.728 17.779 ( 0.000 0.000 -17.464) 17.464 17.779 ( 0.000 0.000 17.464) 17.464 18.057 ( 0.000 0.000 -6.115) 6.115 18.057 ( 0.000 0.000 6.115) 6.115 18.125 ( 0.000 0.000 -4.631) 4.631 18.125 ( 0.000 0.000 4.631) 4.631 18.263 ( 0.000 0.000 -2.145) 2.145 18.263 ( 0.000 0.000 2.145) 2.145 18.362 ( 0.000 0.000 -5.480) 5.480 18.362 ( 0.000 0.000 5.480) 5.480 18.754 ( 0.000 0.000 -6.285) 6.285 18.754 ( 0.000 0.000 6.285) 6.285 18.792 ( 0.000 0.000 -2.892) 2.892 18.792 ( 0.000 0.000 2.892) 2.892 19.338 ( 0.000 0.000 -1.926) 1.926 19.338 ( 0.000 0.000 1.926) 1.926 19.476 ( 0.000 0.000 -3.980) 3.980 19.476 ( 0.000 0.000 3.980) 3.980 19.999 ( 0.000 0.000 -0.509) 0.509 19.999 ( 0.000 0.000 0.509) 0.509 20.400 ( 0.000 0.000 -2.897) 2.897 20.400 ( 0.000 0.000 2.897) 2.897 20.625 ( 0.000 0.000 -10.222) 10.222 20.625 ( 0.000 0.000 10.222) 10.222 20.645 ( 0.000 0.000 -0.746) 0.746 20.645 ( 0.000 0.000 0.746) 0.746 20.765 ( 0.000 0.000 -6.011) 6.011 20.765 ( 0.000 0.000 6.011) 6.011 21.208 ( 0.000 0.000 -4.479) 4.479 21.208 ( 0.000 0.000 4.479) 4.479 21.317 ( 0.000 0.000 -15.140) 15.140 21.317 ( 0.000 0.000 15.140) 15.140 22.077 ( 0.000 0.000 -11.375) 11.375 22.077 ( 0.000 0.000 11.375) 11.375 22.306 ( 0.000 0.000 -1.411) 1.411 22.306 ( 0.000 0.000 1.411) 1.411 22.738 ( 0.000 0.000 -17.496) 17.496 22.738 ( 0.000 0.000 17.496) 17.496 22.863 ( 0.000 0.000 -5.264) 5.264 22.863 ( 0.000 0.000 5.264) 5.264 22.952 ( 0.000 0.000 -10.913) 10.913 22.952 ( 0.000 0.000 10.913) 10.913 23.494 ( 0.000 0.000 -5.927) 5.927 23.494 ( 0.000 0.000 5.927) 5.927 23.629 ( 0.000 0.000 -2.097) 2.097 23.629 ( 0.000 0.000 2.097) 2.097 23.924 ( 0.000 0.000 -3.468) 3.468 23.924 ( 0.000 0.000 3.468) 3.468 24.155 ( 0.000 0.000 -9.945) 9.945 24.155 ( 0.000 0.000 9.945) 9.945 24.279 ( 0.000 0.000 -1.828) 1.828 24.279 ( 0.000 0.000 1.828) 1.828 24.627 ( 0.000 0.000 -19.757) 19.757 24.627 ( 0.000 0.000 19.757) 19.757 25.195 ( 0.000 0.000 -10.738) 10.738 25.195 ( 0.000 0.000 10.738) 10.738 25.335 ( 0.000 0.000 -24.287) 24.287 25.335 ( 0.000 0.000 24.287) 24.287 25.426 ( 0.000 0.000 -4.961) 4.961 25.426 ( 0.000 0.000 4.961) 4.961 25.843 ( 0.000 0.000 -5.695) 5.695 25.843 ( 0.000 0.000 5.695) 5.695 26.275 ( 0.000 0.000 -0.645) 0.645 26.275 ( 0.000 0.000 0.645) 0.645 26.781 ( 0.000 0.000 -21.903) 21.903 26.781 ( 0.000 0.000 21.903) 21.903 27.678 ( 0.000 0.000 -9.851) 9.851 27.678 ( 0.000 0.000 9.851) 9.851 28.348 ( 0.000 0.000 -6.672) 6.672 28.348 ( 0.000 0.000 6.672) 6.672 28.410 ( 0.000 0.000 -14.007) 14.007 28.410 ( 0.000 0.000 14.007) 14.007 28.511 ( 0.000 0.000 -8.414) 8.414 28.511 ( 0.000 0.000 8.414) 8.414 28.846 ( 0.000 0.000 -0.029) 0.029 28.846 ( 0.000 0.000 0.029) 0.029 29.168 ( 0.000 0.000 -17.733) 17.733 29.168 ( 0.000 0.000 17.733) 17.733 29.480 ( 0.000 0.000 -19.412) 19.412 29.480 ( 0.000 0.000 19.412) 19.412 30.035 ( 0.000 0.000 -7.811) 7.811 30.035 ( 0.000 0.000 7.811) 7.811 30.601 ( 0.000 0.000 -8.406) 8.406 30.601 ( 0.000 0.000 8.406) 8.406 30.779 ( 0.000 0.000 -0.598) 0.598 30.779 ( 0.000 0.000 0.598) 0.598 30.950 ( 0.000 0.000 -5.168) 5.168 30.950 ( 0.000 0.000 5.168) 5.168 31.047 ( 0.000 0.000 -0.181) 0.181 31.047 ( 0.000 0.000 0.181) 0.181 31.486 ( 0.000 0.000 -5.946) 5.946 31.486 ( 0.000 0.000 5.946) 5.946 31.978 ( 0.000 0.000 -0.811) 0.811 31.978 ( 0.000 0.000 0.811) 0.811 32.257 ( 0.000 0.000 -10.886) 10.886 32.257 ( 0.000 0.000 10.886) 10.886 32.371 ( 0.000 0.000 -8.477) 8.477 32.371 ( 0.000 0.000 8.477) 8.477 32.807 ( 0.000 0.000 -3.166) 3.166 32.807 ( 0.000 0.000 3.166) 3.166 33.074 ( 0.000 0.000 -1.976) 1.976 33.074 ( 0.000 0.000 1.976) 1.976 33.545 ( 0.000 0.000 -1.660) 1.660 33.545 ( 0.000 0.000 1.660) 1.660 33.642 ( 0.000 0.000 -0.351) 0.351 33.642 ( 0.000 0.000 0.351) 0.351 34.618 ( 0.000 0.000 -0.684) 0.684 34.618 ( 0.000 0.000 0.684) 0.684 ======================= Grid point 112 (38/54) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.638 ( 18.428 0.000 -26.891) 32.599 1.638 ( 18.428 0.000 26.891) 32.599 1.782 ( 16.681 0.000 -24.746) 29.843 1.782 ( 16.681 0.000 24.746) 29.843 2.400 ( -12.214 0.000 -1.830) 12.351 2.400 ( -12.214 0.000 1.830) 12.351 2.652 ( 2.658 0.000 -0.857) 2.793 2.652 ( 2.658 0.000 0.857) 2.793 2.844 ( -4.218 0.000 -15.265) 15.837 2.844 ( -4.218 0.000 15.265) 15.837 2.920 ( 1.975 0.000 -18.200) 18.307 2.920 ( 1.975 0.000 18.200) 18.307 3.142 ( 5.875 0.000 -4.871) 7.632 3.142 ( 5.875 0.000 4.871) 7.632 3.306 ( -0.718 0.000 -2.177) 2.292 3.306 ( -0.718 0.000 2.177) 2.292 3.369 ( -0.059 0.000 -2.144) 2.144 3.369 ( -0.059 0.000 2.144) 2.144 3.455 ( -0.338 0.000 -0.271) 0.433 3.455 ( -0.338 0.000 0.271) 0.433 3.578 ( 1.635 0.000 -0.052) 1.636 3.578 ( 1.635 0.000 0.052) 1.636 3.771 ( -0.609 0.000 -3.063) 3.122 3.771 ( -0.609 0.000 3.063) 3.122 4.156 ( -18.229 0.000 -1.399) 18.283 4.156 ( -18.229 0.000 1.399) 18.283 4.421 ( -1.190 0.000 -2.234) 2.531 4.421 ( -1.190 0.000 2.234) 2.531 4.776 ( 1.073 0.000 -2.187) 2.436 4.776 ( 1.073 0.000 2.187) 2.436 5.074 ( -9.349 0.000 -0.346) 9.355 5.074 ( -9.349 0.000 0.346) 9.355 5.322 ( 14.093 0.000 -1.518) 14.175 5.322 ( 14.093 0.000 1.518) 14.175 5.798 ( -5.141 0.000 -5.993) 7.896 5.798 ( -5.141 0.000 5.993) 7.896 6.381 ( 14.020 0.000 -2.205) 14.192 6.381 ( 14.020 0.000 2.205) 14.192 6.811 ( -5.625 0.000 -14.443) 15.499 6.811 ( -5.625 0.000 14.443) 15.499 6.862 ( -2.078 0.000 -3.697) 4.241 6.862 ( -2.078 0.000 3.697) 4.241 7.135 ( -18.682 0.000 -4.168) 19.141 7.135 ( -18.682 0.000 4.168) 19.141 7.276 ( 11.412 0.000 -12.631) 17.022 7.276 ( 11.412 0.000 12.631) 17.022 7.316 ( 10.971 0.000 -1.815) 11.120 7.316 ( 10.971 0.000 1.815) 11.120 7.532 ( 2.492 0.000 -0.704) 2.590 7.532 ( 2.492 0.000 0.704) 2.590 7.836 ( -1.826 0.000 -7.533) 7.751 7.836 ( -1.826 0.000 7.533) 7.751 8.060 ( 9.474 0.000 -10.325) 14.013 8.060 ( 9.474 0.000 10.325) 14.013 8.188 ( -3.946 0.000 -0.491) 3.977 8.188 ( -3.946 0.000 0.491) 3.977 8.352 ( -7.035 0.000 -0.750) 7.075 8.352 ( -7.035 0.000 0.750) 7.075 8.663 ( -13.449 0.000 -16.315) 21.144 8.663 ( -13.449 0.000 16.315) 21.144 8.845 ( 10.897 0.000 -8.567) 13.861 8.845 ( 10.897 0.000 8.567) 13.861 9.024 ( -0.357 0.000 -7.207) 7.216 9.024 ( -0.357 0.000 7.207) 7.216 9.563 ( 6.427 0.000 -3.606) 7.369 9.563 ( 6.427 0.000 3.606) 7.369 9.903 ( -12.441 0.000 -4.388) 13.193 9.903 ( -12.441 0.000 4.388) 13.193 10.012 ( 12.002 0.000 -7.921) 14.380 10.012 ( 12.002 0.000 7.921) 14.380 10.334 ( -6.581 0.000 -3.643) 7.522 10.334 ( -6.581 0.000 3.643) 7.522 10.661 ( -4.389 0.000 -7.653) 8.822 10.661 ( -4.389 0.000 7.653) 8.822 10.767 ( 1.628 0.000 -7.484) 7.659 10.767 ( 1.628 0.000 7.484) 7.659 10.965 ( -2.853 0.000 -12.093) 12.425 10.965 ( -2.853 0.000 12.093) 12.425 11.250 ( -1.338 0.000 -1.647) 2.122 11.250 ( -1.338 0.000 1.647) 2.122 11.592 ( 4.196 0.000 -8.227) 9.235 11.592 ( 4.196 0.000 8.227) 9.235 11.708 ( -15.885 0.000 -5.082) 16.678 11.708 ( -15.885 0.000 5.082) 16.678 11.959 ( 3.481 0.000 -3.985) 5.291 11.959 ( 3.481 0.000 3.985) 5.291 12.084 ( -2.935 0.000 -1.301) 3.210 12.084 ( -2.935 0.000 1.301) 3.210 12.149 ( 6.282 0.000 -3.794) 7.338 12.149 ( 6.282 0.000 3.794) 7.338 12.241 ( 3.505 0.000 -2.199) 4.138 12.241 ( 3.505 0.000 2.199) 4.138 12.439 ( 5.112 0.000 -5.573) 7.563 12.439 ( 5.112 0.000 5.573) 7.563 12.584 ( 0.820 0.000 -2.755) 2.874 12.584 ( 0.820 0.000 2.755) 2.874 12.736 ( -7.225 0.000 -7.521) 10.430 12.736 ( -7.225 0.000 7.521) 10.430 12.914 ( -4.559 0.000 -18.480) 19.034 12.914 ( -4.559 0.000 18.480) 19.034 13.103 ( 10.350 0.000 -3.892) 11.057 13.103 ( 10.350 0.000 3.892) 11.057 13.407 ( 3.578 0.000 -0.738) 3.653 13.407 ( 3.578 0.000 0.738) 3.653 13.468 ( -0.512 0.000 -9.658) 9.672 13.468 ( -0.512 0.000 9.658) 9.672 13.786 ( 9.856 0.000 -5.600) 11.336 13.786 ( 9.856 0.000 5.600) 11.336 14.245 ( 12.179 0.000 -4.951) 13.147 14.245 ( 12.179 0.000 4.951) 13.147 14.512 ( -7.838 0.000 -10.517) 13.116 14.512 ( -7.838 0.000 10.517) 13.116 14.782 ( 1.491 0.000 -0.840) 1.711 14.782 ( 1.491 0.000 0.840) 1.711 15.031 ( -1.948 0.000 -9.736) 9.929 15.031 ( -1.948 0.000 9.736) 9.929 15.060 ( -4.331 0.000 -13.125) 13.822 15.060 ( -4.331 0.000 13.125) 13.822 15.600 ( -4.872 0.000 -9.210) 10.419 15.600 ( -4.872 0.000 9.210) 10.419 15.776 ( -0.304 0.000 -0.075) 0.313 15.776 ( -0.304 0.000 0.075) 0.313 16.072 ( 3.417 0.000 -8.872) 9.507 16.072 ( 3.417 0.000 8.872) 9.507 16.618 ( -14.913 0.000 -1.552) 14.994 16.618 ( -14.913 0.000 1.552) 14.994 16.995 ( -11.410 0.000 -17.185) 20.628 16.995 ( -11.410 0.000 17.185) 20.628 17.600 ( 9.919 0.000 -2.783) 10.302 17.600 ( 9.919 0.000 2.783) 10.302 17.694 ( 0.790 0.000 -0.111) 0.798 17.694 ( 0.790 0.000 0.111) 0.798 17.800 ( 1.284 0.000 -6.438) 6.565 17.800 ( 1.284 0.000 6.438) 6.565 18.061 ( -6.630 0.000 -0.751) 6.672 18.061 ( -6.630 0.000 0.751) 6.672 18.149 ( 8.097 0.000 -3.736) 8.917 18.149 ( 8.097 0.000 3.736) 8.917 18.280 ( -0.029 0.000 -3.954) 3.954 18.280 ( -0.029 0.000 3.954) 3.954 18.413 ( 4.041 0.000 -1.779) 4.415 18.413 ( 4.041 0.000 1.779) 4.415 18.764 ( 1.683 0.000 -4.027) 4.365 18.764 ( 1.683 0.000 4.027) 4.365 18.829 ( 2.490 0.000 -2.100) 3.257 18.829 ( 2.490 0.000 2.100) 3.257 19.443 ( 10.083 0.000 -2.755) 10.452 19.443 ( 10.083 0.000 2.755) 10.452 19.648 ( 16.498 0.000 -7.919) 18.301 19.648 ( 16.498 0.000 7.919) 18.301 19.947 ( -6.171 0.000 -0.437) 6.187 19.947 ( -6.171 0.000 0.437) 6.187 20.374 ( -10.446 0.000 -7.535) 12.880 20.374 ( -10.446 0.000 7.535) 12.880 20.419 ( -2.447 0.000 -5.946) 6.430 20.419 ( -2.447 0.000 5.946) 6.430 20.723 ( -2.942 0.000 -1.160) 3.162 20.723 ( -2.942 0.000 1.160) 3.162 20.814 ( 4.423 0.000 -4.730) 6.476 20.814 ( 4.423 0.000 4.730) 6.476 20.997 ( -7.320 0.000 -3.826) 8.260 20.997 ( -7.320 0.000 3.826) 8.260 21.340 ( -11.824 0.000 -1.023) 11.868 21.340 ( -11.824 0.000 1.023) 11.868 21.952 ( 3.658 0.000 -1.273) 3.873 21.952 ( 3.658 0.000 1.273) 3.873 22.501 ( 1.194 0.000 -2.850) 3.090 22.501 ( 1.194 0.000 2.850) 3.090 22.617 ( -4.330 0.000 -8.430) 9.477 22.617 ( -4.330 0.000 8.430) 9.477 22.844 ( 1.766 0.000 -5.575) 5.848 22.844 ( 1.766 0.000 5.575) 5.848 23.024 ( 4.994 0.000 -1.858) 5.329 23.024 ( 4.994 0.000 1.858) 5.329 23.430 ( -9.926 0.000 -9.929) 14.040 23.430 ( -9.926 0.000 9.929) 14.040 23.553 ( -3.052 0.000 -2.578) 3.995 23.553 ( -3.052 0.000 2.578) 3.995 23.834 ( -5.392 0.000 -6.679) 8.584 23.834 ( -5.392 0.000 6.679) 8.584 23.898 ( -12.428 0.000 -1.034) 12.471 23.898 ( -12.428 0.000 1.034) 12.471 24.302 ( 5.724 0.000 -6.194) 8.434 24.302 ( 5.724 0.000 6.194) 8.434 24.752 ( -2.071 0.000 -15.210) 15.350 24.752 ( -2.071 0.000 15.210) 15.350 25.010 ( -3.890 0.000 -11.004) 11.671 25.010 ( -3.890 0.000 11.004) 11.671 25.574 ( 1.919 0.000 -2.710) 3.321 25.574 ( 1.919 0.000 2.710) 3.321 25.696 ( 26.146 0.000 -16.536) 30.937 25.696 ( 26.146 0.000 16.536) 30.937 26.162 ( 25.799 0.000 -16.138) 30.431 26.162 ( 25.799 0.000 16.138) 30.431 26.307 ( 5.499 0.000 -1.132) 5.614 26.307 ( 5.499 0.000 1.132) 5.614 26.692 ( -8.857 0.000 -22.824) 24.483 26.692 ( -8.857 0.000 22.824) 24.483 27.725 ( 0.517 0.000 -10.796) 10.808 27.725 ( 0.517 0.000 10.796) 10.808 28.056 ( -17.681 0.000 -10.709) 20.671 28.056 ( -17.681 0.000 10.709) 20.671 28.260 ( -10.024 0.000 -3.730) 10.696 28.260 ( -10.024 0.000 3.730) 10.696 28.766 ( 12.695 0.000 -2.404) 12.920 28.766 ( 12.695 0.000 2.404) 12.920 28.864 ( 4.815 0.000 -5.164) 7.060 28.864 ( 4.815 0.000 5.164) 7.060 29.082 ( -2.845 0.000 -3.933) 4.854 29.082 ( -2.845 0.000 3.933) 4.854 29.619 ( 1.610 0.000 -5.152) 5.398 29.619 ( 1.610 0.000 5.152) 5.398 29.997 ( 0.980 0.000 -6.244) 6.321 29.997 ( 0.980 0.000 6.244) 6.321 30.602 ( -1.755 0.000 -1.613) 2.383 30.602 ( -1.755 0.000 1.613) 2.383 30.678 ( -7.035 0.000 -2.968) 7.635 30.678 ( -7.035 0.000 2.968) 7.635 30.874 ( -0.073 0.000 -0.379) 0.386 30.874 ( -0.073 0.000 0.379) 0.386 31.276 ( 13.003 0.000 -6.110) 14.367 31.276 ( 13.003 0.000 6.110) 14.367 31.533 ( 3.181 0.000 -10.889) 11.344 31.533 ( 3.181 0.000 10.889) 11.344 31.980 ( 0.108 0.000 -1.144) 1.149 31.980 ( 0.108 0.000 1.144) 1.149 32.169 ( -5.332 0.000 -1.683) 5.591 32.169 ( -5.332 0.000 1.683) 5.591 32.383 ( -0.689 0.000 -2.184) 2.290 32.383 ( -0.689 0.000 2.184) 2.290 32.837 ( 2.221 0.000 -2.958) 3.699 32.837 ( 2.221 0.000 2.958) 3.699 33.095 ( 1.840 0.000 -1.943) 2.676 33.095 ( 1.840 0.000 1.943) 2.676 33.461 ( -7.134 0.000 -3.354) 7.883 33.461 ( -7.134 0.000 3.354) 7.883 33.633 ( -0.420 0.000 -0.029) 0.421 33.633 ( -0.420 0.000 0.029) 0.421 34.562 ( -4.063 0.000 -0.699) 4.123 34.562 ( -4.063 0.000 0.699) 4.123 ======================= Grid point 114 (39/54) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 0.000 -0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.308 ( -0.000 0.000 -0.000) 0.000 2.308 ( 0.000 0.000 -0.000) 0.000 2.321 ( -0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 3.038 ( -0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.254 ( -0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.281 ( -0.000 0.000 0.000) 0.000 3.281 ( -0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.413 ( 0.000 0.000 0.000) 0.000 3.413 ( -0.000 0.000 0.000) 0.000 3.647 ( -0.000 0.000 0.000) 0.000 3.647 ( -0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 -0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 -0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 4.916 ( -0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 -0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.760 ( -0.000 0.000 -0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.861 ( -0.000 0.000 -0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 -0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.458 ( -0.000 0.000 -0.000) 0.000 7.458 ( 0.000 0.000 -0.000) 0.000 7.649 ( -0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 8.061 ( -0.000 0.000 -0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.378 ( -0.000 0.000 -0.000) 0.000 8.378 ( -0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 -0.000) 0.000 8.386 ( 0.000 0.000 0.000) 0.000 9.037 ( -0.000 0.000 -0.000) 0.000 9.037 ( -0.000 0.000 0.000) 0.000 9.104 ( -0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 10.132 ( -0.000 0.000 -0.000) 0.000 10.132 ( -0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 -0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.636 ( -0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.791 ( -0.000 0.000 0.000) 0.000 11.025 ( 0.000 0.000 0.000) 0.000 11.025 ( -0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.234 ( 0.000 0.000 0.000) 0.000 11.467 ( 0.000 0.000 -0.000) 0.000 11.467 ( -0.000 0.000 0.000) 0.000 11.637 ( 0.000 0.000 0.000) 0.000 11.637 ( 0.000 0.000 0.000) 0.000 11.993 ( -0.000 0.000 0.000) 0.000 11.993 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.299 ( -0.000 0.000 -0.000) 0.000 12.299 ( 0.000 0.000 0.000) 0.000 12.346 ( -0.000 0.000 0.000) 0.000 12.346 ( -0.000 0.000 0.000) 0.000 12.471 ( 0.000 0.000 0.000) 0.000 12.471 ( 0.000 0.000 0.000) 0.000 12.530 ( 0.000 0.000 0.000) 0.000 12.530 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.860 ( -0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 0.000) 0.000 13.257 ( 0.000 0.000 0.000) 0.000 13.257 ( 0.000 0.000 0.000) 0.000 13.339 ( -0.000 0.000 0.000) 0.000 13.339 ( -0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 13.853 ( 0.000 0.000 0.000) 0.000 13.853 ( 0.000 0.000 0.000) 0.000 14.405 ( -0.000 0.000 0.000) 0.000 14.405 ( -0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 14.997 ( 0.000 0.000 0.000) 0.000 14.997 ( 0.000 0.000 0.000) 0.000 15.010 ( 0.000 0.000 -0.000) 0.000 15.010 ( 0.000 0.000 0.000) 0.000 15.572 ( 0.000 0.000 -0.000) 0.000 15.572 ( 0.000 0.000 0.000) 0.000 15.817 ( 0.000 0.000 0.000) 0.000 15.817 ( 0.000 0.000 0.000) 0.000 16.013 ( 0.000 0.000 0.000) 0.000 16.013 ( -0.000 0.000 0.000) 0.000 16.484 ( -0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 17.692 ( 0.000 0.000 0.000) 0.000 17.692 ( 0.000 0.000 0.000) 0.000 17.776 ( -0.000 0.000 -0.000) 0.000 17.776 ( 0.000 0.000 -0.000) 0.000 17.806 ( -0.000 0.000 0.000) 0.000 17.806 ( 0.000 0.000 0.000) 0.000 17.912 ( -0.000 0.000 -0.000) 0.000 17.912 ( 0.000 0.000 0.000) 0.000 18.264 ( -0.000 0.000 -0.000) 0.000 18.264 ( -0.000 0.000 0.000) 0.000 18.265 ( 0.000 0.000 -0.000) 0.000 18.265 ( 0.000 0.000 0.000) 0.000 18.461 ( 0.000 0.000 0.000) 0.000 18.461 ( 0.000 0.000 0.000) 0.000 18.791 ( 0.000 0.000 -0.000) 0.000 18.791 ( 0.000 0.000 0.000) 0.000 18.855 ( 0.000 0.000 0.000) 0.000 18.855 ( 0.000 0.000 0.000) 0.000 19.648 ( 0.000 0.000 0.000) 0.000 19.648 ( -0.000 0.000 0.000) 0.000 19.767 ( 0.000 0.000 0.000) 0.000 19.767 ( 0.000 0.000 0.000) 0.000 19.970 ( 0.000 0.000 0.000) 0.000 19.970 ( 0.000 0.000 0.000) 0.000 20.173 ( -0.000 0.000 0.000) 0.000 20.173 ( 0.000 0.000 0.000) 0.000 20.385 ( 0.000 0.000 -0.000) 0.000 20.385 ( -0.000 0.000 0.000) 0.000 20.637 ( -0.000 0.000 -0.000) 0.000 20.637 ( 0.000 0.000 0.000) 0.000 20.933 ( 0.000 0.000 0.000) 0.000 20.933 ( 0.000 0.000 0.000) 0.000 21.016 ( 0.000 0.000 0.000) 0.000 21.016 ( 0.000 0.000 0.000) 0.000 21.037 ( -0.000 0.000 -0.000) 0.000 21.037 ( -0.000 0.000 0.000) 0.000 22.087 ( 0.000 0.000 0.000) 0.000 22.087 ( -0.000 0.000 0.000) 0.000 22.342 ( -0.000 0.000 0.000) 0.000 22.342 ( 0.000 0.000 0.000) 0.000 22.647 ( 0.000 0.000 0.000) 0.000 22.647 ( 0.000 0.000 0.000) 0.000 22.934 ( 0.000 0.000 0.000) 0.000 22.934 ( 0.000 0.000 0.000) 0.000 23.099 ( -0.000 0.000 -0.000) 0.000 23.099 ( -0.000 0.000 0.000) 0.000 23.236 ( 0.000 0.000 -0.000) 0.000 23.236 ( 0.000 0.000 0.000) 0.000 23.536 ( 0.000 0.000 0.000) 0.000 23.536 ( 0.000 0.000 0.000) 0.000 23.783 ( 0.000 0.000 0.000) 0.000 23.783 ( 0.000 0.000 0.000) 0.000 23.786 ( -0.000 0.000 -0.000) 0.000 23.786 ( 0.000 0.000 -0.000) 0.000 24.368 ( 0.000 0.000 0.000) 0.000 24.368 ( -0.000 0.000 0.000) 0.000 24.687 ( 0.000 0.000 0.000) 0.000 24.687 ( 0.000 0.000 0.000) 0.000 25.010 ( 0.000 0.000 0.000) 0.000 25.010 ( 0.000 0.000 0.000) 0.000 25.573 ( -0.000 0.000 0.000) 0.000 25.573 ( 0.000 0.000 0.000) 0.000 26.005 ( 0.000 0.000 0.000) 0.000 26.005 ( 0.000 0.000 0.000) 0.000 26.387 ( 0.000 0.000 0.000) 0.000 26.387 ( 0.000 0.000 0.000) 0.000 26.481 ( 0.000 0.000 0.000) 0.000 26.481 ( -0.000 0.000 0.000) 0.000 26.585 ( 0.000 0.000 0.000) 0.000 26.585 ( 0.000 0.000 0.000) 0.000 27.580 ( 0.000 0.000 0.000) 0.000 27.580 ( 0.000 0.000 0.000) 0.000 27.960 ( 0.000 0.000 0.000) 0.000 27.960 ( 0.000 0.000 0.000) 0.000 28.137 ( -0.000 0.000 0.000) 0.000 28.137 ( -0.000 0.000 0.000) 0.000 28.827 ( 0.000 0.000 0.000) 0.000 28.827 ( 0.000 0.000 0.000) 0.000 29.009 ( -0.000 0.000 0.000) 0.000 29.009 ( 0.000 0.000 0.000) 0.000 29.101 ( 0.000 0.000 0.000) 0.000 29.101 ( 0.000 0.000 0.000) 0.000 29.531 ( 0.000 0.000 0.000) 0.000 29.531 ( -0.000 0.000 0.000) 0.000 30.059 ( 0.000 0.000 -0.000) 0.000 30.059 ( 0.000 0.000 0.000) 0.000 30.562 ( 0.000 0.000 0.000) 0.000 30.562 ( 0.000 0.000 0.000) 0.000 30.603 ( -0.000 0.000 0.000) 0.000 30.603 ( 0.000 0.000 0.000) 0.000 30.891 ( 0.000 0.000 0.000) 0.000 30.891 ( 0.000 0.000 0.000) 0.000 31.431 ( -0.000 0.000 -0.000) 0.000 31.431 ( -0.000 0.000 0.000) 0.000 31.557 ( 0.000 0.000 0.000) 0.000 31.557 ( 0.000 0.000 0.000) 0.000 31.981 ( 0.000 0.000 0.000) 0.000 31.981 ( 0.000 0.000 0.000) 0.000 32.117 ( 0.000 0.000 0.000) 0.000 32.117 ( 0.000 0.000 0.000) 0.000 32.363 ( 0.000 0.000 0.000) 0.000 32.363 ( 0.000 0.000 0.000) 0.000 32.862 ( 0.000 0.000 0.000) 0.000 32.862 ( 0.000 0.000 0.000) 0.000 33.122 ( 0.000 0.000 0.000) 0.000 33.122 ( 0.000 0.000 0.000) 0.000 33.369 ( 0.000 0.000 0.000) 0.000 33.369 ( 0.000 0.000 0.000) 0.000 33.629 ( 0.000 0.000 0.000) 0.000 33.629 ( 0.000 0.000 0.000) 0.000 34.516 ( 0.000 0.000 0.000) 0.000 34.516 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 120 (40/54) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.000 15.409 -27.522) 31.542 1.617 ( 0.000 15.409 27.522) 31.542 1.697 ( 0.000 10.104 -31.037) 32.640 1.697 ( 0.000 10.104 31.037) 32.640 2.489 ( 0.000 0.718 -20.902) 20.914 2.489 ( 0.000 0.718 20.902) 20.914 2.589 ( 0.000 1.626 -15.195) 15.281 2.589 ( 0.000 1.626 15.195) 15.281 2.839 ( 0.000 -0.717 -33.527) 33.534 2.839 ( 0.000 -0.717 33.527) 33.534 2.974 ( 0.000 0.588 -1.751) 1.848 2.974 ( 0.000 0.588 1.751) 1.848 3.190 ( 0.000 2.118 -4.362) 4.849 3.190 ( 0.000 2.118 4.362) 4.849 3.244 ( 0.000 0.718 -4.769) 4.822 3.244 ( 0.000 0.718 4.769) 4.822 3.410 ( 0.000 -3.077 -1.634) 3.483 3.410 ( 0.000 -3.077 1.634) 3.483 3.442 ( 0.000 4.182 -7.180) 8.310 3.442 ( 0.000 4.182 7.180) 8.310 3.528 ( 0.000 -1.815 -0.625) 1.919 3.528 ( 0.000 -1.815 0.625) 1.919 3.833 ( 0.000 3.282 -5.945) 6.791 3.833 ( 0.000 3.282 5.945) 6.791 4.368 ( 0.000 -1.209 -7.750) 7.844 4.368 ( 0.000 -1.209 7.750) 7.844 4.435 ( 0.000 0.420 -3.661) 3.685 4.435 ( 0.000 0.420 3.661) 3.685 4.820 ( 0.000 -2.551 -2.568) 3.620 4.820 ( 0.000 -2.551 2.568) 3.620 5.052 ( 0.000 -0.840 -4.252) 4.334 5.052 ( 0.000 -0.840 4.252) 4.334 5.151 ( 0.000 -3.785 -1.287) 3.998 5.151 ( 0.000 -3.785 1.287) 3.998 5.857 ( 0.000 -1.346 -5.610) 5.769 5.857 ( 0.000 -1.346 5.610) 5.769 6.229 ( 0.000 1.390 -4.853) 5.048 6.229 ( 0.000 1.390 4.853) 5.048 6.811 ( 0.000 -5.308 -7.549) 9.228 6.811 ( 0.000 -5.308 7.549) 9.228 6.927 ( 0.000 -7.533 -11.657) 13.879 6.927 ( 0.000 -7.533 11.657) 13.879 6.935 ( 0.000 -2.122 -1.335) 2.507 6.935 ( 0.000 -2.122 1.335) 2.507 7.262 ( 0.000 2.235 -3.006) 3.746 7.262 ( 0.000 2.235 3.006) 3.746 7.389 ( 0.000 -0.390 -14.053) 14.059 7.389 ( 0.000 -0.390 14.053) 14.059 7.703 ( 0.000 7.349 -5.943) 9.451 7.703 ( 0.000 7.349 5.943) 9.451 7.817 ( 0.000 1.055 -16.201) 16.235 7.817 ( 0.000 1.055 16.201) 16.235 7.911 ( 0.000 3.510 -9.965) 10.565 7.911 ( 0.000 3.510 9.965) 10.565 8.244 ( 0.000 1.927 -10.614) 10.787 8.244 ( 0.000 1.927 10.614) 10.787 8.515 ( 0.000 1.727 -0.198) 1.738 8.515 ( 0.000 1.727 0.198) 1.738 8.550 ( 0.000 -0.558 -9.132) 9.149 8.550 ( 0.000 -0.558 9.132) 9.149 8.904 ( 0.000 0.069 -14.130) 14.131 8.904 ( 0.000 0.069 14.130) 14.131 9.246 ( 0.000 1.043 -4.596) 4.713 9.246 ( 0.000 1.043 4.596) 4.713 9.342 ( 0.000 0.514 -3.749) 3.785 9.342 ( 0.000 0.514 3.749) 3.785 9.846 ( 0.000 -0.548 -1.967) 2.042 9.846 ( 0.000 -0.548 1.967) 2.042 10.081 ( 0.000 1.979 -5.886) 6.209 10.081 ( 0.000 1.979 5.886) 6.209 10.361 ( 0.000 -0.754 -5.519) 5.570 10.361 ( 0.000 -0.754 5.519) 5.570 10.703 ( 0.000 1.719 -12.430) 12.549 10.703 ( 0.000 1.719 12.430) 12.549 10.722 ( 0.000 -3.799 -15.152) 15.621 10.722 ( 0.000 -3.799 15.152) 15.621 11.056 ( 0.000 -2.740 -4.690) 5.432 11.056 ( 0.000 -2.740 4.690) 5.432 11.259 ( 0.000 -3.424 -3.145) 4.649 11.259 ( 0.000 -3.424 3.145) 4.649 11.455 ( 0.000 -4.832 -10.810) 11.841 11.455 ( 0.000 -4.832 10.810) 11.841 11.817 ( 0.000 -5.760 -9.803) 11.370 11.817 ( 0.000 -5.760 9.803) 11.370 11.982 ( 0.000 3.064 -3.045) 4.320 11.982 ( 0.000 3.064 3.045) 4.320 12.016 ( 0.000 2.633 -6.427) 6.945 12.016 ( 0.000 2.633 6.427) 6.945 12.171 ( 0.000 -0.617 -1.411) 1.540 12.171 ( 0.000 -0.617 1.411) 1.540 12.367 ( 0.000 -1.180 -9.111) 9.187 12.367 ( 0.000 -1.180 9.111) 9.187 12.377 ( 0.000 2.491 -6.865) 7.303 12.377 ( 0.000 2.491 6.865) 7.303 12.424 ( 0.000 0.889 -3.941) 4.040 12.424 ( 0.000 0.889 3.941) 4.040 12.826 ( 0.000 -1.387 -5.074) 5.260 12.826 ( 0.000 -1.387 5.074) 5.260 12.986 ( 0.000 1.399 -9.587) 9.689 12.986 ( 0.000 1.399 9.587) 9.689 13.076 ( 0.000 2.313 -21.096) 21.222 13.076 ( 0.000 2.313 21.096) 21.222 13.229 ( 0.000 0.483 -4.980) 5.004 13.229 ( 0.000 0.483 4.980) 5.004 13.504 ( 0.000 -3.406 -13.334) 13.762 13.504 ( 0.000 -3.406 13.334) 13.762 13.638 ( 0.000 3.622 -9.026) 9.726 13.638 ( 0.000 3.622 9.026) 9.726 14.135 ( 0.000 -1.442 -5.768) 5.946 14.135 ( 0.000 -1.442 5.768) 5.946 14.617 ( 0.000 1.249 -20.273) 20.311 14.617 ( 0.000 1.249 20.273) 20.311 14.737 ( 0.000 -1.940 -8.754) 8.967 14.737 ( 0.000 -1.940 8.754) 8.967 15.052 ( 0.000 -0.292 -14.109) 14.112 15.052 ( 0.000 -0.292 14.109) 14.112 15.122 ( 0.000 1.648 -11.788) 11.902 15.122 ( 0.000 1.648 11.788) 11.902 15.779 ( 0.000 1.327 -12.738) 12.807 15.779 ( 0.000 1.327 12.738) 12.807 15.827 ( 0.000 3.578 -2.381) 4.298 15.827 ( 0.000 3.578 2.381) 4.298 15.950 ( 0.000 3.600 -10.665) 11.256 15.950 ( 0.000 3.600 10.665) 11.256 16.939 ( 0.000 0.115 -0.695) 0.704 16.939 ( 0.000 0.115 0.695) 0.704 17.039 ( 0.000 -2.024 -17.060) 17.179 17.039 ( 0.000 -2.024 17.060) 17.179 17.453 ( 0.000 1.358 -4.995) 5.176 17.453 ( 0.000 1.358 4.995) 5.176 17.706 ( 0.000 0.891 -3.490) 3.602 17.706 ( 0.000 0.891 3.490) 3.602 17.766 ( 0.000 -1.242 -17.803) 17.846 17.766 ( 0.000 -1.242 17.803) 17.846 18.053 ( 0.000 -0.328 -6.114) 6.123 18.053 ( 0.000 -0.328 6.114) 6.123 18.121 ( 0.000 -0.366 -4.694) 4.708 18.121 ( 0.000 -0.366 4.694) 4.708 18.271 ( 0.000 0.771 -2.994) 3.091 18.271 ( 0.000 0.771 2.994) 3.091 18.379 ( 0.000 1.644 -4.864) 5.134 18.379 ( 0.000 1.644 4.864) 5.134 18.753 ( 0.000 -0.059 -6.933) 6.933 18.753 ( 0.000 -0.059 6.933) 6.933 18.793 ( 0.000 0.131 -3.159) 3.162 18.793 ( 0.000 0.131 3.159) 3.162 19.347 ( 0.000 0.865 -2.613) 2.753 19.347 ( 0.000 0.865 2.613) 2.753 19.486 ( 0.000 0.966 -4.540) 4.641 19.486 ( 0.000 0.966 4.540) 4.641 20.004 ( 0.000 0.406 -0.637) 0.755 20.004 ( 0.000 0.406 0.637) 0.755 20.394 ( 0.000 -0.592 -2.463) 2.533 20.394 ( 0.000 -0.592 2.463) 2.533 20.611 ( 0.000 -3.354 -2.722) 4.320 20.611 ( 0.000 -3.354 2.722) 4.320 20.624 ( 0.000 -0.039 -10.001) 10.001 20.624 ( 0.000 -0.039 10.001) 10.001 20.765 ( 0.000 -0.005 -6.101) 6.101 20.765 ( 0.000 -0.005 6.101) 6.101 21.211 ( 0.000 0.270 -4.414) 4.422 21.211 ( 0.000 0.270 4.414) 4.422 21.291 ( 0.000 -2.607 -14.764) 14.992 21.291 ( 0.000 -2.607 14.764) 14.992 22.006 ( 0.000 -6.757 -12.924) 14.584 22.006 ( 0.000 -6.757 12.924) 14.584 22.314 ( 0.000 0.781 -1.465) 1.660 22.314 ( 0.000 0.781 1.465) 1.660 22.728 ( 0.000 -0.949 -16.829) 16.855 22.728 ( 0.000 -0.949 16.829) 16.855 22.842 ( 0.000 -2.262 -10.338) 10.582 22.842 ( 0.000 -2.262 10.338) 10.582 22.946 ( 0.000 -0.217 -8.529) 8.531 22.946 ( 0.000 -0.217 8.529) 8.531 23.486 ( 0.000 -0.649 -5.564) 5.602 23.486 ( 0.000 -0.649 5.564) 5.602 23.635 ( 0.000 0.518 -2.194) 2.254 23.635 ( 0.000 0.518 2.194) 2.254 23.924 ( 0.000 0.008 -3.490) 3.490 23.924 ( 0.000 0.008 3.490) 3.490 24.100 ( 0.000 -6.597 -13.432) 14.964 24.100 ( 0.000 -6.597 13.432) 14.964 24.276 ( 0.000 -0.203 -1.852) 1.863 24.276 ( 0.000 -0.203 1.852) 1.863 24.533 ( 0.000 -9.293 -6.840) 11.539 24.533 ( 0.000 -9.293 6.840) 11.539 25.161 ( 0.000 -6.490 -8.909) 11.022 25.161 ( 0.000 -6.490 8.909) 11.022 25.259 ( 0.000 -9.060 -5.266) 10.480 25.259 ( 0.000 -9.060 5.266) 10.480 25.336 ( 0.000 0.106 -24.197) 24.197 25.336 ( 0.000 0.106 24.197) 24.197 25.737 ( 0.000 -4.557 -6.959) 8.318 25.737 ( 0.000 -4.557 6.959) 8.318 26.275 ( 0.000 0.018 -0.678) 0.678 26.275 ( 0.000 0.018 0.678) 0.678 26.785 ( 0.000 -0.056 -22.425) 22.425 26.785 ( 0.000 -0.056 22.425) 22.425 27.672 ( 0.000 -0.608 -9.916) 9.935 27.672 ( 0.000 -0.608 9.916) 9.935 28.284 ( 0.000 -6.905 -8.420) 10.889 28.284 ( 0.000 -6.905 8.420) 10.889 28.340 ( 0.000 -14.031 -15.394) 20.829 28.340 ( 0.000 -14.031 15.394) 20.829 28.393 ( 0.000 -0.962 -7.117) 7.181 28.393 ( 0.000 -0.962 7.117) 7.181 28.786 ( 0.000 -5.124 -0.891) 5.201 28.786 ( 0.000 -5.124 0.891) 5.201 29.165 ( 0.000 -0.282 -17.754) 17.756 29.165 ( 0.000 -0.282 17.754) 17.756 29.353 ( 0.000 -7.846 -13.292) 15.435 29.353 ( 0.000 -7.846 13.292) 15.435 29.953 ( 0.000 -7.723 -8.059) 11.162 29.953 ( 0.000 -7.723 8.059) 11.162 30.588 ( 0.000 -1.319 -8.309) 8.413 30.588 ( 0.000 -1.319 8.309) 8.413 30.724 ( 0.000 -4.246 -0.837) 4.327 30.724 ( 0.000 -4.246 0.837) 4.327 30.960 ( 0.000 0.935 -8.595) 8.646 30.960 ( 0.000 0.935 8.595) 8.646 30.984 ( 0.000 -6.575 -2.165) 6.922 30.984 ( 0.000 -6.575 2.165) 6.922 31.433 ( 0.000 -6.665 -10.127) 12.123 31.433 ( 0.000 -6.665 10.127) 12.123 31.688 ( 0.000 -14.325 -2.466) 14.536 31.688 ( 0.000 -14.325 2.466) 14.536 31.963 ( 0.000 -23.817 -12.653) 26.970 31.963 ( 0.000 -23.817 12.653) 26.970 32.352 ( 0.000 -15.051 -12.964) 19.864 32.352 ( 0.000 -15.051 12.964) 19.864 32.689 ( 0.000 18.867 -12.326) 22.536 32.689 ( 0.000 18.867 12.326) 22.536 33.094 ( 0.000 -1.165 -9.191) 9.264 33.094 ( 0.000 -1.165 9.191) 9.264 33.381 ( 0.000 -0.066 -6.396) 6.396 33.381 ( 0.000 -0.066 6.396) 6.396 33.974 ( 0.000 11.107 -9.877) 14.864 33.974 ( 0.000 11.107 9.877) 14.864 35.615 ( 0.000 58.126 -52.212) 78.133 35.615 ( 0.000 58.126 52.212) 78.133 ======================= Grid point 122 (41/54) ======================= q-point: ( 0.25 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 12.571 9.028 -23.706) 28.311 1.726 ( 12.571 9.028 23.706) 28.311 1.893 ( 15.793 9.734 -24.068) 30.388 1.893 ( 15.793 9.734 24.068) 30.388 2.420 ( -10.659 2.066 -2.575) 11.159 2.420 ( -10.659 2.066 2.575) 11.159 2.618 ( 0.981 -1.308 -2.621) 3.089 2.618 ( 0.981 -1.308 2.621) 3.089 2.878 ( 0.332 1.220 -21.775) 21.812 2.878 ( 0.332 1.220 21.775) 21.812 2.962 ( 1.594 4.528 -8.417) 9.689 2.962 ( 1.594 4.528 8.417) 9.689 3.151 ( 4.999 0.935 -3.437) 6.138 3.151 ( 4.999 0.935 3.437) 6.138 3.314 ( 0.510 0.851 -3.802) 3.929 3.314 ( 0.510 0.851 3.802) 3.929 3.366 ( -1.243 -0.602 -2.056) 2.477 3.366 ( -1.243 -0.602 2.056) 2.477 3.475 ( -1.120 1.889 -2.609) 3.410 3.475 ( -1.120 1.889 2.609) 3.410 3.533 ( 3.226 -2.141 -4.641) 6.044 3.533 ( 3.226 -2.141 4.641) 6.044 3.826 ( -0.879 3.784 -4.658) 6.065 3.826 ( -0.879 3.784 4.658) 6.065 4.185 ( -16.848 2.741 -2.825) 17.301 4.185 ( -16.848 2.741 2.825) 17.301 4.415 ( -1.295 -0.797 -2.203) 2.677 4.415 ( -1.295 -0.797 2.203) 2.677 4.729 ( 0.249 -4.620 -2.362) 5.195 4.729 ( 0.249 -4.620 2.362) 5.195 5.038 ( -9.263 -3.646 -0.558) 9.970 5.038 ( -9.263 -3.646 0.558) 9.970 5.303 ( 13.464 -1.591 -2.283) 13.749 5.303 ( 13.464 -1.591 2.283) 13.749 5.791 ( -4.601 -0.824 -5.865) 7.500 5.791 ( -4.601 -0.824 5.865) 7.500 6.383 ( 12.442 0.056 -2.457) 12.682 6.383 ( 12.442 0.056 2.457) 12.682 6.735 ( -6.591 -6.674 -8.863) 12.905 6.735 ( -6.591 -6.674 8.863) 12.905 6.870 ( 3.580 0.282 -7.830) 8.614 6.870 ( 3.580 0.282 7.830) 8.614 7.093 ( -11.609 -2.473 -4.331) 12.635 7.093 ( -11.609 -2.473 4.331) 12.635 7.258 ( 11.936 -2.078 -12.802) 17.626 7.258 ( 11.936 -2.078 12.802) 17.626 7.369 ( 4.078 3.008 -7.529) 9.075 7.369 ( 4.078 3.008 7.529) 9.075 7.597 ( 0.366 4.783 -7.730) 9.098 7.597 ( 0.366 4.783 7.730) 9.098 7.868 ( -2.923 3.232 -6.221) 7.596 7.868 ( -2.923 3.232 6.221) 7.596 8.059 ( 9.399 0.061 -10.639) 14.196 8.059 ( 9.399 0.061 10.639) 14.196 8.186 ( -6.513 -0.188 -8.250) 10.513 8.186 ( -6.513 -0.188 8.250) 10.513 8.380 ( -4.992 2.748 -2.508) 6.226 8.380 ( -4.992 2.748 2.508) 6.226 8.686 ( -10.202 1.818 -15.116) 18.327 8.686 ( -10.202 1.818 15.116) 18.327 8.827 ( 6.432 -1.231 -6.860) 9.483 8.827 ( 6.432 -1.231 6.860) 9.483 9.040 ( -0.077 1.176 -5.388) 5.515 9.040 ( -0.077 1.176 5.388) 5.515 9.558 ( 6.703 -0.421 -3.941) 7.787 9.558 ( 6.703 -0.421 3.941) 7.787 9.927 ( -11.191 1.654 -4.312) 12.107 9.927 ( -11.191 1.654 4.312) 12.107 10.008 ( 8.460 -0.680 -9.232) 12.540 10.008 ( 8.460 -0.680 9.232) 12.540 10.300 ( -8.229 -3.378 -5.258) 10.333 10.300 ( -8.229 -3.378 5.258) 10.333 10.633 ( -4.149 -2.952 -6.006) 7.874 10.633 ( -4.149 -2.952 6.006) 7.874 10.745 ( 1.503 -1.767 -5.160) 5.658 10.745 ( 1.503 -1.767 5.160) 5.658 10.943 ( -2.997 -2.027 -12.084) 12.614 10.943 ( -2.997 -2.027 12.084) 12.614 11.230 ( -0.734 -1.884 -0.858) 2.197 11.230 ( -0.734 -1.884 0.858) 2.197 11.553 ( 3.819 -4.131 -3.370) 6.558 11.553 ( 3.819 -4.131 3.370) 6.558 11.682 ( -12.079 -1.716 -8.093) 14.640 11.682 ( -12.079 -1.716 8.093) 14.640 11.975 ( 3.186 1.565 -2.675) 4.444 11.975 ( 3.186 1.565 2.675) 4.444 12.073 ( -1.620 0.020 -4.564) 4.843 12.073 ( -1.620 0.020 4.564) 4.843 12.209 ( 2.413 3.020 -4.378) 5.840 12.209 ( 2.413 3.020 4.378) 5.840 12.251 ( 4.898 1.430 -3.044) 5.942 12.251 ( 4.898 1.430 3.044) 5.942 12.427 ( 4.829 -0.465 -6.480) 8.095 12.427 ( 4.829 -0.465 6.480) 8.095 12.575 ( 1.247 -1.772 -3.625) 4.223 12.575 ( 1.247 -1.772 3.625) 4.223 12.738 ( -6.291 1.031 -7.163) 9.589 12.738 ( -6.291 1.031 7.163) 9.589 12.935 ( -4.197 1.864 -17.370) 17.966 12.935 ( -4.197 1.864 17.370) 17.966 13.107 ( 7.218 0.424 -5.297) 8.963 13.107 ( 7.218 0.424 5.297) 8.963 13.375 ( 0.660 -3.166 -2.789) 4.270 13.375 ( 0.660 -3.166 2.789) 4.270 13.496 ( 5.030 2.546 -8.614) 10.295 13.496 ( 5.030 2.546 8.614) 10.295 13.800 ( 8.865 1.396 -6.289) 10.958 13.800 ( 8.865 1.396 6.289) 10.958 14.229 ( 12.144 -1.656 -6.203) 13.737 14.229 ( 12.144 -1.656 6.203) 13.737 14.511 ( -8.149 0.038 -12.153) 14.632 14.511 ( -8.149 0.038 12.153) 14.632 14.770 ( 1.078 -1.084 -4.960) 5.190 14.770 ( 1.078 -1.084 4.960) 5.190 15.030 ( -2.757 0.188 -6.865) 7.401 15.030 ( -2.757 0.188 6.865) 7.401 15.091 ( -1.716 2.524 -6.683) 7.347 15.091 ( -1.716 2.524 6.683) 7.347 15.634 ( -4.473 3.116 -9.760) 11.179 15.634 ( -4.473 3.116 9.760) 11.179 15.798 ( -1.866 2.118 -0.098) 2.824 15.798 ( -1.866 2.118 0.098) 2.824 16.095 ( 3.012 2.166 -7.869) 8.699 16.095 ( 3.012 2.166 7.869) 8.699 16.618 ( -14.958 0.014 -1.301) 15.014 16.618 ( -14.958 0.014 1.301) 15.014 16.984 ( -10.745 -0.968 -15.950) 19.256 16.984 ( -10.745 -0.968 15.950) 19.256 17.600 ( 9.205 -0.020 -3.583) 9.878 17.600 ( 9.205 -0.020 3.583) 9.878 17.692 ( 0.278 -0.287 -6.978) 6.989 17.692 ( 0.278 -0.287 6.978) 6.989 17.802 ( 1.647 0.226 -6.387) 6.600 17.802 ( 1.647 0.226 6.387) 6.600 18.051 ( -6.381 -0.957 -2.177) 6.810 18.051 ( -6.381 -0.957 2.177) 6.810 18.150 ( 8.353 0.198 -3.334) 8.996 18.150 ( 8.353 0.198 3.334) 8.996 18.291 ( 0.132 1.069 -3.489) 3.651 18.291 ( 0.132 1.069 3.489) 3.651 18.428 ( 3.798 1.416 -2.400) 4.711 18.428 ( 3.798 1.416 2.400) 4.711 18.758 ( 1.320 -0.603 -4.088) 4.338 18.758 ( 1.320 -0.603 4.088) 4.338 18.836 ( 2.846 0.699 -2.421) 3.802 18.836 ( 2.846 0.699 2.421) 3.802 19.448 ( 9.691 0.415 -3.139) 10.195 19.448 ( 9.691 0.415 3.139) 10.195 19.657 ( 16.290 0.849 -8.241) 18.276 19.657 ( 16.290 0.849 8.241) 18.276 19.951 ( -6.232 0.364 -0.894) 6.307 19.951 ( -6.232 0.364 0.894) 6.307 20.350 ( -9.859 -2.151 -6.423) 11.962 20.350 ( -9.859 -2.151 6.423) 11.962 20.419 ( -2.607 -0.186 -4.346) 5.072 20.419 ( -2.607 -0.186 4.346) 5.072 20.722 ( -2.604 -0.126 -1.150) 2.850 20.722 ( -2.604 -0.126 1.150) 2.850 20.805 ( 3.363 -0.936 -4.407) 5.622 20.805 ( 3.363 -0.936 4.407) 5.622 20.989 ( -6.903 -0.819 -3.807) 7.926 20.989 ( -6.903 -0.819 3.807) 7.926 21.309 ( -11.246 -3.008 -1.680) 11.761 21.309 ( -11.246 -3.008 1.680) 11.761 21.939 ( 4.775 -1.150 -1.687) 5.193 21.939 ( 4.775 -1.150 1.687) 5.193 22.470 ( 1.167 -2.902 -4.477) 5.462 22.470 ( 1.167 -2.902 4.477) 5.462 22.614 ( -4.909 -0.299 -9.257) 10.482 22.614 ( -4.909 -0.299 9.257) 10.482 22.829 ( 2.675 -1.346 -5.821) 6.547 22.829 ( 2.675 -1.346 5.821) 6.547 23.019 ( 5.026 -0.293 -1.571) 5.274 23.019 ( 5.026 -0.293 1.571) 5.274 23.432 ( -9.872 0.179 -10.764) 14.607 23.432 ( -9.872 0.179 10.764) 14.607 23.537 ( -3.940 -1.623 -2.588) 4.986 23.537 ( -3.940 -1.623 2.588) 4.986 23.823 ( -5.588 -1.344 -8.167) 9.987 23.823 ( -5.588 -1.344 8.167) 9.987 23.861 ( -10.095 -2.815 -0.037) 10.480 23.861 ( -10.095 -2.815 0.037) 10.480 24.307 ( 6.180 0.551 -6.437) 8.940 24.307 ( 6.180 0.551 6.437) 8.940 24.759 ( -0.304 0.562 -14.603) 14.617 24.759 ( -0.304 0.562 14.603) 14.617 24.990 ( -3.754 -2.119 -10.015) 10.904 24.990 ( -3.754 -2.119 10.015) 10.904 25.563 ( 5.443 -2.107 -3.335) 6.722 25.563 ( 5.443 -2.107 3.335) 6.722 25.644 ( 30.476 -6.474 -11.052) 33.059 25.644 ( 30.476 -6.474 11.052) 33.059 25.943 ( 24.438 -14.623 -7.236) 29.384 25.943 ( 24.438 -14.623 7.236) 29.384 26.304 ( 3.965 -0.157 -2.092) 4.486 26.304 ( 3.965 -0.157 2.092) 4.486 26.696 ( -8.715 -0.202 -23.162) 24.748 26.696 ( -8.715 -0.202 23.162) 24.748 27.677 ( -8.529 -6.170 -12.609) 16.426 27.677 ( -8.529 -6.170 12.609) 16.426 27.928 ( -13.386 -9.460 -11.630) 20.098 27.928 ( -13.386 -9.460 11.630) 20.098 28.249 ( -7.848 -1.269 -3.799) 8.811 28.249 ( -7.848 -1.269 3.799) 8.811 28.659 ( 14.547 -11.653 -7.616) 20.135 28.659 ( 14.547 -11.653 7.616) 20.135 28.791 ( 1.059 -3.981 -1.182) 4.286 28.791 ( 1.059 -3.981 1.182) 4.286 29.054 ( -4.382 -1.700 -4.952) 6.828 29.054 ( -4.382 -1.700 4.952) 6.828 29.516 ( 3.103 -7.499 -3.925) 9.015 29.516 ( 3.103 -7.499 3.925) 9.015 29.933 ( 2.052 -5.557 -3.963) 7.127 29.933 ( 2.052 -5.557 3.963) 7.127 30.581 ( -1.602 -2.001 -2.375) 3.494 30.581 ( -1.602 -2.001 2.375) 3.494 30.657 ( -5.142 -1.826 -2.576) 6.035 30.657 ( -5.142 -1.826 2.576) 6.035 30.843 ( -2.221 -3.384 -2.638) 4.832 30.843 ( -2.221 -3.384 2.638) 4.832 31.196 ( 10.508 -5.892 -6.342) 13.614 31.196 ( 10.508 -5.892 6.342) 13.614 31.488 ( 4.648 -7.737 -12.305) 15.260 31.488 ( 4.648 -7.737 12.305) 15.260 31.696 ( 0.429 -14.267 -1.748) 14.380 31.696 ( 0.429 -14.267 1.748) 14.380 31.921 ( -3.526 -21.321 -11.937) 24.689 31.921 ( -3.526 -21.321 11.937) 24.689 32.305 ( -4.225 -12.297 -9.745) 16.249 32.305 ( -4.225 -12.297 9.745) 16.249 32.613 ( -4.232 5.583 -6.992) 9.898 32.613 ( -4.232 5.583 6.992) 9.898 33.182 ( 4.897 2.293 -9.398) 10.842 33.182 ( 4.897 2.293 9.398) 10.842 33.407 ( 2.300 2.264 -3.645) 4.868 33.407 ( 2.300 2.264 3.645) 4.868 34.075 ( 10.380 20.944 -12.052) 26.299 34.075 ( 10.380 20.944 12.052) 26.299 35.348 ( -22.764 51.128 -37.397) 67.311 35.348 ( -22.764 51.128 37.397) 67.311 ======================= Grid point 124 (42/54) ======================= q-point: (-0.50 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 1.522 -12.659) 12.750 1.950 ( 0.000 1.522 12.659) 12.750 2.117 ( 0.000 4.802 -3.773) 6.107 2.117 ( 0.000 4.802 3.773) 6.107 2.308 ( -0.000 2.126 -4.326) 4.821 2.308 ( 0.000 2.126 4.326) 4.821 2.444 ( 0.000 10.033 -13.756) 17.027 2.444 ( -0.000 10.033 13.756) 17.027 2.864 ( -0.000 -0.904 -5.947) 6.016 2.864 ( 0.000 -0.904 5.947) 6.016 3.078 ( -0.000 3.392 -1.112) 3.570 3.078 ( -0.000 3.392 1.112) 3.570 3.262 ( 0.000 0.542 -2.047) 2.117 3.262 ( -0.000 0.542 2.047) 2.117 3.307 ( -0.000 2.117 -2.344) 3.158 3.307 ( 0.000 2.117 2.344) 3.158 3.345 ( 0.000 -1.046 -1.823) 2.101 3.345 ( 0.000 -1.046 1.823) 2.101 3.417 ( -0.000 0.655 -1.519) 1.654 3.417 ( 0.000 0.655 1.519) 1.654 3.650 ( 0.000 1.073 -10.480) 10.535 3.650 ( -0.000 1.073 10.480) 10.535 3.774 ( -0.000 1.042 -9.370) 9.428 3.774 ( 0.000 1.042 9.370) 9.428 3.948 ( 0.000 5.399 -2.842) 6.101 3.948 ( 0.000 5.399 2.842) 6.101 4.400 ( 0.000 -0.897 -1.927) 2.126 4.400 ( 0.000 -0.897 1.927) 2.126 4.791 ( 0.000 -5.490 -1.386) 5.662 4.791 ( -0.000 -5.490 1.386) 5.662 4.887 ( 0.000 -3.023 -0.625) 3.087 4.887 ( -0.000 -3.023 0.625) 3.087 5.440 ( 0.000 -2.266 -3.645) 4.292 5.440 ( 0.000 -2.266 3.645) 4.292 5.745 ( 0.000 -0.480 -1.494) 1.569 5.745 ( 0.000 -0.480 1.494) 1.569 6.579 ( 0.000 -4.580 -0.705) 4.634 6.579 ( 0.000 -4.580 0.705) 4.634 6.669 ( 0.000 -5.663 -8.589) 10.288 6.669 ( 0.000 -5.663 8.589) 10.288 6.813 ( -0.000 1.663 -5.563) 5.806 6.813 ( 0.000 1.663 5.563) 5.806 6.953 ( 0.000 5.746 -1.308) 5.893 6.953 ( -0.000 5.746 1.308) 5.893 7.433 ( 0.000 1.095 -2.781) 2.989 7.433 ( -0.000 1.095 2.781) 2.989 7.486 ( -0.000 0.797 -5.327) 5.387 7.486 ( -0.000 0.797 5.327) 5.387 7.641 ( -0.000 -0.947 -2.506) 2.679 7.641 ( 0.000 -0.947 2.506) 2.679 7.827 ( 0.000 1.785 -0.662) 1.903 7.827 ( 0.000 1.785 0.662) 1.903 8.038 ( 0.000 -0.321 -4.298) 4.310 8.038 ( -0.000 -0.321 4.298) 4.310 8.124 ( 0.000 1.037 -3.120) 3.288 8.124 ( 0.000 1.037 3.120) 3.288 8.395 ( 0.000 1.515 -5.089) 5.309 8.395 ( -0.000 1.515 5.089) 5.309 8.436 ( 0.000 4.112 -1.041) 4.242 8.436 ( -0.000 4.112 1.041) 4.242 9.007 ( -0.000 -2.545 -12.210) 12.472 9.007 ( 0.000 -2.545 12.210) 12.472 9.098 ( 0.000 -0.549 -14.850) 14.861 9.098 ( 0.000 -0.549 14.850) 14.861 9.621 ( 0.000 2.110 -6.689) 7.014 9.621 ( -0.000 2.110 6.689) 7.014 9.715 ( -0.000 -0.991 -7.390) 7.456 9.715 ( 0.000 -0.991 7.390) 7.456 10.047 ( -0.000 -5.559 -6.316) 8.414 10.047 ( 0.000 -5.559 6.316) 8.414 10.210 ( 0.000 -0.961 -2.747) 2.910 10.210 ( 0.000 -0.961 2.747) 2.910 10.629 ( 0.000 -0.568 -1.519) 1.622 10.629 ( 0.000 -0.568 1.519) 1.622 10.765 ( -0.000 -2.453 -2.256) 3.332 10.765 ( 0.000 -2.453 2.256) 3.332 10.970 ( 0.000 -4.867 -1.734) 5.167 10.970 ( -0.000 -4.867 1.734) 5.167 11.220 ( 0.000 -1.495 -0.957) 1.776 11.220 ( -0.000 -1.495 0.957) 1.776 11.468 ( 0.000 -0.272 -3.313) 3.324 11.468 ( -0.000 -0.272 3.313) 3.324 11.625 ( 0.000 -1.110 -4.469) 4.605 11.625 ( 0.000 -1.110 4.469) 4.605 11.992 ( 0.000 -0.711 -2.081) 2.199 11.992 ( 0.000 -0.711 2.081) 2.199 12.034 ( 0.000 2.436 -4.390) 5.020 12.034 ( 0.000 2.436 4.390) 5.020 12.285 ( 0.000 -0.241 -0.605) 0.651 12.285 ( -0.000 -0.241 0.605) 0.651 12.379 ( 0.000 1.385 -4.456) 4.667 12.379 ( 0.000 1.385 4.456) 4.667 12.499 ( -0.000 2.153 -1.475) 2.610 12.499 ( 0.000 2.153 1.475) 2.610 12.514 ( 0.000 -1.020 -3.700) 3.838 12.514 ( 0.000 -1.020 3.700) 3.838 12.665 ( 0.000 0.080 -1.871) 1.872 12.665 ( 0.000 0.080 1.871) 1.872 12.886 ( 0.000 2.649 -3.795) 4.629 12.886 ( 0.000 2.649 3.795) 4.629 13.202 ( 0.000 -4.340 -4.859) 6.515 13.202 ( 0.000 -4.340 4.859) 6.515 13.341 ( 0.000 -0.345 -1.512) 1.551 13.341 ( -0.000 -0.345 1.512) 1.551 13.574 ( 0.000 3.763 -1.736) 4.144 13.574 ( 0.000 3.763 1.736) 4.144 13.871 ( 0.000 1.263 -2.836) 3.104 13.871 ( 0.000 1.263 2.836) 3.104 14.381 ( -0.000 -2.400 -5.023) 5.567 14.381 ( 0.000 -2.400 5.023) 5.567 14.464 ( 0.000 0.202 -3.314) 3.320 14.464 ( -0.000 0.202 3.314) 3.320 14.767 ( 0.000 -1.594 -0.808) 1.787 14.767 ( 0.000 -1.594 0.808) 1.787 14.977 ( -0.000 0.394 -1.482) 1.533 14.977 ( -0.000 0.394 1.482) 1.533 15.087 ( -0.000 4.577 -4.069) 6.124 15.087 ( 0.000 4.577 4.069) 6.124 15.598 ( 0.000 2.462 -6.386) 6.844 15.598 ( 0.000 2.462 6.386) 6.844 15.830 ( 0.000 1.268 -0.781) 1.489 15.830 ( 0.000 1.268 0.781) 1.489 16.025 ( -0.000 1.124 -3.595) 3.767 16.025 ( -0.000 1.124 3.595) 3.767 16.486 ( 0.000 0.168 -1.843) 1.851 16.486 ( 0.000 0.168 1.843) 1.851 16.851 ( 0.000 -0.081 -1.585) 1.587 16.851 ( 0.000 -0.081 1.585) 1.587 17.687 ( 0.000 -0.533 -1.721) 1.802 17.687 ( 0.000 -0.533 1.721) 1.802 17.758 ( -0.000 -1.490 -8.522) 8.651 17.758 ( 0.000 -1.490 8.522) 8.651 17.807 ( 0.000 -0.129 -4.120) 4.122 17.807 ( -0.000 -0.129 4.120) 4.122 17.920 ( -0.000 0.576 -4.286) 4.324 17.920 ( -0.000 0.576 4.286) 4.324 18.267 ( -0.000 0.544 -1.390) 1.493 18.267 ( -0.000 0.544 1.390) 1.493 18.281 ( 0.000 1.394 -4.208) 4.433 18.281 ( 0.000 1.394 4.208) 4.433 18.472 ( 0.000 0.975 -1.118) 1.483 18.472 ( 0.000 0.975 1.118) 1.483 18.780 ( 0.000 -1.126 -0.990) 1.500 18.780 ( 0.000 -1.126 0.990) 1.500 18.868 ( 0.000 1.203 -2.194) 2.502 18.868 ( 0.000 1.203 2.194) 2.502 19.643 ( -0.000 -0.501 -0.365) 0.620 19.643 ( 0.000 -0.501 0.365) 0.620 19.771 ( 0.000 0.431 -0.148) 0.455 19.771 ( 0.000 0.431 0.148) 0.455 19.974 ( -0.000 0.464 -1.629) 1.694 19.974 ( 0.000 0.464 1.629) 1.694 20.171 ( 0.000 -0.210 -3.204) 3.211 20.171 ( -0.000 -0.210 3.204) 3.211 20.379 ( 0.000 -0.589 -0.060) 0.592 20.379 ( -0.000 -0.589 0.060) 0.592 20.615 ( 0.000 -2.179 -1.156) 2.467 20.615 ( 0.000 -2.179 1.156) 2.467 20.930 ( 0.000 -0.319 -0.612) 0.690 20.930 ( 0.000 -0.319 0.612) 0.690 21.010 ( 0.000 -0.921 -3.987) 4.092 21.010 ( 0.000 -0.921 3.987) 4.092 21.026 ( -0.000 -0.829 -1.699) 1.890 21.026 ( -0.000 -0.829 1.699) 1.890 22.067 ( -0.000 -1.892 -2.263) 2.950 22.067 ( -0.000 -1.892 2.263) 2.950 22.339 ( 0.000 -0.343 -1.799) 1.832 22.339 ( 0.000 -0.343 1.799) 1.832 22.624 ( 0.000 -2.044 -0.387) 2.080 22.624 ( 0.000 -2.044 0.387) 2.080 22.930 ( 0.000 -0.356 -0.639) 0.732 22.930 ( 0.000 -0.356 0.639) 0.732 23.089 ( -0.000 -0.779 -3.323) 3.413 23.089 ( -0.000 -0.779 3.323) 3.413 23.236 ( 0.000 0.030 -3.447) 3.447 23.236 ( 0.000 0.030 3.447) 3.447 23.518 ( 0.000 -1.694 -0.268) 1.715 23.518 ( 0.000 -1.694 0.268) 1.715 23.767 ( -0.000 -1.349 -5.824) 5.978 23.767 ( 0.000 -1.349 5.824) 5.978 23.772 ( 0.000 -1.100 -4.874) 4.997 23.772 ( 0.000 -1.100 4.874) 4.997 24.379 ( 0.000 1.106 -0.825) 1.379 24.379 ( -0.000 1.106 0.825) 1.379 24.701 ( 0.000 1.436 -0.211) 1.452 24.701 ( 0.000 1.436 0.211) 1.452 24.993 ( 0.000 -1.667 -0.874) 1.882 24.993 ( 0.000 -1.667 0.874) 1.882 25.574 ( 0.000 0.057 -0.524) 0.527 25.574 ( 0.000 0.057 0.524) 0.527 25.999 ( 0.000 -0.727 -0.864) 1.129 25.999 ( 0.000 -0.727 0.864) 1.129 26.276 ( 0.000 -12.203 -16.762) 20.734 26.276 ( 0.000 -12.203 16.762) 20.734 26.456 ( -0.000 -1.356 -21.003) 21.047 26.456 ( 0.000 -1.356 21.003) 21.047 26.553 ( 0.000 -1.733 -5.916) 6.164 26.553 ( 0.000 -1.733 5.916) 6.164 27.364 ( 0.000 -20.607 -3.810) 20.956 27.364 ( 0.000 -20.607 3.810) 20.956 27.919 ( 0.000 -2.172 -4.616) 5.102 27.919 ( 0.000 -2.172 4.616) 5.102 28.146 ( -0.000 -0.228 -3.063) 3.072 28.146 ( 0.000 -0.228 3.063) 3.072 28.772 ( 0.000 -9.837 -2.269) 10.095 28.772 ( -0.000 -9.837 2.269) 10.095 28.892 ( 0.000 -12.085 -3.785) 12.664 28.892 ( 0.000 -12.085 3.785) 12.664 29.002 ( 0.000 -0.801 -1.456) 1.662 29.002 ( -0.000 -0.801 1.456) 1.662 29.465 ( 0.000 -6.065 -0.649) 6.099 29.465 ( -0.000 -6.065 0.649) 6.099 30.005 ( 0.000 -3.822 -1.978) 4.303 30.005 ( 0.000 -3.822 1.978) 4.303 30.550 ( 0.000 -0.950 -1.293) 1.604 30.550 ( 0.000 -0.950 1.293) 1.604 30.596 ( 0.000 -1.177 -2.289) 2.573 30.596 ( -0.000 -1.177 2.289) 2.573 30.834 ( 0.000 -5.392 -2.314) 5.867 30.834 ( 0.000 -5.392 2.314) 5.867 31.313 ( -0.000 -7.550 -2.788) 8.048 31.313 ( 0.000 -7.550 2.788) 8.048 31.554 ( 0.000 -8.037 -11.706) 14.200 31.554 ( -0.000 -8.037 11.706) 14.200 31.693 ( 0.000 -14.967 -1.065) 15.005 31.693 ( 0.000 -14.967 1.065) 15.005 31.876 ( 0.000 -18.538 -11.672) 21.907 31.876 ( 0.000 -18.538 11.672) 21.907 32.247 ( 0.000 -10.652 -0.353) 10.658 32.247 ( 0.000 -10.652 0.353) 10.658 32.573 ( 0.000 -2.346 -3.879) 4.533 32.573 ( 0.000 -2.346 3.879) 4.533 33.227 ( 0.000 1.509 -7.725) 7.871 33.227 ( 0.000 1.509 7.725) 7.871 33.436 ( 0.000 3.552 -0.749) 3.630 33.436 ( 0.000 3.552 0.749) 3.630 34.255 ( -0.000 38.440 -17.353) 42.175 34.255 ( 0.000 38.440 17.353) 42.175 35.024 ( 0.000 37.092 -13.687) 39.537 35.024 ( -0.000 37.092 13.687) 39.537 ======================= Grid point 130 (43/54) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 13.333 -23.577) 27.086 1.944 ( 0.000 13.333 23.577) 27.086 1.989 ( 0.000 19.893 -18.591) 27.228 1.989 ( 0.000 19.893 18.591) 27.228 2.523 ( 0.000 2.816 -12.881) 13.185 2.523 ( 0.000 2.816 12.881) 13.185 2.653 ( 0.000 5.324 -9.474) 10.868 2.653 ( 0.000 5.324 9.474) 10.868 2.844 ( 0.000 2.139 -27.731) 27.814 2.844 ( 0.000 2.139 27.731) 27.814 2.992 ( 0.000 1.105 -3.883) 4.037 2.992 ( 0.000 1.105 3.883) 4.037 3.211 ( 0.000 -0.817 -4.031) 4.113 3.211 ( 0.000 -0.817 4.031) 4.113 3.277 ( 0.000 2.485 -2.980) 3.880 3.277 ( 0.000 2.485 2.980) 3.880 3.371 ( 0.000 0.275 -3.267) 3.278 3.371 ( 0.000 0.275 3.267) 3.278 3.510 ( 0.000 -0.291 -0.854) 0.902 3.510 ( 0.000 -0.291 0.854) 0.902 3.556 ( 0.000 7.270 -7.484) 10.434 3.556 ( 0.000 7.270 7.484) 10.434 3.875 ( 0.000 0.661 -5.619) 5.658 3.875 ( 0.000 0.661 5.619) 5.658 4.314 ( 0.000 -4.376 -7.955) 9.080 4.314 ( 0.000 -4.376 7.955) 9.080 4.433 ( 0.000 -1.214 -0.731) 1.417 4.433 ( 0.000 -1.214 0.731) 1.417 4.742 ( 0.000 -5.185 -2.174) 5.623 4.742 ( 0.000 -5.185 2.174) 5.623 5.045 ( 0.000 -6.227 -3.883) 7.338 5.045 ( 0.000 -6.227 3.883) 7.338 5.049 ( 0.000 0.839 -5.593) 5.656 5.049 ( 0.000 0.839 5.593) 5.656 5.824 ( 0.000 -1.951 -4.918) 5.290 5.824 ( 0.000 -1.951 4.918) 5.290 6.259 ( 0.000 1.373 -6.814) 6.951 6.259 ( 0.000 1.373 6.814) 6.951 6.674 ( 0.000 -8.820 -6.438) 10.919 6.674 ( 0.000 -8.820 6.438) 10.919 6.786 ( 0.000 -6.087 -21.213) 22.069 6.786 ( 0.000 -6.087 21.213) 22.069 6.883 ( 0.000 -2.906 -1.989) 3.522 6.883 ( 0.000 -2.906 1.989) 3.522 7.249 ( 0.000 -2.831 -5.283) 5.994 7.249 ( 0.000 -2.831 5.283) 5.994 7.368 ( 0.000 -1.824 -15.863) 15.967 7.368 ( 0.000 -1.824 15.863) 15.967 7.814 ( 0.000 2.545 -8.236) 8.620 7.814 ( 0.000 2.545 8.236) 8.620 7.846 ( 0.000 1.827 -15.222) 15.332 7.846 ( 0.000 1.827 15.222) 15.332 8.020 ( 0.000 7.445 -6.972) 10.200 8.020 ( 0.000 7.445 6.972) 10.200 8.270 ( 0.000 0.369 -12.385) 12.391 8.270 ( 0.000 0.369 12.385) 12.391 8.537 ( 0.000 -0.705 -7.945) 7.977 8.537 ( 0.000 -0.705 7.945) 7.977 8.567 ( 0.000 2.838 -3.880) 4.808 8.567 ( 0.000 2.838 3.880) 4.808 8.906 ( 0.000 0.072 -14.785) 14.785 8.906 ( 0.000 0.072 14.785) 14.785 9.266 ( 0.000 0.680 -4.992) 5.038 9.266 ( 0.000 0.680 4.992) 5.038 9.327 ( 0.000 -1.879 -3.960) 4.383 9.327 ( 0.000 -1.879 3.960) 4.383 9.830 ( 0.000 -1.021 -2.381) 2.591 9.830 ( 0.000 -1.021 2.381) 2.591 10.094 ( 0.000 -1.021 -7.256) 7.327 10.094 ( 0.000 -1.021 7.256) 7.327 10.345 ( 0.000 -0.697 -6.236) 6.275 10.345 ( 0.000 -0.697 6.236) 6.275 10.622 ( 0.000 -5.919 -13.610) 14.841 10.622 ( 0.000 -5.919 13.610) 14.841 10.744 ( 0.000 2.185 -13.505) 13.681 10.744 ( 0.000 2.185 13.505) 13.681 10.978 ( 0.000 -4.895 -7.167) 8.679 10.978 ( 0.000 -4.895 7.167) 8.679 11.194 ( 0.000 -2.688 -0.745) 2.790 11.194 ( 0.000 -2.688 0.745) 2.790 11.305 ( 0.000 -9.902 -6.186) 11.675 11.305 ( 0.000 -9.902 6.186) 11.675 11.712 ( 0.000 -4.303 -18.770) 19.257 11.712 ( 0.000 -4.303 18.770) 19.257 12.048 ( 0.000 3.179 -4.221) 5.284 12.048 ( 0.000 3.179 4.221) 5.284 12.068 ( 0.000 2.017 -9.152) 9.372 12.068 ( 0.000 2.017 9.152) 9.372 12.149 ( 0.000 -1.502 -2.657) 3.052 12.149 ( 0.000 -1.502 2.657) 3.052 12.324 ( 0.000 -2.490 -7.009) 7.438 12.324 ( 0.000 -2.490 7.009) 7.438 12.425 ( 0.000 1.960 -10.518) 10.699 12.425 ( 0.000 1.960 10.518) 10.699 12.448 ( 0.000 1.378 -9.741) 9.838 12.448 ( 0.000 1.378 9.741) 9.838 12.812 ( 0.000 0.040 -7.063) 7.063 12.812 ( 0.000 0.040 7.063) 7.063 13.012 ( 0.000 0.901 -8.417) 8.465 13.012 ( 0.000 0.901 8.417) 8.465 13.133 ( 0.000 3.057 -20.332) 20.561 13.133 ( 0.000 3.057 20.332) 20.561 13.230 ( 0.000 -0.551 -4.750) 4.782 13.230 ( 0.000 -0.551 4.750) 4.782 13.419 ( 0.000 -4.619 -11.244) 12.155 13.419 ( 0.000 -4.619 11.244) 12.155 13.721 ( 0.000 4.211 -7.970) 9.014 13.721 ( 0.000 4.211 7.970) 9.014 14.105 ( 0.000 -1.198 -7.114) 7.214 14.105 ( 0.000 -1.198 7.114) 7.214 14.647 ( 0.000 1.619 -20.143) 20.208 14.647 ( 0.000 1.619 20.143) 20.208 14.686 ( 0.000 -3.035 -13.693) 14.025 14.686 ( 0.000 -3.035 13.693) 14.025 15.041 ( 0.000 -0.848 -14.801) 14.826 15.041 ( 0.000 -0.848 14.801) 14.826 15.162 ( 0.000 2.201 -5.319) 5.756 15.162 ( 0.000 2.201 5.319) 5.756 15.813 ( 0.000 1.871 -12.127) 12.270 15.813 ( 0.000 1.871 12.127) 12.270 15.904 ( 0.000 3.474 -3.324) 4.808 15.904 ( 0.000 3.474 3.324) 4.808 16.032 ( 0.000 4.385 -14.191) 14.853 16.032 ( 0.000 4.385 14.191) 14.853 16.943 ( 0.000 0.238 -1.254) 1.276 16.943 ( 0.000 0.238 1.254) 1.276 16.990 ( 0.000 -2.666 -15.954) 16.175 16.990 ( 0.000 -2.666 15.954) 16.175 17.482 ( 0.000 1.439 -10.119) 10.221 17.482 ( 0.000 1.439 10.119) 10.221 17.733 ( 0.000 1.846 -7.033) 7.271 17.733 ( 0.000 1.846 7.033) 7.271 17.736 ( 0.000 -1.714 -18.358) 18.438 17.736 ( 0.000 -1.714 18.358) 18.438 18.046 ( 0.000 -0.330 -5.452) 5.462 18.046 ( 0.000 -0.330 5.452) 5.462 18.110 ( 0.000 -0.838 -4.744) 4.818 18.110 ( 0.000 -0.838 4.744) 4.818 18.289 ( 0.000 0.913 -3.421) 3.540 18.289 ( 0.000 0.913 3.421) 3.540 18.421 ( 0.000 2.356 -3.623) 4.322 18.421 ( 0.000 2.356 3.623) 4.322 18.753 ( 0.000 0.040 -7.853) 7.853 18.753 ( 0.000 0.040 7.853) 7.853 18.797 ( 0.000 0.298 -3.778) 3.790 18.797 ( 0.000 0.298 3.778) 3.790 19.371 ( 0.000 1.474 -3.583) 3.874 19.371 ( 0.000 1.474 3.583) 3.874 19.510 ( 0.000 1.264 -5.821) 5.956 19.510 ( 0.000 1.264 5.821) 5.956 20.015 ( 0.000 0.662 -0.922) 1.135 20.015 ( 0.000 0.662 0.922) 1.135 20.376 ( 0.000 -1.212 -2.023) 2.358 20.376 ( 0.000 -1.212 2.023) 2.358 20.521 ( 0.000 -5.269 -6.694) 8.519 20.521 ( 0.000 -5.269 6.694) 8.519 20.624 ( 0.000 -0.003 -9.390) 9.390 20.624 ( 0.000 -0.003 9.390) 9.390 20.762 ( 0.000 -0.324 -6.339) 6.347 20.762 ( 0.000 -0.324 6.339) 6.347 21.217 ( 0.000 0.367 -4.189) 4.205 21.217 ( 0.000 0.367 4.189) 4.205 21.220 ( 0.000 -4.305 -14.299) 14.933 21.220 ( 0.000 -4.305 14.299) 14.933 21.850 ( 0.000 -7.582 -14.346) 16.226 21.850 ( 0.000 -7.582 14.346) 16.226 22.335 ( 0.000 1.281 -1.760) 2.177 22.335 ( 0.000 1.281 1.760) 2.177 22.706 ( 0.000 -1.123 -14.952) 14.995 22.706 ( 0.000 -1.123 14.952) 14.995 22.786 ( 0.000 -2.727 -15.883) 16.116 22.786 ( 0.000 -2.727 15.883) 16.116 22.954 ( 0.000 1.064 -5.787) 5.884 22.954 ( 0.000 1.064 5.787) 5.884 23.472 ( 0.000 -0.641 -4.749) 4.792 23.472 ( 0.000 -0.641 4.749) 4.792 23.645 ( 0.000 0.173 -2.164) 2.171 23.645 ( 0.000 0.173 2.164) 2.171 23.897 ( 0.000 -10.470 -23.703) 25.912 23.897 ( 0.000 -10.470 23.703) 25.912 23.926 ( 0.000 0.254 -3.540) 3.549 23.926 ( 0.000 0.254 3.540) 3.549 24.271 ( 0.000 -0.269 -1.908) 1.927 24.271 ( 0.000 -0.269 1.908) 1.927 24.379 ( 0.000 -4.232 -7.411) 8.534 24.379 ( 0.000 -4.232 7.411) 8.534 25.030 ( 0.000 -2.623 -10.277) 10.607 25.030 ( 0.000 -2.623 10.277) 10.607 25.208 ( 0.000 -0.483 -11.010) 11.021 25.208 ( 0.000 -0.483 11.010) 11.021 25.339 ( 0.000 0.195 -23.931) 23.932 25.339 ( 0.000 0.195 23.931) 23.932 25.694 ( 0.000 -0.830 -3.651) 3.744 25.694 ( 0.000 -0.830 3.651) 3.744 26.276 ( 0.000 0.024 -0.763) 0.763 26.276 ( 0.000 0.024 0.763) 0.763 26.772 ( 0.000 -1.253 -22.007) 22.043 26.772 ( 0.000 -1.253 22.007) 22.043 27.651 ( 0.000 -1.617 -9.990) 10.120 27.651 ( 0.000 -1.617 9.990) 10.120 28.087 ( 0.000 -10.422 -14.333) 17.721 28.087 ( 0.000 -10.422 14.333) 17.721 28.097 ( 0.000 -10.825 -6.897) 12.835 28.097 ( 0.000 -10.825 6.897) 12.835 28.377 ( 0.000 -0.775 -4.653) 4.718 28.377 ( 0.000 -0.775 4.653) 4.718 28.662 ( 0.000 -7.246 -3.022) 7.851 28.662 ( 0.000 -7.246 3.022) 7.851 29.158 ( 0.000 -0.429 -17.787) 17.792 29.158 ( 0.000 -0.429 17.787) 17.792 29.241 ( 0.000 -3.987 -11.263) 11.948 29.241 ( 0.000 -3.987 11.263) 11.948 29.768 ( 0.000 -9.736 -8.408) 12.864 29.768 ( 0.000 -9.736 8.408) 12.864 30.550 ( 0.000 -2.534 -7.586) 7.998 30.550 ( 0.000 -2.534 7.586) 7.998 30.650 ( 0.000 -3.011 -0.047) 3.011 30.650 ( 0.000 -3.011 0.047) 3.011 30.792 ( 0.000 -11.633 -2.143) 11.829 30.792 ( 0.000 -11.633 2.143) 11.829 30.978 ( 0.000 0.651 -10.593) 10.613 30.978 ( 0.000 0.651 10.593) 10.613 31.248 ( 0.000 -8.812 -10.771) 13.916 31.248 ( 0.000 -8.812 10.771) 13.916 31.544 ( 0.000 -3.249 -9.731) 10.259 31.544 ( 0.000 -3.249 9.731) 10.259 31.618 ( 0.000 -11.631 -8.451) 14.377 31.618 ( 0.000 -11.631 8.451) 14.377 32.143 ( 0.000 -8.148 -8.552) 11.812 32.143 ( 0.000 -8.148 8.552) 11.812 32.972 ( 0.000 9.134 -16.496) 18.856 32.972 ( 0.000 9.134 16.496) 18.856 33.043 ( 0.000 -3.662 -12.373) 12.904 33.043 ( 0.000 -3.662 12.373) 12.904 33.395 ( 0.000 0.585 -4.447) 4.485 33.395 ( 0.000 0.585 4.447) 4.485 34.153 ( 0.000 6.431 -11.956) 13.576 34.153 ( 0.000 6.431 11.956) 13.576 36.299 ( 0.000 12.097 -59.420) 60.639 36.299 ( 0.000 12.097 59.420) 60.639 ======================= Grid point 132 (44/54) ======================= q-point: ( 0.25 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 4.854 14.743 -16.612) 22.735 1.974 ( 4.854 14.743 16.612) 22.735 2.098 ( 7.679 9.573 -21.246) 24.535 2.098 ( 7.679 9.573 21.246) 24.535 2.484 ( -5.204 4.613 -8.580) 11.044 2.484 ( -5.204 4.613 8.580) 11.044 2.661 ( 1.722 6.053 -5.992) 8.690 2.661 ( 1.722 6.053 5.992) 8.690 2.887 ( 0.401 0.542 -10.877) 10.898 2.887 ( 0.401 0.542 10.877) 10.898 3.060 ( 6.382 4.011 -4.625) 8.844 3.060 ( 6.382 4.011 4.625) 8.844 3.185 ( 1.750 3.056 -4.196) 5.478 3.185 ( 1.750 3.056 4.196) 5.478 3.320 ( 2.090 -0.962 -3.667) 4.329 3.320 ( 2.090 -0.962 3.667) 4.329 3.367 ( -0.271 1.577 -2.519) 2.985 3.367 ( -0.271 1.577 2.519) 2.985 3.489 ( -2.093 0.306 -1.385) 2.529 3.489 ( -2.093 0.306 1.385) 2.529 3.576 ( 3.440 5.612 -9.067) 11.204 3.576 ( 3.440 5.612 9.067) 11.204 3.887 ( 0.064 2.209 -5.707) 6.120 3.887 ( 0.064 2.209 5.707) 6.120 4.239 ( -10.668 1.164 -3.632) 11.329 4.239 ( -10.668 1.164 3.632) 11.329 4.388 ( -3.332 -1.256 -0.565) 3.606 4.388 ( -3.332 -1.256 0.565) 3.606 4.610 ( -1.779 -6.626 -2.988) 7.483 4.610 ( -1.779 -6.626 2.988) 7.483 4.933 ( -8.444 -6.609 -1.189) 10.788 4.933 ( -8.444 -6.609 1.189) 10.788 5.271 ( 11.666 -1.516 -2.532) 12.034 5.271 ( 11.666 -1.516 2.532) 12.034 5.763 ( -4.260 -1.999 -5.402) 7.164 5.763 ( -4.260 -1.999 5.402) 7.164 6.372 ( 7.318 -1.670 -1.105) 7.587 6.372 ( 7.318 -1.670 1.105) 7.587 6.583 ( -4.243 -7.732 -8.583) 12.307 6.583 ( -4.243 -7.732 8.583) 12.307 6.863 ( 9.924 -1.184 -8.709) 13.257 6.863 ( 9.924 -1.184 8.709) 13.257 7.049 ( -6.217 -2.360 -3.110) 7.341 7.049 ( -6.217 -2.360 3.110) 7.341 7.190 ( 11.083 -4.402 -10.502) 15.890 7.190 ( 11.083 -4.402 10.502) 15.890 7.398 ( 3.704 -0.437 -11.138) 11.746 7.398 ( 3.704 -0.437 11.138) 11.746 7.654 ( -5.307 0.785 -17.789) 18.580 7.654 ( -5.307 0.785 17.789) 18.580 7.958 ( -3.734 4.909 -2.274) 6.573 7.958 ( -3.734 4.909 2.274) 6.573 8.068 ( 6.976 0.920 -10.208) 12.398 8.068 ( 6.976 0.920 10.208) 12.398 8.187 ( -6.782 0.464 -6.184) 9.190 8.187 ( -6.782 0.464 6.184) 9.190 8.442 ( -3.181 2.772 -2.853) 5.093 8.442 ( -3.181 2.772 2.853) 5.093 8.711 ( -1.825 0.131 -12.446) 12.580 8.711 ( -1.825 0.131 12.446) 12.580 8.822 ( -2.952 1.196 -3.232) 4.537 8.822 ( -2.952 1.196 3.232) 4.537 9.056 ( -0.169 0.251 -3.575) 3.588 9.056 ( -0.169 0.251 3.575) 3.588 9.547 ( 7.435 -0.724 -4.624) 8.786 9.547 ( 7.435 -0.724 4.624) 8.786 9.946 ( -9.093 0.056 -4.810) 10.287 9.946 ( -9.093 0.056 4.810) 10.287 9.969 ( 1.633 -3.365 -8.957) 9.706 9.969 ( 1.633 -3.365 8.957) 9.706 10.210 ( -11.062 -5.204 -7.375) 14.277 10.210 ( -11.062 -5.204 7.375) 14.277 10.556 ( -0.422 -4.202 -3.821) 5.696 10.556 ( -0.422 -4.202 3.821) 5.696 10.710 ( -0.867 -1.774 -3.097) 3.673 10.710 ( -0.867 -1.774 3.097) 3.673 10.895 ( -3.460 -2.655 -12.186) 12.943 10.895 ( -3.460 -2.655 12.186) 12.943 11.185 ( -0.166 -2.348 -0.929) 2.531 11.185 ( -0.166 -2.348 0.929) 2.531 11.440 ( 5.190 -6.579 -2.124) 8.645 11.440 ( 5.190 -6.579 2.124) 8.645 11.652 ( -5.769 -1.619 -12.488) 13.851 11.652 ( -5.769 -1.619 12.488) 13.851 12.002 ( -1.643 0.638 -1.919) 2.606 12.002 ( -1.643 0.638 1.919) 2.606 12.095 ( 0.431 1.812 -7.428) 7.658 12.095 ( 0.431 1.812 7.428) 7.658 12.210 ( 1.317 -0.884 -2.480) 2.944 12.210 ( 1.317 -0.884 2.480) 2.944 12.302 ( 8.183 1.617 -2.579) 8.731 12.302 ( 8.183 1.617 2.579) 8.731 12.436 ( 2.022 1.302 -8.097) 8.446 12.436 ( 2.022 1.302 8.097) 8.446 12.523 ( 0.928 -2.510 -7.037) 7.529 12.523 ( 0.928 -2.510 7.037) 7.529 12.772 ( -4.345 1.557 -4.935) 6.757 12.772 ( -4.345 1.557 4.935) 6.757 12.982 ( -1.874 2.765 -13.707) 14.108 12.982 ( -1.874 2.765 13.707) 14.108 13.120 ( 0.239 0.897 -8.758) 8.807 13.120 ( 0.239 0.897 8.758) 8.807 13.294 ( 1.662 -4.689 -3.850) 6.291 13.294 ( 1.662 -4.689 3.850) 6.291 13.544 ( 10.993 1.791 -8.506) 14.015 13.544 ( 10.993 1.791 8.506) 14.015 13.838 ( 5.458 2.380 -5.978) 8.438 13.838 ( 5.458 2.380 5.978) 8.438 14.183 ( 10.982 -2.734 -7.694) 13.685 14.183 ( 10.982 -2.734 7.694) 13.685 14.513 ( -7.912 0.058 -15.563) 17.459 14.513 ( -7.912 0.058 15.563) 17.459 14.744 ( 0.868 -1.391 -8.797) 8.949 14.744 ( 0.868 -1.391 8.797) 8.949 15.038 ( -1.524 0.500 -6.815) 7.001 15.038 ( -1.524 0.500 6.815) 7.001 15.140 ( -0.160 2.075 -2.384) 3.164 15.140 ( -0.160 2.075 2.384) 3.164 15.706 ( -2.480 3.686 -9.198) 10.214 15.706 ( -2.480 3.686 9.198) 10.214 15.852 ( -5.504 3.157 -1.070) 6.435 15.852 ( -5.504 3.157 1.070) 6.435 16.145 ( 2.324 2.518 -5.586) 6.553 16.145 ( 2.324 2.518 5.586) 6.553 16.616 ( -14.944 -0.233 -1.394) 15.010 16.616 ( -14.944 -0.233 1.394) 15.010 16.962 ( -9.427 -1.085 -12.767) 15.907 16.962 ( -9.427 -1.085 12.767) 15.907 17.598 ( 7.893 -0.185 -4.756) 9.217 17.598 ( 7.893 -0.185 4.756) 9.217 17.679 ( -0.718 -0.993 -11.173) 11.240 17.679 ( -0.718 -0.993 11.173) 11.240 17.811 ( 1.617 0.624 -6.165) 6.404 17.811 ( 1.617 0.624 6.165) 6.404 18.025 ( -5.990 -1.581 -2.456) 6.664 18.025 ( -5.990 -1.581 2.456) 6.664 18.160 ( 9.237 0.932 -2.931) 9.735 18.160 ( 9.237 0.932 2.931) 9.735 18.318 ( 0.884 1.548 -2.472) 3.048 18.318 ( 0.884 1.548 2.472) 3.048 18.462 ( 3.084 1.807 -2.662) 4.457 18.462 ( 3.084 1.807 2.662) 4.457 18.742 ( 0.143 -0.937 -4.014) 4.124 18.742 ( 0.143 -0.937 4.014) 4.124 18.854 ( 3.726 1.035 -3.280) 5.071 18.854 ( 3.726 1.035 3.280) 5.071 19.459 ( 8.598 0.721 -3.741) 9.404 19.459 ( 8.598 0.721 3.741) 9.404 19.679 ( 15.959 1.321 -9.128) 18.432 19.679 ( 15.959 1.321 9.128) 18.432 19.961 ( -6.362 0.585 -1.510) 6.565 19.961 ( -6.362 0.585 1.510) 6.565 20.298 ( -8.994 -2.932 -5.615) 11.001 20.298 ( -8.994 -2.932 5.615) 11.001 20.408 ( -1.940 -0.935 -2.772) 3.510 20.408 ( -1.940 -0.935 2.772) 3.510 20.719 ( -1.385 -0.173 -1.133) 1.798 20.719 ( -1.385 -0.173 1.133) 1.798 20.779 ( 0.208 -1.619 -3.734) 4.075 20.779 ( 0.208 -1.619 3.734) 4.075 20.966 ( -5.858 -1.363 -3.779) 7.103 20.966 ( -5.858 -1.363 3.779) 7.103 21.233 ( -9.163 -4.145 -3.693) 10.714 21.233 ( -9.163 -4.145 3.693) 10.714 21.913 ( 7.240 -1.309 -2.381) 7.733 21.913 ( 7.240 -1.309 2.381) 7.733 22.404 ( -0.112 -3.183 -6.650) 7.373 22.404 ( -0.112 -3.183 6.650) 7.373 22.609 ( -5.000 -0.047 -10.460) 11.594 22.609 ( -5.000 -0.047 10.460) 11.594 22.799 ( 4.430 -1.418 -5.642) 7.312 22.799 ( 4.430 -1.418 5.642) 7.312 23.021 ( 4.766 0.693 -1.258) 4.978 23.021 ( 4.766 0.693 1.258) 4.978 23.435 ( -10.523 0.063 -13.064) 16.775 23.435 ( -10.523 0.063 13.064) 16.775 23.494 ( -4.350 -2.330 -2.596) 5.575 23.494 ( -4.350 -2.330 2.596) 5.575 23.780 ( -3.197 -1.879 -5.280) 6.452 23.780 ( -3.197 -1.879 5.280) 6.452 23.828 ( -7.718 -0.692 -2.390) 8.109 23.828 ( -7.718 -0.692 2.390) 8.109 24.323 ( 7.454 0.951 -6.958) 10.241 24.323 ( 7.454 0.951 6.958) 10.241 24.763 ( 8.154 -0.699 -11.150) 13.831 24.763 ( 8.154 -0.699 11.150) 13.831 24.935 ( -4.395 -2.569 -5.754) 7.683 24.935 ( -4.395 -2.569 5.754) 7.683 25.372 ( 31.571 -10.989 -3.813) 33.645 25.372 ( 31.571 -10.989 3.813) 33.645 25.580 ( 5.514 -0.623 -5.142) 7.566 25.580 ( 5.514 -0.623 5.142) 7.566 25.802 ( 16.047 -2.198 -10.296) 19.192 25.802 ( 16.047 -2.198 10.296) 19.192 26.301 ( 3.265 -0.193 -2.273) 3.983 26.301 ( 3.265 -0.193 2.273) 3.983 26.676 ( -9.200 -1.702 -22.387) 24.263 26.676 ( -9.200 -1.702 22.387) 24.263 27.451 ( -31.259 -14.471 -13.623) 37.042 27.451 ( -31.259 -14.471 13.623) 37.042 27.810 ( 2.010 -2.847 -8.160) 8.873 27.810 ( 2.010 -2.847 8.160) 8.873 28.206 ( -4.539 -3.255 -4.400) 7.110 28.206 ( -4.539 -3.255 4.400) 7.110 28.420 ( 3.450 -10.343 -1.457) 11.001 28.420 ( 3.450 -10.343 1.457) 11.001 28.716 ( 5.517 -3.946 -1.568) 6.962 28.716 ( 5.517 -3.946 1.568) 6.962 29.026 ( -4.767 -1.223 -4.693) 6.801 29.026 ( -4.767 -1.223 4.693) 6.801 29.378 ( 0.617 -6.308 -4.526) 7.788 29.378 ( 0.617 -6.308 4.526) 7.788 29.813 ( 7.434 -5.865 -2.473) 9.786 29.813 ( 7.434 -5.865 2.473) 9.786 30.527 ( -1.601 -3.376 -3.847) 5.362 30.527 ( -1.601 -3.376 3.847) 5.362 30.612 ( -3.832 -2.668 -2.555) 5.323 30.612 ( -3.832 -2.668 2.555) 5.323 30.748 ( -1.824 -5.568 -1.197) 5.980 30.748 ( -1.824 -5.568 1.197) 5.980 31.099 ( 8.113 -4.392 -4.182) 10.129 31.099 ( 8.113 -4.392 4.182) 10.129 31.216 ( -2.642 -12.922 -4.565) 13.957 31.216 ( -2.642 -12.922 4.565) 13.957 31.539 ( 0.877 -5.487 -2.486) 6.088 31.539 ( 0.877 -5.487 2.486) 6.088 31.664 ( 2.643 -6.295 -1.177) 6.928 31.664 ( 2.643 -6.295 1.177) 6.928 32.122 ( -2.019 -7.166 -6.713) 10.025 32.122 ( -2.019 -7.166 6.713) 10.025 32.689 ( -13.516 0.948 -8.725) 16.116 32.689 ( -13.516 0.948 8.725) 16.116 33.191 ( 3.551 -0.789 -7.644) 8.465 33.191 ( 3.551 -0.789 7.644) 8.465 33.453 ( 3.543 1.648 -2.611) 4.700 33.453 ( 3.543 1.648 2.611) 4.700 34.400 ( 23.358 10.466 -17.476) 30.993 34.400 ( 23.358 10.466 17.476) 30.993 36.009 ( -26.360 14.569 -47.958) 56.631 36.009 ( -26.360 14.569 47.958) 56.631 ======================= Grid point 134 (45/54) ======================= q-point: (-0.50 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 0.000 9.249 -9.576) 13.313 2.058 ( 0.000 9.249 9.576) 13.313 2.187 ( 0.000 2.230 -19.141) 19.271 2.187 ( 0.000 2.230 19.141) 19.271 2.418 ( -0.000 9.003 -9.892) 13.375 2.418 ( 0.000 9.003 9.892) 13.375 2.669 ( 0.000 10.559 -13.544) 17.174 2.669 ( -0.000 10.559 13.544) 17.174 2.855 ( -0.000 1.312 -1.535) 2.019 2.855 ( 0.000 1.312 1.535) 2.019 3.149 ( 0.000 3.253 -0.383) 3.276 3.149 ( -0.000 3.253 0.383) 3.276 3.257 ( 0.000 -1.205 -0.114) 1.210 3.257 ( 0.000 -1.205 0.114) 1.210 3.320 ( -0.000 0.903 -0.483) 1.024 3.320 ( -0.000 0.903 0.483) 1.024 3.371 ( 0.000 2.013 -0.352) 2.044 3.371 ( 0.000 2.013 0.352) 2.044 3.453 ( 0.000 3.061 -1.077) 3.245 3.453 ( 0.000 3.061 1.077) 3.245 3.705 ( 0.000 4.126 -11.924) 12.617 3.705 ( 0.000 4.126 11.924) 12.617 3.826 ( 0.000 4.412 -10.303) 11.208 3.826 ( -0.000 4.412 10.303) 11.208 4.056 ( 0.000 4.393 -1.073) 4.522 4.056 ( 0.000 4.393 1.073) 4.522 4.361 ( 0.000 -2.562 -1.853) 3.161 4.361 ( 0.000 -2.562 1.853) 3.161 4.657 ( 0.000 -7.396 -2.235) 7.726 4.657 ( 0.000 -7.396 2.235) 7.726 4.797 ( 0.000 -5.923 -1.759) 6.179 4.797 ( -0.000 -5.923 1.759) 6.179 5.390 ( 0.000 -2.487 -5.437) 5.979 5.390 ( 0.000 -2.487 5.437) 5.979 5.718 ( 0.000 -2.378 -2.619) 3.537 5.718 ( 0.000 -2.378 2.619) 3.537 6.433 ( 0.000 -9.254 -0.132) 9.255 6.433 ( 0.000 -9.254 0.132) 9.255 6.589 ( 0.000 -2.732 -8.353) 8.789 6.589 ( 0.000 -2.732 8.353) 8.789 6.845 ( -0.000 1.205 -6.604) 6.713 6.845 ( 0.000 1.205 6.604) 6.713 7.037 ( 0.000 2.319 -2.137) 3.153 7.037 ( 0.000 2.319 2.137) 3.153 7.426 ( -0.000 -3.496 -4.813) 5.949 7.426 ( -0.000 -3.496 4.813) 5.949 7.471 ( 0.000 -1.363 -19.630) 19.677 7.471 ( 0.000 -1.363 19.630) 19.677 7.607 ( -0.000 -2.344 -5.889) 6.338 7.607 ( -0.000 -2.344 5.889) 6.338 7.852 ( 0.000 1.187 -0.557) 1.311 7.852 ( 0.000 1.187 0.557) 1.311 8.087 ( 0.000 4.161 -2.714) 4.968 8.087 ( 0.000 4.161 2.714) 4.968 8.142 ( 0.000 0.390 -2.564) 2.594 8.142 ( 0.000 0.390 2.564) 2.594 8.427 ( 0.000 1.618 -6.679) 6.872 8.427 ( -0.000 1.618 6.679) 6.872 8.523 ( 0.000 4.300 -0.251) 4.307 8.523 ( 0.000 4.300 0.251) 4.307 8.954 ( -0.000 -2.671 -7.267) 7.742 8.954 ( -0.000 -2.671 7.267) 7.742 9.081 ( 0.000 -1.269 -11.177) 11.249 9.081 ( 0.000 -1.269 11.177) 11.249 9.627 ( 0.000 -2.783 -6.519) 7.088 9.627 ( 0.000 -2.783 6.519) 7.088 9.689 ( -0.000 -0.743 -6.782) 6.822 9.689 ( -0.000 -0.743 6.782) 6.822 9.962 ( -0.000 -2.635 -7.173) 7.642 9.962 ( -0.000 -2.635 7.173) 7.642 10.157 ( 0.000 -3.587 -1.507) 3.890 10.157 ( 0.000 -3.587 1.507) 3.890 10.612 ( 0.000 -1.441 -2.498) 2.884 10.612 ( 0.000 -1.441 2.498) 2.884 10.704 ( -0.000 -3.276 -6.415) 7.203 10.704 ( -0.000 -3.276 6.415) 7.203 10.862 ( 0.000 -5.439 -5.197) 7.523 10.862 ( 0.000 -5.439 5.197) 7.523 11.181 ( 0.000 -2.126 -2.356) 3.173 11.181 ( -0.000 -2.126 2.356) 3.173 11.442 ( 0.000 -2.384 -4.737) 5.303 11.442 ( 0.000 -2.384 4.737) 5.303 11.601 ( 0.000 -1.313 -5.569) 5.721 11.601 ( 0.000 -1.313 5.569) 5.721 11.970 ( 0.000 -1.207 -4.706) 4.859 11.970 ( 0.000 -1.207 4.706) 4.859 12.092 ( 0.000 3.060 -4.276) 5.258 12.092 ( 0.000 3.060 4.276) 5.258 12.286 ( 0.000 -0.019 -0.377) 0.377 12.286 ( 0.000 -0.019 0.377) 0.377 12.378 ( 0.000 -1.182 -9.915) 9.985 12.378 ( -0.000 -1.182 9.915) 9.985 12.492 ( 0.000 -0.824 -0.713) 1.090 12.492 ( 0.000 -0.824 0.713) 1.090 12.534 ( 0.000 0.656 -2.903) 2.977 12.534 ( 0.000 0.656 2.903) 2.977 12.685 ( -0.000 1.876 -0.611) 1.973 12.685 ( 0.000 1.876 0.611) 1.973 12.963 ( 0.000 4.872 -4.177) 6.417 12.963 ( 0.000 4.872 4.177) 6.417 13.117 ( 0.000 -3.767 -6.015) 7.097 13.117 ( 0.000 -3.767 6.015) 7.097 13.322 ( 0.000 -1.632 -2.839) 3.274 13.322 ( -0.000 -1.632 2.839) 3.274 13.654 ( -0.000 3.712 -2.186) 4.308 13.654 ( 0.000 3.712 2.186) 4.308 13.886 ( 0.000 0.274 -2.300) 2.317 13.886 ( 0.000 0.274 2.300) 2.317 14.318 ( 0.000 -3.699 -4.278) 5.656 14.318 ( 0.000 -3.699 4.278) 5.656 14.471 ( 0.000 0.361 -1.990) 2.022 14.471 ( -0.000 0.361 1.990) 2.022 14.737 ( 0.000 -1.218 -2.880) 3.127 14.737 ( 0.000 -1.218 2.880) 3.127 14.994 ( -0.000 0.850 -1.273) 1.531 14.994 ( 0.000 0.850 1.273) 1.531 15.169 ( -0.000 3.526 -1.865) 3.989 15.169 ( 0.000 3.526 1.865) 3.989 15.661 ( 0.000 3.581 -9.976) 10.599 15.661 ( 0.000 3.581 9.976) 10.599 15.866 ( 0.000 2.208 -1.099) 2.466 15.866 ( 0.000 2.208 1.099) 2.466 16.049 ( -0.000 1.075 -5.559) 5.662 16.049 ( 0.000 1.075 5.559) 5.662 16.492 ( 0.000 0.391 -2.680) 2.708 16.492 ( 0.000 0.391 2.680) 2.708 16.848 ( 0.000 -0.226 -2.308) 2.319 16.848 ( 0.000 -0.226 2.308) 2.319 17.670 ( 0.000 -1.210 -4.667) 4.822 17.670 ( 0.000 -1.210 4.667) 4.822 17.728 ( -0.000 -1.368 -8.677) 8.784 17.728 ( 0.000 -1.368 8.677) 8.784 17.800 ( 0.000 -0.523 -3.817) 3.852 17.800 ( -0.000 -0.523 3.817) 3.852 17.925 ( -0.000 -0.141 -6.555) 6.556 17.925 ( -0.000 -0.141 6.555) 6.556 18.288 ( -0.000 1.639 -1.259) 2.067 18.288 ( -0.000 1.639 1.259) 2.067 18.319 ( 0.000 2.282 -4.591) 5.127 18.319 ( 0.000 2.282 4.591) 5.127 18.495 ( 0.000 1.180 -0.687) 1.366 18.495 ( 0.000 1.180 0.687) 1.366 18.747 ( 0.000 -2.095 -0.178) 2.103 18.747 ( 0.000 -2.095 0.178) 2.103 18.899 ( 0.000 1.775 -4.072) 4.443 18.899 ( 0.000 1.775 4.072) 4.443 19.629 ( -0.000 -0.876 -0.109) 0.883 19.629 ( 0.000 -0.876 0.109) 0.883 19.783 ( 0.000 0.741 -0.129) 0.753 19.783 ( 0.000 0.741 0.129) 0.753 19.991 ( -0.000 1.272 -1.728) 2.145 19.991 ( 0.000 1.272 1.728) 2.145 20.164 ( 0.000 -0.434 -4.659) 4.679 20.164 ( -0.000 -0.434 4.659) 4.679 20.364 ( 0.000 -0.933 -0.394) 1.013 20.364 ( -0.000 -0.933 0.394) 1.013 20.556 ( 0.000 -3.522 -1.488) 3.823 20.556 ( 0.000 -3.522 1.488) 3.823 20.921 ( 0.000 -0.525 -1.616) 1.699 20.921 ( 0.000 -0.525 1.616) 1.699 20.977 ( 0.000 -2.007 -5.475) 5.831 20.977 ( 0.000 -2.007 5.475) 5.831 21.015 ( -0.000 -0.452 -0.996) 1.094 21.015 ( -0.000 -0.452 0.996) 1.094 22.020 ( -0.000 -2.596 -3.623) 4.457 22.020 ( -0.000 -2.596 3.623) 4.457 22.328 ( 0.000 -0.641 -2.891) 2.961 22.328 ( 0.000 -0.641 2.891) 2.961 22.586 ( 0.000 -1.248 -0.699) 1.431 22.586 ( 0.000 -1.248 0.699) 1.431 22.918 ( 0.000 -0.959 -0.722) 1.200 22.918 ( 0.000 -0.959 0.722) 1.200 23.079 ( -0.000 0.033 -4.104) 4.104 23.079 ( -0.000 0.033 4.104) 4.104 23.236 ( 0.000 -0.039 -4.363) 4.363 23.236 ( 0.000 -0.039 4.363) 4.363 23.481 ( 0.000 -1.687 -0.107) 1.691 23.481 ( 0.000 -1.687 0.107) 1.691 23.740 ( 0.000 -1.199 -1.889) 2.237 23.740 ( 0.000 -1.199 1.889) 2.237 23.757 ( -0.000 -0.112 -0.788) 0.796 23.757 ( 0.000 -0.112 0.788) 0.796 24.410 ( 0.000 1.998 -1.286) 2.376 24.410 ( -0.000 1.998 1.286) 2.376 24.742 ( 0.000 2.532 -0.552) 2.592 24.742 ( 0.000 2.532 0.552) 2.592 24.948 ( 0.000 -2.717 -1.491) 3.099 24.948 ( 0.000 -2.717 1.491) 3.099 25.575 ( 0.000 0.028 -0.549) 0.550 25.575 ( 0.000 0.028 0.549) 0.550 25.918 ( 0.000 -11.210 -4.671) 12.144 25.918 ( 0.000 -11.210 4.671) 12.144 26.043 ( 0.000 -4.717 -6.398) 7.949 26.043 ( 0.000 -4.717 6.398) 7.949 26.437 ( -0.000 -0.741 -16.625) 16.642 26.437 ( 0.000 -0.741 16.625) 16.642 26.523 ( 0.000 -1.710 -5.987) 6.226 26.523 ( 0.000 -1.710 5.987) 6.226 26.888 ( 0.000 -23.848 -3.039) 24.041 26.888 ( 0.000 -23.848 3.039) 24.041 27.891 ( 0.000 -0.911 -6.593) 6.655 27.891 ( 0.000 -0.911 6.593) 6.655 28.118 ( 0.000 -2.350 -1.495) 2.785 28.118 ( 0.000 -2.350 1.495) 2.785 28.446 ( 0.000 -15.461 -1.359) 15.521 28.446 ( 0.000 -15.461 1.359) 15.521 28.803 ( 0.000 -2.146 -0.546) 2.215 28.803 ( 0.000 -2.146 0.546) 2.215 28.981 ( 0.000 -1.282 -2.714) 3.002 28.981 ( -0.000 -1.282 2.714) 3.002 29.328 ( -0.000 -7.024 -0.947) 7.088 29.328 ( -0.000 -7.024 0.947) 7.088 29.939 ( 0.000 -2.832 -1.891) 3.406 29.939 ( 0.000 -2.832 1.891) 3.406 30.531 ( -0.000 -2.427 -0.894) 2.587 30.531 ( -0.000 -2.427 0.894) 2.587 30.532 ( 0.000 -3.919 -1.480) 4.189 30.532 ( 0.000 -3.919 1.480) 4.189 30.732 ( 0.000 -3.588 -0.953) 3.712 30.732 ( 0.000 -3.588 0.953) 3.712 31.171 ( 0.000 -17.732 -3.180) 18.015 31.171 ( 0.000 -17.732 3.180) 18.015 31.206 ( -0.000 -4.620 -2.001) 5.035 31.206 ( -0.000 -4.620 2.001) 5.035 31.559 ( 0.000 -5.504 -0.082) 5.505 31.559 ( 0.000 -5.504 0.082) 5.505 31.690 ( 0.000 -3.995 -2.749) 4.850 31.690 ( 0.000 -3.995 2.749) 4.850 32.090 ( 0.000 -5.657 -0.196) 5.660 32.090 ( 0.000 -5.657 0.196) 5.660 32.550 ( 0.000 -2.005 -0.967) 2.226 32.550 ( 0.000 -2.005 0.967) 2.226 33.219 ( 0.000 -1.565 -4.992) 5.231 33.219 ( 0.000 -1.565 4.992) 5.231 33.486 ( 0.000 1.520 -2.624) 3.032 33.486 ( 0.000 1.520 2.624) 3.032 34.787 ( -0.000 13.729 -22.039) 25.966 34.787 ( 0.000 13.729 22.039) 25.966 35.587 ( 0.000 16.721 -16.838) 23.730 35.587 ( -0.000 16.721 16.838) 23.730 ======================= Grid point 140 (46/54) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 9.603 -13.604) 16.652 2.177 ( 0.000 9.603 13.604) 16.652 2.316 ( 0.000 11.309 -12.774) 17.061 2.316 ( 0.000 11.309 12.774) 17.061 2.611 ( 0.000 6.405 -10.191) 12.036 2.611 ( 0.000 6.405 10.191) 12.036 2.811 ( 0.000 10.076 -4.401) 10.996 2.811 ( 0.000 10.076 4.401) 10.996 2.965 ( 0.000 10.573 -13.388) 17.059 2.965 ( 0.000 10.573 13.388) 17.059 3.011 ( 0.000 0.668 -5.608) 5.648 3.011 ( 0.000 0.668 5.608) 5.648 3.181 ( 0.000 -1.068 -4.159) 4.294 3.181 ( 0.000 -1.068 4.159) 4.294 3.336 ( 0.000 3.320 -4.515) 5.604 3.336 ( 0.000 3.320 4.515) 5.604 3.388 ( 0.000 0.085 -3.492) 3.493 3.388 ( 0.000 0.085 3.492) 3.493 3.519 ( 0.000 1.312 -0.305) 1.347 3.519 ( 0.000 1.312 0.305) 1.347 3.730 ( 0.000 10.097 -5.592) 11.542 3.730 ( 0.000 10.097 5.592) 11.542 3.860 ( 0.000 -1.990 -6.510) 6.808 3.860 ( 0.000 -1.990 6.510) 6.808 4.216 ( 0.000 -4.434 -6.079) 7.524 4.216 ( 0.000 -4.434 6.079) 7.524 4.366 ( 0.000 -5.557 -1.551) 5.770 4.366 ( 0.000 -5.557 1.551) 5.770 4.623 ( 0.000 -6.539 -3.793) 7.560 4.623 ( 0.000 -6.539 3.793) 7.560 4.931 ( 0.000 -4.840 -7.438) 8.874 4.931 ( 0.000 -4.840 7.438) 8.874 5.075 ( 0.000 1.214 -4.758) 4.910 5.075 ( 0.000 1.214 4.758) 4.910 5.781 ( 0.000 -2.309 -3.925) 4.554 5.781 ( 0.000 -2.309 3.925) 4.554 6.277 ( 0.000 0.346 -9.046) 9.053 6.277 ( 0.000 0.346 9.046) 9.053 6.472 ( 0.000 -10.963 -1.860) 11.120 6.472 ( 0.000 -10.963 1.860) 11.120 6.686 ( 0.000 -4.208 -19.091) 19.550 6.686 ( 0.000 -4.208 19.091) 19.550 6.828 ( 0.000 -2.526 -1.750) 3.074 6.828 ( 0.000 -2.526 1.750) 3.074 7.169 ( 0.000 -4.937 -8.454) 9.790 7.169 ( 0.000 -4.937 8.454) 9.790 7.317 ( 0.000 -3.259 -18.077) 18.368 7.317 ( 0.000 -3.259 18.077) 18.368 7.832 ( 0.000 0.035 -10.154) 10.154 7.832 ( 0.000 0.035 10.154) 10.154 7.887 ( 0.000 2.258 -14.370) 14.546 7.887 ( 0.000 2.258 14.370) 14.546 8.143 ( 0.000 2.506 -5.259) 5.826 8.143 ( 0.000 2.506 5.259) 5.826 8.256 ( 0.000 -0.797 -3.041) 3.144 8.256 ( 0.000 -0.797 3.041) 3.144 8.521 ( 0.000 -0.896 -6.919) 6.977 8.521 ( 0.000 -0.896 6.919) 6.977 8.596 ( 0.000 -0.228 -1.315) 1.335 8.596 ( 0.000 -0.228 1.315) 1.335 8.908 ( 0.000 0.255 -15.400) 15.402 8.908 ( 0.000 0.255 15.400) 15.402 9.268 ( 0.000 -0.464 -5.850) 5.868 9.268 ( 0.000 -0.464 5.850) 5.868 9.297 ( 0.000 -0.382 -3.093) 3.116 9.297 ( 0.000 -0.382 3.093) 3.116 9.808 ( 0.000 -1.148 -1.844) 2.172 9.808 ( 0.000 -1.148 1.844) 2.172 10.051 ( 0.000 -2.652 -6.078) 6.631 10.051 ( 0.000 -2.652 6.078) 6.631 10.335 ( 0.000 -0.320 -7.225) 7.232 10.335 ( 0.000 -0.320 7.225) 7.232 10.502 ( 0.000 -5.910 -10.973) 12.463 10.502 ( 0.000 -5.910 10.973) 12.463 10.782 ( 0.000 1.450 -14.690) 14.761 10.782 ( 0.000 1.450 14.690) 14.761 10.877 ( 0.000 -5.007 -8.277) 9.674 10.877 ( 0.000 -5.007 8.277) 9.674 11.096 ( 0.000 -10.259 -5.254) 11.526 11.096 ( 0.000 -10.259 5.254) 11.526 11.156 ( 0.000 -1.250 -1.185) 1.722 11.156 ( 0.000 -1.250 1.185) 1.722 11.648 ( 0.000 -2.255 -17.148) 17.296 11.648 ( 0.000 -2.255 17.148) 17.296 12.068 ( 0.000 -2.160 -9.389) 9.635 12.068 ( 0.000 -2.160 9.389) 9.635 12.077 ( 0.000 -1.060 -4.697) 4.815 12.077 ( 0.000 -1.060 4.697) 4.815 12.141 ( 0.000 1.616 -4.187) 4.488 12.141 ( 0.000 1.616 4.187) 4.488 12.306 ( 0.000 1.111 -5.328) 5.443 12.306 ( 0.000 1.111 5.328) 5.443 12.450 ( 0.000 0.613 -14.608) 14.621 12.450 ( 0.000 0.613 14.608) 14.621 12.474 ( 0.000 1.133 -13.805) 13.852 12.474 ( 0.000 1.133 13.805) 13.852 12.826 ( 0.000 1.400 -5.486) 5.661 12.826 ( 0.000 1.400 5.486) 5.661 13.005 ( 0.000 -1.957 -7.560) 7.809 13.005 ( 0.000 -1.957 7.560) 7.809 13.186 ( 0.000 2.251 -17.265) 17.411 13.186 ( 0.000 2.251 17.265) 17.411 13.199 ( 0.000 -2.675 -4.932) 5.610 13.199 ( 0.000 -2.675 4.932) 5.610 13.351 ( 0.000 -1.642 -7.341) 7.523 13.351 ( 0.000 -1.642 7.341) 7.523 13.791 ( 0.000 2.642 -8.546) 8.946 13.791 ( 0.000 2.642 8.546) 8.946 14.101 ( 0.000 0.884 -9.518) 9.559 14.101 ( 0.000 0.884 9.518) 9.559 14.622 ( 0.000 -3.251 -17.857) 18.151 14.622 ( 0.000 -3.251 17.857) 18.151 14.679 ( 0.000 1.543 -19.976) 20.035 14.679 ( 0.000 1.543 19.976) 20.035 15.019 ( 0.000 -1.343 -13.786) 13.851 15.019 ( 0.000 -1.343 13.786) 13.851 15.203 ( 0.000 1.897 -6.419) 6.693 15.203 ( 0.000 1.897 6.419) 6.693 15.848 ( 0.000 1.618 -13.313) 13.411 15.848 ( 0.000 1.618 13.313) 13.411 15.947 ( 0.000 0.849 -1.655) 1.860 15.947 ( 0.000 0.849 1.655) 1.860 16.117 ( 0.000 4.056 -15.126) 15.661 16.117 ( 0.000 4.056 15.126) 15.661 16.941 ( 0.000 -2.201 -14.219) 14.389 16.941 ( 0.000 -2.201 14.219) 14.389 16.948 ( 0.000 0.278 -2.774) 2.788 16.948 ( 0.000 0.278 2.774) 2.788 17.506 ( 0.000 0.947 -14.333) 14.364 17.506 ( 0.000 0.947 14.333) 14.364 17.702 ( 0.000 -1.555 -18.679) 18.744 17.702 ( 0.000 -1.555 18.679) 18.744 17.777 ( 0.000 2.455 -8.665) 9.006 17.777 ( 0.000 2.455 8.665) 9.006 18.041 ( 0.000 -0.139 -4.242) 4.244 18.041 ( 0.000 -0.139 4.242) 4.244 18.088 ( 0.000 -1.364 -5.006) 5.189 18.088 ( 0.000 -1.364 5.006) 5.189 18.305 ( 0.000 0.632 -2.963) 3.029 18.305 ( 0.000 0.632 2.963) 3.029 18.465 ( 0.000 2.014 -2.477) 3.192 18.465 ( 0.000 2.014 2.477) 3.192 18.756 ( 0.000 0.229 -8.175) 8.178 18.756 ( 0.000 0.229 8.175) 8.178 18.805 ( 0.000 0.500 -4.434) 4.462 18.805 ( 0.000 0.500 4.434) 4.462 19.402 ( 0.000 1.597 -4.009) 4.315 19.402 ( 0.000 1.597 4.009) 4.315 19.531 ( 0.000 0.817 -7.212) 7.258 19.531 ( 0.000 0.817 7.212) 7.258 20.028 ( 0.000 0.661 -1.161) 1.336 20.028 ( 0.000 0.661 1.161) 1.336 20.345 ( 0.000 -2.018 -4.892) 5.292 20.345 ( 0.000 -2.018 4.892) 5.292 20.425 ( 0.000 -3.889 -6.930) 7.947 20.425 ( 0.000 -3.889 6.930) 7.947 20.625 ( 0.000 0.095 -8.544) 8.545 20.625 ( 0.000 0.095 8.544) 8.545 20.754 ( 0.000 -0.476 -6.340) 6.358 20.754 ( 0.000 -0.476 6.340) 6.358 21.137 ( 0.000 -3.732 -14.611) 15.080 21.137 ( 0.000 -3.732 14.611) 15.080 21.224 ( 0.000 0.321 -3.774) 3.788 21.224 ( 0.000 0.321 3.774) 3.788 21.739 ( 0.000 -3.512 -12.334) 12.825 21.739 ( 0.000 -3.512 12.334) 12.825 22.360 ( 0.000 1.143 -2.550) 2.794 22.360 ( 0.000 1.143 2.550) 2.794 22.690 ( 0.000 -0.338 -12.309) 12.313 22.690 ( 0.000 -0.338 12.309) 12.313 22.749 ( 0.000 -1.039 -16.207) 16.241 22.749 ( 0.000 -1.039 16.207) 16.241 22.985 ( 0.000 1.956 -4.371) 4.789 22.985 ( 0.000 1.956 4.371) 4.789 23.464 ( 0.000 -0.165 -4.091) 4.094 23.464 ( 0.000 -0.165 4.091) 4.094 23.624 ( 0.000 -2.095 -17.079) 17.207 23.624 ( 0.000 -2.095 17.079) 17.207 23.787 ( 0.000 -0.998 -10.138) 10.187 23.787 ( 0.000 -0.998 10.138) 10.187 23.935 ( 0.000 0.609 -3.560) 3.612 23.935 ( 0.000 0.609 3.560) 3.612 24.267 ( 0.000 -0.208 -1.974) 1.985 24.267 ( 0.000 -0.208 1.974) 1.985 24.336 ( 0.000 -0.863 -7.991) 8.037 24.336 ( 0.000 -0.863 7.991) 8.037 25.026 ( 0.000 1.220 -14.819) 14.869 25.026 ( 0.000 1.220 14.819) 14.869 25.205 ( 0.000 0.100 -12.400) 12.400 25.205 ( 0.000 0.100 12.400) 12.400 25.343 ( 0.000 0.229 -23.536) 23.537 25.343 ( 0.000 0.229 23.536) 23.537 25.684 ( 0.000 -0.300 -2.290) 2.309 25.684 ( 0.000 -0.300 2.290) 2.309 26.276 ( 0.000 0.019 -0.873) 0.873 26.276 ( 0.000 0.019 0.873) 0.873 26.741 ( 0.000 -1.669 -20.952) 21.019 26.741 ( 0.000 -1.669 20.952) 21.019 27.600 ( 0.000 -3.770 -9.180) 9.924 27.600 ( 0.000 -3.770 9.180) 9.924 27.898 ( 0.000 -8.279 -2.567) 8.668 27.898 ( 0.000 -8.279 2.567) 8.668 27.920 ( 0.000 -6.734 -10.222) 12.241 27.920 ( 0.000 -6.734 10.222) 12.241 28.362 ( 0.000 -0.734 -3.930) 3.998 28.362 ( 0.000 -0.734 3.930) 3.998 28.509 ( 0.000 -7.725 -5.496) 9.480 28.509 ( 0.000 -7.725 5.496) 9.480 29.149 ( 0.000 -0.419 -17.807) 17.812 29.149 ( 0.000 -0.419 17.807) 17.812 29.176 ( 0.000 -2.693 -10.950) 11.276 29.176 ( 0.000 -2.693 10.950) 11.276 29.601 ( 0.000 -6.734 -7.863) 10.353 29.601 ( 0.000 -6.734 7.863) 10.353 30.477 ( 0.000 -5.457 -3.966) 6.746 30.477 ( 0.000 -5.457 3.966) 6.746 30.594 ( 0.000 -6.813 -7.736) 10.308 30.594 ( 0.000 -6.813 7.736) 10.308 30.604 ( 0.000 -1.748 -1.539) 2.329 30.604 ( 0.000 -1.748 1.539) 2.329 30.983 ( 0.000 -0.115 -11.657) 11.657 30.983 ( 0.000 -0.115 11.657) 11.657 31.111 ( 0.000 -5.441 -8.642) 10.212 31.111 ( 0.000 -5.441 8.642) 10.212 31.449 ( 0.000 -6.159 -4.953) 7.903 31.449 ( 0.000 -6.159 4.953) 7.903 31.496 ( 0.000 -1.971 -12.883) 13.033 31.496 ( 0.000 -1.971 12.883) 13.033 32.010 ( 0.000 -5.377 -5.891) 7.976 32.010 ( 0.000 -5.377 5.891) 7.976 32.959 ( 0.000 -4.625 -14.509) 15.228 32.959 ( 0.000 -4.625 14.509) 15.228 33.059 ( 0.000 0.295 -17.574) 17.577 33.059 ( 0.000 0.295 17.574) 17.577 33.395 ( 0.000 -0.487 -4.002) 4.032 33.395 ( 0.000 -0.487 4.002) 4.032 34.215 ( 0.000 0.093 -11.712) 11.713 34.215 ( 0.000 0.093 11.712) 11.713 36.256 ( 0.000 -12.193 -46.429) 48.004 36.256 ( 0.000 -12.193 46.429) 48.004 ======================= Grid point 142 (47/54) ======================= q-point: ( 0.25 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 2.043 6.247 -12.532) 14.151 2.202 ( 2.043 6.247 12.532) 14.151 2.304 ( -0.929 12.434 -9.305) 15.558 2.304 ( -0.929 12.434 9.305) 15.558 2.613 ( 0.497 7.833 -9.596) 12.397 2.613 ( 0.497 7.833 9.596) 12.397 2.816 ( -1.985 8.087 -5.308) 9.875 2.816 ( -1.985 8.087 5.308) 9.875 2.941 ( 2.705 5.461 -0.714) 6.136 2.941 ( 2.705 5.461 0.714) 6.136 3.102 ( 4.967 1.162 -1.432) 5.298 3.102 ( 4.967 1.162 1.432) 5.298 3.282 ( 5.529 4.023 -4.750) 8.326 3.282 ( 5.529 4.023 4.750) 8.326 3.310 ( 0.088 2.306 -4.755) 5.286 3.310 ( 0.088 2.306 4.755) 5.286 3.394 ( 0.186 0.614 -2.955) 3.024 3.394 ( 0.186 0.614 2.955) 3.024 3.510 ( -0.353 1.637 -0.991) 1.945 3.510 ( -0.353 1.637 0.991) 1.945 3.711 ( 1.080 6.949 -7.207) 10.070 3.711 ( 1.080 6.949 7.207) 10.070 3.920 ( 3.227 1.645 -4.998) 6.172 3.920 ( 3.227 1.645 4.998) 6.172 4.189 ( -4.361 -4.546 -4.813) 7.928 4.189 ( -4.361 -4.546 4.813) 7.928 4.374 ( 0.426 -2.413 -3.381) 4.176 4.374 ( 0.426 -2.413 3.381) 4.176 4.507 ( -6.219 -2.517 -1.497) 6.874 4.507 ( -6.219 -2.517 1.497) 6.874 4.795 ( -8.778 -6.691 -1.079) 11.090 4.795 ( -8.778 -6.691 1.079) 11.090 5.242 ( 9.419 -1.610 -1.957) 9.754 5.242 ( 9.419 -1.610 1.957) 9.754 5.714 ( -5.047 -2.802 -4.545) 7.348 5.714 ( -5.047 -2.802 4.545) 7.348 6.290 ( -3.158 -6.839 -1.310) 7.646 6.290 ( -3.158 -6.839 1.310) 7.646 6.468 ( 4.174 -3.438 -10.738) 12.023 6.468 ( 4.174 -3.438 10.738) 12.023 6.822 ( 14.086 -2.789 -8.324) 16.598 6.822 ( 14.086 -2.789 8.324) 16.598 6.987 ( 0.027 -3.965 -1.372) 4.196 6.987 ( 0.027 -3.965 1.372) 4.196 7.104 ( 6.416 -3.843 -8.251) 11.136 7.104 ( 6.416 -3.843 8.251) 11.136 7.356 ( 3.692 -3.417 -13.038) 13.974 7.356 ( 3.692 -3.417 13.038) 13.974 7.650 ( -7.849 -0.715 -18.380) 19.999 7.650 ( -7.849 -0.715 18.380) 19.999 8.017 ( -3.586 0.334 -3.738) 5.191 8.017 ( -3.586 0.334 3.738) 5.191 8.088 ( 0.022 0.773 -7.272) 7.313 8.088 ( 0.022 0.773 7.272) 7.313 8.206 ( -2.584 1.346 -5.390) 6.127 8.206 ( -2.584 1.346 5.390) 6.127 8.469 ( -2.450 -0.039 -3.817) 4.536 8.469 ( -2.450 -0.039 3.817) 4.536 8.686 ( 3.320 -2.395 -10.929) 11.671 8.686 ( 3.320 -2.395 10.929) 11.671 8.873 ( -7.450 3.535 -2.649) 8.661 8.873 ( -7.450 3.535 2.649) 8.661 9.053 ( -0.640 -0.366 -3.436) 3.514 9.053 ( -0.640 -0.366 3.436) 3.514 9.527 ( 7.265 -1.240 -4.902) 8.851 9.527 ( 7.265 -1.240 4.902) 8.851 9.875 ( -14.137 -4.614 -11.160) 18.592 9.875 ( -14.137 -4.614 11.160) 18.592 9.950 ( 2.120 -0.114 -1.024) 2.357 9.950 ( 2.120 -0.114 1.024) 2.357 10.108 ( -9.534 -4.892 -7.511) 13.086 10.108 ( -9.534 -4.892 7.511) 13.086 10.478 ( 1.514 -3.644 -2.600) 4.726 10.478 ( 1.514 -3.644 2.600) 4.726 10.674 ( -2.465 -1.881 -3.012) 4.323 10.674 ( -2.465 -1.881 3.012) 4.323 10.844 ( -4.730 -2.305 -12.844) 13.880 10.844 ( -4.730 -2.305 12.844) 13.880 11.141 ( 0.150 -2.190 -2.026) 2.987 11.141 ( 0.150 -2.190 2.026) 2.987 11.316 ( 9.452 -5.406 -1.642) 11.011 11.316 ( 9.452 -5.406 1.642) 11.011 11.612 ( -3.761 -2.394 -12.685) 13.446 11.612 ( -3.761 -2.394 12.685) 13.446 12.001 ( -4.157 -0.580 -2.974) 5.144 12.001 ( -4.157 -0.580 2.974) 5.144 12.112 ( 3.685 -0.062 -4.224) 5.605 12.112 ( 3.685 -0.062 4.224) 5.605 12.218 ( -0.127 1.017 -1.626) 1.922 12.218 ( -0.127 1.017 1.626) 1.922 12.309 ( 8.942 0.394 -2.084) 9.190 12.309 ( 8.942 0.394 2.084) 9.190 12.465 ( -0.271 0.583 -9.263) 9.285 12.465 ( -0.271 0.583 9.263) 9.285 12.497 ( 0.864 0.433 -4.307) 4.414 12.497 ( 0.864 0.433 4.307) 4.414 12.779 ( -4.330 -0.933 -3.438) 5.607 12.779 ( -4.330 -0.933 3.438) 5.607 13.033 ( 1.558 1.929 -9.567) 9.883 13.033 ( 1.558 1.929 9.567) 9.883 13.140 ( -5.488 0.599 -10.089) 11.501 13.140 ( -5.488 0.599 10.089) 11.501 13.209 ( 5.027 -2.833 -3.791) 6.904 13.209 ( 5.027 -2.833 3.791) 6.904 13.560 ( 14.507 -0.108 -9.078) 17.113 13.560 ( 14.507 -0.108 9.078) 17.113 13.889 ( 2.916 2.504 -5.284) 6.534 13.889 ( 2.916 2.504 5.284) 6.534 14.134 ( 7.514 -1.982 -8.000) 11.153 14.134 ( 7.514 -1.982 8.000) 11.153 14.510 ( -6.475 -0.430 -19.520) 20.570 14.510 ( -6.475 -0.430 19.520) 20.570 14.719 ( 0.578 -0.973 -11.380) 11.436 14.719 ( 0.578 -0.973 11.380) 11.436 15.049 ( 0.749 0.594 -5.717) 5.797 15.049 ( 0.749 0.594 5.717) 5.797 15.167 ( -0.713 0.695 -2.533) 2.722 15.167 ( -0.713 0.695 2.533) 2.722 15.768 ( 0.360 2.437 -6.814) 7.246 15.768 ( 0.360 2.437 6.814) 7.246 15.916 ( -8.685 3.058 -2.915) 9.658 15.916 ( -8.685 3.058 2.915) 9.658 16.186 ( 1.985 1.557 -3.437) 4.264 16.186 ( 1.985 1.557 3.437) 4.264 16.608 ( -14.814 -0.538 -2.403) 15.017 16.608 ( -14.814 -0.538 2.403) 15.017 16.945 ( -8.482 -0.677 -8.985) 12.374 16.945 ( -8.482 -0.677 8.985) 12.374 17.593 ( 6.820 -0.240 -5.514) 8.773 17.593 ( 6.820 -0.240 5.514) 8.773 17.657 ( -1.344 -1.210 -12.006) 12.142 17.657 ( -1.344 -1.210 12.007) 12.142 17.824 ( 0.258 0.635 -5.245) 5.290 17.824 ( 0.258 0.635 5.245) 5.290 17.992 ( -6.058 -1.675 -1.441) 6.449 17.992 ( -6.058 -1.675 1.441) 6.449 18.185 ( 11.000 1.458 -3.176) 11.541 18.185 ( 11.000 1.458 3.176) 11.541 18.348 ( 2.184 1.325 -1.420) 2.923 18.348 ( 2.184 1.325 1.420) 2.923 18.495 ( 2.171 1.416 -2.651) 3.707 18.495 ( 2.171 1.416 2.651) 3.707 18.724 ( -1.789 -0.750 -3.655) 4.138 18.724 ( -1.789 -0.750 3.655) 4.138 18.875 ( 4.747 0.983 -3.221) 5.821 18.875 ( 4.747 0.983 3.221) 5.821 19.474 ( 7.133 0.756 -3.981) 8.203 19.474 ( 7.133 0.756 3.981) 8.203 19.706 ( 15.980 1.246 -10.223) 19.012 19.706 ( 15.980 1.246 10.223) 19.012 19.973 ( -6.399 0.583 -1.902) 6.701 19.973 ( -6.399 0.583 1.902) 6.701 20.243 ( -7.499 -2.450 -4.566) 9.115 20.243 ( -7.499 -2.450 4.566) 9.115 20.385 ( -1.156 -1.258 -1.700) 2.410 20.385 ( -1.156 -1.258 1.700) 2.410 20.715 ( 0.146 -0.171 -1.192) 1.213 20.715 ( 0.146 -0.171 1.192) 1.213 20.747 ( -3.382 -1.472 -3.566) 5.130 20.747 ( -3.382 -1.472 3.566) 5.130 20.939 ( -4.903 -1.227 -3.975) 6.430 20.939 ( -4.903 -1.227 3.975) 6.430 21.162 ( -6.871 -2.821 -4.730) 8.806 21.162 ( -6.871 -2.821 4.730) 8.806 21.894 ( 8.801 -0.566 -2.587) 9.191 21.894 ( 8.801 -0.566 2.587) 9.191 22.359 ( -1.900 -1.327 -6.136) 6.559 22.359 ( -1.900 -1.327 6.136) 6.559 22.614 ( -4.268 0.540 -10.715) 11.546 22.614 ( -4.268 0.540 10.715) 11.546 22.776 ( 4.882 -0.911 -4.979) 7.032 22.776 ( 4.882 -0.911 4.979) 7.032 23.049 ( 4.548 2.015 -1.432) 5.176 23.049 ( 4.548 2.015 1.432) 5.176 23.428 ( -12.839 -0.834 -14.072) 19.067 23.428 ( -12.839 -0.834 14.072) 19.067 23.464 ( -1.257 -0.331 -3.416) 3.655 23.464 ( -1.257 -0.331 3.416) 3.655 23.768 ( -1.525 0.418 -1.243) 2.011 23.768 ( -1.525 0.418 1.243) 2.011 23.824 ( -7.450 0.285 -4.047) 8.484 23.824 ( -7.450 0.285 4.047) 8.484 24.343 ( 9.223 1.096 -7.473) 11.921 24.343 ( 9.223 1.096 7.473) 11.921 24.722 ( 18.808 -2.762 -3.322) 19.297 24.722 ( 18.808 -2.762 3.322) 19.297 24.922 ( -8.733 1.139 -7.252) 11.409 24.922 ( -8.733 1.139 7.252) 11.409 25.235 ( 19.011 -3.739 -7.518) 20.783 25.235 ( 19.011 -3.739 7.518) 20.783 25.572 ( 4.478 -0.303 -5.876) 7.394 25.572 ( 4.478 -0.303 5.876) 7.394 25.779 ( 15.114 -0.606 -12.189) 19.426 25.779 ( 15.114 -0.606 12.189) 19.426 26.296 ( 2.584 -0.248 -1.991) 3.271 26.296 ( 2.584 -0.248 1.991) 3.271 26.633 ( -10.778 -2.509 -20.589) 23.374 26.633 ( -10.778 -2.509 20.589) 23.374 27.181 ( -37.997 -11.872 -9.984) 41.042 27.181 ( -37.997 -11.872 9.984) 41.042 27.774 ( 5.018 -1.247 -8.773) 10.183 27.774 ( 5.018 -1.247 8.773) 10.183 28.118 ( 1.605 -5.264 -5.855) 8.035 28.118 ( 1.605 -5.264 5.855) 8.035 28.273 ( -6.619 -4.761 -2.164) 8.435 28.273 ( -6.619 -4.761 2.164) 8.435 28.636 ( 9.951 -3.978 -2.434) 10.990 28.636 ( 9.951 -3.978 2.434) 10.990 29.003 ( -5.169 -1.138 -3.645) 6.426 29.003 ( -5.169 -1.138 3.645) 6.426 29.268 ( -2.339 -4.679 -4.468) 6.880 29.268 ( -2.339 -4.679 4.468) 6.880 29.715 ( 12.191 -3.911 -2.261) 13.001 29.715 ( 12.191 -3.911 2.261) 13.001 30.448 ( -2.446 -4.541 -4.325) 6.731 30.448 ( -2.446 -4.541 4.325) 6.731 30.553 ( -2.312 -3.029 -2.632) 4.631 30.553 ( -2.312 -3.029 2.632) 4.631 30.651 ( 2.470 -3.684 -1.824) 4.796 30.651 ( 2.470 -3.684 1.824) 4.796 30.983 ( -5.299 -6.025 -5.830) 9.918 30.983 ( -5.299 -6.025 5.830) 9.918 31.081 ( 3.152 -2.805 -8.155) 9.182 31.081 ( 3.152 -2.805 8.155) 9.182 31.439 ( 1.305 -4.458 -0.821) 4.717 31.439 ( 1.305 -4.458 0.821) 4.717 31.575 ( 3.712 -3.678 -6.474) 8.320 31.575 ( 3.712 -3.678 6.474) 8.320 32.011 ( 0.260 -4.121 -4.532) 6.131 32.011 ( 0.260 -4.121 4.532) 6.131 32.662 ( -16.167 -3.098 -10.506) 19.528 32.662 ( -16.167 -3.098 10.506) 19.528 33.158 ( 2.181 -2.521 -7.444) 8.156 33.158 ( 2.181 -2.521 7.444) 8.156 33.467 ( 3.727 -0.154 -2.567) 4.528 33.467 ( 3.727 -0.154 2.567) 4.528 34.481 ( 23.896 -1.369 -16.420) 29.026 34.481 ( 23.896 -1.369 16.420) 29.026 36.033 ( -20.496 -8.518 -38.897) 44.784 36.033 ( -20.496 -8.518 38.897) 44.784 ======================= Grid point 144 (48/54) ======================= q-point: (-0.50 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.000 2.508 -13.271) 13.506 2.226 ( 0.000 2.508 13.271) 13.506 2.295 ( 0.000 13.421 -6.028) 14.712 2.295 ( 0.000 13.421 6.028) 14.712 2.624 ( -0.000 10.126 -10.328) 14.463 2.624 ( 0.000 10.126 10.328) 14.463 2.780 ( 0.000 2.903 -1.429) 3.236 2.780 ( 0.000 2.903 1.429) 3.236 2.983 ( -0.000 9.071 -3.577) 9.751 2.983 ( -0.000 9.071 3.577) 9.751 3.199 ( 0.000 2.446 -1.490) 2.864 3.199 ( -0.000 2.446 1.490) 2.864 3.237 ( 0.000 -0.246 -1.165) 1.191 3.237 ( 0.000 -0.246 1.165) 1.191 3.378 ( -0.000 2.955 -0.196) 2.962 3.378 ( -0.000 2.955 0.196) 2.962 3.385 ( 0.000 0.916 -0.596) 1.092 3.385 ( 0.000 0.916 0.596) 1.092 3.520 ( 0.000 3.229 -1.364) 3.505 3.520 ( 0.000 3.229 1.364) 3.505 3.780 ( -0.000 2.665 -7.856) 8.296 3.780 ( 0.000 2.665 7.856) 8.296 3.955 ( 0.000 7.952 -6.259) 10.120 3.955 ( -0.000 7.952 6.259) 10.120 4.065 ( 0.000 -3.196 -8.145) 8.750 4.065 ( 0.000 -3.196 8.145) 8.750 4.360 ( 0.000 3.040 -3.193) 4.409 4.360 ( 0.000 3.040 3.193) 4.409 4.513 ( 0.000 -6.799 -1.278) 6.918 4.513 ( 0.000 -6.799 1.278) 6.918 4.663 ( 0.000 -7.225 -2.141) 7.535 4.663 ( -0.000 -7.225 2.141) 7.535 5.344 ( 0.000 -2.219 -5.031) 5.499 5.344 ( 0.000 -2.219 5.031) 5.499 5.652 ( -0.000 -4.045 -3.086) 5.088 5.652 ( -0.000 -4.045 3.086) 5.088 6.241 ( 0.000 -9.632 -0.823) 9.667 6.241 ( 0.000 -9.632 0.823) 9.667 6.543 ( 0.000 -2.173 -6.056) 6.434 6.543 ( 0.000 -2.173 6.056) 6.434 6.856 ( 0.000 0.022 -5.175) 5.175 6.856 ( 0.000 0.022 5.175) 5.175 7.039 ( 0.000 -2.333 -1.555) 2.803 7.039 ( 0.000 -2.333 1.555) 2.803 7.315 ( -0.000 -6.365 -0.117) 6.367 7.315 ( -0.000 -6.365 0.117) 6.367 7.431 ( 0.000 -2.775 -8.735) 9.165 7.431 ( 0.000 -2.775 8.735) 9.165 7.563 ( 0.000 -1.770 -4.097) 4.463 7.563 ( 0.000 -1.770 4.097) 4.463 7.875 ( 0.000 0.888 -1.593) 1.824 7.875 ( 0.000 0.888 1.593) 1.824 8.096 ( 0.000 -3.853 -2.353) 4.515 8.096 ( 0.000 -3.853 2.353) 4.515 8.191 ( 0.000 4.518 -8.261) 9.416 8.191 ( 0.000 4.518 8.261) 9.416 8.459 ( 0.000 1.466 -6.804) 6.960 8.459 ( 0.000 1.466 6.804) 6.960 8.598 ( 0.000 3.098 -0.372) 3.120 8.598 ( 0.000 3.098 0.372) 3.120 8.896 ( -0.000 -3.340 -0.434) 3.368 8.896 ( -0.000 -3.340 0.434) 3.368 9.042 ( 0.000 -2.663 -5.769) 6.354 9.042 ( 0.000 -2.663 5.769) 6.354 9.540 ( 0.000 -4.253 -4.796) 6.410 9.540 ( 0.000 -4.253 4.796) 6.410 9.689 ( -0.000 0.508 -3.315) 3.354 9.689 ( 0.000 0.508 3.315) 3.354 9.928 ( -0.000 -1.439 -6.133) 6.300 9.928 ( -0.000 -1.439 6.133) 6.300 10.093 ( 0.000 -2.631 -1.134) 2.865 10.093 ( 0.000 -2.631 1.134) 2.865 10.552 ( 0.000 -4.526 -4.746) 6.558 10.552 ( 0.000 -4.526 4.746) 6.558 10.658 ( -0.000 -1.234 -6.554) 6.669 10.658 ( -0.000 -1.234 6.554) 6.669 10.767 ( 0.000 -3.967 -6.912) 7.969 10.767 ( 0.000 -3.967 6.912) 7.969 11.139 ( 0.000 -2.177 -3.232) 3.897 11.139 ( -0.000 -2.177 3.232) 3.897 11.390 ( 0.000 -2.357 -4.481) 5.063 11.390 ( 0.000 -2.357 4.481) 5.063 11.562 ( -0.000 -2.810 -4.320) 5.154 11.562 ( -0.000 -2.810 4.320) 5.154 11.959 ( 0.000 0.366 -5.500) 5.512 11.959 ( 0.000 0.366 5.500) 5.512 12.144 ( 0.000 1.984 -0.021) 1.984 12.144 ( 0.000 1.984 0.021) 1.984 12.285 ( 0.000 0.272 -2.965) 2.977 12.285 ( 0.000 0.272 2.965) 2.977 12.346 ( -0.000 -1.874 -8.367) 8.574 12.346 ( -0.000 -1.874 8.367) 8.574 12.467 ( 0.000 -1.841 -4.808) 5.148 12.467 ( 0.000 -1.841 4.808) 5.148 12.542 ( 0.000 0.357 -3.472) 3.491 12.542 ( -0.000 0.357 3.472) 3.491 12.712 ( -0.000 0.336 -3.848) 3.863 12.712 ( 0.000 0.336 3.848) 3.863 13.039 ( -0.000 0.539 -1.713) 1.796 13.039 ( 0.000 0.539 1.713) 1.796 13.095 ( 0.000 3.792 -6.059) 7.148 13.095 ( 0.000 3.792 6.059) 7.148 13.278 ( 0.000 -2.653 -3.430) 4.337 13.278 ( -0.000 -2.653 3.430) 4.337 13.708 ( -0.000 1.600 -2.021) 2.578 13.708 ( 0.000 1.600 2.021) 2.578 13.891 ( 0.000 0.388 -2.132) 2.167 13.891 ( 0.000 0.388 2.132) 2.167 14.242 ( 0.000 -3.824 -3.420) 5.131 14.242 ( 0.000 -3.824 3.420) 5.131 14.475 ( -0.000 0.032 -0.267) 0.269 14.475 ( -0.000 0.032 0.267) 0.269 14.721 ( 0.000 -0.336 -7.645) 7.652 14.721 ( -0.000 -0.336 7.645) 7.652 15.004 ( -0.000 0.108 -3.152) 3.154 15.004 ( 0.000 0.108 3.152) 3.154 15.223 ( -0.000 1.924 -0.764) 2.070 15.223 ( 0.000 1.924 0.764) 2.070 15.727 ( 0.000 2.921 -9.134) 9.590 15.727 ( 0.000 2.921 9.134) 9.590 15.913 ( 0.000 2.498 -0.343) 2.521 15.913 ( 0.000 2.498 0.343) 2.521 16.063 ( -0.000 0.358 -6.036) 6.047 16.063 ( -0.000 0.358 6.036) 6.047 16.499 ( 0.000 0.247 -2.215) 2.229 16.499 ( 0.000 0.247 2.215) 2.229 16.842 ( 0.000 -0.337 -2.076) 2.103 16.842 ( 0.000 -0.337 2.076) 2.103 17.640 ( 0.000 -1.712 -7.607) 7.797 17.640 ( 0.000 -1.712 7.607) 7.797 17.707 ( -0.000 -0.737 -5.031) 5.085 17.707 ( 0.000 -0.737 5.031) 5.085 17.788 ( 0.000 -0.553 -3.100) 3.149 17.788 ( -0.000 -0.553 3.100) 3.149 17.914 ( 0.000 -0.873 -6.236) 6.297 17.914 ( 0.000 -0.873 6.236) 6.297 18.330 ( -0.000 2.512 -1.864) 3.128 18.330 ( -0.000 2.512 1.864) 3.128 18.365 ( 0.000 2.262 -3.652) 4.296 18.365 ( 0.000 2.262 3.652) 4.296 18.516 ( 0.000 0.938 -0.622) 1.125 18.516 ( -0.000 0.938 0.622) 1.125 18.700 ( 0.000 -2.480 -0.769) 2.597 18.700 ( 0.000 -2.480 0.769) 2.597 18.934 ( 0.000 1.691 -4.154) 4.485 18.934 ( 0.000 1.691 4.154) 4.485 19.611 ( 0.000 -0.899 -0.484) 1.021 19.611 ( -0.000 -0.899 0.484) 1.021 19.800 ( 0.000 0.865 -0.028) 0.865 19.800 ( 0.000 0.865 0.028) 0.865 20.023 ( -0.000 1.888 -0.590) 1.978 20.023 ( 0.000 1.888 0.590) 1.978 20.155 ( 0.000 -0.494 -3.795) 3.827 20.155 ( -0.000 -0.494 3.795) 3.827 20.343 ( 0.000 -1.074 -0.789) 1.333 20.343 ( -0.000 -1.074 0.789) 1.333 20.487 ( 0.000 -3.213 -1.206) 3.432 20.487 ( 0.000 -3.213 1.206) 3.432 20.912 ( 0.000 -0.214 -1.827) 1.839 20.912 ( 0.000 -0.214 1.827) 1.839 20.941 ( -0.000 -1.493 -3.690) 3.980 20.941 ( -0.000 -1.493 3.690) 3.980 21.003 ( -0.000 -0.728 -1.130) 1.344 21.003 ( -0.000 -0.728 1.130) 1.344 21.974 ( -0.000 -1.903 -3.509) 3.992 21.974 ( -0.000 -1.903 3.509) 3.992 22.320 ( 0.000 -0.066 -2.687) 2.688 22.320 ( 0.000 -0.066 2.687) 2.688 22.581 ( 0.000 0.553 -0.683) 0.879 22.581 ( 0.000 0.553 0.683) 0.879 22.891 ( -0.000 -1.682 -0.362) 1.720 22.891 ( 0.000 -1.682 0.362) 1.720 23.098 ( -0.000 1.850 -3.459) 3.923 23.098 ( -0.000 1.850 3.459) 3.923 23.236 ( 0.000 0.085 -3.495) 3.496 23.236 ( 0.000 0.085 3.495) 3.496 23.460 ( 0.000 -0.373 -0.037) 0.375 23.460 ( -0.000 -0.373 0.037) 0.375 23.722 ( 0.000 -0.635 -0.510) 0.814 23.722 ( 0.000 -0.635 0.510) 0.814 23.772 ( 0.000 1.565 -1.145) 1.939 23.772 ( 0.000 1.565 1.145) 1.939 24.455 ( 0.000 2.446 -1.190) 2.720 24.455 ( -0.000 2.446 1.190) 2.720 24.795 ( 0.000 2.631 -0.621) 2.703 24.795 ( 0.000 2.631 0.621) 2.703 24.894 ( 0.000 -2.449 -1.537) 2.891 24.894 ( 0.000 -2.449 1.537) 2.891 25.574 ( -0.000 -0.177 -0.403) 0.440 25.574 ( 0.000 -0.177 0.403) 0.440 25.692 ( 0.000 -9.130 -7.553) 11.849 25.692 ( 0.000 -9.130 7.553) 11.849 26.011 ( -0.000 -0.648 -0.391) 0.757 26.011 ( 0.000 -0.648 0.391) 0.757 26.406 ( -0.000 -7.177 -4.746) 8.604 26.406 ( -0.000 -7.177 4.746) 8.604 26.441 ( 0.000 -4.990 -13.529) 14.420 26.441 ( -0.000 -4.990 13.529) 14.420 26.552 ( 0.000 -6.141 -9.449) 11.269 26.552 ( 0.000 -6.141 9.449) 11.269 27.877 ( -0.000 -0.479 -7.254) 7.269 27.877 ( -0.000 -0.479 7.254) 7.269 28.065 ( 0.000 -2.794 -0.901) 2.936 28.065 ( 0.000 -2.794 0.901) 2.936 28.209 ( 0.000 -8.976 -1.039) 9.036 28.209 ( 0.000 -8.976 1.039) 9.036 28.767 ( 0.000 -1.456 -0.633) 1.588 28.767 ( 0.000 -1.456 0.633) 1.588 28.950 ( -0.000 -1.841 -2.185) 2.857 28.950 ( -0.000 -1.841 2.185) 2.857 29.203 ( 0.000 -5.336 -1.192) 5.468 29.203 ( -0.000 -5.336 1.192) 5.468 29.890 ( 0.000 -2.136 -1.302) 2.502 29.890 ( 0.000 -2.136 1.302) 2.502 30.409 ( -0.000 -6.064 -2.504) 6.561 30.409 ( -0.000 -6.064 2.504) 6.561 30.519 ( 0.000 -0.302 -1.061) 1.103 30.519 ( 0.000 -0.302 1.061) 1.103 30.684 ( 0.000 -1.929 -0.505) 1.994 30.684 ( 0.000 -1.929 0.505) 1.994 30.895 ( -0.000 -10.117 -0.599) 10.135 30.895 ( 0.000 -10.117 0.599) 10.135 31.142 ( -0.000 -2.545 -1.950) 3.206 31.142 ( -0.000 -2.545 1.950) 3.206 31.464 ( 0.000 -3.936 -2.354) 4.586 31.464 ( 0.000 -3.936 2.354) 4.586 31.606 ( 0.000 -4.842 -7.086) 8.582 31.606 ( 0.000 -4.842 7.086) 8.582 32.017 ( 0.000 -1.883 -2.164) 2.869 32.017 ( -0.000 -1.883 2.164) 2.869 32.484 ( 0.000 -4.416 -2.501) 5.075 32.484 ( 0.000 -4.416 2.501) 5.075 33.174 ( 0.000 -2.803 -3.493) 4.479 33.174 ( 0.000 -2.803 3.493) 4.479 33.500 ( 0.000 -0.005 -2.076) 2.076 33.500 ( 0.000 -0.005 2.076) 2.076 34.847 ( -0.000 -5.240 -14.678) 15.585 34.847 ( 0.000 -5.240 14.678) 15.585 35.706 ( 0.000 -2.576 -10.217) 10.537 35.706 ( -0.000 -2.576 10.217) 10.537 ======================= Grid point 150 (49/54) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 0.000 6.069 -5.121) 7.941 2.329 ( 0.000 6.069 5.121) 7.941 2.453 ( 0.000 4.164 -12.448) 13.127 2.453 ( 0.000 4.164 12.448) 13.127 2.754 ( 0.000 6.941 -8.151) 10.706 2.754 ( 0.000 6.941 8.151) 10.706 2.961 ( 0.000 2.578 -1.628) 3.049 2.961 ( 0.000 2.578 1.628) 3.049 3.024 ( 0.000 0.324 -4.876) 4.887 3.024 ( 0.000 0.324 4.876) 4.887 3.217 ( 0.000 5.592 -2.617) 6.174 3.217 ( 0.000 5.592 2.617) 6.174 3.218 ( 0.000 12.660 -2.439) 12.892 3.218 ( 0.000 12.660 2.439) 12.892 3.366 ( 0.000 -1.619 -2.620) 3.080 3.366 ( 0.000 -1.619 2.620) 3.080 3.407 ( 0.000 4.035 -7.082) 8.151 3.407 ( 0.000 4.035 7.082) 8.151 3.549 ( 0.000 1.357 -1.726) 2.195 3.549 ( 0.000 1.357 1.726) 2.195 3.815 ( 0.000 -1.872 -5.453) 5.766 3.815 ( 0.000 -1.872 5.453) 5.766 3.918 ( 0.000 6.307 -4.129) 7.539 3.918 ( 0.000 6.307 4.129) 7.539 4.163 ( 0.000 -0.956 -1.761) 2.004 4.163 ( 0.000 -0.956 1.761) 2.004 4.257 ( 0.000 -2.840 -5.361) 6.067 4.257 ( 0.000 -2.840 5.361) 6.067 4.494 ( 0.000 -5.959 -6.120) 8.542 4.494 ( 0.000 -5.959 6.120) 8.542 4.850 ( 0.000 -3.693 -8.172) 8.967 4.850 ( 0.000 -3.693 8.172) 8.967 5.081 ( 0.000 -0.775 -2.899) 3.001 5.081 ( 0.000 -0.775 2.899) 3.001 5.742 ( 0.000 -1.382 -2.699) 3.032 5.742 ( 0.000 -1.382 2.699) 3.032 6.259 ( 0.000 -9.936 -3.063) 10.398 6.259 ( 0.000 -9.936 3.063) 10.398 6.274 ( 0.000 -0.475 -10.820) 10.831 6.274 ( 0.000 -0.475 10.820) 10.831 6.619 ( 0.000 -2.507 -16.872) 17.057 6.619 ( 0.000 -2.507 16.872) 17.057 6.786 ( 0.000 -1.615 -1.149) 1.982 6.786 ( 0.000 -1.615 1.149) 1.982 7.066 ( 0.000 -5.100 -9.944) 11.176 7.066 ( 0.000 -5.100 9.944) 11.176 7.249 ( 0.000 -3.204 -19.449) 19.711 7.249 ( 0.000 -3.204 19.449) 19.711 7.824 ( 0.000 -1.126 -7.196) 7.284 7.824 ( 0.000 -1.126 7.196) 7.284 7.932 ( 0.000 2.133 -13.325) 13.495 7.932 ( 0.000 2.133 13.325) 13.495 8.056 ( 0.000 -8.170 -8.312) 11.655 8.056 ( 0.000 -8.170 8.312) 11.655 8.292 ( 0.000 2.683 -10.081) 10.432 8.292 ( 0.000 2.683 10.081) 10.432 8.501 ( 0.000 -1.108 -6.468) 6.562 8.501 ( 0.000 -1.108 6.468) 6.562 8.574 ( 0.000 -1.315 -8.042) 8.149 8.574 ( 0.000 -1.315 8.042) 8.149 8.921 ( 0.000 0.990 -14.920) 14.952 8.921 ( 0.000 0.990 14.920) 14.952 9.252 ( 0.000 -1.013 -6.745) 6.821 9.252 ( 0.000 -1.013 6.745) 6.821 9.317 ( 0.000 1.944 -3.468) 3.976 9.317 ( 0.000 1.944 3.468) 3.976 9.788 ( 0.000 -0.799 -0.604) 1.002 9.788 ( 0.000 -0.799 0.604) 1.002 10.009 ( 0.000 -1.389 -4.850) 5.045 10.009 ( 0.000 -1.389 4.850) 5.045 10.332 ( 0.000 0.021 -8.836) 8.836 10.332 ( 0.000 0.021 8.836) 8.836 10.396 ( 0.000 -4.513 -9.419) 10.445 10.396 ( 0.000 -4.513 9.419) 10.445 10.787 ( 0.000 -3.868 -8.595) 9.425 10.787 ( 0.000 -3.868 8.595) 9.425 10.790 ( 0.000 -1.123 -14.376) 14.419 10.790 ( 0.000 -1.123 14.376) 14.419 10.932 ( 0.000 -5.367 -7.557) 9.269 10.932 ( 0.000 -5.367 7.557) 9.269 11.141 ( 0.000 -0.381 -2.259) 2.291 11.141 ( 0.000 -0.381 2.259) 2.291 11.617 ( 0.000 -0.943 -13.984) 14.015 11.617 ( 0.000 -0.943 13.984) 14.015 12.010 ( 0.000 -2.938 -8.818) 9.294 12.010 ( 0.000 -2.938 8.818) 9.294 12.042 ( 0.000 -1.806 -5.974) 6.241 12.042 ( 0.000 -1.806 5.974) 6.241 12.182 ( 0.000 1.930 -5.321) 5.661 12.182 ( 0.000 1.930 5.321) 5.661 12.345 ( 0.000 2.099 -6.768) 7.086 12.345 ( 0.000 2.099 6.768) 7.086 12.456 ( 0.000 0.078 -17.694) 17.694 12.456 ( 0.000 0.078 17.694) 17.694 12.492 ( 0.000 0.628 -13.027) 13.042 12.492 ( 0.000 0.628 13.027) 13.042 12.867 ( 0.000 2.674 -3.078) 4.077 12.867 ( 0.000 2.674 3.078) 4.077 12.941 ( 0.000 -3.818 -5.902) 7.029 12.941 ( 0.000 -3.818 5.902) 7.029 13.126 ( 0.000 -4.467 -4.541) 6.370 13.126 ( 0.000 -4.467 4.541) 6.370 13.230 ( 0.000 2.258 -8.729) 9.017 13.230 ( 0.000 2.258 8.729) 9.017 13.344 ( 0.000 0.322 -3.682) 3.696 13.344 ( 0.000 0.322 3.682) 3.696 13.827 ( 0.000 1.157 -10.768) 10.830 13.827 ( 0.000 1.157 10.768) 10.830 14.135 ( 0.000 2.243 -12.533) 12.732 14.135 ( 0.000 2.243 12.533) 12.732 14.561 ( 0.000 -2.735 -21.844) 22.015 14.561 ( 0.000 -2.735 21.844) 22.015 14.705 ( 0.000 1.108 -19.803) 19.834 14.705 ( 0.000 1.108 19.803) 19.834 14.992 ( 0.000 -1.217 -12.472) 12.532 14.992 ( 0.000 -1.217 12.472) 12.532 15.235 ( 0.000 1.275 -9.323) 9.410 15.235 ( 0.000 1.275 9.323) 9.410 15.874 ( 0.000 0.975 -15.430) 15.460 15.874 ( 0.000 0.975 15.430) 15.460 15.947 ( 0.000 -0.561 -0.872) 1.037 15.947 ( 0.000 -0.561 0.872) 1.037 16.187 ( 0.000 2.796 -13.595) 13.879 16.187 ( 0.000 2.796 13.595) 13.879 16.905 ( 0.000 -1.313 -12.314) 12.384 16.905 ( 0.000 -1.313 12.314) 12.384 16.953 ( 0.000 0.208 -4.288) 4.293 16.953 ( 0.000 0.208 4.288) 4.293 17.520 ( 0.000 0.505 -16.523) 16.530 17.520 ( 0.000 0.505 16.523) 16.530 17.676 ( 0.000 -1.092 -18.779) 18.810 17.676 ( 0.000 -1.092 18.779) 18.810 17.827 ( 0.000 2.458 -7.710) 8.093 17.827 ( 0.000 2.458 7.710) 8.093 18.040 ( 0.000 0.005 -3.240) 3.240 18.040 ( 0.000 0.005 3.240) 3.240 18.057 ( 0.000 -1.697 -5.994) 6.230 18.057 ( 0.000 -1.697 5.994) 6.230 18.314 ( 0.000 0.294 -2.053) 2.074 18.314 ( 0.000 0.294 2.053) 2.074 18.497 ( 0.000 1.178 -1.544) 1.942 18.497 ( 0.000 1.178 1.544) 1.942 18.761 ( 0.000 0.287 -8.106) 8.111 18.761 ( 0.000 0.287 8.106) 8.111 18.816 ( 0.000 0.544 -4.898) 4.928 18.816 ( 0.000 0.544 4.898) 4.928 19.430 ( 0.000 1.196 -3.925) 4.104 19.430 ( 0.000 1.196 3.925) 4.104 19.541 ( 0.000 0.235 -8.286) 8.290 19.541 ( 0.000 0.235 8.286) 8.290 20.039 ( 0.000 0.447 -1.155) 1.239 20.039 ( 0.000 0.447 1.155) 1.239 20.300 ( 0.000 -2.087 -11.017) 11.213 20.300 ( 0.000 -2.087 11.017) 11.213 20.374 ( 0.000 -1.443 -2.710) 3.070 20.374 ( 0.000 -1.443 2.710) 3.070 20.627 ( 0.000 0.138 -7.728) 7.729 20.627 ( 0.000 0.138 7.728) 7.729 20.745 ( 0.000 -0.391 -5.896) 5.909 20.745 ( 0.000 -0.391 5.896) 5.909 21.078 ( 0.000 -2.186 -14.519) 14.683 21.078 ( 0.000 -2.186 14.519) 14.683 21.230 ( 0.000 0.220 -3.270) 3.277 21.230 ( 0.000 0.220 3.270) 3.277 21.699 ( 0.000 -0.930 -10.425) 10.466 21.699 ( 0.000 -0.930 10.425) 10.466 22.377 ( 0.000 0.561 -3.615) 3.659 22.377 ( 0.000 0.561 3.615) 3.659 22.692 ( 0.000 0.447 -9.819) 9.830 22.692 ( 0.000 0.447 9.819) 9.830 22.739 ( 0.000 -0.142 -14.738) 14.739 22.739 ( 0.000 -0.142 14.738) 14.739 23.026 ( 0.000 1.970 -2.707) 3.348 23.026 ( 0.000 1.970 2.707) 3.348 23.465 ( 0.000 0.174 -3.917) 3.921 23.465 ( 0.000 0.174 3.917) 3.921 23.590 ( 0.000 -1.115 -24.594) 24.619 23.590 ( 0.000 -1.115 24.594) 24.619 23.801 ( 0.000 1.495 -1.675) 2.245 23.801 ( 0.000 1.495 1.675) 2.245 23.948 ( 0.000 0.712 -3.523) 3.594 23.948 ( 0.000 0.712 3.523) 3.594 24.263 ( 0.000 -0.105 -2.044) 2.047 24.263 ( 0.000 -0.105 2.044) 2.047 24.329 ( 0.000 -0.059 -7.073) 7.073 24.329 ( 0.000 -0.059 7.073) 7.073 25.058 ( 0.000 1.657 -16.645) 16.727 25.058 ( 0.000 1.657 16.645) 16.727 25.210 ( 0.000 0.345 -13.288) 13.293 25.210 ( 0.000 0.345 13.288) 13.293 25.347 ( 0.000 0.183 -23.132) 23.132 25.347 ( 0.000 0.183 23.132) 23.132 25.679 ( 0.000 -0.240 -1.308) 1.330 25.679 ( 0.000 -0.240 1.308) 1.330 26.276 ( 0.000 0.012 -0.973) 0.973 26.276 ( 0.000 0.012 0.973) 0.973 26.710 ( 0.000 -1.361 -19.886) 19.932 26.710 ( 0.000 -1.361 19.886) 19.932 27.507 ( 0.000 -4.943 -6.219) 7.944 27.507 ( 0.000 -4.943 6.219) 7.944 27.786 ( 0.000 -3.260 -3.415) 4.721 27.786 ( 0.000 -3.260 3.415) 4.721 27.813 ( 0.000 -4.144 -7.478) 8.549 27.813 ( 0.000 -4.144 7.478) 8.549 28.349 ( 0.000 -0.538 -3.368) 3.410 28.349 ( 0.000 -0.538 3.368) 3.410 28.373 ( 0.000 -5.676 -7.635) 9.514 28.373 ( 0.000 -5.676 7.635) 9.514 29.132 ( 0.000 -1.702 -10.555) 10.691 29.132 ( 0.000 -1.702 10.555) 10.691 29.142 ( 0.000 -0.291 -17.823) 17.825 29.142 ( 0.000 -0.291 17.823) 17.825 29.502 ( 0.000 -3.405 -7.087) 7.862 29.502 ( 0.000 -3.405 7.087) 7.862 30.356 ( 0.000 -5.448 -2.994) 6.216 30.356 ( 0.000 -5.448 2.994) 6.216 30.516 ( 0.000 -2.126 -10.078) 10.300 30.516 ( 0.000 -2.126 10.078) 10.300 30.578 ( 0.000 -0.914 -2.505) 2.667 30.578 ( 0.000 -0.914 2.505) 2.667 30.976 ( 0.000 -0.460 -11.989) 11.998 30.976 ( 0.000 -0.460 11.989) 11.998 31.024 ( 0.000 -3.338 -7.091) 7.837 31.024 ( 0.000 -3.338 7.091) 7.837 31.357 ( 0.000 -3.367 -2.892) 4.439 31.357 ( 0.000 -3.367 2.892) 4.439 31.463 ( 0.000 -1.312 -13.779) 13.841 31.463 ( 0.000 -1.312 13.779) 13.841 31.927 ( 0.000 -2.961 -4.575) 5.450 31.927 ( 0.000 -2.961 4.575) 5.450 32.870 ( 0.000 -4.033 -15.152) 15.680 32.870 ( 0.000 -4.033 15.152) 15.680 33.020 ( 0.000 -3.215 -16.769) 17.074 33.020 ( 0.000 -3.215 16.769) 17.074 33.380 ( 0.000 -0.975 -3.667) 3.795 33.380 ( 0.000 -0.975 3.667) 3.795 34.179 ( 0.000 -2.997 -9.673) 10.127 34.179 ( 0.000 -2.997 9.673) 10.127 35.957 ( 0.000 -15.238 -34.037) 37.292 35.957 ( 0.000 -15.238 34.037) 37.292 ======================= Grid point 152 (50/54) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.961 5.315 -6.899) 8.762 2.306 ( -0.961 5.315 6.899) 8.762 2.499 ( 2.891 6.220 -6.125) 9.196 2.499 ( 2.891 6.220 6.125) 9.196 2.755 ( 0.380 6.151 -6.702) 9.105 2.755 ( 0.380 6.151 6.702) 9.105 2.951 ( -5.083 4.141 -7.007) 9.596 2.951 ( -5.083 4.141 7.007) 9.596 3.045 ( 4.884 2.222 -1.474) 5.565 3.045 ( 4.884 2.222 1.474) 5.565 3.173 ( 2.347 8.144 -2.341) 8.793 3.173 ( 2.347 8.144 2.341) 8.793 3.305 ( 0.702 0.140 -0.601) 0.934 3.305 ( 0.702 0.140 0.601) 0.934 3.361 ( -0.267 1.350 -2.176) 2.575 3.361 ( -0.267 1.350 2.176) 2.575 3.459 ( 4.814 5.596 -3.146) 8.024 3.459 ( 4.814 5.596 3.146) 8.024 3.546 ( 0.299 2.160 -1.820) 2.840 3.546 ( 0.299 2.160 1.820) 2.840 3.788 ( -0.422 0.175 -5.298) 5.317 3.788 ( -0.422 0.175 5.298) 5.317 3.969 ( 2.031 2.027 -4.220) 5.103 3.969 ( 2.031 2.027 4.220) 5.103 4.130 ( -1.488 -1.099 -2.079) 2.783 4.130 ( -1.488 -1.099 2.079) 2.783 4.308 ( 4.311 -1.061 -4.621) 6.408 4.308 ( 4.311 -1.061 4.621) 6.408 4.478 ( -1.600 -1.856 -4.945) 5.519 4.478 ( -1.600 -1.856 4.945) 5.519 4.688 ( -11.528 -4.040 -4.400) 12.984 4.688 ( -11.528 -4.040 4.400) 12.984 5.202 ( 7.802 -2.415 -1.646) 8.331 5.202 ( 7.802 -2.415 1.646) 8.331 5.663 ( -6.438 -2.022 -3.211) 7.473 5.663 ( -6.438 -2.022 3.211) 7.473 6.135 ( -6.435 -7.775 -1.526) 10.207 6.135 ( -6.435 -7.775 1.526) 10.207 6.424 ( 6.755 -1.589 -9.271) 11.580 6.424 ( 6.755 -1.589 9.271) 11.580 6.764 ( 16.005 -2.798 -8.880) 18.516 6.764 ( 16.005 -2.798 8.880) 18.516 6.898 ( 1.599 -4.645 -2.733) 5.621 6.898 ( 1.599 -4.645 2.733) 5.621 7.044 ( 4.436 -2.229 -5.930) 7.734 7.044 ( 4.436 -2.229 5.930) 7.734 7.283 ( 3.635 -3.431 -12.901) 13.836 7.283 ( 3.635 -3.431 12.901) 13.836 7.634 ( -8.863 -0.885 -14.630) 17.128 7.634 ( -8.863 -0.885 14.630) 17.128 7.954 ( -3.206 -6.023 -4.393) 8.115 7.954 ( -3.206 -6.023 4.393) 8.115 8.107 ( -5.122 1.191 -3.123) 6.116 8.107 ( -5.122 1.191 3.123) 6.116 8.237 ( 2.231 1.702 -8.803) 9.240 8.237 ( 2.231 1.702 8.803) 9.240 8.455 ( -2.022 -0.957 -2.719) 3.521 8.455 ( -2.022 -0.957 2.719) 3.521 8.631 ( 4.678 -2.803 -12.797) 13.911 8.631 ( 4.678 -2.803 12.797) 13.911 8.943 ( -7.892 3.132 -3.260) 9.095 8.943 ( -7.892 3.132 3.260) 9.095 9.046 ( -2.994 -0.312 -4.309) 5.257 9.046 ( -2.994 -0.312 4.309) 5.257 9.502 ( 4.916 -1.178 -4.555) 6.804 9.502 ( 4.916 -1.178 4.555) 6.804 9.809 ( -15.162 -1.896 -7.735) 17.127 9.809 ( -15.162 -1.896 7.735) 17.127 9.949 ( 2.940 0.054 -1.866) 3.482 9.949 ( 2.940 0.054 1.866) 3.482 10.024 ( -6.379 -3.431 -5.190) 8.911 10.024 ( -6.379 -3.431 5.190) 8.911 10.415 ( 0.690 -2.621 -1.617) 3.156 10.415 ( 0.690 -2.621 1.617) 3.156 10.636 ( -2.121 -1.790 -1.787) 3.301 10.636 ( -2.121 -1.790 1.787) 3.301 10.806 ( -6.495 -1.576 -12.564) 14.231 10.806 ( -6.495 -1.576 12.564) 14.231 11.093 ( 2.491 -2.583 -3.802) 5.228 11.093 ( 2.491 -2.583 3.802) 5.228 11.240 ( 11.134 -2.210 -2.850) 11.704 11.240 ( 11.134 -2.210 2.850) 11.704 11.563 ( -4.928 -2.261 -11.727) 12.920 11.563 ( -4.928 -2.261 11.727) 12.920 11.987 ( -0.614 -0.518 -1.568) 1.762 11.987 ( -0.614 -0.518 1.568) 1.762 12.113 ( 4.013 0.249 -3.089) 5.070 12.113 ( 4.013 0.249 3.089) 5.070 12.216 ( 2.266 -0.857 -3.282) 4.079 12.216 ( 2.266 -0.857 3.282) 4.079 12.344 ( 3.320 2.384 -5.869) 7.152 12.344 ( 3.320 2.384 5.869) 7.152 12.452 ( -0.488 -1.134 -11.150) 11.219 12.452 ( -0.488 -1.134 11.150) 11.219 12.530 ( 0.342 2.012 -4.435) 4.882 12.530 ( 0.342 2.012 4.435) 4.882 12.743 ( -6.041 -2.318 -4.283) 7.760 12.743 ( -6.041 -2.318 4.283) 7.760 13.051 ( 3.464 0.124 -9.076) 9.716 13.051 ( 3.464 0.124 9.076) 9.716 13.114 ( 3.310 -2.115 -1.394) 4.168 13.114 ( 3.310 -2.115 1.394) 4.168 13.215 ( -2.287 1.951 -13.110) 13.450 13.215 ( -2.287 1.951 13.110) 13.450 13.549 ( 16.155 -0.748 -10.137) 19.087 13.549 ( 16.155 -0.748 10.137) 19.087 13.929 ( 3.769 1.444 -5.853) 7.110 13.929 ( 3.769 1.444 5.853) 7.110 14.109 ( 1.185 -0.479 -7.146) 7.259 14.109 ( 1.185 -0.479 7.146) 7.259 14.497 ( -3.938 -0.736 -22.839) 23.187 14.497 ( -3.938 -0.736 22.839) 23.187 14.707 ( -0.302 -0.300 -12.239) 12.247 14.707 ( -0.302 -0.300 12.239) 12.247 15.060 ( 3.841 0.461 -6.280) 7.376 15.060 ( 3.841 0.461 6.280) 7.376 15.172 ( -3.077 -0.050 -5.757) 6.528 15.172 ( -3.077 -0.050 5.757) 6.528 15.802 ( 2.260 1.110 -4.822) 5.440 15.802 ( 2.260 1.110 4.822) 5.440 15.968 ( -9.619 2.055 -3.756) 10.529 15.968 ( -9.619 2.055 3.756) 10.529 16.208 ( 1.685 0.718 -2.296) 2.937 16.208 ( 1.685 0.718 2.296) 2.937 16.597 ( -14.841 -0.526 -3.189) 15.189 16.597 ( -14.841 -0.526 3.189) 15.189 16.935 ( -8.106 -0.295 -5.974) 10.074 16.935 ( -8.106 -0.295 5.974) 10.074 17.590 ( 6.197 -0.103 -5.657) 8.392 17.590 ( 6.197 -0.103 5.657) 8.392 17.634 ( -1.805 -0.974 -10.307) 10.509 17.634 ( -1.805 -0.974 10.307) 10.509 17.835 ( -1.510 0.458 -3.734) 4.053 17.835 ( -1.510 0.458 3.734) 4.053 17.962 ( -6.229 -1.237 -0.789) 6.400 17.962 ( -6.229 -1.237 0.789) 6.400 18.213 ( 13.068 1.283 -3.628) 13.623 18.213 ( 13.068 1.283 3.628) 13.623 18.368 ( 3.427 0.753 -0.701) 3.578 18.368 ( 3.427 0.753 0.701) 3.578 18.515 ( 1.313 0.671 -2.142) 2.600 18.515 ( 1.313 0.671 2.142) 2.600 18.715 ( -3.634 -0.223 -3.075) 4.766 18.715 ( -3.634 -0.223 3.075) 4.766 18.892 ( 5.496 0.680 -2.220) 5.967 18.892 ( 5.496 0.680 2.220) 5.967 19.487 ( 5.829 0.523 -3.830) 6.995 19.487 ( 5.829 0.523 3.830) 6.995 19.727 ( 16.410 0.821 -10.931) 19.735 19.727 ( 16.410 0.821 10.931) 19.735 19.982 ( -6.284 0.379 -1.806) 6.549 19.982 ( -6.284 0.379 1.806) 6.549 20.204 ( -6.130 -1.448 -3.239) 7.083 20.204 ( -6.130 -1.448 3.239) 7.083 20.363 ( -0.749 -0.866 -0.886) 1.448 20.363 ( -0.749 -0.866 0.886) 1.448 20.711 ( -3.628 -0.269 -1.106) 3.802 20.711 ( -3.628 -0.269 1.106) 3.802 20.725 ( -0.486 -0.689 -2.826) 2.949 20.725 ( -0.486 -0.689 2.826) 2.949 20.920 ( -4.699 -0.746 -4.314) 6.423 20.920 ( -4.699 -0.746 4.314) 6.423 21.121 ( -5.757 -1.342 -5.109) 7.813 21.121 ( -5.757 -1.342 5.109) 7.813 21.889 ( 9.057 0.005 -2.340) 9.354 21.889 ( 9.057 0.005 2.340) 9.354 22.345 ( -2.592 -0.258 -4.277) 5.008 22.345 ( -2.592 -0.258 4.277) 5.008 22.628 ( -3.588 0.793 -9.737) 10.407 22.628 ( -3.588 0.793 9.737) 10.407 22.763 ( 4.161 -0.428 -4.313) 6.009 22.763 ( 4.161 -0.428 4.313) 6.009 23.093 ( 4.591 2.129 -1.158) 5.192 23.093 ( 4.591 2.129 1.158) 5.192 23.414 ( -11.364 -0.491 -12.469) 16.878 23.414 ( -11.364 -0.491 12.469) 16.878 23.470 ( -1.606 0.561 -8.073) 8.251 23.470 ( -1.606 0.561 8.073) 8.251 23.781 ( -3.517 0.598 -2.123) 4.152 23.781 ( -3.517 0.598 2.123) 4.152 23.841 ( -5.371 1.237 -3.979) 6.798 23.841 ( -5.371 1.237 3.979) 6.798 24.364 ( 10.948 0.918 -7.923) 13.545 24.364 ( 10.948 0.918 7.923) 13.545 24.677 ( 19.983 -1.677 -0.671) 20.064 24.677 ( 19.983 -1.677 0.671) 20.064 24.957 ( -9.356 1.848 -9.649) 13.567 24.957 ( -9.356 1.848 9.649) 13.567 25.190 ( 12.430 -1.215 -11.064) 16.685 25.190 ( 12.430 -1.215 11.064) 16.685 25.567 ( 4.235 -0.202 -6.119) 7.444 25.567 ( 4.235 -0.202 6.119) 7.444 25.771 ( 14.692 -0.309 -12.491) 19.287 25.771 ( 14.692 -0.309 12.491) 19.287 26.291 ( 1.733 -0.248 -1.602) 2.373 26.291 ( 1.733 -0.248 1.602) 2.373 26.583 ( -13.706 -2.350 -18.059) 22.793 26.583 ( -13.706 -2.350 18.059) 22.793 26.996 ( -36.934 -6.737 -7.791) 38.343 26.996 ( -36.934 -6.737 7.791) 38.343 27.755 ( 5.697 -0.682 -9.081) 10.742 27.755 ( 5.697 -0.682 9.081) 10.742 28.021 ( 3.873 -4.016 -6.332) 8.440 28.021 ( 3.873 -4.016 6.332) 8.440 28.206 ( -10.017 -2.399 -2.549) 10.611 28.206 ( -10.017 -2.399 2.549) 10.611 28.566 ( 13.228 -2.875 -3.111) 13.889 28.566 ( 13.228 -2.875 3.111) 13.889 28.982 ( -5.730 -0.885 -2.387) 6.270 28.982 ( -5.730 -0.885 2.387) 6.270 29.195 ( -3.889 -2.698 -3.204) 5.716 29.195 ( -3.889 -2.698 3.204) 5.716 29.656 ( 14.259 -2.075 -1.958) 14.542 29.656 ( 14.259 -2.075 1.958) 14.542 30.359 ( -1.600 -4.001 -3.448) 5.519 30.359 ( -1.600 -4.001 3.448) 5.519 30.502 ( 0.571 -1.990 -5.027) 5.437 30.502 ( 0.571 -1.990 5.027) 5.437 30.602 ( 1.560 -1.528 -2.483) 3.306 30.602 ( 1.560 -1.528 2.483) 3.306 30.892 ( -9.438 -3.227 -4.430) 10.914 30.892 ( -9.438 -3.227 4.430) 10.914 31.042 ( 4.186 -1.356 -9.057) 10.070 31.042 ( 4.186 -1.356 9.057) 10.070 31.366 ( 2.099 -2.834 -0.691) 3.594 31.366 ( 2.099 -2.834 0.691) 3.594 31.510 ( 1.675 -2.737 -7.642) 8.288 31.510 ( 1.675 -2.737 7.642) 8.288 31.953 ( 2.826 -1.811 -4.443) 5.568 31.953 ( 2.826 -1.811 4.443) 5.568 32.589 ( -16.951 -3.748 -11.721) 20.947 32.589 ( -16.951 -3.748 11.721) 20.947 33.099 ( 2.032 -3.125 -7.958) 8.788 33.099 ( 2.032 -3.125 7.958) 8.788 33.454 ( 4.052 -0.971 -1.396) 4.394 33.454 ( 4.052 -0.971 1.396) 4.394 34.397 ( 19.253 -5.721 -12.375) 23.591 34.397 ( 19.253 -5.721 12.375) 23.591 35.798 ( -14.468 -12.608 -28.389) 34.267 35.798 ( -14.468 -12.608 28.389) 34.267 ======================= Grid point 154 (51/54) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.000 5.165 -6.167) 8.045 2.299 ( 0.000 5.165 6.167) 8.045 2.532 ( 0.000 8.057 -2.246) 8.364 2.532 ( 0.000 8.057 2.246) 8.364 2.767 ( 0.000 5.583 -1.162) 5.703 2.767 ( 0.000 5.583 1.162) 5.703 2.875 ( 0.000 5.505 -3.386) 6.463 2.875 ( -0.000 5.505 3.386) 6.463 3.097 ( 0.000 1.877 -1.734) 2.555 3.097 ( -0.000 1.877 1.734) 2.555 3.245 ( -0.000 1.641 -1.551) 2.258 3.245 ( 0.000 1.641 1.551) 2.258 3.298 ( 0.000 3.907 -2.381) 4.575 3.298 ( 0.000 3.907 2.381) 4.575 3.339 ( 0.000 0.815 -0.004) 0.815 3.339 ( 0.000 0.815 0.004) 0.815 3.498 ( 0.000 6.294 -1.146) 6.398 3.498 ( 0.000 6.294 1.146) 6.398 3.581 ( 0.000 2.979 -2.844) 4.119 3.581 ( 0.000 2.979 2.844) 4.119 3.792 ( -0.000 -1.923 -4.757) 5.131 3.792 ( 0.000 -1.923 4.757) 5.131 3.966 ( 0.000 -2.899 -4.095) 5.017 3.966 ( 0.000 -2.899 4.095) 5.017 4.142 ( -0.000 7.016 -0.225) 7.020 4.142 ( -0.000 7.016 0.225) 7.020 4.380 ( 0.000 -3.296 -0.972) 3.436 4.380 ( 0.000 -3.296 0.972) 3.436 4.446 ( 0.000 1.307 -6.484) 6.614 4.446 ( -0.000 1.307 6.484) 6.614 4.532 ( -0.000 -4.811 -4.378) 6.505 4.532 ( -0.000 -4.811 4.378) 6.505 5.298 ( 0.000 -2.408 -3.258) 4.051 5.298 ( 0.000 -2.408 3.258) 4.051 5.574 ( -0.000 -3.416 -2.649) 4.323 5.574 ( -0.000 -3.416 2.649) 4.323 6.063 ( 0.000 -7.978 -0.862) 8.024 6.063 ( 0.000 -7.978 0.862) 8.024 6.499 ( 0.000 -2.129 -3.163) 3.813 6.499 ( -0.000 -2.129 3.163) 3.813 6.847 ( -0.000 -1.609 -1.956) 2.533 6.847 ( 0.000 -1.609 1.956) 2.533 6.956 ( 0.000 -4.375 -2.041) 4.827 6.956 ( 0.000 -4.375 2.041) 4.827 7.206 ( -0.000 -4.339 -2.610) 5.064 7.206 ( -0.000 -4.339 2.610) 5.064 7.379 ( 0.000 -2.056 -4.710) 5.140 7.379 ( 0.000 -2.056 4.710) 5.140 7.537 ( 0.000 -1.002 -2.299) 2.508 7.537 ( 0.000 -1.002 2.299) 2.508 7.882 ( 0.000 -0.436 -4.914) 4.934 7.882 ( 0.000 -0.436 4.914) 4.934 7.985 ( 0.000 -6.227 -3.058) 6.937 7.985 ( 0.000 -6.227 3.058) 6.937 8.280 ( 0.000 4.503 -11.490) 12.341 8.280 ( 0.000 4.503 11.490) 12.341 8.476 ( 0.000 -0.043 -8.098) 8.098 8.476 ( 0.000 -0.043 8.098) 8.098 8.638 ( 0.000 0.983 -0.893) 1.328 8.638 ( 0.000 0.983 0.893) 1.328 8.825 ( -0.000 -3.511 -1.361) 3.765 8.825 ( -0.000 -3.511 1.361) 3.765 8.984 ( 0.000 -2.736 -2.904) 3.990 8.984 ( 0.000 -2.736 2.904) 3.990 9.492 ( 0.000 -0.658 -3.690) 3.748 9.492 ( 0.000 -0.658 3.690) 3.748 9.707 ( 0.000 1.202 -1.583) 1.988 9.707 ( 0.000 1.202 1.583) 1.988 9.896 ( -0.000 -1.683 -3.798) 4.154 9.896 ( -0.000 -1.683 3.798) 4.154 10.054 ( 0.000 -1.350 -0.815) 1.577 10.054 ( 0.000 -1.350 0.815) 1.577 10.463 ( 0.000 -3.847 -4.707) 6.079 10.463 ( 0.000 -3.847 4.707) 6.079 10.635 ( -0.000 -1.549 -0.991) 1.839 10.635 ( -0.000 -1.549 0.991) 1.839 10.709 ( 0.000 -1.792 -1.791) 2.533 10.709 ( 0.000 -1.792 1.791) 2.533 11.097 ( 0.000 -1.865 -3.506) 3.971 11.097 ( 0.000 -1.865 3.506) 3.971 11.360 ( 0.000 -0.485 -3.212) 3.249 11.360 ( 0.000 -0.485 3.212) 3.249 11.493 ( -0.000 -3.894 -2.863) 4.834 11.493 ( -0.000 -3.894 2.863) 4.834 11.985 ( 0.000 2.055 -4.835) 5.254 11.985 ( 0.000 2.055 4.835) 5.254 12.175 ( 0.000 1.419 -2.710) 3.059 12.175 ( -0.000 1.419 2.710) 3.059 12.296 ( 0.000 0.367 -3.635) 3.653 12.296 ( 0.000 0.367 3.635) 3.653 12.309 ( -0.000 -1.684 -5.976) 6.209 12.309 ( -0.000 -1.684 5.976) 6.209 12.425 ( 0.000 -2.046 -5.851) 6.198 12.425 ( 0.000 -2.046 5.851) 6.198 12.542 ( 0.000 -0.652 -3.619) 3.677 12.542 ( -0.000 -0.652 3.619) 3.677 12.702 ( -0.000 -0.862 -3.631) 3.732 12.702 ( 0.000 -0.862 3.631) 3.732 13.046 ( -0.000 0.829 -2.466) 2.602 13.046 ( 0.000 0.829 2.466) 2.602 13.187 ( 0.000 3.847 -1.805) 4.250 13.187 ( 0.000 3.847 1.805) 4.250 13.226 ( 0.000 -2.101 -3.310) 3.921 13.226 ( -0.000 -2.101 3.310) 3.921 13.724 ( 0.000 0.214 -1.316) 1.334 13.724 ( 0.000 0.214 1.316) 1.334 13.901 ( -0.000 0.567 -2.453) 2.518 13.901 ( 0.000 0.567 2.453) 2.518 14.173 ( 0.000 -2.924 -2.890) 4.111 14.173 ( 0.000 -2.924 2.890) 4.111 14.474 ( -0.000 -0.135 -1.101) 1.109 14.474 ( -0.000 -0.135 1.101) 1.109 14.723 ( 0.000 0.440 -8.174) 8.186 14.723 ( -0.000 0.440 8.174) 8.186 14.998 ( -0.000 -0.601 -3.857) 3.903 14.998 ( 0.000 -0.601 3.857) 3.903 15.251 ( -0.000 0.984 -0.470) 1.090 15.251 ( 0.000 0.984 0.470) 1.090 15.772 ( 0.000 1.500 -5.236) 5.446 15.772 ( 0.000 1.500 5.236) 5.446 15.962 ( 0.000 2.404 -3.421) 4.181 15.962 ( 0.000 2.404 3.421) 4.181 16.064 ( -0.000 -0.336 -6.099) 6.108 16.064 ( -0.000 -0.336 6.099) 6.108 16.500 ( 0.000 -0.102 -1.174) 1.178 16.500 ( 0.000 -0.102 1.174) 1.178 16.836 ( 0.000 -0.261 -1.318) 1.344 16.836 ( 0.000 -0.261 1.318) 1.344 17.608 ( 0.000 -1.463 -6.412) 6.577 17.608 ( 0.000 -1.463 6.412) 6.577 17.696 ( -0.000 -0.395 -2.329) 2.363 17.696 ( -0.000 -0.395 2.329) 2.363 17.780 ( 0.000 -0.299 -1.945) 1.968 17.780 ( 0.000 -0.299 1.945) 1.968 17.897 ( 0.000 -0.771 -4.208) 4.278 17.897 ( 0.000 -0.771 4.208) 4.278 18.382 ( -0.000 2.522 -2.423) 3.497 18.382 ( -0.000 2.522 2.423) 3.497 18.403 ( 0.000 1.450 -2.210) 2.644 18.403 ( 0.000 1.450 2.210) 2.644 18.529 ( -0.000 0.316 -1.983) 2.008 18.529 ( -0.000 0.316 1.983) 2.008 18.656 ( 0.000 -1.820 -0.678) 1.942 18.656 ( 0.000 -1.820 0.678) 1.942 18.963 ( 0.000 1.126 -2.850) 3.064 18.963 ( 0.000 1.126 2.850) 3.064 19.595 ( 0.000 -0.607 -0.696) 0.923 19.595 ( -0.000 -0.607 0.696) 0.923 19.816 ( 0.000 0.716 -0.117) 0.725 19.816 ( 0.000 0.716 0.117) 0.725 20.061 ( 0.000 1.740 -0.592) 1.838 20.061 ( -0.000 1.740 0.592) 1.838 20.145 ( -0.000 -0.475 -1.706) 1.771 20.145 ( -0.000 -0.475 1.706) 1.771 20.323 ( 0.000 -0.923 -0.785) 1.212 20.323 ( -0.000 -0.923 0.785) 1.212 20.436 ( 0.000 -1.870 -0.853) 2.055 20.436 ( 0.000 -1.870 0.853) 2.055 20.912 ( 0.000 -0.121 -0.770) 0.779 20.912 ( 0.000 -0.121 0.770) 0.779 20.920 ( -0.000 -0.421 -0.713) 0.828 20.920 ( -0.000 -0.421 0.713) 0.828 20.987 ( 0.000 -0.906 -2.159) 2.341 20.987 ( -0.000 -0.906 2.159) 2.341 21.946 ( -0.000 -0.899 -2.368) 2.533 21.946 ( -0.000 -0.899 2.368) 2.533 22.325 ( 0.000 0.495 -1.731) 1.800 22.325 ( 0.000 0.495 1.731) 1.800 22.599 ( 0.000 1.081 -0.444) 1.169 22.599 ( 0.000 1.081 0.444) 1.169 22.859 ( 0.000 -1.389 -0.175) 1.400 22.859 ( 0.000 -1.389 0.175) 1.400 23.141 ( -0.000 2.095 -2.699) 3.417 23.141 ( -0.000 2.095 2.699) 3.417 23.240 ( -0.000 0.221 -2.313) 2.324 23.240 ( 0.000 0.221 2.313) 2.324 23.462 ( 0.000 0.477 -0.076) 0.483 23.462 ( 0.000 0.477 0.076) 0.483 23.715 ( 0.000 -0.124 -0.859) 0.867 23.715 ( 0.000 -0.124 0.859) 0.867 23.810 ( 0.000 2.001 -1.102) 2.284 23.810 ( 0.000 2.001 1.102) 2.284 24.502 ( 0.000 2.198 -0.659) 2.295 24.502 ( 0.000 2.198 0.659) 2.295 24.820 ( 0.000 -0.756 -1.270) 1.478 24.820 ( 0.000 -0.756 1.270) 1.478 24.876 ( -0.000 1.129 -0.491) 1.231 24.876 ( 0.000 1.129 0.491) 1.231 25.550 ( 0.000 -3.349 -0.379) 3.370 25.550 ( 0.000 -3.349 0.379) 3.370 25.580 ( 0.000 -1.293 -4.766) 4.939 25.580 ( 0.000 -1.293 4.766) 4.939 26.002 ( -0.000 -0.290 -0.947) 0.991 26.002 ( -0.000 -0.290 0.947) 0.991 26.198 ( -0.000 -8.573 -1.111) 8.644 26.198 ( 0.000 -8.573 1.111) 8.644 26.420 ( -0.000 -0.395 -9.987) 9.995 26.420 ( -0.000 -0.395 9.987) 9.995 26.503 ( 0.000 -1.235 -7.067) 7.174 26.503 ( 0.000 -1.235 7.067) 7.174 27.874 ( -0.000 0.180 -7.013) 7.015 27.874 ( -0.000 0.180 7.013) 7.015 28.011 ( 0.000 -2.682 -3.977) 4.797 28.011 ( 0.000 -2.682 3.977) 4.797 28.074 ( 0.000 -4.763 -0.326) 4.774 28.074 ( 0.000 -4.763 0.326) 4.774 28.745 ( 0.000 -0.776 -0.290) 0.829 28.745 ( 0.000 -0.776 0.290) 0.829 28.910 ( -0.000 -2.039 -1.063) 2.300 28.910 ( -0.000 -2.039 1.063) 2.300 29.121 ( 0.000 -2.931 -1.105) 3.132 29.121 ( 0.000 -2.931 1.105) 3.132 29.855 ( 0.000 -1.355 -0.732) 1.540 29.855 ( 0.000 -1.355 0.732) 1.540 30.307 ( -0.000 -4.046 -1.076) 4.187 30.307 ( -0.000 -4.046 1.076) 4.187 30.521 ( 0.000 0.494 -0.592) 0.771 30.521 ( 0.000 0.494 0.592) 0.771 30.641 ( 0.000 -2.574 -0.277) 2.589 30.641 ( 0.000 -2.574 0.277) 2.589 30.751 ( -0.000 -4.676 -0.476) 4.700 30.751 ( 0.000 -4.676 0.476) 4.700 31.102 ( -0.000 -1.552 -1.717) 2.314 31.102 ( -0.000 -1.552 1.717) 2.314 31.405 ( 0.000 -2.000 -2.272) 3.027 31.405 ( 0.000 -2.000 2.272) 3.027 31.509 ( 0.000 -4.548 -5.344) 7.017 31.509 ( 0.000 -4.548 5.344) 7.017 32.004 ( -0.000 0.245 -3.536) 3.544 32.004 ( -0.000 0.245 3.536) 3.544 32.389 ( 0.000 -4.713 -3.761) 6.030 32.389 ( 0.000 -4.713 3.761) 6.030 33.114 ( 0.000 -3.006 -1.933) 3.574 33.114 ( 0.000 -3.006 1.933) 3.574 33.491 ( 0.000 -0.729 -1.137) 1.351 33.491 ( 0.000 -0.729 1.137) 1.351 34.675 ( 0.000 -9.905 -7.254) 12.277 34.675 ( 0.000 -9.905 7.254) 12.277 35.577 ( 0.000 -8.304 -4.475) 9.433 35.577 ( -0.000 -8.304 4.475) 9.433 ======================= Grid point 160 (52/54) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 0.000 2.714 -2.422) 3.638 2.420 ( 0.000 2.714 2.422) 3.638 2.511 ( 0.000 1.671 -7.326) 7.514 2.511 ( 0.000 1.671 7.326) 7.514 2.857 ( 0.000 2.954 -3.252) 4.394 2.857 ( 0.000 2.954 3.252) 4.394 2.969 ( 0.000 -0.378 -1.927) 1.963 2.969 ( 0.000 -0.378 1.927) 1.963 3.003 ( 0.000 -1.303 -3.107) 3.369 3.003 ( 0.000 -1.303 3.107) 3.369 3.279 ( 0.000 -0.414 -1.626) 1.678 3.279 ( 0.000 -0.414 1.626) 1.678 3.390 ( 0.000 4.034 -0.690) 4.093 3.390 ( 0.000 4.034 0.690) 4.093 3.398 ( 0.000 3.698 -1.934) 4.173 3.398 ( 0.000 3.698 1.934) 4.173 3.494 ( 0.000 3.607 -3.980) 5.372 3.494 ( 0.000 3.607 3.980) 5.372 3.569 ( 0.000 0.662 -1.623) 1.753 3.569 ( 0.000 0.662 1.623) 1.753 3.794 ( 0.000 -0.381 -6.034) 6.046 3.794 ( 0.000 -0.381 6.034) 6.046 3.925 ( 0.000 -2.320 -8.751) 9.054 3.925 ( 0.000 -2.320 8.751) 9.054 4.161 ( 0.000 0.232 -7.318) 7.321 4.161 ( 0.000 0.232 7.318) 7.321 4.282 ( 0.000 1.377 -5.127) 5.309 4.282 ( 0.000 1.377 5.127) 5.309 4.429 ( 0.000 0.287 -3.203) 3.216 4.429 ( 0.000 0.287 3.203) 3.216 4.784 ( 0.000 -2.425 -7.065) 7.469 4.784 ( 0.000 -2.425 7.065) 7.469 5.056 ( 0.000 -1.087 -1.828) 2.127 5.056 ( 0.000 -1.087 1.828) 2.127 5.730 ( 0.000 0.036 -1.163) 1.163 5.730 ( 0.000 0.036 1.163) 1.163 6.106 ( 0.000 -4.594 -1.545) 4.847 6.106 ( 0.000 -4.594 1.545) 4.847 6.264 ( 0.000 -0.348 -11.648) 11.653 6.264 ( 0.000 -0.348 11.648) 11.653 6.587 ( 0.000 -0.746 -15.816) 15.834 6.587 ( 0.000 -0.746 15.816) 15.834 6.764 ( 0.000 -0.544 -0.449) 0.705 6.764 ( 0.000 -0.544 0.449) 0.705 6.984 ( 0.000 -2.535 -7.878) 8.275 6.984 ( 0.000 -2.535 7.878) 8.276 7.202 ( 0.000 -1.312 -19.833) 19.876 7.202 ( 0.000 -1.312 19.833) 19.876 7.776 ( 0.000 -2.787 -4.511) 5.303 7.776 ( 0.000 -2.787 4.511) 5.303 7.940 ( 0.000 -2.399 -9.188) 9.496 7.940 ( 0.000 -2.399 9.188) 9.496 7.964 ( 0.000 0.950 -12.208) 12.245 7.964 ( 0.000 0.950 12.208) 12.245 8.330 ( 0.000 1.012 -7.023) 7.096 8.330 ( 0.000 1.012 7.023) 7.096 8.483 ( 0.000 -0.589 -6.358) 6.386 8.483 ( 0.000 -0.589 6.358) 6.386 8.555 ( 0.000 -0.558 -6.199) 6.224 8.555 ( 0.000 -0.558 6.199) 6.224 8.939 ( 0.000 0.618 -14.219) 14.233 8.939 ( 0.000 0.618 14.219) 14.233 9.235 ( 0.000 -0.490 -7.172) 7.189 9.235 ( 0.000 -0.490 7.172) 7.189 9.351 ( 0.000 1.033 -4.116) 4.244 9.351 ( 0.000 1.033 4.116) 4.244 9.777 ( 0.000 -0.260 -1.017) 1.050 9.777 ( 0.000 -0.260 1.017) 1.050 9.995 ( 0.000 -0.189 -4.012) 4.017 9.995 ( 0.000 -0.189 4.012) 4.017 10.332 ( 0.000 -1.788 -8.924) 9.101 10.332 ( 0.000 -1.788 8.924) 9.101 10.334 ( 0.000 0.105 -10.350) 10.351 10.334 ( 0.000 0.105 10.350) 10.351 10.731 ( 0.000 -1.514 -8.828) 8.957 10.731 ( 0.000 -1.514 8.828) 8.957 10.747 ( 0.000 -1.866 -11.152) 11.307 10.747 ( 0.000 -1.866 11.152) 11.307 10.885 ( 0.000 -0.546 -12.894) 12.906 10.885 ( 0.000 -0.546 12.894) 12.906 11.137 ( 0.000 -0.052 -2.777) 2.778 11.137 ( 0.000 -0.052 2.777) 2.778 11.607 ( 0.000 -0.201 -11.904) 11.906 11.607 ( 0.000 -0.201 11.904) 11.906 11.968 ( 0.000 -1.135 -5.861) 5.970 11.968 ( 0.000 -1.135 5.861) 5.970 12.016 ( 0.000 -0.689 -6.440) 6.477 12.016 ( 0.000 -0.689 6.440) 6.477 12.209 ( 0.000 0.716 -5.368) 5.416 12.209 ( 0.000 0.716 5.368) 5.416 12.375 ( 0.000 0.781 -5.807) 5.860 12.375 ( 0.000 0.781 5.807) 5.860 12.456 ( 0.000 0.016 -19.542) 19.542 12.456 ( 0.000 0.016 19.542) 19.542 12.500 ( 0.000 0.216 -7.102) 7.106 12.500 ( 0.000 0.216 7.102) 7.106 12.881 ( 0.000 -1.733 -5.736) 5.992 12.881 ( 0.000 -1.733 5.736) 5.992 12.930 ( 0.000 3.460 -6.979) 7.790 12.930 ( 0.000 3.460 6.979) 7.790 13.034 ( 0.000 -4.311 -4.963) 6.574 13.034 ( 0.000 -4.311 4.963) 6.574 13.268 ( 0.000 1.233 -12.684) 12.743 13.268 ( 0.000 1.233 12.684) 12.743 13.348 ( 0.000 -0.011 -14.381) 14.381 13.348 ( 0.000 -0.011 14.381) 14.381 13.841 ( 0.000 0.349 -12.812) 12.817 13.841 ( 0.000 0.349 12.812) 12.817 14.173 ( 0.000 1.188 -15.999) 16.043 14.173 ( 0.000 1.188 15.999) 16.043 14.520 ( 0.000 -1.183 -25.921) 25.948 14.520 ( 0.000 -1.183 25.921) 25.948 14.721 ( 0.000 0.401 -19.688) 19.692 14.721 ( 0.000 0.402 19.688) 19.692 14.974 ( 0.000 -0.481 -11.711) 11.721 14.974 ( 0.000 -0.481 11.711) 11.721 15.253 ( 0.000 0.460 -10.961) 10.971 15.253 ( 0.000 0.460 10.961) 10.971 15.887 ( 0.000 0.308 -16.901) 16.904 15.887 ( 0.000 0.308 16.901) 16.904 15.936 ( 0.000 -0.370 -1.703) 1.743 15.936 ( 0.000 -0.370 1.703) 1.743 16.224 ( 0.000 0.976 -12.470) 12.508 16.224 ( 0.000 0.976 12.470) 12.508 16.888 ( 0.000 -0.420 -11.036) 11.044 16.888 ( 0.000 -0.420 11.036) 11.044 16.956 ( 0.000 0.077 -5.207) 5.207 16.956 ( 0.000 0.077 5.207) 5.207 17.527 ( 0.000 0.158 -17.348) 17.349 17.527 ( 0.000 0.158 17.348) 17.349 17.661 ( 0.000 -0.401 -18.782) 18.786 17.661 ( 0.000 -0.401 18.782) 18.786 17.867 ( 0.000 1.288 -5.033) 5.195 17.867 ( 0.000 1.288 5.033) 5.195 18.027 ( 0.000 -1.023 -7.640) 7.708 18.027 ( 0.000 -1.023 7.640) 7.708 18.041 ( 0.000 0.021 -2.747) 2.747 18.041 ( 0.000 0.021 2.747) 2.747 18.317 ( 0.000 0.074 -1.003) 1.005 18.317 ( 0.000 0.074 1.003) 1.005 18.512 ( 0.000 0.364 -0.875) 0.947 18.512 ( 0.000 0.364 0.875) 0.947 18.766 ( 0.000 0.128 -7.995) 7.996 18.766 ( 0.000 0.128 7.995) 7.996 18.824 ( 0.000 0.242 -5.104) 5.110 18.824 ( 0.000 0.242 5.104) 5.110 19.447 ( 0.000 0.439 -3.700) 3.726 19.447 ( 0.000 0.439 3.700) 3.726 19.543 ( 0.000 0.006 -8.837) 8.837 19.543 ( 0.000 0.006 8.837) 8.837 20.045 ( 0.000 0.153 -0.868) 0.882 20.045 ( 0.000 0.153 0.868) 0.882 20.271 ( 0.000 -0.760 -12.787) 12.809 20.271 ( 0.000 -0.760 12.787) 12.809 20.358 ( 0.000 -0.365 -2.351) 2.379 20.358 ( 0.000 -0.365 2.351) 2.379 20.629 ( 0.000 0.064 -7.228) 7.229 20.629 ( 0.000 0.064 7.228) 7.229 20.739 ( 0.000 -0.152 -5.247) 5.250 20.739 ( 0.000 -0.152 5.247) 5.250 21.049 ( 0.000 -0.697 -14.149) 14.167 21.049 ( 0.000 -0.698 14.149) 14.167 21.233 ( 0.000 0.081 -2.918) 2.919 21.233 ( 0.000 0.081 2.918) 2.919 21.691 ( 0.000 -0.113 -9.520) 9.521 21.691 ( 0.000 -0.113 9.520) 9.521 22.384 ( 0.000 0.133 -4.276) 4.278 22.384 ( 0.000 0.133 4.276) 4.278 22.701 ( 0.000 0.316 -8.452) 8.458 22.701 ( 0.000 0.316 8.452) 8.458 22.738 ( 0.000 0.014 -13.618) 13.618 22.738 ( 0.000 0.014 13.618) 13.619 23.056 ( 0.000 0.835 -0.975) 1.284 23.056 ( 0.000 0.835 0.975) 1.284 23.468 ( 0.000 0.121 -4.002) 4.003 23.468 ( 0.000 0.121 4.002) 4.003 23.577 ( 0.000 -0.233 -25.611) 25.612 23.577 ( 0.000 -0.233 25.611) 25.612 23.826 ( 0.000 0.746 -1.599) 1.764 23.826 ( 0.000 0.746 1.599) 1.764 23.960 ( 0.000 0.325 -3.476) 3.491 23.960 ( 0.000 0.325 3.476) 3.491 24.262 ( 0.000 -0.027 -2.098) 2.099 24.262 ( 0.000 -0.027 2.098) 2.099 24.330 ( 0.000 0.062 -5.716) 5.716 24.330 ( 0.000 0.062 5.716) 5.716 25.082 ( 0.000 0.695 -17.819) 17.832 25.082 ( 0.000 0.695 17.819) 17.832 25.216 ( 0.000 0.195 -13.797) 13.798 25.216 ( 0.000 0.195 13.797) 13.798 25.350 ( 0.000 0.069 -22.875) 22.875 25.350 ( 0.000 0.069 22.875) 22.875 25.675 ( 0.000 -0.109 -0.446) 0.459 25.675 ( 0.000 -0.109 0.446) 0.459 26.277 ( 0.000 0.004 -1.032) 1.032 26.277 ( 0.000 0.004 1.032) 1.032 26.691 ( 0.000 -0.524 -19.206) 19.213 26.691 ( 0.000 -0.524 19.206) 19.213 27.433 ( 0.000 -2.079 -4.043) 4.546 27.433 ( 0.000 -2.079 4.043) 4.546 27.750 ( 0.000 -0.783 -5.008) 5.069 27.750 ( 0.000 -0.783 5.008) 5.069 27.757 ( 0.000 -1.441 -6.108) 6.276 27.757 ( 0.000 -1.441 6.108) 6.276 28.295 ( 0.000 -2.036 -8.795) 9.028 28.295 ( 0.000 -2.036 8.795) 9.028 28.341 ( 0.000 -0.198 -3.034) 3.040 28.341 ( 0.000 -0.198 3.034) 3.040 29.110 ( 0.000 -0.580 -10.223) 10.239 29.110 ( 0.000 -0.580 10.223) 10.239 29.138 ( 0.000 -0.103 -17.838) 17.839 29.138 ( 0.000 -0.103 17.838) 17.839 29.460 ( 0.000 -1.015 -6.782) 6.857 29.460 ( 0.000 -1.015 6.782) 6.857 30.282 ( 0.000 -1.910 -2.934) 3.501 30.282 ( 0.000 -1.910 2.934) 3.501 30.490 ( 0.000 -0.632 -10.115) 10.135 30.490 ( 0.000 -0.632 10.115) 10.135 30.566 ( 0.000 -0.279 -2.959) 2.972 30.566 ( 0.000 -0.279 2.959) 2.972 30.968 ( 0.000 -0.237 -11.919) 11.921 30.968 ( 0.000 -0.237 11.919) 11.921 30.979 ( 0.000 -1.157 -6.120) 6.228 30.979 ( 0.000 -1.157 6.120) 6.228 31.313 ( 0.000 -1.121 -1.378) 1.776 31.313 ( 0.000 -1.121 1.378) 1.776 31.445 ( 0.000 -0.466 -13.910) 13.918 31.445 ( 0.000 -0.466 13.910) 13.918 31.890 ( 0.000 -0.909 -4.342) 4.436 31.890 ( 0.000 -0.909 4.342) 4.436 32.811 ( 0.000 -1.629 -15.053) 15.141 32.811 ( 0.000 -1.629 15.053) 15.141 32.965 ( 0.000 -1.728 -15.810) 15.904 32.965 ( 0.000 -1.728 15.810) 15.904 33.363 ( 0.000 -0.515 -3.483) 3.520 33.363 ( 0.000 -0.515 3.483) 3.520 34.127 ( 0.000 -1.652 -7.844) 8.016 34.127 ( 0.000 -1.652 7.844) 8.016 35.730 ( 0.000 -6.320 -27.021) 27.751 35.730 ( 0.000 -6.320 27.021) 27.751 ======================= Grid point 162 (53/54) ======================= q-point: ( 0.25 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 0.619 5.335 -2.656) 5.991 2.419 ( 0.619 5.335 2.656) 5.991 2.543 ( 1.820 -1.279 -3.378) 4.045 2.543 ( 1.820 -1.279 3.378) 4.045 2.851 ( 0.368 3.031 -3.092) 4.345 2.851 ( 0.368 3.031 3.092) 4.345 2.980 ( -1.506 -0.081 -2.829) 3.206 2.980 ( -1.506 -0.081 2.829) 3.206 3.040 ( 4.178 -0.991 -1.507) 4.551 3.040 ( 4.178 -0.991 1.507) 4.551 3.273 ( -1.196 -0.356 -0.511) 1.349 3.273 ( -1.196 -0.356 0.511) 1.349 3.359 ( -1.325 5.201 -0.715) 5.414 3.359 ( -1.325 5.201 0.715) 5.414 3.434 ( 2.071 3.982 -2.123) 4.965 3.434 ( 2.071 3.982 2.123) 4.965 3.536 ( 4.076 2.621 -1.786) 5.165 3.536 ( 4.076 2.621 1.786) 5.165 3.591 ( 2.243 1.169 -2.284) 3.408 3.591 ( 2.243 1.169 2.284) 3.408 3.747 ( -2.985 -2.852 -4.740) 6.286 3.747 ( -2.985 -2.852 4.740) 6.286 3.973 ( 1.910 -0.682 -5.043) 5.436 3.973 ( 1.910 -0.682 5.043) 5.436 4.107 ( -0.687 -0.834 -1.426) 1.789 4.107 ( -0.687 -0.834 1.426) 1.789 4.359 ( 4.385 2.849 -4.705) 7.034 4.359 ( 4.385 2.849 4.705) 7.034 4.449 ( 0.901 -0.125 -5.081) 5.162 4.449 ( 0.901 -0.125 5.081) 5.162 4.624 ( -11.732 -2.251 -7.298) 13.999 4.624 ( -11.732 -2.251 7.298) 13.999 5.157 ( 7.251 -1.544 -1.818) 7.633 5.157 ( 7.251 -1.544 1.818) 7.633 5.640 ( -7.613 -0.352 -1.280) 7.727 5.640 ( -7.613 -0.352 1.280) 7.727 6.014 ( -5.949 -3.637 -1.360) 7.104 6.014 ( -5.949 -3.637 1.360) 7.104 6.401 ( 6.490 -0.657 -8.440) 10.667 6.401 ( 6.490 -0.657 8.440) 10.667 6.720 ( 14.041 -1.373 -10.385) 17.519 6.720 ( 14.041 -1.373 10.385) 17.519 6.826 ( 2.695 -2.079 -2.108) 4.004 6.826 ( 2.695 -2.079 2.108) 4.004 7.015 ( 4.773 -0.737 -3.260) 5.827 7.015 ( 4.773 -0.737 3.260) 5.827 7.235 ( 4.285 -1.255 -11.381) 12.225 7.235 ( 4.285 -1.255 11.381) 12.225 7.616 ( -8.598 -0.724 -9.825) 13.076 7.616 ( -8.598 -0.724 9.825) 13.076 7.844 ( -2.319 -3.486 -6.986) 8.144 7.844 ( -2.319 -3.486 6.986) 8.144 8.127 ( -8.384 0.608 -3.440) 9.083 8.127 ( -8.384 0.609 3.440) 9.083 8.265 ( 5.858 0.840 -4.722) 7.571 8.265 ( 5.858 0.840 4.722) 7.571 8.442 ( -2.084 -0.241 -3.729) 4.278 8.442 ( -2.084 -0.241 3.729) 4.278 8.586 ( 4.275 -1.400 -12.421) 13.210 8.586 ( 4.275 -1.400 12.421) 13.210 8.987 ( -6.604 1.167 -2.036) 7.009 8.987 ( -6.604 1.167 2.036) 7.009 9.041 ( -6.803 -0.171 -5.077) 8.490 9.041 ( -6.802 -0.171 5.077) 8.490 9.485 ( 2.850 -0.462 -3.823) 4.791 9.485 ( 2.850 -0.462 3.824) 4.791 9.792 ( -13.640 -0.206 -3.532) 14.091 9.792 ( -13.640 -0.206 3.532) 14.091 9.952 ( 3.389 0.274 -2.705) 4.345 9.952 ( 3.389 0.274 2.705) 4.345 9.976 ( -4.697 -1.363 -2.939) 5.706 9.976 ( -4.697 -1.363 2.939) 5.706 10.378 ( -0.035 -0.984 -0.916) 1.344 10.378 ( -0.036 -0.984 0.916) 1.345 10.609 ( -1.669 -0.763 -1.183) 2.184 10.609 ( -1.669 -0.763 1.183) 2.184 10.783 ( -7.475 -0.662 -11.286) 13.553 10.783 ( -7.475 -0.662 11.286) 13.553 11.052 ( 5.488 -1.166 -1.989) 5.953 11.052 ( 5.488 -1.166 1.989) 5.953 11.218 ( 10.230 -0.415 -3.063) 10.687 11.218 ( 10.230 -0.415 3.063) 10.687 11.530 ( -6.477 -0.915 -11.200) 12.971 11.530 ( -6.477 -0.915 11.200) 12.971 11.983 ( 2.781 -0.050 -1.074) 2.981 11.983 ( 2.781 -0.050 1.074) 2.981 12.119 ( 4.973 0.248 -2.638) 5.634 12.119 ( 4.973 0.248 2.638) 5.634 12.201 ( 1.734 -0.429 -4.345) 4.698 12.201 ( 1.734 -0.429 4.345) 4.698 12.380 ( 0.300 1.050 -8.857) 8.924 12.380 ( 0.300 1.050 8.857) 8.924 12.431 ( -0.488 -0.736 -7.334) 7.387 12.431 ( -0.488 -0.736 7.334) 7.387 12.563 ( 0.081 1.045 -0.759) 1.294 12.563 ( 0.081 1.045 0.759) 1.294 12.703 ( -7.329 -1.275 -8.229) 11.093 12.703 ( -7.329 -1.275 8.229) 11.093 13.054 ( 5.152 0.477 -7.509) 9.119 13.054 ( 5.152 0.477 7.509) 9.119 13.078 ( 5.212 -1.423 -1.457) 5.596 13.078 ( 5.212 -1.423 1.457) 5.596 13.247 ( -3.506 0.929 -13.256) 13.743 13.247 ( -3.506 0.929 13.256) 13.743 13.537 ( 16.971 -0.364 -11.071) 20.266 13.537 ( 16.971 -0.364 11.071) 20.266 13.947 ( 5.495 0.375 -6.643) 8.629 13.947 ( 5.495 0.375 6.643) 8.629 14.108 ( -4.220 0.110 -5.761) 7.142 14.108 ( -4.220 0.110 5.761) 7.142 14.486 ( -1.815 -0.358 -24.595) 24.665 14.486 ( -1.815 -0.358 24.595) 24.665 14.705 ( -0.959 -0.022 -12.161) 12.199 14.705 ( -0.959 -0.022 12.161) 12.199 15.066 ( 6.388 0.178 -7.758) 10.051 15.066 ( 6.388 0.178 7.758) 10.051 15.170 ( -5.460 -0.101 -8.308) 9.942 15.170 ( -5.460 -0.101 8.308) 9.942 15.815 ( 3.125 0.284 -3.882) 4.992 15.815 ( 3.125 0.284 3.882) 4.992 15.995 ( -9.316 0.701 -3.659) 10.034 15.995 ( -9.316 0.701 3.659) 10.034 16.217 ( 1.282 0.212 -2.094) 2.464 16.217 ( 1.282 0.212 2.094) 2.464 16.590 ( -14.993 -0.207 -3.522) 15.403 16.590 ( -14.993 -0.207 3.522) 15.403 16.932 ( -8.010 -0.076 -4.360) 9.119 16.932 ( -8.010 -0.076 4.360) 9.119 17.589 ( 6.273 0.022 -3.320) 7.098 17.589 ( 6.273 0.022 3.320) 7.098 17.620 ( -2.459 -0.412 -4.912) 5.508 17.620 ( -2.459 -0.412 4.912) 5.508 17.841 ( -2.761 0.178 -2.336) 3.621 17.841 ( -2.761 0.178 2.336) 3.621 17.945 ( -6.136 -0.458 -1.903) 6.441 17.945 ( -6.136 -0.458 1.903) 6.441 18.232 ( 14.480 0.509 -3.871) 14.997 18.232 ( 14.480 0.509 3.871) 14.997 18.378 ( 4.157 0.227 -0.370) 4.179 18.378 ( 4.157 0.227 0.370) 4.179 18.523 ( 0.595 0.137 -0.889) 1.078 18.523 ( 0.595 0.137 0.889) 1.078 18.713 ( -4.540 0.022 -2.637) 5.250 18.713 ( -4.540 0.022 2.637) 5.250 18.901 ( 5.836 0.242 -0.798) 5.895 18.901 ( 5.836 0.242 0.798) 5.895 19.494 ( 5.106 0.179 -3.598) 6.248 19.494 ( 5.106 0.179 3.598) 6.248 19.738 ( 16.842 0.282 -11.100) 20.173 19.738 ( 16.842 0.282 11.100) 20.173 19.987 ( -6.184 0.119 -1.249) 6.310 19.987 ( -6.184 0.119 1.249) 6.310 20.185 ( -5.444 -0.468 -2.493) 6.006 20.185 ( -5.444 -0.468 2.494) 6.006 20.352 ( -0.601 -0.273 -0.376) 0.759 20.352 ( -0.601 -0.273 0.376) 0.759 20.706 ( -12.232 -0.187 -1.429) 12.317 20.706 ( -12.232 -0.187 1.429) 12.316 20.718 ( 8.079 -0.120 -0.890) 8.129 20.718 ( 8.079 -0.120 0.890) 8.129 20.910 ( -4.883 -0.246 -4.514) 6.654 20.910 ( -4.883 -0.246 4.514) 6.654 21.105 ( -5.454 -0.375 -5.063) 7.451 21.105 ( -5.454 -0.375 5.063) 7.451 21.891 ( 8.916 0.075 -2.128) 9.167 21.891 ( 8.916 0.075 2.128) 9.167 22.343 ( -2.543 -0.016 -2.949) 3.894 22.343 ( -2.543 -0.016 2.950) 3.894 22.641 ( -3.290 0.373 -8.594) 9.209 22.641 ( -3.290 0.373 8.594) 9.209 22.758 ( 3.500 -0.111 -3.732) 5.117 22.758 ( 3.500 -0.111 3.732) 5.117 23.124 ( 4.598 0.878 -0.509) 4.709 23.124 ( 4.598 0.878 0.509) 4.709 23.408 ( -10.749 -0.085 -12.269) 16.312 23.408 ( -10.749 -0.085 12.269) 16.312 23.480 ( -1.567 0.301 -9.203) 9.340 23.480 ( -1.567 0.301 9.203) 9.340 23.788 ( -5.308 0.195 -1.824) 5.616 23.788 ( -5.308 0.195 1.824) 5.616 23.863 ( -3.673 0.715 -2.648) 4.584 23.863 ( -3.673 0.715 2.648) 4.584 24.377 ( 12.030 0.368 -8.254) 14.594 24.377 ( 12.030 0.368 8.254) 14.594 24.656 ( 19.367 -0.488 -0.373) 19.377 24.656 ( 19.367 -0.488 0.373) 19.377 24.984 ( -9.376 0.792 -10.757) 14.292 24.984 ( -9.376 0.792 10.757) 14.292 25.177 ( 10.042 -0.296 -12.969) 16.405 25.177 ( 10.042 -0.296 12.969) 16.405 25.564 ( 3.999 -0.077 -6.093) 7.289 25.564 ( 3.999 -0.077 6.093) 7.289 25.766 ( 14.545 -0.107 -12.582) 19.232 25.766 ( 14.545 -0.107 12.582) 19.232 26.287 ( 0.977 -0.115 -1.300) 1.631 26.287 ( 0.977 -0.115 1.300) 1.631 26.549 ( -16.144 -0.973 -15.966) 22.727 26.549 ( -16.144 -0.973 15.966) 22.727 26.910 ( -34.259 -2.083 -7.418) 35.114 26.910 ( -34.259 -2.083 7.418) 35.114 27.747 ( 6.055 -0.211 -9.072) 10.909 27.747 ( 6.055 -0.211 9.072) 10.909 27.966 ( 4.065 -1.432 -6.100) 7.469 27.966 ( 4.065 -1.432 6.100) 7.469 28.174 ( -10.288 -0.849 -3.014) 10.754 28.174 ( -10.288 -0.849 3.014) 10.754 28.527 ( 14.613 -1.020 -3.429) 15.045 28.527 ( 14.613 -1.020 3.429) 15.045 28.969 ( -6.161 -0.339 -1.328) 6.311 28.969 ( -6.161 -0.339 1.328) 6.311 29.160 ( -4.473 -0.855 -1.712) 4.866 29.160 ( -4.473 -0.855 1.712) 4.866 29.630 ( 14.894 -0.641 -1.695) 15.004 29.630 ( 14.894 -0.641 1.695) 15.004 30.302 ( -0.529 -1.510 -2.939) 3.347 30.302 ( -0.529 -1.510 2.939) 3.347 30.476 ( 1.296 -0.666 -6.441) 6.604 30.476 ( 1.296 -0.666 6.441) 6.604 30.584 ( 0.675 -0.401 -3.076) 3.174 30.584 ( 0.675 -0.401 3.076) 3.174 30.850 ( -10.149 -1.074 -3.893) 10.923 30.850 ( -10.149 -1.074 3.893) 10.923 31.024 ( 4.099 -0.451 -9.164) 10.049 31.024 ( 4.099 -0.451 9.164) 10.049 31.328 ( 2.544 -0.994 -0.209) 2.739 31.328 ( 2.544 -0.994 0.209) 2.740 31.472 ( 0.085 -1.010 -7.687) 7.754 31.472 ( 0.085 -1.010 7.687) 7.754 31.932 ( 4.498 -0.446 -5.047) 6.775 31.932 ( 4.498 -0.446 5.047) 6.775 32.532 ( -17.316 -1.640 -12.118) 21.198 32.532 ( -17.316 -1.640 12.118) 21.198 33.050 ( 2.370 -1.444 -8.276) 8.729 33.050 ( 2.370 -1.444 8.276) 8.729 33.437 ( 4.287 -0.545 -0.437) 4.343 33.437 ( 4.287 -0.545 0.437) 4.343 34.303 ( 15.531 -2.827 -9.282) 18.313 34.303 ( 15.531 -2.827 9.282) 18.313 35.607 ( -11.064 -5.389 -22.210) 25.392 35.607 ( -11.064 -5.389 22.210) 25.392 ======================= Grid point 164 (54/54) ======================= q-point: (-0.50 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 0.000 7.474 -1.555) 7.634 2.430 ( 0.000 7.474 1.555) 7.634 2.563 ( 0.000 -3.891 -1.275) 4.095 2.563 ( 0.000 -3.891 1.275) 4.095 2.876 ( 0.000 3.910 -1.456) 4.172 2.876 ( 0.000 3.910 1.456) 4.172 2.935 ( -0.000 0.621 -3.918) 3.967 2.935 ( -0.000 0.621 3.918) 3.967 3.094 ( -0.000 -0.921 -0.814) 1.229 3.094 ( 0.000 -0.921 0.814) 1.229 3.249 ( 0.000 -0.361 -0.383) 0.527 3.249 ( 0.000 -0.361 0.383) 0.527 3.344 ( 0.000 3.816 -0.443) 3.841 3.344 ( 0.000 3.816 0.443) 3.842 3.455 ( 0.000 4.384 -0.453) 4.408 3.455 ( 0.000 4.384 0.453) 4.408 3.607 ( -0.000 3.811 -0.170) 3.815 3.607 ( -0.000 3.811 0.170) 3.815 3.632 ( 0.000 2.123 -0.732) 2.246 3.632 ( 0.000 2.123 0.732) 2.246 3.710 ( -0.000 -5.087 -1.456) 5.291 3.710 ( -0.000 -5.086 1.456) 5.291 3.939 ( 0.000 -0.336 -0.728) 0.802 3.939 ( 0.000 -0.336 0.728) 0.802 4.210 ( -0.000 0.740 -3.712) 3.785 4.210 ( -0.000 0.740 3.712) 3.785 4.332 ( 0.000 -2.013 -0.068) 2.014 4.332 ( 0.000 -2.013 0.068) 2.014 4.444 ( 0.000 0.301 -1.640) 1.667 4.444 ( 0.000 0.301 1.640) 1.667 4.513 ( 0.000 0.570 -4.287) 4.325 4.513 ( -0.000 0.570 4.287) 4.325 5.259 ( 0.000 -1.226 -1.078) 1.633 5.259 ( 0.000 -1.226 1.078) 1.633 5.528 ( -0.000 -1.137 -1.074) 1.564 5.528 ( -0.000 -1.137 1.074) 1.564 5.945 ( 0.000 -3.393 -0.322) 3.408 5.945 ( 0.000 -3.393 0.322) 3.408 6.468 ( 0.000 -0.822 -1.060) 1.341 6.468 ( 0.000 -0.822 1.060) 1.341 6.773 ( -0.000 -3.547 -0.725) 3.620 6.773 ( -0.000 -3.547 0.725) 3.620 6.933 ( 0.000 0.670 -1.495) 1.639 6.933 ( 0.000 0.670 1.495) 1.639 7.143 ( -0.000 -1.909 -1.838) 2.650 7.143 ( -0.000 -1.909 1.838) 2.650 7.354 ( 0.000 -0.534 -1.731) 1.811 7.354 ( 0.000 -0.534 1.731) 1.812 7.524 ( 0.000 -0.314 -0.816) 0.874 7.524 ( 0.000 -0.314 0.816) 0.874 7.836 ( 0.000 -2.958 -3.484) 4.570 7.836 ( 0.000 -2.958 3.484) 4.570 7.916 ( 0.000 -0.711 -2.827) 2.915 7.916 ( 0.000 -0.711 2.827) 2.915 8.369 ( 0.000 4.307 -12.738) 13.446 8.369 ( 0.000 4.307 12.738) 13.446 8.446 ( 0.000 -2.918 -11.037) 11.416 8.446 ( -0.000 -2.918 11.037) 11.416 8.650 ( 0.000 0.390 -1.549) 1.597 8.650 ( 0.000 0.390 1.549) 1.597 8.770 ( -0.000 -1.711 -0.525) 1.790 8.770 ( -0.000 -1.712 0.525) 1.790 8.946 ( 0.000 -0.962 -1.160) 1.507 8.946 ( 0.000 -0.962 1.160) 1.507 9.496 ( 0.000 0.432 -1.394) 1.459 9.496 ( 0.000 0.432 1.394) 1.459 9.728 ( 0.000 0.692 -0.341) 0.771 9.728 ( 0.000 0.692 0.341) 0.771 9.869 ( -0.000 -0.824 -1.116) 1.387 9.869 ( -0.000 -0.824 1.116) 1.387 10.037 ( 0.000 -0.441 -0.280) 0.522 10.037 ( 0.000 -0.441 0.280) 0.522 10.411 ( 0.000 -1.268 -1.878) 2.265 10.411 ( 0.000 -1.268 1.878) 2.266 10.603 ( -0.000 -1.179 -1.130) 1.633 10.603 ( -0.000 -1.179 1.130) 1.633 10.692 ( 0.000 -0.243 -0.911) 0.943 10.692 ( 0.000 -0.243 0.911) 0.943 11.071 ( 0.000 -0.710 -1.670) 1.815 11.071 ( 0.000 -0.710 1.670) 1.815 11.371 ( 0.000 1.527 -2.226) 2.700 11.371 ( 0.000 1.527 2.226) 2.700 11.419 ( -0.000 -3.239 -2.144) 3.884 11.419 ( -0.000 -3.239 2.144) 3.884 12.024 ( 0.000 1.392 -2.050) 2.478 12.024 ( 0.000 1.392 2.050) 2.478 12.204 ( -0.000 1.250 -2.648) 2.928 12.204 ( -0.000 1.250 2.648) 2.928 12.283 ( 0.000 -0.848 -0.177) 0.866 12.283 ( 0.000 -0.848 0.177) 0.866 12.287 ( -0.000 -1.004 -5.133) 5.230 12.287 ( -0.000 -1.004 5.133) 5.230 12.403 ( 0.000 -0.145 -2.790) 2.794 12.403 ( 0.000 -0.145 2.790) 2.794 12.519 ( -0.000 -1.110 -2.185) 2.451 12.519 ( -0.000 -1.110 2.185) 2.451 12.692 ( 0.000 -0.166 -1.221) 1.232 12.692 ( 0.000 -0.166 1.221) 1.232 13.064 ( -0.000 0.670 -1.262) 1.428 13.064 ( -0.000 0.670 1.262) 1.428 13.185 ( 0.000 -1.014 -0.138) 1.023 13.185 ( 0.000 -1.014 0.138) 1.023 13.250 ( 0.000 1.506 -1.348) 2.021 13.250 ( -0.000 1.506 1.348) 2.021 13.724 ( 0.000 -0.055 -0.462) 0.465 13.724 ( 0.000 -0.056 0.462) 0.465 13.909 ( -0.000 0.205 -1.221) 1.238 13.909 ( -0.000 0.205 1.221) 1.238 14.132 ( 0.000 -1.073 -1.269) 1.662 14.132 ( 0.000 -1.073 1.269) 1.662 14.471 ( -0.000 -0.074 -0.514) 0.519 14.471 ( -0.000 -0.074 0.514) 0.519 14.733 ( 0.000 0.375 -3.571) 3.591 14.733 ( 0.000 0.375 3.571) 3.591 14.986 ( -0.000 -0.446 -1.871) 1.924 14.986 ( 0.000 -0.446 1.871) 1.924 15.264 ( -0.000 0.349 -0.187) 0.396 15.264 ( -0.000 0.349 0.187) 0.396 15.789 ( 0.000 0.388 -1.495) 1.544 15.789 ( 0.000 0.388 1.495) 1.544 16.004 ( 0.000 1.623 -4.392) 4.682 16.004 ( 0.000 1.623 4.392) 4.682 16.051 ( -0.000 -0.819 -4.940) 5.007 16.051 ( -0.000 -0.819 4.940) 5.007 16.497 ( 0.000 -0.113 -0.323) 0.342 16.497 ( 0.000 -0.113 0.323) 0.342 16.832 ( 0.000 -0.088 -0.438) 0.447 16.832 ( 0.000 -0.088 0.438) 0.447 17.587 ( 0.000 -0.576 -2.396) 2.464 17.587 ( -0.000 -0.576 2.396) 2.464 17.691 ( 0.000 -0.129 -0.675) 0.688 17.691 ( 0.000 -0.129 0.675) 0.688 17.776 ( 0.000 -0.076 -0.632) 0.637 17.776 ( 0.000 -0.076 0.632) 0.637 17.886 ( 0.000 -0.280 -1.463) 1.489 17.886 ( 0.000 -0.280 1.463) 1.489 18.418 ( 0.000 0.674 -0.367) 0.767 18.418 ( 0.000 0.674 0.367) 0.767 18.426 ( -0.000 1.115 -0.448) 1.202 18.426 ( -0.000 1.115 0.448) 1.202 18.527 ( 0.000 -0.344 -1.606) 1.642 18.527 ( 0.000 -0.344 1.606) 1.642 18.633 ( 0.000 -0.517 -0.107) 0.528 18.633 ( 0.000 -0.517 0.107) 0.528 18.978 ( 0.000 0.384 -0.991) 1.063 18.978 ( 0.000 0.384 0.991) 1.063 19.587 ( 0.000 -0.206 -0.319) 0.380 19.587 ( -0.000 -0.206 0.319) 0.380 19.826 ( 0.000 0.280 -0.061) 0.287 19.826 ( 0.000 0.280 0.061) 0.287 20.087 ( 0.000 0.775 -0.642) 1.006 20.087 ( -0.000 0.775 0.642) 1.006 20.137 ( -0.000 -0.271 -0.172) 0.321 20.137 ( -0.000 -0.271 0.172) 0.321 20.309 ( 0.000 -0.380 -0.308) 0.489 20.309 ( 0.000 -0.380 0.308) 0.489 20.412 ( 0.000 -0.573 -0.315) 0.653 20.412 ( 0.000 -0.573 0.315) 0.653 20.905 ( 0.000 -0.255 -0.908) 0.943 20.905 ( 0.000 -0.255 0.908) 0.943 20.923 ( -0.000 0.307 -1.472) 1.504 20.923 ( -0.000 0.307 1.472) 1.504 20.971 ( -0.000 -0.529 -1.386) 1.484 20.971 ( -0.000 -0.529 1.386) 1.484 21.936 ( -0.000 -0.234 -0.821) 0.854 21.936 ( -0.000 -0.234 0.821) 0.854 22.334 ( 0.000 0.279 -0.587) 0.650 22.334 ( 0.000 0.279 0.587) 0.650 22.616 ( 0.000 0.495 -0.150) 0.517 22.616 ( 0.000 0.495 0.150) 0.517 22.840 ( 0.000 -0.507 -0.061) 0.511 22.840 ( 0.000 -0.507 0.061) 0.511 23.171 ( -0.000 0.843 -1.143) 1.420 23.171 ( -0.000 0.843 1.143) 1.420 23.243 ( -0.000 0.120 -0.892) 0.900 23.243 ( 0.000 0.120 0.892) 0.900 23.472 ( 0.000 0.314 -0.081) 0.324 23.472 ( -0.000 0.314 0.081) 0.324 23.715 ( 0.000 0.048 -0.371) 0.374 23.715 ( 0.000 0.048 0.371) 0.374 23.841 ( 0.000 0.899 -0.436) 1.000 23.841 ( 0.000 0.899 0.436) 1.000 24.535 ( 0.000 0.947 -0.147) 0.959 24.535 ( 0.000 0.947 0.147) 0.959 24.800 ( 0.000 -0.697 -0.780) 1.046 24.800 ( 0.000 -0.697 0.780) 1.046 24.902 ( 0.000 0.850 -0.423) 0.949 24.902 ( 0.000 0.850 0.423) 0.949 25.501 ( 0.000 -1.248 -0.809) 1.487 25.501 ( 0.000 -1.248 0.809) 1.487 25.571 ( 0.000 -0.164 -0.620) 0.641 25.571 ( 0.000 -0.164 0.620) 0.641 26.000 ( -0.000 0.063 -1.075) 1.077 26.000 ( -0.000 0.063 1.075) 1.077 26.085 ( -0.000 -2.892 -0.551) 2.944 26.085 ( -0.000 -2.892 0.551) 2.944 26.415 ( -0.000 -0.128 -3.626) 3.628 26.415 ( -0.000 -0.128 3.626) 3.628 26.487 ( 0.000 -0.405 -2.550) 2.582 26.487 ( 0.000 -0.405 2.550) 2.582 27.885 ( -0.000 0.790 -4.659) 4.726 27.885 ( -0.000 0.790 4.659) 4.725 27.959 ( 0.000 -2.124 -4.305) 4.800 27.959 ( 0.000 -2.124 4.305) 4.800 28.019 ( 0.000 -1.130 -0.792) 1.380 28.019 ( 0.000 -1.130 0.792) 1.380 28.736 ( 0.000 -0.204 -0.053) 0.211 28.736 ( 0.000 -0.204 0.053) 0.211 28.878 ( -0.000 -0.950 -0.254) 0.983 28.878 ( -0.000 -0.950 0.254) 0.983 29.084 ( 0.000 -0.867 -0.460) 0.981 29.084 ( 0.000 -0.867 0.460) 0.981 29.837 ( 0.000 -0.456 -0.233) 0.512 29.837 ( 0.000 -0.456 0.233) 0.512 30.252 ( -0.000 -1.414 -0.276) 1.441 30.252 ( -0.000 -1.414 0.276) 1.441 30.538 ( 0.000 1.140 -0.201) 1.158 30.538 ( 0.000 1.140 0.201) 1.158 30.589 ( 0.000 -2.176 -0.064) 2.177 30.589 ( 0.000 -2.176 0.064) 2.177 30.697 ( -0.000 -1.190 -0.215) 1.209 30.697 ( 0.000 -1.190 0.215) 1.209 31.081 ( -0.000 -0.508 -0.673) 0.843 31.081 ( -0.000 -0.508 0.673) 0.843 31.383 ( -0.000 -0.282 -1.553) 1.579 31.383 ( -0.000 -0.282 1.553) 1.579 31.439 ( 0.000 -2.107 -2.574) 3.326 31.439 ( 0.000 -2.107 2.574) 3.326 32.015 ( -0.000 0.528 -1.957) 2.027 32.015 ( -0.000 0.528 1.957) 2.027 32.316 ( 0.000 -2.205 -2.015) 2.987 32.316 ( 0.000 -2.205 2.015) 2.987 33.068 ( 0.000 -1.339 -0.584) 1.461 33.068 ( 0.000 -1.339 0.584) 1.461 33.478 ( 0.000 -0.439 -0.355) 0.565 33.478 ( 0.000 -0.439 0.355) 0.565 34.522 ( 0.000 -4.437 -2.087) 4.903 34.522 ( 0.000 -4.437 2.087) 4.903 35.444 ( 0.000 -3.936 -1.172) 4.106 35.444 ( 0.000 -3.936 1.172) 4.106 =================== 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 3/42240 10.0 1625.176 1729.479 1446.788 0.000 0.000 0.000 3/42240 20.0 395.259 214.251 462.627 0.000 0.000 -0.000 3/42240 30.0 166.201 90.809 197.333 0.000 0.000 -0.000 3/42240 40.0 93.282 54.734 111.867 0.000 0.000 -0.000 3/42240 50.0 61.269 37.391 73.503 0.000 0.000 -0.000 3/42240 60.0 44.060 27.375 52.634 0.000 0.000 -0.000 3/42240 70.0 33.599 21.046 39.946 0.000 0.000 -0.000 3/42240 80.0 26.725 16.800 31.647 0.000 0.000 -0.000 3/42240 90.0 21.954 13.815 25.920 0.000 0.000 -0.000 3/42240 100.0 18.501 11.637 21.797 0.000 0.000 -0.000 3/42240 110.0 15.917 9.996 18.726 0.000 0.000 -0.000 3/42240 120.0 13.927 8.728 16.370 0.000 0.000 -0.000 3/42240 130.0 12.358 7.725 14.519 0.000 0.000 -0.000 3/42240 140.0 11.094 6.915 13.032 0.000 0.000 -0.000 3/42240 150.0 10.058 6.251 11.816 0.000 0.000 -0.000 3/42240 160.0 9.195 5.697 10.805 0.000 0.000 -0.000 3/42240 170.0 8.467 5.230 9.953 0.000 0.000 -0.000 3/42240 180.0 7.846 4.832 9.226 0.000 0.000 -0.000 3/42240 190.0 7.309 4.488 8.599 0.000 0.000 -0.000 3/42240 200.0 6.842 4.189 8.053 0.000 0.000 -0.000 3/42240 210.0 6.433 3.927 7.574 0.000 0.000 -0.000 3/42240 220.0 6.070 3.696 7.150 0.000 0.000 -0.000 3/42240 230.0 5.748 3.490 6.772 0.000 0.000 -0.000 3/42240 240.0 5.459 3.307 6.434 0.000 0.000 -0.000 3/42240 250.0 5.199 3.142 6.129 0.000 0.000 -0.000 3/42240 260.0 4.964 2.993 5.853 0.000 0.000 -0.000 3/42240 270.0 4.751 2.858 5.601 0.000 0.000 -0.000 3/42240 280.0 4.556 2.735 5.372 0.000 0.000 -0.000 3/42240 290.0 4.378 2.622 5.161 0.000 0.000 -0.000 3/42240 300.0 4.214 2.519 4.968 0.000 0.000 -0.000 3/42240 310.0 4.063 2.424 4.789 0.000 0.000 -0.000 3/42240 320.0 3.923 2.337 4.623 0.000 0.000 -0.000 3/42240 330.0 3.793 2.256 4.469 0.000 0.000 -0.000 3/42240 340.0 3.672 2.181 4.326 0.000 0.000 -0.000 3/42240 350.0 3.559 2.111 4.192 0.000 0.000 -0.000 3/42240 360.0 3.453 2.045 4.067 0.000 0.000 -0.000 3/42240 370.0 3.355 1.984 3.949 0.000 0.000 -0.000 3/42240 380.0 3.262 1.927 3.839 0.000 0.000 -0.000 3/42240 390.0 3.174 1.873 3.735 0.000 0.000 -0.000 3/42240 400.0 3.092 1.823 3.637 0.000 0.000 -0.000 3/42240 410.0 3.014 1.775 3.544 0.000 0.000 -0.000 3/42240 420.0 2.940 1.730 3.456 0.000 0.000 -0.000 3/42240 430.0 2.870 1.687 3.373 0.000 0.000 -0.000 3/42240 440.0 2.803 1.647 3.294 0.000 0.000 -0.000 3/42240 450.0 2.740 1.609 3.218 0.000 0.000 -0.000 3/42240 460.0 2.679 1.572 3.147 0.000 0.000 -0.000 3/42240 470.0 2.622 1.538 3.078 0.000 0.000 -0.000 3/42240 480.0 2.567 1.504 3.013 0.000 0.000 -0.000 3/42240 490.0 2.514 1.473 2.950 0.000 0.000 -0.000 3/42240 500.0 2.464 1.443 2.890 0.000 0.000 -0.000 3/42240 510.0 2.416 1.414 2.833 0.000 0.000 -0.000 3/42240 520.0 2.370 1.386 2.778 0.000 0.000 -0.000 3/42240 530.0 2.325 1.360 2.726 0.000 0.000 -0.000 3/42240 540.0 2.283 1.334 2.675 0.000 0.000 -0.000 3/42240 550.0 2.242 1.310 2.626 0.000 0.000 -0.000 3/42240 560.0 2.202 1.286 2.579 0.000 0.000 -0.000 3/42240 570.0 2.164 1.264 2.534 0.000 0.000 -0.000 3/42240 580.0 2.127 1.242 2.490 0.000 0.000 -0.000 3/42240 590.0 2.092 1.221 2.448 0.000 0.000 -0.000 3/42240 600.0 2.058 1.201 2.408 0.000 0.000 -0.000 3/42240 610.0 2.025 1.181 2.369 0.000 0.000 -0.000 3/42240 620.0 1.993 1.162 2.331 0.000 0.000 -0.000 3/42240 630.0 1.962 1.144 2.294 0.000 0.000 -0.000 3/42240 640.0 1.932 1.126 2.259 0.000 0.000 -0.000 3/42240 650.0 1.903 1.109 2.224 0.000 0.000 -0.000 3/42240 660.0 1.874 1.093 2.191 0.000 0.000 -0.000 3/42240 670.0 1.847 1.077 2.159 0.000 0.000 -0.000 3/42240 680.0 1.821 1.061 2.127 0.000 0.000 -0.000 3/42240 690.0 1.795 1.046 2.097 0.000 0.000 -0.000 3/42240 700.0 1.770 1.031 2.067 0.000 0.000 -0.000 3/42240 710.0 1.746 1.017 2.039 0.000 0.000 -0.000 3/42240 720.0 1.722 1.003 2.011 0.000 0.000 -0.000 3/42240 730.0 1.699 0.990 1.984 0.000 0.000 -0.000 3/42240 740.0 1.677 0.977 1.957 0.000 0.000 -0.000 3/42240 750.0 1.655 0.964 1.932 0.000 0.000 -0.000 3/42240 760.0 1.634 0.951 1.907 0.000 0.000 -0.000 3/42240 770.0 1.613 0.939 1.882 0.000 0.000 -0.000 3/42240 780.0 1.593 0.928 1.859 0.000 0.000 -0.000 3/42240 790.0 1.573 0.916 1.835 0.000 0.000 -0.000 3/42240 800.0 1.554 0.905 1.813 0.000 0.000 -0.000 3/42240 810.0 1.535 0.894 1.791 0.000 0.000 -0.000 3/42240 820.0 1.517 0.883 1.770 0.000 0.000 -0.000 3/42240 830.0 1.499 0.873 1.749 0.000 0.000 -0.000 3/42240 840.0 1.482 0.863 1.728 0.000 0.000 -0.000 3/42240 850.0 1.465 0.853 1.708 0.000 0.000 -0.000 3/42240 860.0 1.449 0.843 1.689 0.000 0.000 -0.000 3/42240 870.0 1.432 0.834 1.670 0.000 0.000 -0.000 3/42240 880.0 1.417 0.825 1.651 0.000 0.000 -0.000 3/42240 890.0 1.401 0.816 1.633 0.000 0.000 -0.000 3/42240 900.0 1.386 0.807 1.615 0.000 0.000 -0.000 3/42240 910.0 1.371 0.798 1.598 0.000 0.000 -0.000 3/42240 920.0 1.357 0.790 1.581 0.000 0.000 -0.000 3/42240 930.0 1.342 0.782 1.564 0.000 0.000 -0.000 3/42240 940.0 1.329 0.773 1.548 0.000 0.000 -0.000 3/42240 950.0 1.315 0.766 1.532 0.000 0.000 -0.000 3/42240 960.0 1.302 0.758 1.516 0.000 0.000 -0.000 3/42240 970.0 1.288 0.750 1.501 0.000 0.000 -0.000 3/42240 980.0 1.276 0.743 1.486 0.000 0.000 -0.000 3/42240 990.0 1.263 0.735 1.471 0.000 0.000 -0.000 3/42240 1000.0 1.251 0.728 1.457 0.000 0.000 -0.000 3/42240 Thermal conductivity related properties were written into "kappa-m4114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:44:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|