----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:48:34]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.089333580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.909882570000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792762979999999 Atomic positions (fractional): *1 La 0.11014253122901 0.75000000000000 0.27832653548351 138.905 *2 La 0.13201464203619 0.75000000000000 0.93676404349040 138.905 3 La 0.36798535796381 0.25000000000000 0.43676404349040 138.905 4 La 0.38985746877099 0.25000000000000 0.77832653548351 138.905 5 La 0.61014253122901 0.75000000000000 0.22167346451649 138.905 6 La 0.63201464203619 0.75000000000000 0.56323595650960 138.905 7 La 0.86798535796381 0.25000000000000 0.06323595650960 138.905 8 La 0.88985746877099 0.25000000000000 0.72167346451649 138.905 *9 Hf 0.17925989258878 0.75000000000000 0.61763078471560 178.490 10 Hf 0.32074010741122 0.25000000000000 0.11763078471560 178.490 11 Hf 0.67925989258878 0.75000000000000 0.88236921528440 178.490 12 Hf 0.82074010741122 0.25000000000000 0.38236921528440 178.490 *13 O 0.00340603113276 0.25000000000000 0.89820451526741 15.999 *14 O 0.01111273229511 0.75000000000000 0.66037804211027 15.999 *15 O 0.23659798829799 0.25000000000000 0.26771682348723 15.999 *16 O 0.23062523269855 0.75000000000000 0.45298122473912 15.999 *17 O 0.23729448489233 0.25000000000000 0.61396785701038 15.999 18 O 0.26270551510767 0.75000000000000 0.11396785701038 15.999 19 O 0.26937476730145 0.25000000000000 0.95298122473912 15.999 20 O 0.26340201170201 0.75000000000000 0.76771682348723 15.999 21 O 0.48888726770489 0.25000000000000 0.16037804211027 15.999 22 O 0.49659396886724 0.75000000000000 0.39820451526741 15.999 23 O 0.50340603113276 0.25000000000000 0.60179548473259 15.999 24 O 0.51111273229511 0.75000000000000 0.83962195788973 15.999 25 O 0.73659798829799 0.25000000000000 0.23228317651277 15.999 26 O 0.73062523269855 0.75000000000000 0.04701877526088 15.999 27 O 0.73729448489233 0.25000000000000 0.88603214298962 15.999 28 O 0.76270551510767 0.75000000000000 0.38603214298962 15.999 29 O 0.76937476730145 0.25000000000000 0.54701877526088 15.999 30 O 0.76340201170201 0.75000000000000 0.73228317651277 15.999 31 O 0.98888726770489 0.25000000000000 0.33962195788973 15.999 32 O 0.99659396886724 0.75000000000000 0.10179548473259 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.089333580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.909882570000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792762979999999 Atomic positions (fractional): *1 La 0.11014253122901 0.75000000000000 0.27832653548351 138.905 > 1 *2 La 0.13201464203619 0.75000000000000 0.93676404349040 138.905 > 2 3 La 0.36798535796381 0.25000000000000 0.43676404349040 138.905 > 3 4 La 0.38985746877099 0.25000000000000 0.77832653548351 138.905 > 4 5 La 0.61014253122901 0.75000000000000 0.22167346451649 138.905 > 5 6 La 0.63201464203619 0.75000000000000 0.56323595650960 138.905 > 6 7 La 0.86798535796381 0.25000000000000 0.06323595650960 138.905 > 7 8 La 0.88985746877099 0.25000000000000 0.72167346451649 138.905 > 8 *9 Hf 0.17925989258878 0.75000000000000 0.61763078471560 178.490 > 9 10 Hf 0.32074010741122 0.25000000000000 0.11763078471560 178.490 > 10 11 Hf 0.67925989258878 0.75000000000000 0.88236921528440 178.490 > 11 12 Hf 0.82074010741122 0.25000000000000 0.38236921528440 178.490 > 12 *13 O 0.00340603113276 0.25000000000000 0.89820451526741 15.999 > 13 *14 O 0.01111273229511 0.75000000000000 0.66037804211027 15.999 > 14 *15 O 0.23659798829799 0.25000000000000 0.26771682348723 15.999 > 15 *16 O 0.23062523269855 0.75000000000000 0.45298122473912 15.999 > 16 *17 O 0.23729448489233 0.25000000000000 0.61396785701038 15.999 > 17 18 O 0.26270551510767 0.75000000000000 0.11396785701038 15.999 > 18 19 O 0.26937476730145 0.25000000000000 0.95298122473912 15.999 > 19 20 O 0.26340201170201 0.75000000000000 0.76771682348723 15.999 > 20 21 O 0.48888726770489 0.25000000000000 0.16037804211027 15.999 > 21 22 O 0.49659396886724 0.75000000000000 0.39820451526741 15.999 > 22 23 O 0.50340603113276 0.25000000000000 0.60179548473259 15.999 > 23 24 O 0.51111273229511 0.75000000000000 0.83962195788973 15.999 > 24 25 O 0.73659798829799 0.25000000000000 0.23228317651277 15.999 > 25 26 O 0.73062523269855 0.75000000000000 0.04701877526088 15.999 > 26 27 O 0.73729448489233 0.25000000000000 0.88603214298962 15.999 > 27 28 O 0.76270551510767 0.75000000000000 0.38603214298962 15.999 > 28 29 O 0.76937476730145 0.25000000000000 0.54701877526088 15.999 > 29 30 O 0.76340201170201 0.75000000000000 0.73228317651277 15.999 > 30 31 O 0.98888726770489 0.25000000000000 0.33962195788973 15.999 > 31 32 O 0.99659396886724 0.75000000000000 0.10179548473259 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.089333580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.729647710000004 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792762979999999 Atomic positions (fractional): *1 La 0.11014253122901 0.25000000000000 0.27832653548351 138.905 > 1 2 La 0.11014253122901 0.58333333333333 0.27832653548351 138.905 > 1 3 La 0.11014253122901 0.91666666666667 0.27832653548351 138.905 > 1 *4 La 0.13201464203619 0.25000000000000 0.93676404349040 138.905 > 2 5 La 0.13201464203619 0.58333333333333 0.93676404349040 138.905 > 2 6 La 0.13201464203619 0.91666666666667 0.93676404349040 138.905 > 2 7 La 0.36798535796381 0.08333333333333 0.43676404349040 138.905 > 3 8 La 0.36798535796381 0.41666666666667 0.43676404349040 138.905 > 3 9 La 0.36798535796381 0.75000000000000 0.43676404349040 138.905 > 3 10 La 0.38985746877099 0.08333333333333 0.77832653548351 138.905 > 4 11 La 0.38985746877099 0.41666666666667 0.77832653548351 138.905 > 4 12 La 0.38985746877099 0.75000000000000 0.77832653548351 138.905 > 4 13 La 0.61014253122901 0.25000000000000 0.22167346451649 138.905 > 5 14 La 0.61014253122901 0.58333333333333 0.22167346451649 138.905 > 5 15 La 0.61014253122901 0.91666666666667 0.22167346451649 138.905 > 5 16 La 0.63201464203619 0.25000000000000 0.56323595650960 138.905 > 6 17 La 0.63201464203619 0.58333333333333 0.56323595650960 138.905 > 6 18 La 0.63201464203619 0.91666666666667 0.56323595650960 138.905 > 6 19 La 0.86798535796381 0.08333333333333 0.06323595650960 138.905 > 7 20 La 0.86798535796381 0.41666666666667 0.06323595650960 138.905 > 7 21 La 0.86798535796381 0.75000000000000 0.06323595650960 138.905 > 7 22 La 0.88985746877099 0.08333333333333 0.72167346451649 138.905 > 8 23 La 0.88985746877099 0.41666666666667 0.72167346451649 138.905 > 8 24 La 0.88985746877099 0.75000000000000 0.72167346451649 138.905 > 8 *25 Hf 0.17925989258878 0.25000000000000 0.61763078471560 178.490 > 9 26 Hf 0.17925989258878 0.58333333333333 0.61763078471560 178.490 > 9 27 Hf 0.17925989258878 0.91666666666667 0.61763078471560 178.490 > 9 28 Hf 0.32074010741122 0.08333333333333 0.11763078471560 178.490 > 10 29 Hf 0.32074010741122 0.41666666666667 0.11763078471560 178.490 > 10 30 Hf 0.32074010741122 0.75000000000000 0.11763078471560 178.490 > 10 31 Hf 0.67925989258878 0.25000000000000 0.88236921528440 178.490 > 11 32 Hf 0.67925989258878 0.58333333333333 0.88236921528440 178.490 > 11 33 Hf 0.67925989258878 0.91666666666667 0.88236921528440 178.490 > 11 34 Hf 0.82074010741122 0.08333333333333 0.38236921528440 178.490 > 12 35 Hf 0.82074010741122 0.41666666666667 0.38236921528440 178.490 > 12 36 Hf 0.82074010741122 0.75000000000000 0.38236921528440 178.490 > 12 *37 O 0.00340603113276 0.08333333333333 0.89820451526741 15.999 > 13 38 O 0.00340603113276 0.41666666666667 0.89820451526741 15.999 > 13 39 O 0.00340603113276 0.75000000000000 0.89820451526741 15.999 > 13 *40 O 0.01111273229511 0.25000000000000 0.66037804211027 15.999 > 14 41 O 0.01111273229511 0.58333333333333 0.66037804211027 15.999 > 14 42 O 0.01111273229511 0.91666666666667 0.66037804211027 15.999 > 14 *43 O 0.23659798829799 0.08333333333333 0.26771682348723 15.999 > 15 44 O 0.23659798829799 0.41666666666667 0.26771682348723 15.999 > 15 45 O 0.23659798829799 0.75000000000000 0.26771682348723 15.999 > 15 *46 O 0.23062523269855 0.25000000000000 0.45298122473912 15.999 > 16 47 O 0.23062523269855 0.58333333333333 0.45298122473912 15.999 > 16 48 O 0.23062523269855 0.91666666666667 0.45298122473912 15.999 > 16 *49 O 0.23729448489233 0.08333333333333 0.61396785701038 15.999 > 17 50 O 0.23729448489233 0.41666666666667 0.61396785701038 15.999 > 17 51 O 0.23729448489233 0.75000000000000 0.61396785701038 15.999 > 17 52 O 0.26270551510767 0.25000000000000 0.11396785701038 15.999 > 18 53 O 0.26270551510767 0.58333333333333 0.11396785701038 15.999 > 18 54 O 0.26270551510767 0.91666666666667 0.11396785701038 15.999 > 18 55 O 0.26937476730145 0.08333333333333 0.95298122473912 15.999 > 19 56 O 0.26937476730145 0.41666666666667 0.95298122473912 15.999 > 19 57 O 0.26937476730145 0.75000000000000 0.95298122473912 15.999 > 19 58 O 0.26340201170201 0.25000000000000 0.76771682348723 15.999 > 20 59 O 0.26340201170201 0.58333333333333 0.76771682348723 15.999 > 20 60 O 0.26340201170201 0.91666666666667 0.76771682348723 15.999 > 20 61 O 0.48888726770489 0.08333333333333 0.16037804211027 15.999 > 21 62 O 0.48888726770489 0.41666666666667 0.16037804211027 15.999 > 21 63 O 0.48888726770489 0.75000000000000 0.16037804211027 15.999 > 21 64 O 0.49659396886724 0.25000000000000 0.39820451526741 15.999 > 22 65 O 0.49659396886724 0.58333333333333 0.39820451526741 15.999 > 22 66 O 0.49659396886724 0.91666666666667 0.39820451526741 15.999 > 22 67 O 0.50340603113276 0.08333333333333 0.60179548473259 15.999 > 23 68 O 0.50340603113276 0.41666666666667 0.60179548473259 15.999 > 23 69 O 0.50340603113276 0.75000000000000 0.60179548473259 15.999 > 23 70 O 0.51111273229511 0.25000000000000 0.83962195788973 15.999 > 24 71 O 0.51111273229511 0.58333333333333 0.83962195788973 15.999 > 24 72 O 0.51111273229511 0.91666666666667 0.83962195788973 15.999 > 24 73 O 0.73659798829799 0.08333333333333 0.23228317651277 15.999 > 25 74 O 0.73659798829799 0.41666666666667 0.23228317651277 15.999 > 25 75 O 0.73659798829799 0.75000000000000 0.23228317651277 15.999 > 25 76 O 0.73062523269855 0.25000000000000 0.04701877526088 15.999 > 26 77 O 0.73062523269855 0.58333333333333 0.04701877526088 15.999 > 26 78 O 0.73062523269855 0.91666666666667 0.04701877526088 15.999 > 26 79 O 0.73729448489233 0.08333333333333 0.88603214298962 15.999 > 27 80 O 0.73729448489233 0.41666666666667 0.88603214298962 15.999 > 27 81 O 0.73729448489233 0.75000000000000 0.88603214298962 15.999 > 27 82 O 0.76270551510767 0.25000000000000 0.38603214298962 15.999 > 28 83 O 0.76270551510767 0.58333333333333 0.38603214298962 15.999 > 28 84 O 0.76270551510767 0.91666666666667 0.38603214298962 15.999 > 28 85 O 0.76937476730145 0.08333333333333 0.54701877526088 15.999 > 29 86 O 0.76937476730145 0.41666666666667 0.54701877526088 15.999 > 29 87 O 0.76937476730145 0.75000000000000 0.54701877526088 15.999 > 29 88 O 0.76340201170201 0.25000000000000 0.73228317651277 15.999 > 30 89 O 0.76340201170201 0.58333333333333 0.73228317651277 15.999 > 30 90 O 0.76340201170201 0.91666666666667 0.73228317651277 15.999 > 30 91 O 0.98888726770489 0.08333333333333 0.33962195788973 15.999 > 31 92 O 0.98888726770489 0.41666666666667 0.33962195788973 15.999 > 31 93 O 0.98888726770489 0.75000000000000 0.33962195788973 15.999 > 31 94 O 0.99659396886724 0.25000000000000 0.10179548473259 15.999 > 32 95 O 0.99659396886724 0.58333333333333 0.10179548473259 15.999 > 32 96 O 0.99659396886724 0.91666666666667 0.10179548473259 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2091193 0.0000000 0.0000000 0.0000000 4.3335495 0.0000000 0.0000000 0.0000000 4.2036009 -------------------------- Born effective charges -------------------------- 1 La 4.2607463 0.0000000 0.2815128 0.0000000 4.2649413 0.0000000 0.5316574 0.0000000 4.0037949 2 La 4.0336142 0.0000000 -0.3492607 0.0000000 4.2380084 0.0000000 -0.2010471 0.0000000 3.6952142 3 La 4.0336142 0.0000000 0.3492607 0.0000000 4.2380084 0.0000000 0.2010471 0.0000000 3.6952142 4 La 4.2607463 0.0000000 -0.2815128 0.0000000 4.2649413 0.0000000 -0.5316574 0.0000000 4.0037949 5 La 4.2607463 0.0000000 -0.2815128 0.0000000 4.2649413 0.0000000 -0.5316574 0.0000000 4.0037949 6 La 4.0336142 0.0000000 0.3492607 0.0000000 4.2380084 0.0000000 0.2010471 0.0000000 3.6952142 7 La 4.0336142 0.0000000 -0.3492607 0.0000000 4.2380084 0.0000000 -0.2010471 0.0000000 3.6952142 8 La 4.2607463 0.0000000 0.2815128 0.0000000 4.2649413 0.0000000 0.5316574 0.0000000 4.0037949 9 Hf 3.5264963 0.0000000 -0.3453721 0.0000000 4.7380626 0.0000000 -0.4926889 0.0000000 4.4948854 10 Hf 3.5264963 0.0000000 0.3453721 0.0000000 4.7380626 0.0000000 0.4926889 0.0000000 4.4948854 11 Hf 3.5264963 0.0000000 0.3453721 0.0000000 4.7380626 0.0000000 0.4926889 0.0000000 4.4948854 12 Hf 3.5264963 0.0000000 -0.3453721 0.0000000 4.7380626 0.0000000 -0.4926889 0.0000000 4.4948854 13 O -2.5821303 0.0000000 -0.1685841 0.0000000 -2.5803857 0.0000000 -0.3268741 0.0000000 -2.6577171 14 O -3.3584026 0.0000000 0.7597712 0.0000000 -2.1283650 0.0000000 0.8026513 0.0000000 -1.3937529 15 O -2.2516194 0.0000000 0.1107756 0.0000000 -2.5097044 0.0000000 0.1948085 0.0000000 -2.8149421 16 O -2.0294191 0.0000000 -0.0058365 0.0000000 -2.3413532 0.0000000 0.0563666 0.0000000 -3.3908529 17 O -1.5992856 0.0000000 0.0303306 0.0000000 -3.6812039 0.0000000 0.1267719 0.0000000 -1.9366294 18 O -1.5992856 0.0000000 -0.0303306 0.0000000 -3.6812039 0.0000000 -0.1267719 0.0000000 -1.9366294 19 O -2.0294191 0.0000000 0.0058365 0.0000000 -2.3413532 0.0000000 -0.0563666 0.0000000 -3.3908529 20 O -2.2516194 0.0000000 -0.1107756 0.0000000 -2.5097044 0.0000000 -0.1948085 0.0000000 -2.8149421 21 O -3.3584026 0.0000000 -0.7597712 0.0000000 -2.1283650 0.0000000 -0.8026513 0.0000000 -1.3937529 22 O -2.5821303 0.0000000 0.1685841 0.0000000 -2.5803857 0.0000000 0.3268741 0.0000000 -2.6577171 23 O -2.5821303 0.0000000 0.1685841 0.0000000 -2.5803857 0.0000000 0.3268741 0.0000000 -2.6577171 24 O -3.3584026 0.0000000 -0.7597712 0.0000000 -2.1283650 0.0000000 -0.8026513 0.0000000 -1.3937529 25 O -2.2516194 0.0000000 -0.1107756 0.0000000 -2.5097044 0.0000000 -0.1948085 0.0000000 -2.8149421 26 O -2.0294191 0.0000000 0.0058365 0.0000000 -2.3413532 0.0000000 -0.0563666 0.0000000 -3.3908529 27 O -1.5992856 0.0000000 -0.0303306 0.0000000 -3.6812039 0.0000000 -0.1267719 0.0000000 -1.9366294 28 O -1.5992856 0.0000000 0.0303306 0.0000000 -3.6812039 0.0000000 0.1267719 0.0000000 -1.9366294 29 O -2.0294191 0.0000000 -0.0058365 0.0000000 -2.3413532 0.0000000 0.0563666 0.0000000 -3.3908529 30 O -2.2516194 0.0000000 0.1107756 0.0000000 -2.5097044 0.0000000 0.1948085 0.0000000 -2.8149421 31 O -3.3584026 0.0000000 0.7597712 0.0000000 -2.1283650 0.0000000 0.8026513 0.0000000 -1.3937529 32 O -2.5821303 0.0000000 -0.1685841 0.0000000 -2.5803857 0.0000000 -0.3268741 0.0000000 -2.6577171 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.624 Solver_block: 200 / 480 - Time: 2.590 Solver_block: 300 / 480 - Time: 2.591 Solver_block: 400 / 480 - Time: 2.575 Solver_block: 480 / 480 - Time: 2.120 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.552 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:49:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:49:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.089333580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.909882570000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792762979999999 Atomic positions (fractional): 1 La 0.11014253122901 0.75000000000000 0.27832653548351 138.905 2 La 0.13201464203619 0.75000000000000 0.93676404349040 138.905 3 La 0.36798535796381 0.25000000000000 0.43676404349040 138.905 4 La 0.38985746877099 0.25000000000000 0.77832653548351 138.905 5 La 0.61014253122901 0.75000000000000 0.22167346451649 138.905 6 La 0.63201464203619 0.75000000000000 0.56323595650960 138.905 7 La 0.86798535796381 0.25000000000000 0.06323595650960 138.905 8 La 0.88985746877099 0.25000000000000 0.72167346451649 138.905 9 Hf 0.17925989258878 0.75000000000000 0.61763078471560 178.490 10 Hf 0.32074010741122 0.25000000000000 0.11763078471560 178.490 11 Hf 0.67925989258878 0.75000000000000 0.88236921528440 178.490 12 Hf 0.82074010741122 0.25000000000000 0.38236921528440 178.490 13 O 0.00340603113276 0.25000000000000 0.89820451526741 15.999 14 O 0.01111273229511 0.75000000000000 0.66037804211027 15.999 15 O 0.23659798829799 0.25000000000000 0.26771682348723 15.999 16 O 0.23062523269855 0.75000000000000 0.45298122473912 15.999 17 O 0.23729448489233 0.25000000000000 0.61396785701038 15.999 18 O 0.26270551510767 0.75000000000000 0.11396785701038 15.999 19 O 0.26937476730145 0.25000000000000 0.95298122473912 15.999 20 O 0.26340201170201 0.75000000000000 0.76771682348723 15.999 21 O 0.48888726770489 0.25000000000000 0.16037804211027 15.999 22 O 0.49659396886724 0.75000000000000 0.39820451526741 15.999 23 O 0.50340603113276 0.25000000000000 0.60179548473259 15.999 24 O 0.51111273229511 0.75000000000000 0.83962195788973 15.999 25 O 0.73659798829799 0.25000000000000 0.23228317651277 15.999 26 O 0.73062523269855 0.75000000000000 0.04701877526088 15.999 27 O 0.73729448489233 0.25000000000000 0.88603214298962 15.999 28 O 0.76270551510767 0.75000000000000 0.38603214298962 15.999 29 O 0.76937476730145 0.25000000000000 0.54701877526088 15.999 30 O 0.76340201170201 0.75000000000000 0.73228317651277 15.999 31 O 0.98888726770489 0.25000000000000 0.33962195788973 15.999 32 O 0.99659396886724 0.75000000000000 0.10179548473259 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.089333580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.729647710000004 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792762979999999 Atomic positions (fractional): 1 La 0.11014253122901 0.25000000000000 0.27832653548351 138.905 > 1 2 La 0.11014253122901 0.58333333333333 0.27832653548351 138.905 > 1 3 La 0.11014253122901 0.91666666666667 0.27832653548351 138.905 > 1 4 La 0.13201464203619 0.25000000000000 0.93676404349040 138.905 > 4 5 La 0.13201464203619 0.58333333333333 0.93676404349040 138.905 > 4 6 La 0.13201464203619 0.91666666666667 0.93676404349040 138.905 > 4 7 La 0.36798535796381 0.08333333333333 0.43676404349040 138.905 > 7 8 La 0.36798535796381 0.41666666666667 0.43676404349040 138.905 > 7 9 La 0.36798535796381 0.75000000000000 0.43676404349040 138.905 > 7 10 La 0.38985746877099 0.08333333333333 0.77832653548351 138.905 > 10 11 La 0.38985746877099 0.41666666666667 0.77832653548351 138.905 > 10 12 La 0.38985746877099 0.75000000000000 0.77832653548351 138.905 > 10 13 La 0.61014253122901 0.25000000000000 0.22167346451649 138.905 > 13 14 La 0.61014253122901 0.58333333333333 0.22167346451649 138.905 > 13 15 La 0.61014253122901 0.91666666666667 0.22167346451649 138.905 > 13 16 La 0.63201464203619 0.25000000000000 0.56323595650960 138.905 > 16 17 La 0.63201464203619 0.58333333333333 0.56323595650960 138.905 > 16 18 La 0.63201464203619 0.91666666666667 0.56323595650960 138.905 > 16 19 La 0.86798535796381 0.08333333333333 0.06323595650960 138.905 > 19 20 La 0.86798535796381 0.41666666666667 0.06323595650960 138.905 > 19 21 La 0.86798535796381 0.75000000000000 0.06323595650960 138.905 > 19 22 La 0.88985746877099 0.08333333333333 0.72167346451649 138.905 > 22 23 La 0.88985746877099 0.41666666666667 0.72167346451649 138.905 > 22 24 La 0.88985746877099 0.75000000000000 0.72167346451649 138.905 > 22 25 Hf 0.17925989258878 0.25000000000000 0.61763078471560 178.490 > 25 26 Hf 0.17925989258878 0.58333333333333 0.61763078471560 178.490 > 25 27 Hf 0.17925989258878 0.91666666666667 0.61763078471560 178.490 > 25 28 Hf 0.32074010741122 0.08333333333333 0.11763078471560 178.490 > 28 29 Hf 0.32074010741122 0.41666666666667 0.11763078471560 178.490 > 28 30 Hf 0.32074010741122 0.75000000000000 0.11763078471560 178.490 > 28 31 Hf 0.67925989258878 0.25000000000000 0.88236921528440 178.490 > 31 32 Hf 0.67925989258878 0.58333333333333 0.88236921528440 178.490 > 31 33 Hf 0.67925989258878 0.91666666666667 0.88236921528440 178.490 > 31 34 Hf 0.82074010741122 0.08333333333333 0.38236921528440 178.490 > 34 35 Hf 0.82074010741122 0.41666666666667 0.38236921528440 178.490 > 34 36 Hf 0.82074010741122 0.75000000000000 0.38236921528440 178.490 > 34 37 O 0.00340603113276 0.08333333333333 0.89820451526741 15.999 > 37 38 O 0.00340603113276 0.41666666666667 0.89820451526741 15.999 > 37 39 O 0.00340603113276 0.75000000000000 0.89820451526741 15.999 > 37 40 O 0.01111273229511 0.25000000000000 0.66037804211027 15.999 > 40 41 O 0.01111273229511 0.58333333333333 0.66037804211027 15.999 > 40 42 O 0.01111273229511 0.91666666666667 0.66037804211027 15.999 > 40 43 O 0.23659798829799 0.08333333333333 0.26771682348723 15.999 > 43 44 O 0.23659798829799 0.41666666666667 0.26771682348723 15.999 > 43 45 O 0.23659798829799 0.75000000000000 0.26771682348723 15.999 > 43 46 O 0.23062523269855 0.25000000000000 0.45298122473912 15.999 > 46 47 O 0.23062523269855 0.58333333333333 0.45298122473912 15.999 > 46 48 O 0.23062523269855 0.91666666666667 0.45298122473912 15.999 > 46 49 O 0.23729448489233 0.08333333333333 0.61396785701038 15.999 > 49 50 O 0.23729448489233 0.41666666666667 0.61396785701038 15.999 > 49 51 O 0.23729448489233 0.75000000000000 0.61396785701038 15.999 > 49 52 O 0.26270551510767 0.25000000000000 0.11396785701038 15.999 > 52 53 O 0.26270551510767 0.58333333333333 0.11396785701038 15.999 > 52 54 O 0.26270551510767 0.91666666666667 0.11396785701038 15.999 > 52 55 O 0.26937476730145 0.08333333333333 0.95298122473912 15.999 > 55 56 O 0.26937476730145 0.41666666666667 0.95298122473912 15.999 > 55 57 O 0.26937476730145 0.75000000000000 0.95298122473912 15.999 > 55 58 O 0.26340201170201 0.25000000000000 0.76771682348723 15.999 > 58 59 O 0.26340201170201 0.58333333333333 0.76771682348723 15.999 > 58 60 O 0.26340201170201 0.91666666666667 0.76771682348723 15.999 > 58 61 O 0.48888726770489 0.08333333333333 0.16037804211027 15.999 > 61 62 O 0.48888726770489 0.41666666666667 0.16037804211027 15.999 > 61 63 O 0.48888726770489 0.75000000000000 0.16037804211027 15.999 > 61 64 O 0.49659396886724 0.25000000000000 0.39820451526741 15.999 > 64 65 O 0.49659396886724 0.58333333333333 0.39820451526741 15.999 > 64 66 O 0.49659396886724 0.91666666666667 0.39820451526741 15.999 > 64 67 O 0.50340603113276 0.08333333333333 0.60179548473259 15.999 > 67 68 O 0.50340603113276 0.41666666666667 0.60179548473259 15.999 > 67 69 O 0.50340603113276 0.75000000000000 0.60179548473259 15.999 > 67 70 O 0.51111273229511 0.25000000000000 0.83962195788973 15.999 > 70 71 O 0.51111273229511 0.58333333333333 0.83962195788973 15.999 > 70 72 O 0.51111273229511 0.91666666666667 0.83962195788973 15.999 > 70 73 O 0.73659798829799 0.08333333333333 0.23228317651277 15.999 > 73 74 O 0.73659798829799 0.41666666666667 0.23228317651277 15.999 > 73 75 O 0.73659798829799 0.75000000000000 0.23228317651277 15.999 > 73 76 O 0.73062523269855 0.25000000000000 0.04701877526088 15.999 > 76 77 O 0.73062523269855 0.58333333333333 0.04701877526088 15.999 > 76 78 O 0.73062523269855 0.91666666666667 0.04701877526088 15.999 > 76 79 O 0.73729448489233 0.08333333333333 0.88603214298962 15.999 > 79 80 O 0.73729448489233 0.41666666666667 0.88603214298962 15.999 > 79 81 O 0.73729448489233 0.75000000000000 0.88603214298962 15.999 > 79 82 O 0.76270551510767 0.25000000000000 0.38603214298962 15.999 > 82 83 O 0.76270551510767 0.58333333333333 0.38603214298962 15.999 > 82 84 O 0.76270551510767 0.91666666666667 0.38603214298962 15.999 > 82 85 O 0.76937476730145 0.08333333333333 0.54701877526088 15.999 > 85 86 O 0.76937476730145 0.41666666666667 0.54701877526088 15.999 > 85 87 O 0.76937476730145 0.75000000000000 0.54701877526088 15.999 > 85 88 O 0.76340201170201 0.25000000000000 0.73228317651277 15.999 > 88 89 O 0.76340201170201 0.58333333333333 0.73228317651277 15.999 > 88 90 O 0.76340201170201 0.91666666666667 0.73228317651277 15.999 > 88 91 O 0.98888726770489 0.08333333333333 0.33962195788973 15.999 > 91 92 O 0.98888726770489 0.41666666666667 0.33962195788973 15.999 > 91 93 O 0.98888726770489 0.75000000000000 0.33962195788973 15.999 > 91 94 O 0.99659396886724 0.25000000000000 0.10179548473259 15.999 > 94 95 O 0.99659396886724 0.58333333333333 0.10179548473259 15.999 > 94 96 O 0.99659396886724 0.91666666666667 0.10179548473259 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2091193 0.0000000 0.0000000 0.0000000 4.3335495 0.0000000 0.0000000 0.0000000 4.2036009 -------------------------- Born effective charges -------------------------- 1 La 4.2607463 0.0000000 0.2815128 0.0000000 4.2649413 0.0000000 0.5316574 0.0000000 4.0037949 2 La 4.0336142 0.0000000 -0.3492607 0.0000000 4.2380084 0.0000000 -0.2010471 0.0000000 3.6952142 3 La 4.0336142 0.0000000 0.3492607 0.0000000 4.2380084 0.0000000 0.2010471 0.0000000 3.6952142 4 La 4.2607463 0.0000000 -0.2815128 0.0000000 4.2649413 0.0000000 -0.5316574 0.0000000 4.0037949 5 La 4.2607463 0.0000000 -0.2815128 0.0000000 4.2649413 0.0000000 -0.5316574 0.0000000 4.0037949 6 La 4.0336142 0.0000000 0.3492607 0.0000000 4.2380084 0.0000000 0.2010471 0.0000000 3.6952142 7 La 4.0336142 0.0000000 -0.3492607 0.0000000 4.2380084 0.0000000 -0.2010471 0.0000000 3.6952142 8 La 4.2607463 0.0000000 0.2815128 0.0000000 4.2649413 0.0000000 0.5316574 0.0000000 4.0037949 9 Hf 3.5264963 0.0000000 -0.3453721 0.0000000 4.7380626 0.0000000 -0.4926889 0.0000000 4.4948854 10 Hf 3.5264963 0.0000000 0.3453721 0.0000000 4.7380626 0.0000000 0.4926889 0.0000000 4.4948854 11 Hf 3.5264963 0.0000000 0.3453721 0.0000000 4.7380626 0.0000000 0.4926889 0.0000000 4.4948854 12 Hf 3.5264963 0.0000000 -0.3453721 0.0000000 4.7380626 0.0000000 -0.4926889 0.0000000 4.4948854 13 O -2.5821303 0.0000000 -0.1685841 0.0000000 -2.5803857 0.0000000 -0.3268741 0.0000000 -2.6577171 14 O -3.3584026 0.0000000 0.7597712 0.0000000 -2.1283650 0.0000000 0.8026513 0.0000000 -1.3937529 15 O -2.2516194 0.0000000 0.1107756 0.0000000 -2.5097044 0.0000000 0.1948085 0.0000000 -2.8149421 16 O -2.0294191 0.0000000 -0.0058365 0.0000000 -2.3413532 0.0000000 0.0563666 0.0000000 -3.3908529 17 O -1.5992856 0.0000000 0.0303306 0.0000000 -3.6812039 0.0000000 0.1267719 0.0000000 -1.9366294 18 O -1.5992856 0.0000000 -0.0303306 0.0000000 -3.6812039 0.0000000 -0.1267719 0.0000000 -1.9366294 19 O -2.0294191 0.0000000 0.0058365 0.0000000 -2.3413532 0.0000000 -0.0563666 0.0000000 -3.3908529 20 O -2.2516194 0.0000000 -0.1107756 0.0000000 -2.5097044 0.0000000 -0.1948085 0.0000000 -2.8149421 21 O -3.3584026 0.0000000 -0.7597712 0.0000000 -2.1283650 0.0000000 -0.8026513 0.0000000 -1.3937529 22 O -2.5821303 0.0000000 0.1685841 0.0000000 -2.5803857 0.0000000 0.3268741 0.0000000 -2.6577171 23 O -2.5821303 0.0000000 0.1685841 0.0000000 -2.5803857 0.0000000 0.3268741 0.0000000 -2.6577171 24 O -3.3584026 0.0000000 -0.7597712 0.0000000 -2.1283650 0.0000000 -0.8026513 0.0000000 -1.3937529 25 O -2.2516194 0.0000000 -0.1107756 0.0000000 -2.5097044 0.0000000 -0.1948085 0.0000000 -2.8149421 26 O -2.0294191 0.0000000 0.0058365 0.0000000 -2.3413532 0.0000000 -0.0563666 0.0000000 -3.3908529 27 O -1.5992856 0.0000000 -0.0303306 0.0000000 -3.6812039 0.0000000 -0.1267719 0.0000000 -1.9366294 28 O -1.5992856 0.0000000 0.0303306 0.0000000 -3.6812039 0.0000000 0.1267719 0.0000000 -1.9366294 29 O -2.0294191 0.0000000 -0.0058365 0.0000000 -2.3413532 0.0000000 0.0563666 0.0000000 -3.3908529 30 O -2.2516194 0.0000000 0.1107756 0.0000000 -2.5097044 0.0000000 0.1948085 0.0000000 -2.8149421 31 O -3.3584026 0.0000000 0.7597712 0.0000000 -2.1283650 0.0000000 0.8026513 0.0000000 -1.3937529 32 O -2.5821303 0.0000000 -0.1685841 0.0000000 -2.5803857 0.0000000 -0.3268741 0.0000000 -2.6577171 ---------------------------------------------------------------------------- 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[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:49:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:49:27]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.089333580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.909882570000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792762979999999 Atomic positions (fractional): 1 La 0.11014253122901 0.75000000000000 0.27832653548351 138.905 2 La 0.13201464203619 0.75000000000000 0.93676404349040 138.905 3 La 0.36798535796381 0.25000000000000 0.43676404349040 138.905 4 La 0.38985746877099 0.25000000000000 0.77832653548351 138.905 5 La 0.61014253122901 0.75000000000000 0.22167346451649 138.905 6 La 0.63201464203619 0.75000000000000 0.56323595650960 138.905 7 La 0.86798535796381 0.25000000000000 0.06323595650960 138.905 8 La 0.88985746877099 0.25000000000000 0.72167346451649 138.905 9 Hf 0.17925989258878 0.75000000000000 0.61763078471560 178.490 10 Hf 0.32074010741122 0.25000000000000 0.11763078471560 178.490 11 Hf 0.67925989258878 0.75000000000000 0.88236921528440 178.490 12 Hf 0.82074010741122 0.25000000000000 0.38236921528440 178.490 13 O 0.00340603113276 0.25000000000000 0.89820451526741 15.999 14 O 0.01111273229511 0.75000000000000 0.66037804211027 15.999 15 O 0.23659798829799 0.25000000000000 0.26771682348723 15.999 16 O 0.23062523269855 0.75000000000000 0.45298122473912 15.999 17 O 0.23729448489233 0.25000000000000 0.61396785701038 15.999 18 O 0.26270551510767 0.75000000000000 0.11396785701038 15.999 19 O 0.26937476730145 0.25000000000000 0.95298122473912 15.999 20 O 0.26340201170201 0.75000000000000 0.76771682348723 15.999 21 O 0.48888726770489 0.25000000000000 0.16037804211027 15.999 22 O 0.49659396886724 0.75000000000000 0.39820451526741 15.999 23 O 0.50340603113276 0.25000000000000 0.60179548473259 15.999 24 O 0.51111273229511 0.75000000000000 0.83962195788973 15.999 25 O 0.73659798829799 0.25000000000000 0.23228317651277 15.999 26 O 0.73062523269855 0.75000000000000 0.04701877526088 15.999 27 O 0.73729448489233 0.25000000000000 0.88603214298962 15.999 28 O 0.76270551510767 0.75000000000000 0.38603214298962 15.999 29 O 0.76937476730145 0.25000000000000 0.54701877526088 15.999 30 O 0.76340201170201 0.75000000000000 0.73228317651277 15.999 31 O 0.98888726770489 0.25000000000000 0.33962195788973 15.999 32 O 0.99659396886724 0.75000000000000 0.10179548473259 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.089333580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.729647710000004 0.000000000000000 c 0.000000000000000 0.000000000000000 11.792762979999999 Atomic positions (fractional): 1 La 0.11014253122901 0.25000000000000 0.27832653548351 138.905 > 1 2 La 0.11014253122901 0.58333333333333 0.27832653548351 138.905 > 1 3 La 0.11014253122901 0.91666666666667 0.27832653548351 138.905 > 1 4 La 0.13201464203619 0.25000000000000 0.93676404349040 138.905 > 4 5 La 0.13201464203619 0.58333333333333 0.93676404349040 138.905 > 4 6 La 0.13201464203619 0.91666666666667 0.93676404349040 138.905 > 4 7 La 0.36798535796381 0.08333333333333 0.43676404349040 138.905 > 7 8 La 0.36798535796381 0.41666666666667 0.43676404349040 138.905 > 7 9 La 0.36798535796381 0.75000000000000 0.43676404349040 138.905 > 7 10 La 0.38985746877099 0.08333333333333 0.77832653548351 138.905 > 10 11 La 0.38985746877099 0.41666666666667 0.77832653548351 138.905 > 10 12 La 0.38985746877099 0.75000000000000 0.77832653548351 138.905 > 10 13 La 0.61014253122901 0.25000000000000 0.22167346451649 138.905 > 13 14 La 0.61014253122901 0.58333333333333 0.22167346451649 138.905 > 13 15 La 0.61014253122901 0.91666666666667 0.22167346451649 138.905 > 13 16 La 0.63201464203619 0.25000000000000 0.56323595650960 138.905 > 16 17 La 0.63201464203619 0.58333333333333 0.56323595650960 138.905 > 16 18 La 0.63201464203619 0.91666666666667 0.56323595650960 138.905 > 16 19 La 0.86798535796381 0.08333333333333 0.06323595650960 138.905 > 19 20 La 0.86798535796381 0.41666666666667 0.06323595650960 138.905 > 19 21 La 0.86798535796381 0.75000000000000 0.06323595650960 138.905 > 19 22 La 0.88985746877099 0.08333333333333 0.72167346451649 138.905 > 22 23 La 0.88985746877099 0.41666666666667 0.72167346451649 138.905 > 22 24 La 0.88985746877099 0.75000000000000 0.72167346451649 138.905 > 22 25 Hf 0.17925989258878 0.25000000000000 0.61763078471560 178.490 > 25 26 Hf 0.17925989258878 0.58333333333333 0.61763078471560 178.490 > 25 27 Hf 0.17925989258878 0.91666666666667 0.61763078471560 178.490 > 25 28 Hf 0.32074010741122 0.08333333333333 0.11763078471560 178.490 > 28 29 Hf 0.32074010741122 0.41666666666667 0.11763078471560 178.490 > 28 30 Hf 0.32074010741122 0.75000000000000 0.11763078471560 178.490 > 28 31 Hf 0.67925989258878 0.25000000000000 0.88236921528440 178.490 > 31 32 Hf 0.67925989258878 0.58333333333333 0.88236921528440 178.490 > 31 33 Hf 0.67925989258878 0.91666666666667 0.88236921528440 178.490 > 31 34 Hf 0.82074010741122 0.08333333333333 0.38236921528440 178.490 > 34 35 Hf 0.82074010741122 0.41666666666667 0.38236921528440 178.490 > 34 36 Hf 0.82074010741122 0.75000000000000 0.38236921528440 178.490 > 34 37 O 0.00340603113276 0.08333333333333 0.89820451526741 15.999 > 37 38 O 0.00340603113276 0.41666666666667 0.89820451526741 15.999 > 37 39 O 0.00340603113276 0.75000000000000 0.89820451526741 15.999 > 37 40 O 0.01111273229511 0.25000000000000 0.66037804211027 15.999 > 40 41 O 0.01111273229511 0.58333333333333 0.66037804211027 15.999 > 40 42 O 0.01111273229511 0.91666666666667 0.66037804211027 15.999 > 40 43 O 0.23659798829799 0.08333333333333 0.26771682348723 15.999 > 43 44 O 0.23659798829799 0.41666666666667 0.26771682348723 15.999 > 43 45 O 0.23659798829799 0.75000000000000 0.26771682348723 15.999 > 43 46 O 0.23062523269855 0.25000000000000 0.45298122473912 15.999 > 46 47 O 0.23062523269855 0.58333333333333 0.45298122473912 15.999 > 46 48 O 0.23062523269855 0.91666666666667 0.45298122473912 15.999 > 46 49 O 0.23729448489233 0.08333333333333 0.61396785701038 15.999 > 49 50 O 0.23729448489233 0.41666666666667 0.61396785701038 15.999 > 49 51 O 0.23729448489233 0.75000000000000 0.61396785701038 15.999 > 49 52 O 0.26270551510767 0.25000000000000 0.11396785701038 15.999 > 52 53 O 0.26270551510767 0.58333333333333 0.11396785701038 15.999 > 52 54 O 0.26270551510767 0.91666666666667 0.11396785701038 15.999 > 52 55 O 0.26937476730145 0.08333333333333 0.95298122473912 15.999 > 55 56 O 0.26937476730145 0.41666666666667 0.95298122473912 15.999 > 55 57 O 0.26937476730145 0.75000000000000 0.95298122473912 15.999 > 55 58 O 0.26340201170201 0.25000000000000 0.76771682348723 15.999 > 58 59 O 0.26340201170201 0.58333333333333 0.76771682348723 15.999 > 58 60 O 0.26340201170201 0.91666666666667 0.76771682348723 15.999 > 58 61 O 0.48888726770489 0.08333333333333 0.16037804211027 15.999 > 61 62 O 0.48888726770489 0.41666666666667 0.16037804211027 15.999 > 61 63 O 0.48888726770489 0.75000000000000 0.16037804211027 15.999 > 61 64 O 0.49659396886724 0.25000000000000 0.39820451526741 15.999 > 64 65 O 0.49659396886724 0.58333333333333 0.39820451526741 15.999 > 64 66 O 0.49659396886724 0.91666666666667 0.39820451526741 15.999 > 64 67 O 0.50340603113276 0.08333333333333 0.60179548473259 15.999 > 67 68 O 0.50340603113276 0.41666666666667 0.60179548473259 15.999 > 67 69 O 0.50340603113276 0.75000000000000 0.60179548473259 15.999 > 67 70 O 0.51111273229511 0.25000000000000 0.83962195788973 15.999 > 70 71 O 0.51111273229511 0.58333333333333 0.83962195788973 15.999 > 70 72 O 0.51111273229511 0.91666666666667 0.83962195788973 15.999 > 70 73 O 0.73659798829799 0.08333333333333 0.23228317651277 15.999 > 73 74 O 0.73659798829799 0.41666666666667 0.23228317651277 15.999 > 73 75 O 0.73659798829799 0.75000000000000 0.23228317651277 15.999 > 73 76 O 0.73062523269855 0.25000000000000 0.04701877526088 15.999 > 76 77 O 0.73062523269855 0.58333333333333 0.04701877526088 15.999 > 76 78 O 0.73062523269855 0.91666666666667 0.04701877526088 15.999 > 76 79 O 0.73729448489233 0.08333333333333 0.88603214298962 15.999 > 79 80 O 0.73729448489233 0.41666666666667 0.88603214298962 15.999 > 79 81 O 0.73729448489233 0.75000000000000 0.88603214298962 15.999 > 79 82 O 0.76270551510767 0.25000000000000 0.38603214298962 15.999 > 82 83 O 0.76270551510767 0.58333333333333 0.38603214298962 15.999 > 82 84 O 0.76270551510767 0.91666666666667 0.38603214298962 15.999 > 82 85 O 0.76937476730145 0.08333333333333 0.54701877526088 15.999 > 85 86 O 0.76937476730145 0.41666666666667 0.54701877526088 15.999 > 85 87 O 0.76937476730145 0.75000000000000 0.54701877526088 15.999 > 85 88 O 0.76340201170201 0.25000000000000 0.73228317651277 15.999 > 88 89 O 0.76340201170201 0.58333333333333 0.73228317651277 15.999 > 88 90 O 0.76340201170201 0.91666666666667 0.73228317651277 15.999 > 88 91 O 0.98888726770489 0.08333333333333 0.33962195788973 15.999 > 91 92 O 0.98888726770489 0.41666666666667 0.33962195788973 15.999 > 91 93 O 0.98888726770489 0.75000000000000 0.33962195788973 15.999 > 91 94 O 0.99659396886724 0.25000000000000 0.10179548473259 15.999 > 94 95 O 0.99659396886724 0.58333333333333 0.10179548473259 15.999 > 94 96 O 0.99659396886724 0.91666666666667 0.10179548473259 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2091193 0.0000000 0.0000000 0.0000000 4.3335495 0.0000000 0.0000000 0.0000000 4.2036009 -------------------------- Born effective charges -------------------------- 1 La 4.2607463 0.0000000 0.2815128 0.0000000 4.2649413 0.0000000 0.5316574 0.0000000 4.0037949 2 La 4.0336142 0.0000000 -0.3492607 0.0000000 4.2380084 0.0000000 -0.2010471 0.0000000 3.6952142 3 La 4.0336142 0.0000000 0.3492607 0.0000000 4.2380084 0.0000000 0.2010471 0.0000000 3.6952142 4 La 4.2607463 0.0000000 -0.2815128 0.0000000 4.2649413 0.0000000 -0.5316574 0.0000000 4.0037949 5 La 4.2607463 0.0000000 -0.2815128 0.0000000 4.2649413 0.0000000 -0.5316574 0.0000000 4.0037949 6 La 4.0336142 0.0000000 0.3492607 0.0000000 4.2380084 0.0000000 0.2010471 0.0000000 3.6952142 7 La 4.0336142 0.0000000 -0.3492607 0.0000000 4.2380084 0.0000000 -0.2010471 0.0000000 3.6952142 8 La 4.2607463 0.0000000 0.2815128 0.0000000 4.2649413 0.0000000 0.5316574 0.0000000 4.0037949 9 Hf 3.5264963 0.0000000 -0.3453721 0.0000000 4.7380626 0.0000000 -0.4926889 0.0000000 4.4948854 10 Hf 3.5264963 0.0000000 0.3453721 0.0000000 4.7380626 0.0000000 0.4926889 0.0000000 4.4948854 11 Hf 3.5264963 0.0000000 0.3453721 0.0000000 4.7380626 0.0000000 0.4926889 0.0000000 4.4948854 12 Hf 3.5264963 0.0000000 -0.3453721 0.0000000 4.7380626 0.0000000 -0.4926889 0.0000000 4.4948854 13 O -2.5821303 0.0000000 -0.1685841 0.0000000 -2.5803857 0.0000000 -0.3268741 0.0000000 -2.6577171 14 O -3.3584026 0.0000000 0.7597712 0.0000000 -2.1283650 0.0000000 0.8026513 0.0000000 -1.3937529 15 O -2.2516194 0.0000000 0.1107756 0.0000000 -2.5097044 0.0000000 0.1948085 0.0000000 -2.8149421 16 O -2.0294191 0.0000000 -0.0058365 0.0000000 -2.3413532 0.0000000 0.0563666 0.0000000 -3.3908529 17 O -1.5992856 0.0000000 0.0303306 0.0000000 -3.6812039 0.0000000 0.1267719 0.0000000 -1.9366294 18 O -1.5992856 0.0000000 -0.0303306 0.0000000 -3.6812039 0.0000000 -0.1267719 0.0000000 -1.9366294 19 O -2.0294191 0.0000000 0.0058365 0.0000000 -2.3413532 0.0000000 -0.0563666 0.0000000 -3.3908529 20 O -2.2516194 0.0000000 -0.1107756 0.0000000 -2.5097044 0.0000000 -0.1948085 0.0000000 -2.8149421 21 O -3.3584026 0.0000000 -0.7597712 0.0000000 -2.1283650 0.0000000 -0.8026513 0.0000000 -1.3937529 22 O -2.5821303 0.0000000 0.1685841 0.0000000 -2.5803857 0.0000000 0.3268741 0.0000000 -2.6577171 23 O -2.5821303 0.0000000 0.1685841 0.0000000 -2.5803857 0.0000000 0.3268741 0.0000000 -2.6577171 24 O -3.3584026 0.0000000 -0.7597712 0.0000000 -2.1283650 0.0000000 -0.8026513 0.0000000 -1.3937529 25 O -2.2516194 0.0000000 -0.1107756 0.0000000 -2.5097044 0.0000000 -0.1948085 0.0000000 -2.8149421 26 O -2.0294191 0.0000000 0.0058365 0.0000000 -2.3413532 0.0000000 -0.0563666 0.0000000 -3.3908529 27 O -1.5992856 0.0000000 -0.0303306 0.0000000 -3.6812039 0.0000000 -0.1267719 0.0000000 -1.9366294 28 O -1.5992856 0.0000000 0.0303306 0.0000000 -3.6812039 0.0000000 0.1267719 0.0000000 -1.9366294 29 O -2.0294191 0.0000000 -0.0058365 0.0000000 -2.3413532 0.0000000 0.0563666 0.0000000 -3.3908529 30 O -2.2516194 0.0000000 0.1107756 0.0000000 -2.5097044 0.0000000 0.1948085 0.0000000 -2.8149421 31 O -3.3584026 0.0000000 0.7597712 0.0000000 -2.1283650 0.0000000 0.8026513 0.0000000 -1.3937529 32 O -2.5821303 0.0000000 -0.1685841 0.0000000 -2.5803857 0.0000000 -0.3268741 0.0000000 -2.6577171 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 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: 0.52, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 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 1.506 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.157 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 8.213 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.413 ( 0.000 0.000 0.000) 0.000 8.593 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 9.625 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.834 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.530 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.245 ( 0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 11.827 ( 0.000 0.000 0.000) 0.000 11.866 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.407 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 13.813 ( 0.000 0.000 0.000) 0.000 13.897 ( 0.000 0.000 0.000) 0.000 14.324 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 17.045 ( 0.000 0.000 0.000) 0.000 17.403 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.584 ( 0.000 0.000 0.000) 0.000 17.633 ( 0.000 0.000 0.000) 0.000 17.635 ( 0.000 0.000 0.000) 0.000 17.742 ( 0.000 0.000 0.000) 0.000 18.948 ( 0.000 0.000 0.000) 0.000 19.535 ( 0.000 0.000 0.000) 0.000 19.663 ( 0.000 0.000 0.000) 0.000 21.519 ( 0.000 0.000 0.000) 0.000 21.698 ( 0.000 0.000 0.000) 0.000 21.781 ( 0.000 0.000 0.000) 0.000 22.053 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 25.549 0.000 0.000) 25.549 0.536 ( 29.414 0.000 0.000) 29.414 0.842 ( 45.261 0.000 0.000) 45.261 1.559 ( 3.148 0.000 0.000) 3.148 1.685 ( -1.698 0.000 0.000) 1.698 1.819 ( -7.957 0.000 0.000) 7.957 1.931 ( -18.402 0.000 0.000) 18.402 2.071 ( 4.146 0.000 0.000) 4.146 2.283 ( 1.412 0.000 0.000) 1.412 2.475 ( -2.915 0.000 0.000) 2.915 2.509 ( -15.281 0.000 0.000) 15.281 2.770 ( -7.415 0.000 0.000) 7.415 2.846 ( -8.592 0.000 0.000) 8.592 2.889 ( -7.567 0.000 0.000) 7.567 2.993 ( 9.559 0.000 0.000) 9.559 3.040 ( 4.416 0.000 0.000) 4.416 3.181 ( 7.529 0.000 0.000) 7.529 3.237 ( 8.828 0.000 0.000) 8.828 3.302 ( 8.330 0.000 0.000) 8.330 3.361 ( -14.789 0.000 0.000) 14.789 3.570 ( 1.032 0.000 0.000) 1.032 3.624 ( 11.034 0.000 0.000) 11.034 3.666 ( -3.691 0.000 0.000) 3.691 3.805 ( 1.652 0.000 0.000) 1.652 3.889 ( -3.934 0.000 0.000) 3.934 3.980 ( -12.809 0.000 0.000) 12.809 4.064 ( 12.709 0.000 0.000) 12.709 4.381 ( -5.274 0.000 0.000) 5.274 4.642 ( -13.119 0.000 0.000) 13.119 4.732 ( -10.184 0.000 0.000) 10.184 4.987 ( 5.001 0.000 0.000) 5.001 5.051 ( 0.030 0.000 0.000) 0.030 5.264 ( 8.294 0.000 0.000) 8.294 5.346 ( 15.888 0.000 0.000) 15.888 5.418 ( -0.357 0.000 0.000) 0.357 5.648 ( 5.206 0.000 0.000) 5.206 6.005 ( -4.577 0.000 0.000) 4.577 6.066 ( -6.061 0.000 0.000) 6.061 6.313 ( 6.899 0.000 0.000) 6.899 6.349 ( 2.951 0.000 0.000) 2.951 7.051 ( 0.253 0.000 0.000) 0.253 7.069 ( -0.205 0.000 0.000) 0.205 7.219 ( 1.935 0.000 0.000) 1.935 7.495 ( -6.241 0.000 0.000) 6.241 7.890 ( 1.123 0.000 0.000) 1.123 7.946 ( 0.161 0.000 0.000) 0.161 8.009 ( 14.209 0.000 0.000) 14.209 8.228 ( 1.895 0.000 0.000) 1.895 8.276 ( 1.533 0.000 0.000) 1.533 8.398 ( -1.619 0.000 0.000) 1.619 8.435 ( -0.142 0.000 0.000) 0.142 8.532 ( -6.037 0.000 0.000) 6.037 8.674 ( -2.342 0.000 0.000) 2.342 9.037 ( -7.492 0.000 0.000) 7.492 9.254 ( 5.075 0.000 0.000) 5.075 9.465 ( -11.609 0.000 0.000) 11.609 9.527 ( -11.142 0.000 0.000) 11.142 9.528 ( -2.738 0.000 0.000) 2.738 9.835 ( 5.144 0.000 0.000) 5.144 9.864 ( 1.453 0.000 0.000) 1.453 9.871 ( 3.719 0.000 0.000) 3.719 9.904 ( 1.481 0.000 0.000) 1.481 10.002 ( -1.084 0.000 0.000) 1.084 10.161 ( 6.614 0.000 0.000) 6.614 10.477 ( 2.888 0.000 0.000) 2.888 10.554 ( 1.929 0.000 0.000) 1.929 10.814 ( -0.403 0.000 0.000) 0.403 11.154 ( 1.095 0.000 0.000) 1.095 11.236 ( -0.991 0.000 0.000) 0.991 11.380 ( -11.465 0.000 0.000) 11.465 11.831 ( 0.389 0.000 0.000) 0.389 11.862 ( -0.394 0.000 0.000) 0.394 11.923 ( 8.066 0.000 0.000) 8.066 12.240 ( -1.576 0.000 0.000) 1.576 12.809 ( 1.682 0.000 0.000) 1.682 13.049 ( -6.008 0.000 0.000) 6.008 13.607 ( 6.505 0.000 0.000) 6.505 13.786 ( -1.510 0.000 0.000) 1.510 13.978 ( 7.078 0.000 0.000) 7.078 14.403 ( -5.365 0.000 0.000) 5.365 15.568 ( 0.121 0.000 0.000) 0.121 15.568 ( 0.140 0.000 0.000) 0.140 17.413 ( 1.262 0.000 0.000) 1.262 17.581 ( 0.029 0.000 0.000) 0.029 17.584 ( -0.031 0.000 0.000) 0.031 17.633 ( 0.023 0.000 0.000) 0.023 17.635 ( -0.021 0.000 0.000) 0.021 17.664 ( -7.128 0.000 0.000) 7.128 18.697 ( 12.067 0.000 0.000) 12.067 19.206 ( 1.031 0.000 0.000) 1.031 19.437 ( -9.932 0.000 0.000) 9.932 19.591 ( -7.635 0.000 0.000) 7.635 21.561 ( 4.249 0.000 0.000) 4.249 21.760 ( -1.843 0.000 0.000) 1.843 22.137 ( 8.068 0.000 0.000) 8.068 22.536 ( -3.396 0.000 0.000) 3.396 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 23.924 0.000 0.000) 23.924 1.055 ( 27.935 0.000 0.000) 27.935 1.277 ( -11.445 0.000 0.000) 11.445 1.534 ( -24.843 0.000 0.000) 24.843 1.681 ( 8.662 0.000 0.000) 8.662 1.683 ( 1.552 0.000 0.000) 1.552 1.875 ( 28.550 0.000 0.000) 28.550 2.169 ( 6.231 0.000 0.000) 6.231 2.266 ( -3.532 0.000 0.000) 3.532 2.334 ( -2.466 0.000 0.000) 2.466 2.355 ( -8.924 0.000 0.000) 8.924 2.559 ( -25.458 0.000 0.000) 25.458 2.741 ( -2.035 0.000 0.000) 2.035 2.773 ( -4.783 0.000 0.000) 4.783 2.969 ( -3.690 0.000 0.000) 3.690 2.986 ( -11.141 0.000 0.000) 11.141 3.300 ( 17.869 0.000 0.000) 17.869 3.302 ( 5.678 0.000 0.000) 5.678 3.369 ( -0.758 0.000 0.000) 0.758 3.415 ( 9.361 0.000 0.000) 9.361 3.568 ( -7.114 0.000 0.000) 7.114 3.621 ( -16.863 0.000 0.000) 16.863 3.646 ( 7.354 0.000 0.000) 7.354 3.787 ( -7.199 0.000 0.000) 7.199 3.912 ( 18.020 0.000 0.000) 18.020 4.101 ( 15.718 0.000 0.000) 15.718 4.209 ( -13.728 0.000 0.000) 13.728 4.302 ( 12.528 0.000 0.000) 12.528 4.386 ( -14.802 0.000 0.000) 14.802 4.524 ( -11.868 0.000 0.000) 11.868 5.038 ( 1.107 0.000 0.000) 1.107 5.047 ( -0.283 0.000 0.000) 0.283 5.374 ( 3.731 0.000 0.000) 3.731 5.410 ( -0.765 0.000 0.000) 0.765 5.636 ( 15.119 0.000 0.000) 15.119 5.778 ( 8.270 0.000 0.000) 8.270 5.875 ( -10.626 0.000 0.000) 10.626 5.926 ( -8.222 0.000 0.000) 8.222 6.421 ( 3.746 0.000 0.000) 3.746 6.427 ( 3.861 0.000 0.000) 3.861 7.057 ( 0.388 0.000 0.000) 0.388 7.064 ( -0.358 0.000 0.000) 0.358 7.273 ( 4.278 0.000 0.000) 4.278 7.376 ( -6.700 0.000 0.000) 6.700 7.916 ( 1.589 0.000 0.000) 1.589 7.940 ( -0.914 0.000 0.000) 0.914 8.268 ( 12.295 0.000 0.000) 12.295 8.290 ( 4.977 0.000 0.000) 4.977 8.314 ( 2.564 0.000 0.000) 2.564 8.359 ( -2.580 0.000 0.000) 2.580 8.406 ( -7.167 0.000 0.000) 7.167 8.407 ( -3.684 0.000 0.000) 3.684 8.682 ( 5.123 0.000 0.000) 5.123 8.859 ( -11.865 0.000 0.000) 11.865 9.305 ( -3.644 0.000 0.000) 3.644 9.350 ( -7.374 0.000 0.000) 7.374 9.359 ( 6.032 0.000 0.000) 6.032 9.459 ( -4.852 0.000 0.000) 4.852 9.891 ( 1.258 0.000 0.000) 1.258 9.891 ( 1.024 0.000 0.000) 1.024 9.938 ( 2.104 0.000 0.000) 2.104 9.975 ( -1.880 0.000 0.000) 1.880 9.989 ( 8.720 0.000 0.000) 8.720 10.146 ( -7.053 0.000 0.000) 7.053 10.544 ( 3.131 0.000 0.000) 3.131 10.574 ( -0.152 0.000 0.000) 0.152 10.907 ( 10.898 0.000 0.000) 10.898 11.145 ( -13.972 0.000 0.000) 13.972 11.180 ( 1.716 0.000 0.000) 1.716 11.212 ( -1.651 0.000 0.000) 1.651 11.841 ( 0.633 0.000 0.000) 0.633 11.852 ( -0.635 0.000 0.000) 0.635 12.068 ( 7.497 0.000 0.000) 7.497 12.182 ( -4.899 0.000 0.000) 4.899 12.858 ( 3.732 0.000 0.000) 3.732 12.941 ( -5.488 0.000 0.000) 5.488 13.713 ( 4.461 0.000 0.000) 4.461 13.763 ( -1.491 0.000 0.000) 1.491 14.123 ( 8.598 0.000 0.000) 8.598 14.277 ( -8.167 0.000 0.000) 8.167 15.569 ( 0.117 0.000 0.000) 0.117 15.571 ( -0.003 0.000 0.000) 0.003 17.452 ( 3.244 0.000 0.000) 3.244 17.537 ( -6.167 0.000 0.000) 6.167 17.582 ( 0.047 0.000 0.000) 0.047 17.583 ( -0.049 0.000 0.000) 0.049 17.633 ( 0.036 0.000 0.000) 0.036 17.634 ( -0.035 0.000 0.000) 0.035 18.952 ( 15.060 0.000 0.000) 15.060 19.215 ( -13.833 0.000 0.000) 13.833 19.263 ( 5.913 0.000 0.000) 5.913 19.418 ( -10.344 0.000 0.000) 10.344 21.648 ( 4.720 0.000 0.000) 4.720 21.718 ( -2.963 0.000 0.000) 2.963 22.300 ( 9.074 0.000 0.000) 9.074 22.445 ( -6.711 0.000 0.000) 6.711 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 0.000 30.177 0.000) 30.177 0.624 ( 0.000 31.332 0.000) 31.332 1.068 ( 0.000 51.217 0.000) 51.217 1.633 ( 0.000 13.835 0.000) 13.835 1.716 ( 0.000 1.943 0.000) 1.943 1.989 ( 0.000 6.829 0.000) 6.829 2.097 ( 0.000 4.563 0.000) 4.563 2.312 ( 0.000 14.853 0.000) 14.853 2.363 ( 0.000 11.296 0.000) 11.296 2.515 ( 0.000 3.613 0.000) 3.613 2.742 ( 0.000 -6.388 0.000) 6.388 2.758 ( 0.000 7.217 0.000) 7.217 2.802 ( 0.000 -2.826 0.000) 2.826 2.896 ( 0.000 1.912 0.000) 1.912 3.030 ( 0.000 0.120 0.000) 0.120 3.058 ( 0.000 2.898 0.000) 2.898 3.102 ( 0.000 3.731 0.000) 3.731 3.289 ( 0.000 18.830 0.000) 18.830 3.429 ( 0.000 19.044 0.000) 19.044 3.629 ( 0.000 6.994 0.000) 6.994 3.638 ( 0.000 19.848 0.000) 19.848 3.724 ( 0.000 19.259 0.000) 19.259 3.730 ( 0.000 2.428 0.000) 2.428 3.844 ( 0.000 0.874 0.000) 0.874 3.991 ( 0.000 7.710 0.000) 7.710 4.060 ( 0.000 13.063 0.000) 13.063 4.266 ( 0.000 6.361 0.000) 6.361 4.459 ( 0.000 4.460 0.000) 4.460 4.861 ( 0.000 4.959 0.000) 4.959 4.864 ( 0.000 3.073 0.000) 3.073 4.872 ( 0.000 0.677 0.000) 0.677 5.086 ( 0.000 -2.403 0.000) 2.403 5.088 ( 0.000 0.129 0.000) 0.129 5.097 ( 0.000 -3.229 0.000) 3.229 5.167 ( 0.000 -1.623 0.000) 1.623 5.616 ( 0.000 1.501 0.000) 1.501 6.005 ( 0.000 -4.304 0.000) 4.304 6.121 ( 0.000 -0.189 0.000) 0.189 6.220 ( 0.000 -9.468 0.000) 9.468 6.261 ( 0.000 2.009 0.000) 2.009 7.114 ( 0.000 -7.470 0.000) 7.470 7.156 ( 0.000 7.063 0.000) 7.063 7.503 ( 0.000 -6.284 0.000) 6.284 7.611 ( 0.000 3.720 0.000) 3.720 7.744 ( 0.000 -5.120 0.000) 5.120 7.841 ( 0.000 3.853 0.000) 3.853 7.893 ( 0.000 0.449 0.000) 0.449 8.075 ( 0.000 0.217 0.000) 0.217 8.288 ( 0.000 13.982 0.000) 13.982 8.297 ( 0.000 3.300 0.000) 3.300 8.598 ( 0.000 -0.162 0.000) 0.162 8.614 ( 0.000 2.945 0.000) 2.945 8.748 ( 0.000 3.513 0.000) 3.513 8.811 ( 0.000 0.784 0.000) 0.784 9.375 ( 0.000 -11.707 0.000) 11.707 9.552 ( 0.000 -6.698 0.000) 6.698 9.558 ( 0.000 -10.407 0.000) 10.407 9.572 ( 0.000 -3.818 0.000) 3.818 9.746 ( 0.000 -4.526 0.000) 4.526 9.816 ( 0.000 -7.291 0.000) 7.291 9.840 ( 0.000 -14.740 0.000) 14.740 9.848 ( 0.000 1.171 0.000) 1.171 10.236 ( 0.000 -7.767 0.000) 7.767 10.278 ( 0.000 9.955 0.000) 9.955 10.279 ( 0.000 5.861 0.000) 5.861 10.299 ( 0.000 -21.070 0.000) 21.070 10.670 ( 0.000 -4.745 0.000) 4.745 10.807 ( 0.000 -23.474 0.000) 23.474 11.431 ( 0.000 9.807 0.000) 9.807 11.559 ( 0.000 0.188 0.000) 0.188 11.818 ( 0.000 0.231 0.000) 0.231 11.972 ( 0.000 7.583 0.000) 7.583 12.255 ( 0.000 2.330 0.000) 2.330 12.774 ( 0.000 28.866 0.000) 28.866 12.919 ( 0.000 12.182 0.000) 12.182 13.572 ( 0.000 4.067 0.000) 4.067 13.850 ( 0.000 3.766 0.000) 3.766 13.886 ( 0.000 -1.035 0.000) 1.035 14.276 ( 0.000 -4.715 0.000) 4.715 14.387 ( 0.000 -1.116 0.000) 1.116 15.595 ( 0.000 2.759 0.000) 2.759 15.602 ( 0.000 3.698 0.000) 3.698 16.910 ( 0.000 -12.037 0.000) 12.037 17.154 ( 0.000 -19.686 0.000) 19.686 17.489 ( 0.000 -8.768 0.000) 8.768 17.601 ( 0.000 -2.903 0.000) 2.903 17.647 ( 0.000 -2.238 0.000) 2.238 17.680 ( 0.000 -6.196 0.000) 6.196 19.103 ( 0.000 12.910 0.000) 12.910 19.669 ( 0.000 11.035 0.000) 11.035 19.714 ( 0.000 -9.561 0.000) 9.561 19.769 ( 0.000 9.329 0.000) 9.329 21.644 ( 0.000 11.941 0.000) 11.941 21.716 ( 0.000 2.599 0.000) 2.599 21.789 ( 0.000 1.555 0.000) 1.555 22.014 ( 0.000 -3.112 0.000) 3.112 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 18.550 20.720 0.000) 27.810 0.773 ( 14.834 24.869 0.000) 28.957 1.328 ( 22.141 35.414 0.000) 41.766 1.683 ( 6.763 15.792 0.000) 17.179 1.701 ( -1.297 2.945 0.000) 3.218 1.874 ( -9.790 6.696 0.000) 11.861 2.091 ( -18.723 13.157 0.000) 22.884 2.133 ( 3.914 4.388 0.000) 5.880 2.402 ( 0.964 10.799 0.000) 10.842 2.519 ( -1.461 4.450 0.000) 4.684 2.541 ( -11.362 5.157 0.000) 12.478 2.624 ( -8.732 -5.993 0.000) 10.591 2.860 ( -3.967 4.152 0.000) 5.742 3.025 ( 11.987 1.233 0.000) 12.050 3.064 ( -4.473 13.472 0.000) 14.195 3.107 ( 2.935 -3.160 0.000) 4.313 3.161 ( 10.335 2.066 0.000) 10.540 3.260 ( -4.030 14.270 0.000) 14.829 3.440 ( 2.370 12.354 0.000) 12.579 3.611 ( 0.028 9.568 0.000) 9.568 3.668 ( -6.231 13.549 0.000) 14.913 3.726 ( 3.305 8.407 0.000) 9.033 3.784 ( 3.440 14.337 0.000) 14.744 3.860 ( 1.430 6.815 0.000) 6.964 4.024 ( -3.186 12.632 0.000) 13.028 4.052 ( -8.446 8.376 0.000) 11.896 4.109 ( 10.782 5.213 0.000) 11.976 4.434 ( -4.362 5.324 0.000) 6.883 4.684 ( -11.147 4.733 0.000) 12.110 4.759 ( -11.323 2.921 0.000) 11.693 4.991 ( 4.626 0.753 0.000) 4.687 5.046 ( 0.604 -0.482 0.000) 0.773 5.212 ( 8.101 -9.119 0.000) 12.197 5.239 ( 7.104 -2.108 0.000) 7.411 5.318 ( 14.841 -2.498 0.000) 15.050 5.663 ( 5.270 1.632 0.000) 5.517 5.963 ( -4.696 -4.399 0.000) 6.435 6.062 ( -6.109 -0.196 0.000) 6.112 6.250 ( 3.521 -8.890 0.000) 9.562 6.318 ( 5.158 0.591 0.000) 5.192 7.026 ( -4.515 -5.012 0.000) 6.746 7.151 ( -0.728 6.304 0.000) 6.346 7.505 ( -0.877 10.811 0.000) 10.847 7.528 ( -5.535 3.770 0.000) 6.697 7.799 ( 0.084 -5.574 0.000) 5.574 7.820 ( 3.806 -7.667 0.000) 8.559 8.101 ( 13.154 -9.218 0.000) 16.063 8.133 ( 6.167 1.609 0.000) 6.373 8.299 ( 2.464 7.305 0.000) 7.709 8.330 ( 3.170 9.510 0.000) 10.025 8.512 ( -6.105 5.036 0.000) 7.915 8.611 ( -1.627 1.201 0.000) 2.022 8.730 ( -1.842 4.890 0.000) 5.225 8.810 ( -1.505 -2.245 0.000) 2.702 9.342 ( -2.364 -10.504 0.000) 10.767 9.397 ( -9.470 0.104 0.000) 9.470 9.515 ( -5.376 -6.459 0.000) 8.403 9.635 ( -0.769 -13.399 0.000) 13.421 9.720 ( -5.569 3.159 0.000) 6.402 9.727 ( -0.715 -9.442 0.000) 9.469 9.861 ( 2.222 -9.967 0.000) 10.212 9.898 ( 3.124 1.147 0.000) 3.328 10.192 ( -5.351 6.606 0.000) 8.501 10.244 ( 0.060 -16.207 0.000) 16.207 10.347 ( 3.380 -16.089 0.000) 16.440 10.370 ( 7.811 10.167 0.000) 12.821 10.639 ( -2.246 -5.344 0.000) 5.797 10.796 ( -1.007 -21.419 0.000) 21.443 11.401 ( -2.281 8.737 0.000) 9.030 11.631 ( 5.804 1.426 0.000) 5.977 11.735 ( -8.209 1.910 0.000) 8.429 11.955 ( -2.005 5.936 0.000) 6.266 12.268 ( 1.134 4.931 0.000) 5.059 12.568 ( -17.205 38.760 0.000) 42.407 12.960 ( 4.369 14.334 0.000) 14.985 13.540 ( -19.110 20.216 0.000) 27.818 13.693 ( -9.680 14.286 0.000) 17.257 13.808 ( -2.057 2.138 0.000) 2.967 13.971 ( 6.584 -0.375 0.000) 6.595 14.361 ( -4.830 -3.838 0.000) 6.169 15.596 ( 0.096 2.845 0.000) 2.847 15.600 ( 0.095 3.293 0.000) 3.294 17.104 ( 9.278 -26.354 0.000) 27.940 17.155 ( 0.159 -20.234 0.000) 20.235 17.498 ( 0.980 -8.303 0.000) 8.360 17.588 ( -1.335 -3.194 0.000) 3.462 17.643 ( -0.371 -2.372 0.000) 2.400 17.649 ( -2.324 -5.021 0.000) 5.533 19.083 ( 0.779 18.121 0.000) 18.138 19.425 ( -10.293 12.503 0.000) 16.194 19.581 ( -8.956 11.675 0.000) 14.714 19.698 ( -7.494 9.444 0.000) 12.056 21.612 ( 2.909 6.226 0.000) 6.872 21.770 ( -1.514 1.785 0.000) 2.341 22.092 ( 7.333 -3.600 0.000) 8.170 22.174 ( 18.513 -16.807 0.000) 25.004 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 19.369 16.732 0.000) 25.595 1.177 ( 24.250 11.045 0.000) 26.647 1.434 ( -12.761 13.405 0.000) 18.507 1.612 ( -16.547 6.150 0.000) 17.653 1.759 ( 0.474 6.916 0.000) 6.932 1.779 ( -6.743 9.414 0.000) 11.579 2.044 ( 28.249 17.577 0.000) 33.271 2.239 ( 8.218 6.060 0.000) 10.210 2.374 ( -8.197 6.272 0.000) 10.322 2.392 ( -6.144 6.244 0.000) 8.760 2.419 ( -0.984 9.144 0.000) 9.196 2.540 ( -6.168 1.627 0.000) 6.379 2.768 ( -3.974 4.694 0.000) 6.151 2.848 ( -16.764 11.483 0.000) 20.320 3.098 ( -0.871 9.753 0.000) 9.792 3.135 ( -4.257 11.764 0.000) 12.510 3.294 ( 13.086 2.950 0.000) 13.414 3.369 ( 11.682 3.005 0.000) 12.062 3.436 ( -3.245 5.429 0.000) 6.325 3.565 ( 1.468 12.431 0.000) 12.518 3.641 ( -13.703 3.359 0.000) 14.109 3.670 ( -6.106 10.105 0.000) 11.806 3.744 ( 7.330 10.272 0.000) 12.619 3.882 ( -4.407 10.751 0.000) 11.619 4.042 ( 12.332 12.175 0.000) 17.329 4.213 ( 13.865 11.092 0.000) 17.756 4.289 ( -11.084 8.476 0.000) 13.954 4.323 ( 11.910 2.166 0.000) 12.106 4.468 ( -12.829 8.827 0.000) 15.573 4.539 ( -12.068 1.749 0.000) 12.194 5.041 ( 1.174 0.410 0.000) 1.244 5.049 ( -0.084 0.249 0.000) 0.263 5.312 ( 2.953 -7.520 0.000) 8.079 5.322 ( 1.901 -4.595 0.000) 4.972 5.592 ( 14.509 -4.204 0.000) 15.106 5.789 ( 7.857 1.272 0.000) 7.959 5.825 ( -10.791 -4.888 0.000) 11.847 5.930 ( -7.731 0.537 0.000) 7.750 6.337 ( 5.119 -7.353 0.000) 8.959 6.385 ( 0.772 -3.611 0.000) 3.692 7.025 ( 3.961 -3.052 0.000) 5.001 7.113 ( -4.031 2.121 0.000) 4.556 7.459 ( -1.561 8.558 0.000) 8.699 7.472 ( -2.199 14.425 0.000) 14.592 7.821 ( 1.659 -8.496 0.000) 8.656 7.844 ( -0.550 -8.891 0.000) 8.908 8.231 ( 3.535 -3.610 0.000) 5.052 8.254 ( 2.541 -8.944 0.000) 9.298 8.374 ( 3.752 11.230 0.000) 11.841 8.426 ( -2.895 8.059 0.000) 8.563 8.442 ( 9.663 7.258 0.000) 12.085 8.569 ( -3.349 8.247 0.000) 8.901 8.697 ( -0.969 1.748 0.000) 1.999 8.739 ( -5.351 -6.365 0.000) 8.315 9.282 ( -2.155 1.167 0.000) 2.450 9.306 ( -2.540 -1.460 0.000) 2.930 9.425 ( -1.197 -6.447 0.000) 6.557 9.504 ( -8.308 -1.582 0.000) 8.457 9.715 ( 1.148 -8.775 0.000) 8.850 9.725 ( -0.017 -12.194 0.000) 12.194 9.901 ( 1.866 -5.300 0.000) 5.619 9.923 ( -0.374 -1.483 0.000) 1.530 10.171 ( 2.784 1.061 0.000) 2.979 10.229 ( -2.161 -10.218 0.000) 10.444 10.394 ( 1.915 -12.065 0.000) 12.216 10.429 ( -1.573 0.591 0.000) 1.680 10.673 ( 5.957 -9.345 0.000) 11.082 10.763 ( -3.174 -16.403 0.000) 16.708 11.396 ( 2.850 9.600 0.000) 10.015 11.520 ( -10.385 13.040 0.000) 16.670 11.781 ( 7.181 -3.760 0.000) 8.106 11.893 ( -4.933 1.254 0.000) 5.090 12.292 ( 1.768 12.923 0.000) 13.044 12.354 ( -6.271 26.404 0.000) 27.138 13.067 ( 7.322 18.669 0.000) 20.053 13.229 ( -11.360 23.219 0.000) 25.849 13.733 ( 3.559 2.098 0.000) 4.132 13.778 ( -1.689 1.592 0.000) 2.321 14.103 ( 7.805 -1.768 0.000) 8.003 14.244 ( -7.543 -3.049 0.000) 8.136 15.599 ( 0.196 3.004 0.000) 3.010 15.601 ( -0.011 3.085 0.000) 3.085 17.162 ( 0.665 -21.900 0.000) 21.910 17.172 ( 0.211 -24.874 0.000) 24.875 17.523 ( 1.720 -6.964 0.000) 7.173 17.557 ( -1.939 -4.926 0.000) 5.295 17.627 ( -0.086 -3.593 0.000) 3.594 17.634 ( -0.586 -2.789 0.000) 2.850 19.188 ( 9.740 16.440 0.000) 19.108 19.387 ( -11.551 13.431 0.000) 17.715 19.391 ( 4.127 10.694 0.000) 11.463 19.529 ( -9.974 9.817 0.000) 13.995 21.681 ( 3.883 4.099 0.000) 5.646 21.737 ( -2.320 2.693 0.000) 3.555 22.230 ( 6.945 -5.572 0.000) 8.905 22.307 ( -0.453 -10.134 0.000) 10.144 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 30.348 0.000) 30.348 1.224 ( 0.000 29.396 0.000) 29.396 1.786 ( 0.000 21.976 0.000) 21.976 1.829 ( 0.000 9.833 0.000) 9.833 2.170 ( 0.000 3.661 0.000) 3.661 2.171 ( 0.000 12.195 0.000) 12.195 2.235 ( 0.000 44.468 0.000) 44.468 2.479 ( 0.000 0.671 0.000) 0.671 2.627 ( 0.000 14.424 0.000) 14.424 2.669 ( 0.000 9.539 0.000) 9.539 2.804 ( 0.000 13.961 0.000) 13.961 2.819 ( 0.000 4.383 0.000) 4.383 2.926 ( 0.000 7.142 0.000) 7.142 2.968 ( 0.000 4.894 0.000) 4.894 2.977 ( 0.000 -2.431 0.000) 2.431 3.268 ( 0.000 19.624 0.000) 19.624 3.298 ( 0.000 11.667 0.000) 11.667 3.582 ( 0.000 5.522 0.000) 5.522 3.663 ( 0.000 5.945 0.000) 5.945 3.835 ( 0.000 -1.877 0.000) 1.877 3.877 ( 0.000 16.437 0.000) 16.437 3.957 ( 0.000 22.972 0.000) 22.972 4.087 ( 0.000 24.347 0.000) 24.347 4.138 ( 0.000 20.541 0.000) 20.541 4.206 ( 0.000 13.439 0.000) 13.439 4.393 ( 0.000 19.307 0.000) 19.307 4.480 ( 0.000 15.188 0.000) 15.188 4.582 ( 0.000 7.805 0.000) 7.805 4.886 ( 0.000 -1.278 0.000) 1.278 4.974 ( 0.000 8.444 0.000) 8.444 4.976 ( 0.000 3.247 0.000) 3.247 5.051 ( 0.000 2.198 0.000) 2.198 5.079 ( 0.000 -1.798 0.000) 1.798 5.084 ( 0.000 6.820 0.000) 6.820 5.158 ( 0.000 2.365 0.000) 2.365 5.668 ( 0.000 4.020 0.000) 4.020 5.881 ( 0.000 -8.051 0.000) 8.051 5.998 ( 0.000 -12.218 0.000) 12.218 6.106 ( 0.000 -1.892 0.000) 1.892 6.307 ( 0.000 2.122 0.000) 2.122 6.966 ( 0.000 -6.289 0.000) 6.289 7.289 ( 0.000 5.537 0.000) 5.537 7.359 ( 0.000 -7.521 0.000) 7.521 7.642 ( 0.000 -5.698 0.000) 5.698 7.705 ( 0.000 5.243 0.000) 5.243 7.892 ( 0.000 0.026 0.000) 0.026 7.892 ( 0.000 0.872 0.000) 0.872 8.038 ( 0.000 -0.951 0.000) 0.951 8.373 ( 0.000 3.751 0.000) 3.751 8.474 ( 0.000 -3.827 0.000) 3.827 8.529 ( 0.000 -8.523 0.000) 8.523 8.703 ( 0.000 5.641 0.000) 5.641 8.709 ( 0.000 -12.795 0.000) 12.795 8.907 ( 0.000 14.995 0.000) 14.995 9.236 ( 0.000 -1.121 0.000) 1.121 9.274 ( 0.000 -29.386 0.000) 29.386 9.368 ( 0.000 -12.571 0.000) 12.571 9.455 ( 0.000 -2.003 0.000) 2.003 9.457 ( 0.000 -8.055 0.000) 8.055 9.715 ( 0.000 -4.859 0.000) 4.859 9.737 ( 0.000 -0.359 0.000) 0.359 9.742 ( 0.000 -25.620 0.000) 25.620 9.782 ( 0.000 -25.957 0.000) 25.957 9.922 ( 0.000 -1.801 0.000) 1.801 10.246 ( 0.000 -7.311 0.000) 7.311 10.583 ( 0.000 13.509 0.000) 13.509 10.667 ( 0.000 8.384 0.000) 8.384 10.681 ( 0.000 2.132 0.000) 2.132 11.457 ( 0.000 -9.942 0.000) 9.942 11.542 ( 0.000 2.031 0.000) 2.031 11.854 ( 0.000 2.322 0.000) 2.322 12.005 ( 0.000 -3.693 0.000) 3.693 12.456 ( 0.000 17.022 0.000) 17.022 13.233 ( 0.000 18.394 0.000) 18.394 13.350 ( 0.000 27.876 0.000) 27.876 13.685 ( 0.000 7.072 0.000) 7.072 13.866 ( 0.000 -0.699 0.000) 0.699 13.955 ( 0.000 6.660 0.000) 6.660 14.152 ( 0.000 -7.450 0.000) 7.450 14.355 ( 0.000 -2.139 0.000) 2.139 15.679 ( 0.000 5.733 0.000) 5.733 15.708 ( 0.000 6.947 0.000) 6.947 16.647 ( 0.000 -13.322 0.000) 13.322 16.748 ( 0.000 -19.926 0.000) 19.926 17.266 ( 0.000 -13.243 0.000) 13.243 17.507 ( 0.000 -11.163 0.000) 11.163 17.525 ( 0.000 -4.800 0.000) 4.800 17.530 ( 0.000 -8.942 0.000) 8.942 19.321 ( 0.000 6.551 0.000) 6.551 19.479 ( 0.000 -13.428 0.000) 13.428 19.837 ( 0.000 3.272 0.000) 3.272 19.934 ( 0.000 4.649 0.000) 4.649 21.843 ( 0.000 11.203 0.000) 11.203 21.887 ( 0.000 9.528 0.000) 9.528 21.946 ( 0.000 17.688 0.000) 17.688 21.994 ( 0.000 3.025 0.000) 3.025 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 6.971 26.387 0.000) 27.292 1.299 ( 8.061 27.241 0.000) 28.409 1.819 ( 2.037 18.860 0.000) 18.970 1.835 ( 0.482 10.798 0.000) 10.809 2.068 ( -9.571 12.147 0.000) 15.465 2.163 ( 1.435 7.879 0.000) 8.009 2.300 ( -19.334 5.954 0.000) 20.230 2.366 ( 12.262 36.781 0.000) 38.771 2.562 ( -8.802 1.333 0.000) 8.902 2.662 ( -0.410 10.493 0.000) 10.501 2.670 ( -0.446 13.524 0.000) 13.531 2.701 ( -5.641 11.110 0.000) 12.460 3.024 ( 4.242 5.134 0.000) 6.660 3.119 ( 11.384 8.539 0.000) 14.230 3.177 ( 8.791 9.135 0.000) 12.678 3.241 ( 1.809 12.499 0.000) 12.630 3.327 ( 1.326 12.376 0.000) 12.446 3.516 ( -5.863 7.951 0.000) 9.879 3.625 ( -3.777 5.596 0.000) 6.751 3.773 ( -5.536 0.825 0.000) 5.597 3.911 ( 0.340 19.374 0.000) 19.377 3.973 ( 6.495 18.101 0.000) 19.231 4.123 ( 0.132 15.800 0.000) 15.801 4.190 ( -6.544 22.177 0.000) 23.122 4.262 ( 5.418 12.920 0.000) 14.010 4.330 ( 2.071 19.084 0.000) 19.196 4.366 ( -2.525 19.049 0.000) 19.216 4.578 ( -1.692 8.646 0.000) 8.810 4.837 ( -4.365 9.627 0.000) 10.571 4.858 ( -12.716 7.272 0.000) 14.648 5.033 ( 4.121 2.950 0.000) 5.068 5.035 ( 2.104 -0.393 0.000) 2.140 5.080 ( 3.341 -2.409 0.000) 4.119 5.212 ( 3.163 0.385 0.000) 3.186 5.274 ( 11.978 -0.734 0.000) 12.000 5.718 ( 5.237 4.052 0.000) 6.621 5.834 ( -5.277 -8.369 0.000) 9.894 6.042 ( 4.961 -11.329 0.000) 12.368 6.057 ( -4.896 -0.614 0.000) 4.934 6.320 ( 0.535 -0.901 0.000) 1.048 6.921 ( -1.700 -4.302 0.000) 4.626 7.250 ( -4.805 3.053 0.000) 5.693 7.467 ( 8.417 -8.060 0.000) 11.653 7.639 ( -1.266 6.226 0.000) 6.353 7.662 ( -0.743 -7.408 0.000) 7.445 7.840 ( -3.122 5.221 0.000) 6.084 7.980 ( 6.507 -4.281 0.000) 7.789 8.130 ( 5.186 -0.190 0.000) 5.190 8.351 ( 2.055 -0.585 0.000) 2.136 8.548 ( 1.932 -7.951 0.000) 8.183 8.552 ( 5.526 3.059 0.000) 6.317 8.618 ( -4.184 0.416 0.000) 4.204 8.738 ( -0.672 -4.462 0.000) 4.512 8.891 ( -3.171 12.967 0.000) 13.349 9.165 ( -2.520 -9.676 0.000) 9.998 9.299 ( 2.746 -22.185 0.000) 22.354 9.381 ( -6.234 -6.673 0.000) 9.132 9.410 ( 0.340 -8.589 0.000) 8.596 9.428 ( -3.995 -2.657 0.000) 4.798 9.624 ( -3.843 -15.403 0.000) 15.875 9.707 ( -1.318 -5.090 0.000) 5.258 9.791 ( 0.900 -22.814 0.000) 22.832 9.841 ( 2.338 -10.814 0.000) 11.064 9.918 ( -0.718 -9.839 0.000) 9.865 10.236 ( 0.897 -3.476 0.000) 3.590 10.613 ( 0.395 9.339 0.000) 9.347 10.661 ( -0.700 4.431 0.000) 4.486 10.661 ( 0.028 6.943 0.000) 6.943 11.502 ( -2.714 2.004 0.000) 3.373 11.508 ( 4.702 -10.548 0.000) 11.549 11.826 ( -2.820 4.291 0.000) 5.134 11.973 ( -3.751 -3.189 0.000) 4.923 12.508 ( 5.730 17.968 0.000) 18.859 13.234 ( -12.977 29.224 0.000) 31.976 13.308 ( 7.755 19.442 0.000) 20.931 13.713 ( 2.169 6.786 0.000) 7.124 13.853 ( -1.128 1.894 0.000) 2.205 13.963 ( -16.457 6.216 0.000) 17.592 13.989 ( 3.377 2.957 0.000) 4.489 14.283 ( -5.664 -3.107 0.000) 6.460 15.681 ( 0.271 5.813 0.000) 5.820 15.699 ( -0.558 6.717 0.000) 6.740 16.682 ( 2.680 -17.205 0.000) 17.413 16.742 ( -0.640 -20.100 0.000) 20.110 17.283 ( 1.901 -12.889 0.000) 13.029 17.470 ( -3.405 -10.244 0.000) 10.795 17.520 ( -0.550 -6.123 0.000) 6.147 17.527 ( -0.353 -8.793 0.000) 8.801 19.327 ( 1.898 5.453 0.000) 5.774 19.482 ( 1.280 -4.369 0.000) 4.553 19.759 ( -7.887 3.807 0.000) 8.758 19.866 ( -7.172 4.859 0.000) 8.663 21.821 ( 0.234 14.357 0.000) 14.358 21.874 ( -0.705 9.716 0.000) 9.742 22.062 ( 6.006 2.518 0.000) 6.512 22.087 ( 9.594 6.337 0.000) 11.498 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 16.561 17.100 0.000) 23.805 1.496 ( 13.033 22.518 0.000) 26.017 1.744 ( -11.692 17.662 0.000) 21.181 1.783 ( -12.391 11.463 0.000) 16.880 1.949 ( -1.804 12.582 0.000) 12.710 1.970 ( -8.658 9.426 0.000) 12.799 2.239 ( 6.986 3.660 0.000) 7.887 2.395 ( -9.485 0.956 0.000) 9.533 2.576 ( 6.268 19.143 0.000) 20.143 2.635 ( -2.215 12.762 0.000) 12.953 2.689 ( 4.975 21.502 0.000) 22.070 2.711 ( 2.672 15.191 0.000) 15.424 3.031 ( 2.208 18.766 0.000) 18.895 3.187 ( -9.105 18.462 0.000) 20.585 3.290 ( 4.359 7.480 0.000) 8.658 3.303 ( -0.938 11.745 0.000) 11.782 3.403 ( 11.861 0.983 0.000) 11.901 3.456 ( 3.340 10.050 0.000) 10.591 3.543 ( -5.580 4.961 0.000) 7.466 3.641 ( -9.867 1.661 0.000) 10.006 3.953 ( -4.373 21.176 0.000) 21.623 3.960 ( -3.991 18.982 0.000) 19.397 4.035 ( 6.926 17.914 0.000) 19.207 4.184 ( -4.212 17.322 0.000) 17.827 4.327 ( 9.261 14.218 0.000) 16.968 4.417 ( 7.259 9.545 0.000) 11.992 4.485 ( -0.189 14.446 0.000) 14.447 4.535 ( -0.022 12.755 0.000) 12.755 4.634 ( -7.346 12.001 0.000) 14.071 4.732 ( -7.441 17.149 0.000) 18.694 5.063 ( 1.070 1.421 0.000) 1.779 5.070 ( 0.468 3.282 0.000) 3.315 5.165 ( 4.766 -6.848 0.000) 8.343 5.225 ( -1.589 -4.305 0.000) 4.589 5.493 ( 11.860 -4.953 0.000) 12.853 5.694 ( -9.986 -7.958 0.000) 12.769 5.832 ( 6.748 3.211 0.000) 7.473 5.951 ( -6.396 1.668 0.000) 6.610 6.165 ( 7.782 -9.564 0.000) 12.330 6.286 ( -4.757 -6.499 0.000) 8.054 6.968 ( 6.621 -2.200 0.000) 6.977 7.119 ( -8.891 -0.937 0.000) 8.941 7.587 ( 4.449 -6.854 0.000) 8.171 7.630 ( -0.508 -0.670 0.000) 0.841 7.685 ( 3.275 1.772 0.000) 3.723 7.767 ( -4.855 7.689 0.000) 9.093 8.090 ( 4.463 -6.873 0.000) 8.195 8.142 ( -1.892 -4.799 0.000) 5.158 8.484 ( 9.534 -2.949 0.000) 9.980 8.576 ( 1.814 -3.717 0.000) 4.136 8.606 ( 0.056 -2.795 0.000) 2.796 8.618 ( 0.803 6.268 0.000) 6.319 8.701 ( -0.951 5.494 0.000) 5.576 8.779 ( -7.459 8.130 0.000) 11.034 9.190 ( 3.477 -15.268 0.000) 15.659 9.266 ( -5.518 -10.250 0.000) 11.641 9.344 ( -1.817 3.153 0.000) 3.639 9.351 ( -3.215 -1.395 0.000) 3.505 9.415 ( 7.154 -18.984 0.000) 20.287 9.560 ( -5.473 -14.017 0.000) 15.048 9.708 ( 0.770 -12.914 0.000) 12.937 9.763 ( -6.394 -11.501 0.000) 13.159 9.833 ( 3.805 -17.225 0.000) 17.640 9.899 ( -2.650 -14.366 0.000) 14.609 10.340 ( 9.652 0.387 0.000) 9.660 10.518 ( -8.767 2.987 0.000) 9.262 10.675 ( 1.190 5.199 0.000) 5.333 10.685 ( 0.701 6.146 0.000) 6.186 11.503 ( 3.200 0.682 0.000) 3.272 11.564 ( -0.726 -7.858 0.000) 7.892 11.794 ( 1.356 5.038 0.000) 5.218 11.878 ( -6.152 -1.273 0.000) 6.282 12.663 ( 11.550 22.171 0.000) 24.999 12.931 ( -17.753 28.235 0.000) 33.352 13.479 ( 10.263 21.036 0.000) 23.406 13.661 ( -9.568 18.045 0.000) 20.425 13.803 ( 0.492 5.794 0.000) 5.814 13.829 ( -1.535 3.746 0.000) 4.048 14.067 ( 5.221 -1.452 0.000) 5.419 14.173 ( -6.290 -3.720 0.000) 7.307 15.687 ( 0.355 5.963 0.000) 5.973 15.692 ( -0.232 6.177 0.000) 6.181 16.715 ( 1.006 -20.107 0.000) 20.132 16.729 ( -0.695 -20.401 0.000) 20.413 17.332 ( 3.369 -11.982 0.000) 12.447 17.400 ( -4.056 -10.881 0.000) 11.613 17.514 ( 0.007 -7.211 0.000) 7.211 17.519 ( -0.455 -8.247 0.000) 8.259 19.417 ( 7.896 4.853 0.000) 9.268 19.549 ( 6.428 3.309 0.000) 7.229 19.587 ( -10.243 4.443 0.000) 11.165 19.703 ( -9.836 5.166 0.000) 11.110 21.843 ( 1.575 12.743 0.000) 12.840 21.864 ( -0.668 10.926 0.000) 10.946 22.166 ( 4.533 1.111 0.000) 4.667 22.196 ( 1.879 0.938 0.000) 2.100 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.000 26.026 0.000) 26.026 1.782 ( 0.000 29.936 0.000) 29.936 2.093 ( 0.000 16.464 0.000) 16.464 2.190 ( 0.000 20.199 0.000) 20.199 2.277 ( 0.000 7.596 0.000) 7.596 2.407 ( 0.000 11.901 0.000) 11.901 2.500 ( 0.000 2.635 0.000) 2.635 2.864 ( 0.000 10.642 0.000) 10.642 2.871 ( 0.000 5.684 0.000) 5.684 2.905 ( 0.000 11.056 0.000) 11.056 2.973 ( 0.000 6.047 0.000) 6.047 3.009 ( 0.000 2.682 0.000) 2.682 3.067 ( 0.000 9.915 0.000) 9.915 3.117 ( 0.000 9.340 0.000) 9.340 3.145 ( 0.000 36.085 0.000) 36.085 3.489 ( 0.000 6.380 0.000) 6.380 3.608 ( 0.000 1.219 0.000) 1.219 3.705 ( 0.000 21.229 0.000) 21.229 3.757 ( 0.000 3.809 0.000) 3.809 3.773 ( 0.000 -3.956 0.000) 3.956 4.187 ( 0.000 11.052 0.000) 11.052 4.316 ( 0.000 9.092 0.000) 9.092 4.474 ( 0.000 12.683 0.000) 12.683 4.537 ( 0.000 19.526 0.000) 19.526 4.548 ( 0.000 21.500 0.000) 21.500 4.712 ( 0.000 4.825 0.000) 4.825 4.794 ( 0.000 15.928 0.000) 15.928 4.828 ( 0.000 18.140 0.000) 18.140 4.852 ( 0.000 8.736 0.000) 8.736 5.049 ( 0.000 0.708 0.000) 0.708 5.054 ( 0.000 8.044 0.000) 8.044 5.175 ( 0.000 9.967 0.000) 9.967 5.264 ( 0.000 7.344 0.000) 7.344 5.272 ( 0.000 17.999 0.000) 17.999 5.335 ( 0.000 15.667 0.000) 15.667 5.715 ( 0.000 -7.220 0.000) 7.220 5.777 ( 0.000 6.967 0.000) 6.967 5.786 ( 0.000 -7.218 0.000) 7.218 6.018 ( 0.000 -7.475 0.000) 7.475 6.326 ( 0.000 -0.232 0.000) 0.232 6.905 ( 0.000 0.555 0.000) 0.555 7.252 ( 0.000 -2.058 0.000) 2.058 7.354 ( 0.000 0.983 0.000) 0.983 7.523 ( 0.000 -6.112 0.000) 6.112 7.803 ( 0.000 4.354 0.000) 4.354 7.886 ( 0.000 -0.773 0.000) 0.773 7.919 ( 0.000 3.161 0.000) 3.161 8.063 ( 0.000 3.261 0.000) 3.261 8.222 ( 0.000 -21.926 0.000) 21.926 8.250 ( 0.000 -14.666 0.000) 14.666 8.371 ( 0.000 -9.354 0.000) 9.354 8.387 ( 0.000 -17.100 0.000) 17.100 8.710 ( 0.000 -19.031 0.000) 19.031 8.751 ( 0.000 -7.756 0.000) 7.756 8.904 ( 0.000 -22.706 0.000) 22.706 9.171 ( 0.000 -18.137 0.000) 18.137 9.209 ( 0.000 -5.556 0.000) 5.556 9.302 ( 0.000 -12.083 0.000) 12.083 9.397 ( 0.000 10.784 0.000) 10.784 9.425 ( 0.000 -2.124 0.000) 2.124 9.441 ( 0.000 1.099 0.000) 1.099 9.596 ( 0.000 -5.773 0.000) 5.773 9.740 ( 0.000 0.347 0.000) 0.347 9.952 ( 0.000 2.042 0.000) 2.042 10.309 ( 0.000 11.575 0.000) 11.575 10.689 ( 0.000 -1.443 0.000) 1.443 10.759 ( 0.000 3.679 0.000) 3.679 10.857 ( 0.000 8.900 0.000) 8.900 11.206 ( 0.000 -14.891 0.000) 14.891 11.538 ( 0.000 -1.955 0.000) 1.955 11.874 ( 0.000 -0.621 0.000) 0.621 11.907 ( 0.000 -5.244 0.000) 5.244 12.833 ( 0.000 20.080 0.000) 20.080 13.598 ( 0.000 17.679 0.000) 17.679 13.830 ( 0.000 7.115 0.000) 7.115 13.838 ( 0.000 21.307 0.000) 21.307 13.874 ( 0.000 1.985 0.000) 1.985 14.005 ( 0.000 -6.833 0.000) 6.833 14.099 ( 0.000 7.631 0.000) 7.631 14.308 ( 0.000 -2.441 0.000) 2.441 15.823 ( 0.000 8.917 0.000) 8.917 15.874 ( 0.000 9.996 0.000) 9.996 16.413 ( 0.000 -13.484 0.000) 13.484 16.416 ( 0.000 -9.759 0.000) 9.759 16.992 ( 0.000 -14.135 0.000) 14.135 17.254 ( 0.000 -14.199 0.000) 14.199 17.319 ( 0.000 -11.987 0.000) 11.987 17.413 ( 0.000 -6.533 0.000) 6.533 19.212 ( 0.000 -13.305 0.000) 13.305 19.321 ( 0.000 -6.028 0.000) 6.028 19.759 ( 0.000 -10.580 0.000) 10.580 19.882 ( 0.000 -10.032 0.000) 10.032 22.156 ( 0.000 19.527 0.000) 19.527 22.164 ( 0.000 17.549 0.000) 17.549 22.175 ( 0.000 14.869 0.000) 14.869 22.309 ( 0.000 18.533 0.000) 18.533 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.204 27.434 0.000) 27.435 1.816 ( 4.843 24.852 0.000) 25.319 2.112 ( 1.731 16.785 0.000) 16.874 2.201 ( -0.010 19.864 0.000) 19.864 2.273 ( -0.564 7.970 0.000) 7.990 2.335 ( -5.687 12.764 0.000) 13.974 2.381 ( -14.567 4.046 0.000) 15.119 2.606 ( -12.023 3.330 0.000) 12.475 2.872 ( -1.412 12.882 0.000) 12.959 2.892 ( 0.068 12.110 0.000) 12.111 2.958 ( 2.948 14.534 0.000) 14.830 3.082 ( 7.129 4.187 0.000) 8.268 3.162 ( 1.503 25.161 0.000) 25.206 3.242 ( 9.795 9.500 0.000) 13.645 3.355 ( 10.230 6.504 0.000) 12.122 3.500 ( 4.474 4.181 0.000) 6.123 3.592 ( -2.242 2.228 0.000) 3.161 3.655 ( -1.577 24.159 0.000) 24.211 3.717 ( -3.733 3.816 0.000) 5.339 3.754 ( -1.925 -1.553 0.000) 2.474 4.274 ( -2.086 13.493 0.000) 13.653 4.291 ( 9.034 9.645 0.000) 13.215 4.445 ( -5.123 20.615 0.000) 21.242 4.535 ( 3.905 10.497 0.000) 11.200 4.578 ( -1.019 12.773 0.000) 12.814 4.707 ( -7.195 19.344 0.000) 20.639 4.745 ( -4.693 18.263 0.000) 18.857 4.811 ( 1.507 16.708 0.000) 16.776 4.865 ( 6.638 -2.426 0.000) 7.068 5.011 ( -0.455 5.795 0.000) 5.813 5.081 ( -2.007 8.428 0.000) 8.664 5.178 ( 0.054 11.305 0.000) 11.306 5.261 ( -1.476 17.081 0.000) 17.145 5.275 ( 0.176 5.766 0.000) 5.769 5.354 ( 3.244 9.612 0.000) 10.145 5.667 ( -5.096 -6.990 0.000) 8.651 5.824 ( 4.719 6.452 0.000) 7.994 5.852 ( 6.589 -5.871 0.000) 8.825 6.012 ( -0.676 -4.662 0.000) 4.711 6.281 ( -4.995 -2.072 0.000) 5.408 6.891 ( 0.301 1.388 0.000) 1.421 7.268 ( -8.814 -1.023 0.000) 8.873 7.339 ( 7.400 -3.555 0.000) 8.210 7.523 ( -0.025 -5.381 0.000) 5.381 7.771 ( 0.106 5.441 0.000) 5.442 7.874 ( -0.845 -2.397 0.000) 2.541 7.969 ( 4.287 3.853 0.000) 5.764 8.119 ( -1.961 -2.659 0.000) 3.304 8.246 ( 4.535 -8.338 0.000) 9.491 8.255 ( 3.091 -21.581 0.000) 21.801 8.391 ( 0.864 -14.505 0.000) 14.530 8.449 ( 6.377 -14.573 0.000) 15.907 8.745 ( -0.031 -6.774 0.000) 6.774 8.757 ( 5.019 -15.531 0.000) 16.322 8.911 ( 0.670 -22.824 0.000) 22.834 9.117 ( -6.893 0.559 0.000) 6.916 9.132 ( -3.703 -19.604 0.000) 19.951 9.225 ( -5.433 -8.294 0.000) 9.915 9.430 ( -0.926 -3.602 0.000) 3.720 9.440 ( -1.981 -1.031 0.000) 2.233 9.457 ( 3.409 9.436 0.000) 10.033 9.647 ( 5.458 -8.022 0.000) 9.703 9.716 ( -1.243 0.989 0.000) 1.588 9.882 ( -7.305 2.033 0.000) 7.583 10.312 ( 0.911 9.191 0.000) 9.236 10.656 ( -4.078 -1.164 0.000) 4.241 10.767 ( 0.756 1.920 0.000) 2.063 10.830 ( -2.092 7.950 0.000) 8.220 11.260 ( 5.026 -13.974 0.000) 14.850 11.496 ( -3.644 -2.360 0.000) 4.341 11.873 ( -0.163 0.375 0.000) 0.409 11.896 ( -1.198 -3.665 0.000) 3.856 12.896 ( 6.993 20.158 0.000) 21.336 13.675 ( 7.854 16.828 0.000) 18.570 13.697 ( -13.219 15.749 0.000) 20.561 13.866 ( 1.080 10.001 0.000) 10.059 13.889 ( 1.528 2.418 0.000) 2.861 13.991 ( -0.239 -0.735 0.000) 0.773 14.090 ( -1.005 6.751 0.000) 6.825 14.256 ( -5.563 0.100 0.000) 5.564 15.826 ( 0.379 8.951 0.000) 8.959 15.863 ( -1.043 9.927 0.000) 9.981 16.406 ( -0.584 -13.341 0.000) 13.354 16.411 ( -0.519 -10.568 0.000) 10.581 17.014 ( 2.361 -14.036 0.000) 14.233 17.221 ( -3.290 -14.191 0.000) 14.568 17.321 ( 0.234 -11.641 0.000) 11.644 17.394 ( -1.945 -7.055 0.000) 7.319 19.245 ( 4.121 -10.762 0.000) 11.524 19.377 ( 5.596 -7.177 0.000) 9.101 19.693 ( -6.858 -9.912 0.000) 12.053 19.822 ( -6.339 -9.402 0.000) 11.339 22.152 ( 0.099 17.545 0.000) 17.545 22.159 ( 0.321 19.550 0.000) 19.553 22.232 ( 4.341 14.194 0.000) 14.843 22.332 ( 1.918 16.143 0.000) 16.257 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 6.914 20.340 0.000) 21.484 1.939 ( 8.519 21.759 0.000) 23.367 2.034 ( -14.168 13.189 0.000) 19.357 2.107 ( -9.318 18.616 0.000) 20.817 2.193 ( 1.012 14.215 0.000) 14.251 2.233 ( -2.277 15.067 0.000) 15.239 2.345 ( 4.880 8.354 0.000) 9.675 2.455 ( -6.874 5.448 0.000) 8.771 2.871 ( 0.912 13.601 0.000) 13.631 2.887 ( -0.598 12.785 0.000) 12.799 3.040 ( 5.632 16.553 0.000) 17.485 3.137 ( -4.168 19.137 0.000) 19.585 3.232 ( 8.096 3.832 0.000) 8.957 3.347 ( -4.773 2.394 0.000) 5.340 3.421 ( 9.349 1.095 0.000) 9.413 3.547 ( 0.202 6.996 0.000) 6.999 3.556 ( -4.359 3.000 0.000) 5.291 3.623 ( -6.371 5.646 0.000) 8.513 3.726 ( 6.413 24.042 0.000) 24.882 3.772 ( 2.513 11.821 0.000) 12.085 4.311 ( 6.521 12.412 0.000) 14.021 4.344 ( -0.999 17.029 0.000) 17.059 4.425 ( -8.604 21.035 0.000) 22.727 4.454 ( -1.095 10.724 0.000) 10.780 4.598 ( 3.290 12.849 0.000) 13.263 4.665 ( 2.316 11.389 0.000) 11.623 4.674 ( -1.784 5.877 0.000) 6.142 4.783 ( -7.182 13.722 0.000) 15.488 4.997 ( 2.941 17.585 0.000) 17.830 4.998 ( 5.380 4.556 0.000) 7.050 5.125 ( 4.707 5.769 0.000) 7.446 5.169 ( -0.488 12.025 0.000) 12.035 5.210 ( -4.182 12.556 0.000) 13.234 5.215 ( -4.847 5.760 0.000) 7.528 5.451 ( 5.801 2.355 0.000) 6.261 5.557 ( -6.244 -3.906 0.000) 7.365 5.916 ( 4.895 5.089 0.000) 7.061 5.986 ( -2.619 1.035 0.000) 2.816 5.999 ( 8.915 -5.703 0.000) 10.583 6.156 ( -8.282 -4.800 0.000) 9.572 6.947 ( 5.812 0.123 0.000) 5.813 7.090 ( -9.616 -1.689 0.000) 9.763 7.458 ( 5.042 -4.343 0.000) 6.655 7.514 ( -1.386 -4.589 0.000) 4.793 7.820 ( 3.942 4.541 0.000) 6.013 7.863 ( -0.689 -1.305 0.000) 1.476 8.015 ( 0.346 0.416 0.000) 0.542 8.043 ( -3.798 -5.520 0.000) 6.700 8.311 ( 2.367 -19.940 0.000) 20.080 8.318 ( 1.787 -14.358 0.000) 14.469 8.442 ( 5.018 -10.581 0.000) 11.711 8.518 ( -0.867 -11.896 0.000) 11.927 8.780 ( 4.121 -7.702 0.000) 8.735 8.849 ( 0.346 -17.317 0.000) 17.321 8.920 ( 3.675 -5.711 0.000) 6.791 9.045 ( -6.552 -9.911 0.000) 11.881 9.068 ( 2.728 -8.222 0.000) 8.663 9.136 ( -3.977 -15.168 0.000) 15.681 9.375 ( -3.273 -0.343 0.000) 3.291 9.377 ( -3.309 1.172 0.000) 3.510 9.539 ( 6.265 3.741 0.000) 7.297 9.683 ( -6.942 -0.295 0.000) 6.948 9.729 ( 1.927 -0.205 0.000) 1.938 9.752 ( -1.779 -2.318 0.000) 2.922 10.376 ( 6.804 3.221 0.000) 7.528 10.533 ( -9.040 -0.948 0.000) 9.090 10.782 ( 0.931 2.365 0.000) 2.542 10.801 ( -1.173 5.514 0.000) 5.638 11.356 ( 5.037 -11.698 0.000) 12.736 11.432 ( -3.522 -6.452 0.000) 7.351 11.868 ( -0.291 1.855 0.000) 1.877 11.872 ( -0.991 0.221 0.000) 1.015 13.088 ( 14.219 19.958 0.000) 24.505 13.392 ( -18.552 18.057 0.000) 25.889 13.829 ( 6.626 12.594 0.000) 14.230 13.876 ( -0.235 7.582 0.000) 7.586 13.937 ( 4.886 7.401 0.000) 8.868 14.002 ( 0.493 9.553 0.000) 9.565 14.068 ( -1.048 2.716 0.000) 2.911 14.123 ( -8.036 0.520 0.000) 8.053 15.835 ( 0.531 9.061 0.000) 9.076 15.846 ( -0.743 9.427 0.000) 9.456 16.398 ( -0.230 -12.813 0.000) 12.815 16.400 ( -0.510 -11.861 0.000) 11.872 17.072 ( 3.945 -13.925 0.000) 14.473 17.149 ( -4.384 -14.041 0.000) 14.709 17.330 ( 0.908 -10.514 0.000) 10.553 17.356 ( -1.920 -8.674 0.000) 8.884 19.363 ( 8.611 -8.832 0.000) 12.335 19.507 ( 8.582 -7.500 0.000) 11.397 19.535 ( -9.866 -8.872 0.000) 13.268 19.674 ( -9.398 -8.154 0.000) 12.442 22.160 ( 0.541 18.147 0.000) 18.155 22.164 ( 0.136 18.923 0.000) 18.923 22.309 ( 3.705 12.834 0.000) 13.358 22.349 ( -0.520 13.251 0.000) 13.261 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.000 21.642 0.000) 21.642 2.357 ( 0.000 28.203 0.000) 28.203 2.448 ( 0.000 18.824 0.000) 18.824 2.459 ( 0.000 10.287 0.000) 10.287 2.557 ( 0.000 14.425 0.000) 14.425 2.580 ( 0.000 4.904 0.000) 4.904 2.637 ( 0.000 13.142 0.000) 13.142 2.865 ( 0.000 -2.273 0.000) 2.273 3.053 ( 0.000 7.174 0.000) 7.174 3.057 ( 0.000 2.328 0.000) 2.328 3.086 ( 0.000 8.368 0.000) 8.368 3.177 ( 0.000 10.150 0.000) 10.150 3.212 ( 0.000 6.821 0.000) 6.821 3.302 ( 0.000 8.837 0.000) 8.837 3.522 ( 0.000 -2.514 0.000) 2.514 3.528 ( 0.000 4.306 0.000) 4.306 3.699 ( 0.000 -3.449 0.000) 3.449 3.803 ( 0.000 0.691 0.000) 0.691 3.847 ( 0.000 17.518 0.000) 17.518 4.036 ( 0.000 12.572 0.000) 12.572 4.335 ( 0.000 -3.283 0.000) 3.283 4.393 ( 0.000 13.361 0.000) 13.361 4.481 ( 0.000 -8.423 0.000) 8.423 4.801 ( 0.000 5.266 0.000) 5.266 4.896 ( 0.000 16.727 0.000) 16.727 4.899 ( 0.000 7.661 0.000) 7.661 4.964 ( 0.000 0.680 0.000) 0.680 5.136 ( 0.000 13.750 0.000) 13.750 5.173 ( 0.000 19.017 0.000) 19.017 5.279 ( 0.000 13.131 0.000) 13.131 5.297 ( 0.000 19.680 0.000) 19.680 5.301 ( 0.000 6.717 0.000) 6.717 5.397 ( 0.000 6.689 0.000) 6.689 5.594 ( 0.000 6.191 0.000) 6.191 5.648 ( 0.000 15.172 0.000) 15.172 5.685 ( 0.000 3.757 0.000) 3.757 5.815 ( 0.000 10.043 0.000) 10.043 5.885 ( 0.000 1.925 0.000) 1.925 5.934 ( 0.000 8.846 0.000) 8.846 6.326 ( 0.000 1.240 0.000) 1.240 6.975 ( 0.000 5.826 0.000) 5.826 7.308 ( 0.000 7.526 0.000) 7.526 7.341 ( 0.000 -1.791 0.000) 1.791 7.412 ( 0.000 -4.960 0.000) 4.960 7.769 ( 0.000 -21.788 0.000) 21.788 7.786 ( 0.000 -12.251 0.000) 12.251 7.887 ( 0.000 0.863 0.000) 0.863 7.970 ( 0.000 -14.162 0.000) 14.162 8.021 ( 0.000 6.815 0.000) 6.815 8.058 ( 0.000 -8.210 0.000) 8.210 8.064 ( 0.000 -15.502 0.000) 15.502 8.134 ( 0.000 -0.398 0.000) 0.398 8.265 ( 0.000 -31.550 0.000) 31.550 8.353 ( 0.000 -22.628 0.000) 22.628 8.593 ( 0.000 -0.438 0.000) 0.438 9.007 ( 0.000 -11.529 0.000) 11.529 9.139 ( 0.000 -1.877 0.000) 1.877 9.172 ( 0.000 3.141 0.000) 3.141 9.356 ( 0.000 -4.556 0.000) 4.556 9.449 ( 0.000 2.648 0.000) 2.648 9.525 ( 0.000 -1.649 0.000) 1.649 9.676 ( 0.000 9.633 0.000) 9.633 9.744 ( 0.000 0.045 0.000) 0.045 9.973 ( 0.000 -0.670 0.000) 0.670 10.587 ( 0.000 15.265 0.000) 15.265 10.640 ( 0.000 -3.207 0.000) 3.207 10.726 ( 0.000 -6.273 0.000) 6.273 10.902 ( 0.000 -14.845 0.000) 14.845 10.978 ( 0.000 2.759 0.000) 2.759 11.483 ( 0.000 -3.068 0.000) 3.068 11.814 ( 0.000 -4.304 0.000) 4.304 11.823 ( 0.000 -4.672 0.000) 4.672 13.217 ( 0.000 18.479 0.000) 18.479 13.887 ( 0.000 10.729 0.000) 10.729 13.903 ( 0.000 -3.183 0.000) 3.183 13.944 ( 0.000 3.998 0.000) 3.998 13.953 ( 0.000 6.046 0.000) 6.046 14.183 ( 0.000 13.645 0.000) 13.645 14.245 ( 0.000 7.005 0.000) 7.005 14.274 ( 0.000 -0.501 0.000) 0.501 16.028 ( 0.000 11.783 0.000) 11.783 16.098 ( 0.000 12.555 0.000) 12.555 16.234 ( 0.000 -4.545 0.000) 4.545 16.270 ( 0.000 -4.993 0.000) 4.993 16.726 ( 0.000 -12.474 0.000) 12.474 16.962 ( 0.000 -15.093 0.000) 15.093 17.078 ( 0.000 -12.104 0.000) 12.104 17.268 ( 0.000 -8.227 0.000) 8.227 18.970 ( 0.000 -10.928 0.000) 10.928 19.132 ( 0.000 -11.804 0.000) 11.804 19.471 ( 0.000 -17.204 0.000) 17.204 19.587 ( 0.000 -18.306 0.000) 18.306 22.516 ( 0.000 18.062 0.000) 18.062 22.524 ( 0.000 17.849 0.000) 17.849 22.554 ( 0.000 19.568 0.000) 19.568 22.654 ( 0.000 16.059 0.000) 16.059 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 2.654 20.688 0.000) 20.857 2.310 ( -4.537 26.314 0.000) 26.702 2.452 ( 0.188 10.322 0.000) 10.324 2.466 ( -1.010 16.772 0.000) 16.802 2.478 ( -7.747 7.333 0.000) 10.667 2.569 ( -2.105 10.652 0.000) 10.858 2.593 ( -1.690 18.885 0.000) 18.961 2.697 ( -7.621 5.835 0.000) 9.598 3.075 ( 1.682 6.504 0.000) 6.718 3.119 ( 0.774 10.381 0.000) 10.410 3.141 ( 5.496 4.539 0.000) 7.129 3.214 ( 4.359 11.037 0.000) 11.867 3.348 ( 4.717 6.382 0.000) 7.936 3.411 ( 10.824 -0.042 0.000) 10.824 3.499 ( 2.398 -3.488 0.000) 4.233 3.520 ( -0.890 5.465 0.000) 5.537 3.698 ( 1.128 -3.122 0.000) 3.319 3.722 ( -9.529 11.176 0.000) 14.687 3.772 ( -3.497 0.542 0.000) 3.539 4.094 ( 3.302 15.617 0.000) 15.962 4.361 ( 2.580 -2.001 0.000) 3.265 4.459 ( 5.524 9.426 0.000) 10.925 4.540 ( 6.135 -5.706 0.000) 8.379 4.752 ( -4.142 5.127 0.000) 6.591 4.782 ( -6.898 8.804 0.000) 11.185 4.955 ( -1.500 12.354 0.000) 12.445 4.977 ( -0.096 1.934 0.000) 1.936 5.096 ( 1.254 14.978 0.000) 15.030 5.124 ( -7.534 18.475 0.000) 19.952 5.225 ( 2.273 15.452 0.000) 15.618 5.302 ( -4.204 12.190 0.000) 12.895 5.357 ( 3.271 8.540 0.000) 9.145 5.434 ( 3.681 10.635 0.000) 11.254 5.557 ( -3.760 5.831 0.000) 6.938 5.615 ( -2.288 14.895 0.000) 15.069 5.653 ( -2.612 5.916 0.000) 6.467 5.882 ( 6.043 8.870 0.000) 10.733 5.935 ( 4.376 2.629 0.000) 5.105 5.973 ( 3.655 8.451 0.000) 9.208 6.282 ( -4.645 2.564 0.000) 5.306 6.960 ( -0.774 5.187 0.000) 5.244 7.233 ( -8.983 -1.678 0.000) 9.139 7.358 ( 4.700 5.504 0.000) 7.238 7.447 ( 1.820 -2.839 0.000) 3.373 7.747 ( -2.166 -15.966 0.000) 16.112 7.751 ( -1.580 -12.275 0.000) 12.377 7.850 ( -2.079 -12.041 0.000) 12.219 7.939 ( -3.971 -14.269 0.000) 14.811 8.067 ( 1.231 -4.729 0.000) 4.887 8.082 ( 5.266 6.425 0.000) 8.308 8.153 ( 7.444 -9.178 0.000) 11.817 8.234 ( 5.889 -14.037 0.000) 15.222 8.270 ( 0.918 -29.876 0.000) 29.890 8.362 ( 3.174 -13.275 0.000) 13.649 8.655 ( 5.958 -2.346 0.000) 6.403 8.979 ( -2.059 -8.599 0.000) 8.842 9.116 ( -1.695 -0.251 0.000) 1.713 9.130 ( -4.031 2.229 0.000) 4.607 9.391 ( 1.938 -4.395 0.000) 4.804 9.455 ( -0.202 3.140 0.000) 3.147 9.545 ( 2.894 -2.109 0.000) 3.581 9.628 ( -3.271 4.938 0.000) 5.923 9.761 ( 0.679 3.436 0.000) 3.503 9.915 ( -6.093 0.049 0.000) 6.093 10.510 ( -5.931 8.859 0.000) 10.661 10.608 ( -4.762 -3.630 0.000) 5.988 10.714 ( 0.623 -6.157 0.000) 6.188 10.934 ( -2.879 2.066 0.000) 3.544 11.005 ( 7.521 -9.723 0.000) 12.293 11.433 ( -5.119 -3.231 0.000) 6.053 11.832 ( 1.558 -3.408 0.000) 3.747 11.838 ( 1.395 -4.004 0.000) 4.240 13.272 ( 6.014 17.639 0.000) 18.636 13.833 ( -7.229 2.044 0.000) 7.513 13.934 ( 4.706 8.563 0.000) 9.771 13.968 ( 1.505 6.028 0.000) 6.213 13.979 ( 2.673 0.653 0.000) 2.751 14.117 ( -4.610 10.574 0.000) 11.535 14.236 ( -0.922 7.623 0.000) 7.679 14.290 ( -0.026 3.844 0.000) 3.844 16.032 ( 0.426 11.784 0.000) 11.791 16.086 ( -1.233 12.510 0.000) 12.570 16.231 ( -0.218 -4.413 0.000) 4.418 16.262 ( -0.829 -4.669 0.000) 4.742 16.748 ( 2.263 -12.626 0.000) 12.827 16.932 ( -2.986 -14.785 0.000) 15.084 17.087 ( 1.102 -11.684 0.000) 11.736 17.241 ( -2.795 -8.392 0.000) 8.846 19.017 ( 4.994 -11.327 0.000) 12.379 19.174 ( 4.542 -12.383 0.000) 13.189 19.420 ( -5.402 -16.389 0.000) 17.257 19.541 ( -4.876 -17.538 0.000) 18.203 22.514 ( 0.438 18.107 0.000) 18.112 22.552 ( -0.268 19.225 0.000) 19.227 22.558 ( 2.750 17.186 0.000) 17.404 22.656 ( 0.091 15.765 0.000) 15.765 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -1.471 21.063 0.000) 21.115 2.285 ( -5.603 13.599 0.000) 14.708 2.348 ( 3.871 18.517 0.000) 18.918 2.446 ( -4.658 14.946 0.000) 15.655 2.488 ( -0.210 12.057 0.000) 12.059 2.502 ( 0.613 15.272 0.000) 15.285 2.603 ( 0.288 16.178 0.000) 16.180 2.614 ( -2.146 10.965 0.000) 11.173 3.100 ( 1.031 8.697 0.000) 8.757 3.115 ( -0.695 9.704 0.000) 9.728 3.256 ( 6.575 1.938 0.000) 6.855 3.321 ( 6.944 10.548 0.000) 12.628 3.369 ( -5.524 1.162 0.000) 5.645 3.434 ( -0.049 2.452 0.000) 2.453 3.486 ( 0.027 11.423 0.000) 11.423 3.562 ( -3.330 0.077 0.000) 3.331 3.619 ( 0.279 3.372 0.000) 3.384 3.686 ( -5.304 0.990 0.000) 5.396 3.886 ( 16.087 -2.047 0.000) 16.216 4.090 ( -5.113 7.432 0.000) 9.021 4.417 ( 3.788 -0.726 0.000) 3.857 4.505 ( -3.638 -2.536 0.000) 4.435 4.654 ( 3.361 -2.255 0.000) 4.047 4.692 ( -2.281 2.103 0.000) 3.103 4.702 ( 4.451 17.160 0.000) 17.728 4.869 ( -10.252 16.301 0.000) 19.257 4.953 ( 3.414 16.768 0.000) 17.112 5.041 ( -4.156 11.709 0.000) 12.425 5.157 ( 3.167 8.603 0.000) 9.168 5.197 ( -2.561 6.525 0.000) 7.009 5.310 ( 3.622 14.444 0.000) 14.891 5.371 ( -2.122 10.362 0.000) 10.578 5.474 ( 0.846 13.494 0.000) 13.521 5.493 ( -2.227 11.039 0.000) 11.261 5.594 ( 0.114 10.474 0.000) 10.474 5.612 ( -1.713 7.165 0.000) 7.367 5.991 ( 4.312 6.251 0.000) 7.594 6.003 ( 2.259 4.271 0.000) 4.831 6.048 ( 5.291 7.943 0.000) 9.544 6.171 ( -7.189 5.595 0.000) 9.110 6.975 ( 2.947 2.925 0.000) 4.153 7.073 ( -7.727 0.541 0.000) 7.745 7.441 ( 3.453 2.515 0.000) 4.272 7.467 ( 0.209 -0.682 0.000) 0.713 7.722 ( 0.248 -12.807 0.000) 12.809 7.741 ( -0.542 -14.275 0.000) 14.285 7.829 ( -0.327 -18.287 0.000) 18.290 7.856 ( -3.895 -14.529 0.000) 15.042 8.101 ( 2.467 -0.894 0.000) 2.624 8.135 ( -0.240 2.316 0.000) 2.328 8.247 ( 1.832 -24.979 0.000) 25.046 8.264 ( -0.384 -28.124 0.000) 28.126 8.348 ( 7.667 -6.799 0.000) 10.248 8.434 ( 0.299 -2.182 0.000) 2.202 8.785 ( 8.274 -5.280 0.000) 9.815 8.926 ( -5.766 -7.513 0.000) 9.471 9.081 ( 0.670 4.091 0.000) 4.146 9.103 ( -0.164 2.354 0.000) 2.360 9.390 ( -1.213 -0.716 0.000) 1.408 9.407 ( -3.741 2.884 0.000) 4.723 9.632 ( 3.686 3.331 0.000) 4.969 9.632 ( 5.350 -2.520 0.000) 5.914 9.746 ( -2.373 0.816 0.000) 2.509 9.779 ( -7.622 1.284 0.000) 7.729 10.441 ( -0.701 2.519 0.000) 2.614 10.494 ( -5.976 -2.931 0.000) 6.656 10.764 ( 4.312 -3.628 0.000) 5.635 10.854 ( -5.187 -0.532 0.000) 5.214 11.161 ( 8.897 -6.353 0.000) 10.932 11.313 ( -7.781 -4.364 0.000) 8.922 11.857 ( 0.969 -2.330 0.000) 2.524 11.860 ( 0.673 -2.762 0.000) 2.843 13.429 ( 11.078 14.667 0.000) 18.381 13.649 ( -12.340 9.006 0.000) 15.277 14.000 ( 1.822 6.696 0.000) 6.940 14.018 ( 0.689 2.609 0.000) 2.698 14.024 ( 3.989 2.223 0.000) 4.567 14.060 ( -1.524 4.782 0.000) 5.019 14.224 ( 0.301 9.862 0.000) 9.866 14.259 ( -2.809 8.466 0.000) 8.919 16.042 ( 0.769 11.839 0.000) 11.864 16.061 ( -1.300 12.174 0.000) 12.243 16.232 ( 0.380 -4.102 0.000) 4.119 16.244 ( -0.961 -4.138 0.000) 4.248 16.801 ( 3.497 -13.200 0.000) 13.655 16.868 ( -3.800 -14.065 0.000) 14.570 17.120 ( 2.612 -10.513 0.000) 10.832 17.179 ( -3.706 -9.153 0.000) 9.875 19.139 ( 8.085 -12.598 0.000) 14.969 19.285 ( 7.364 -13.805 0.000) 15.646 19.291 ( -8.334 -14.517 0.000) 16.739 19.424 ( -7.606 -15.721 0.000) 17.464 22.528 ( 0.966 18.145 0.000) 18.171 22.544 ( -0.659 18.560 0.000) 18.571 22.611 ( 2.744 16.101 0.000) 16.333 22.648 ( -1.229 15.528 0.000) 15.577 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.000 15.544 0.000) 15.544 2.638 ( 0.000 7.293 0.000) 7.293 2.663 ( 0.000 3.739 0.000) 3.739 2.716 ( 0.000 4.228 0.000) 4.228 2.784 ( 0.000 7.987 0.000) 7.987 2.817 ( 0.000 3.572 0.000) 3.572 2.877 ( 0.000 22.800 0.000) 22.800 2.924 ( 0.000 12.486 0.000) 12.486 3.117 ( 0.000 5.029 0.000) 5.029 3.155 ( 0.000 4.927 0.000) 4.927 3.239 ( 0.000 8.104 0.000) 8.104 3.334 ( 0.000 5.468 0.000) 5.468 3.356 ( 0.000 6.406 0.000) 6.406 3.448 ( 0.000 -2.943 0.000) 2.943 3.448 ( 0.000 5.381 0.000) 5.381 3.611 ( 0.000 4.272 0.000) 4.272 3.624 ( 0.000 -4.394 0.000) 4.394 3.775 ( 0.000 -3.838 0.000) 3.838 4.010 ( 0.000 2.031 0.000) 2.031 4.209 ( 0.000 2.329 0.000) 2.329 4.292 ( 0.000 0.528 0.000) 0.528 4.326 ( 0.000 -3.681 0.000) 3.681 4.606 ( 0.000 -1.534 0.000) 1.534 4.702 ( 0.000 -9.733 0.000) 9.733 4.916 ( 0.000 6.277 0.000) 6.277 5.106 ( 0.000 11.123 0.000) 11.123 5.177 ( 0.000 7.866 0.000) 7.866 5.319 ( 0.000 3.444 0.000) 3.444 5.439 ( 0.000 7.514 0.000) 7.514 5.510 ( 0.000 9.054 0.000) 9.054 5.522 ( 0.000 9.906 0.000) 9.906 5.541 ( 0.000 6.699 0.000) 6.699 5.562 ( 0.000 3.930 0.000) 3.930 5.648 ( 0.000 15.122 0.000) 15.122 5.761 ( 0.000 3.161 0.000) 3.161 5.887 ( 0.000 8.114 0.000) 8.114 6.067 ( 0.000 13.307 0.000) 13.307 6.137 ( 0.000 15.019 0.000) 15.019 6.138 ( 0.000 11.974 0.000) 11.974 6.386 ( 0.000 4.242 0.000) 4.242 7.118 ( 0.000 8.519 0.000) 8.519 7.287 ( 0.000 -5.180 0.000) 5.180 7.326 ( 0.000 -4.881 0.000) 4.881 7.378 ( 0.000 -12.324 0.000) 12.324 7.457 ( 0.000 -13.638 0.000) 13.638 7.553 ( 0.000 11.125 0.000) 11.125 7.564 ( 0.000 -23.934 0.000) 23.934 7.626 ( 0.000 -25.943 0.000) 25.943 7.780 ( 0.000 -13.018 0.000) 13.018 7.946 ( 0.000 -4.959 0.000) 4.959 7.987 ( 0.000 3.074 0.000) 3.074 8.028 ( 0.000 -0.622 0.000) 0.622 8.177 ( 0.000 8.368 0.000) 8.368 8.352 ( 0.000 8.019 0.000) 8.019 8.604 ( 0.000 1.368 0.000) 1.368 8.732 ( 0.000 -14.827 0.000) 14.827 9.125 ( 0.000 0.549 0.000) 0.549 9.270 ( 0.000 4.749 0.000) 4.749 9.275 ( 0.000 -2.748 0.000) 2.748 9.463 ( 0.000 -2.199 0.000) 2.199 9.508 ( 0.000 -0.471 0.000) 0.471 9.749 ( 0.000 0.755 0.000) 0.755 9.796 ( 0.000 3.135 0.000) 3.135 9.881 ( 0.000 -9.538 0.000) 9.538 10.565 ( 0.000 -8.392 0.000) 8.392 10.568 ( 0.000 -4.052 0.000) 4.052 10.688 ( 0.000 -5.264 0.000) 5.264 10.887 ( 0.000 14.856 0.000) 14.856 10.960 ( 0.000 -3.902 0.000) 3.902 11.445 ( 0.000 -0.170 0.000) 0.170 11.686 ( 0.000 -9.280 0.000) 9.280 11.721 ( 0.000 -5.491 0.000) 5.491 13.548 ( 0.000 14.921 0.000) 14.921 13.881 ( 0.000 0.625 0.000) 0.625 13.979 ( 0.000 -0.213 0.000) 0.213 14.003 ( 0.000 1.350 0.000) 1.350 14.102 ( 0.000 8.559 0.000) 8.559 14.302 ( 0.000 3.284 0.000) 3.284 14.356 ( 0.000 3.519 0.000) 3.519 14.375 ( 0.000 6.001 0.000) 6.001 16.221 ( 0.000 2.409 0.000) 2.409 16.222 ( 0.000 0.132 0.000) 0.132 16.274 ( 0.000 12.808 0.000) 12.808 16.358 ( 0.000 13.532 0.000) 13.532 16.513 ( 0.000 -8.929 0.000) 8.929 16.675 ( 0.000 -13.588 0.000) 13.588 16.859 ( 0.000 -9.870 0.000) 9.870 17.089 ( 0.000 -9.966 0.000) 9.966 18.793 ( 0.000 -6.869 0.000) 6.869 18.903 ( 0.000 -10.452 0.000) 10.452 19.137 ( 0.000 -15.348 0.000) 15.348 19.222 ( 0.000 -17.415 0.000) 17.415 22.830 ( 0.000 12.581 0.000) 12.581 22.831 ( 0.000 12.953 0.000) 12.953 22.885 ( 0.000 13.348 0.000) 13.348 22.923 ( 0.000 10.979 0.000) 10.979 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -4.152 6.827 0.000) 7.990 2.634 ( -0.184 7.995 0.000) 7.997 2.639 ( 0.847 14.652 0.000) 14.677 2.706 ( -2.086 6.934 0.000) 7.242 2.791 ( -2.658 8.566 0.000) 8.969 2.826 ( 2.991 10.658 0.000) 11.069 2.831 ( -2.002 20.796 0.000) 20.893 2.925 ( -2.427 14.925 0.000) 15.121 3.146 ( 4.003 2.463 0.000) 4.700 3.257 ( 1.380 6.661 0.000) 6.802 3.261 ( 5.152 3.180 0.000) 6.054 3.355 ( 3.389 -1.331 0.000) 3.641 3.411 ( 7.781 5.535 0.000) 9.549 3.428 ( -1.689 -1.588 0.000) 2.318 3.449 ( -0.021 3.476 0.000) 3.476 3.605 ( -0.491 3.815 0.000) 3.847 3.630 ( 1.277 -3.865 0.000) 4.070 3.748 ( -2.525 -2.950 0.000) 3.883 3.905 ( -8.342 6.763 0.000) 10.739 4.191 ( -3.051 -2.640 0.000) 4.035 4.320 ( 2.779 -0.242 0.000) 2.789 4.395 ( 4.224 -5.540 0.000) 6.967 4.559 ( -3.985 -6.165 0.000) 7.341 4.694 ( -1.544 -8.646 0.000) 8.783 4.949 ( 4.669 14.042 0.000) 14.797 5.086 ( -1.389 9.825 0.000) 9.922 5.230 ( 4.121 6.339 0.000) 7.561 5.272 ( -3.483 8.529 0.000) 9.213 5.406 ( -5.998 10.495 0.000) 12.088 5.470 ( 0.456 7.584 0.000) 7.598 5.545 ( 2.878 3.815 0.000) 4.779 5.557 ( -2.521 11.415 0.000) 11.690 5.582 ( 2.163 6.868 0.000) 7.201 5.646 ( 0.621 10.152 0.000) 10.171 5.732 ( -2.757 2.237 0.000) 3.551 5.850 ( -3.657 7.585 0.000) 8.421 6.110 ( 4.101 12.235 0.000) 12.904 6.159 ( 2.006 14.078 0.000) 14.221 6.174 ( 3.483 12.045 0.000) 12.539 6.374 ( -1.447 5.853 0.000) 6.029 7.089 ( -2.321 7.885 0.000) 8.219 7.216 ( -5.289 -0.860 0.000) 5.358 7.382 ( 0.418 -13.338 0.000) 13.345 7.383 ( 3.686 -6.013 0.000) 7.053 7.422 ( -2.621 -13.915 0.000) 14.159 7.542 ( -0.835 -0.295 0.000) 0.885 7.558 ( -0.666 -23.415 0.000) 23.424 7.611 ( -3.165 -9.673 0.000) 10.177 7.724 ( -1.355 -16.277 0.000) 16.333 7.916 ( -3.282 -5.669 0.000) 6.551 8.049 ( 2.202 -1.006 0.000) 2.421 8.088 ( 6.486 -0.518 0.000) 6.507 8.263 ( 8.866 9.285 0.000) 12.839 8.421 ( 6.666 7.037 0.000) 9.694 8.642 ( 3.547 0.892 0.000) 3.657 8.754 ( 2.279 -12.310 0.000) 12.519 9.117 ( -0.533 0.726 0.000) 0.900 9.204 ( -4.133 2.791 0.000) 4.987 9.317 ( 2.097 -1.514 0.000) 2.586 9.489 ( 2.384 -1.065 0.000) 2.610 9.526 ( 2.141 -0.598 0.000) 2.223 9.672 ( -5.818 1.114 0.000) 5.924 9.810 ( -1.223 0.591 0.000) 1.359 9.838 ( -4.567 -8.650 0.000) 9.781 10.503 ( -5.201 -6.108 0.000) 8.022 10.586 ( -7.748 0.440 0.000) 7.760 10.596 ( 2.804 -5.048 0.000) 5.774 10.909 ( -5.107 -4.577 0.000) 6.858 10.994 ( 8.411 8.787 0.000) 12.164 11.401 ( -4.603 0.611 0.000) 4.643 11.712 ( 2.454 -8.853 0.000) 9.186 11.743 ( 1.878 -5.889 0.000) 6.181 13.581 ( 3.605 13.732 0.000) 14.198 13.866 ( -2.314 1.920 0.000) 3.007 13.978 ( 0.467 -0.860 0.000) 0.978 14.013 ( 0.882 0.398 0.000) 0.968 14.118 ( 1.651 8.314 0.000) 8.476 14.265 ( -3.168 5.751 0.000) 6.565 14.357 ( 0.220 3.835 0.000) 3.841 14.387 ( 0.579 4.333 0.000) 4.372 16.214 ( -0.645 2.556 0.000) 2.636 16.217 ( -0.509 0.585 0.000) 0.776 16.283 ( 0.927 12.644 0.000) 12.678 16.351 ( -0.818 13.459 0.000) 13.484 16.529 ( 1.611 -9.370 0.000) 9.507 16.654 ( -2.096 -13.045 0.000) 13.212 16.876 ( 1.887 -9.590 0.000) 9.774 17.064 ( -2.731 -9.691 0.000) 10.069 18.825 ( 3.441 -7.733 0.000) 8.464 18.933 ( 3.217 -11.117 0.000) 11.573 19.103 ( -3.670 -14.533 0.000) 14.989 19.191 ( -3.333 -16.728 0.000) 17.056 22.826 ( 0.379 12.961 0.000) 12.967 22.856 ( 1.851 12.205 0.000) 12.345 22.877 ( -0.749 13.207 0.000) 13.228 22.924 ( -0.034 10.970 0.000) 10.970 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 1.502 12.671 0.000) 12.759 2.607 ( -3.751 13.387 0.000) 13.903 2.675 ( 2.872 14.200 0.000) 14.488 2.679 ( 0.914 9.066 0.000) 9.112 2.734 ( -2.916 9.112 0.000) 9.567 2.766 ( -5.183 17.085 0.000) 17.854 2.883 ( 2.778 14.346 0.000) 14.613 2.905 ( 0.214 13.434 0.000) 13.436 3.211 ( 1.716 3.634 0.000) 4.019 3.244 ( -2.684 3.316 0.000) 4.267 3.297 ( 3.869 1.547 0.000) 4.167 3.372 ( -3.533 0.123 0.000) 3.535 3.453 ( 2.414 1.275 0.000) 2.730 3.455 ( 0.894 0.510 0.000) 1.029 3.574 ( 5.715 -0.751 0.000) 5.764 3.600 ( -0.001 0.920 0.000) 0.920 3.668 ( 1.301 -2.204 0.000) 2.559 3.762 ( -7.367 8.544 0.000) 11.281 3.794 ( 12.675 -3.123 0.000) 13.054 4.056 ( -12.553 -6.976 0.000) 14.361 4.369 ( 1.992 -2.158 0.000) 2.937 4.395 ( -1.738 -5.746 0.000) 6.003 4.564 ( 3.544 -6.467 0.000) 7.374 4.637 ( -4.215 -6.793 0.000) 7.995 5.052 ( 4.641 14.213 0.000) 14.952 5.079 ( 0.353 7.874 0.000) 7.881 5.229 ( 0.067 9.724 0.000) 9.724 5.290 ( -5.868 13.523 0.000) 14.741 5.312 ( 5.245 11.785 0.000) 12.899 5.427 ( -6.428 13.844 0.000) 15.263 5.544 ( 2.759 5.581 0.000) 6.225 5.597 ( -0.920 2.571 0.000) 2.731 5.608 ( 2.573 8.045 0.000) 8.446 5.648 ( -0.936 6.283 0.000) 6.352 5.705 ( 1.454 2.370 0.000) 2.781 5.771 ( -4.689 5.688 0.000) 7.372 6.177 ( 2.429 10.854 0.000) 11.123 6.190 ( 0.876 11.983 0.000) 12.015 6.251 ( 4.838 11.840 0.000) 12.790 6.330 ( -3.519 9.252 0.000) 9.898 7.068 ( 0.670 6.372 0.000) 6.408 7.120 ( -4.733 3.827 0.000) 6.086 7.388 ( 0.132 -15.236 0.000) 15.237 7.391 ( -0.597 -15.997 0.000) 16.008 7.450 ( 3.691 -3.060 0.000) 4.794 7.524 ( -4.082 0.926 0.000) 4.186 7.536 ( -0.754 -17.650 0.000) 17.666 7.543 ( -0.839 -21.466 0.000) 21.482 7.757 ( 3.729 -11.271 0.000) 11.872 7.838 ( -4.877 -6.949 0.000) 8.489 8.101 ( 3.232 -1.724 0.000) 3.663 8.142 ( -0.438 -2.174 0.000) 2.217 8.445 ( 9.171 9.524 0.000) 13.222 8.522 ( 1.890 7.445 0.000) 7.681 8.709 ( 4.002 -1.792 0.000) 4.384 8.774 ( -1.590 -7.060 0.000) 7.237 9.122 ( 1.174 0.323 0.000) 1.218 9.148 ( -1.768 1.975 0.000) 2.651 9.371 ( 4.674 0.011 0.000) 4.674 9.479 ( -5.480 4.310 0.000) 6.972 9.595 ( 5.816 -1.950 0.000) 6.135 9.629 ( 3.334 -4.771 0.000) 5.820 9.727 ( -7.426 -2.692 0.000) 7.899 9.732 ( -6.626 -6.766 0.000) 9.469 10.434 ( -1.279 -1.988 0.000) 2.364 10.467 ( -4.707 1.219 0.000) 4.862 10.674 ( 5.781 -5.186 0.000) 7.767 10.794 ( -7.074 -4.992 0.000) 8.657 11.149 ( 8.396 4.992 0.000) 9.768 11.291 ( -7.219 2.487 0.000) 7.635 11.755 ( 1.849 -7.895 0.000) 8.108 11.768 ( 0.511 -6.802 0.000) 6.821 13.672 ( 6.164 10.328 0.000) 12.028 13.787 ( -6.029 5.708 0.000) 8.302 14.002 ( 1.673 -1.735 0.000) 2.410 14.022 ( -0.281 -1.282 0.000) 1.312 14.157 ( 2.557 7.906 0.000) 8.309 14.207 ( -3.055 7.436 0.000) 8.039 14.367 ( 0.914 4.182 0.000) 4.280 14.385 ( -0.784 3.916 0.000) 3.994 16.205 ( -0.236 2.392 0.000) 2.404 16.207 ( -0.449 1.605 0.000) 1.667 16.305 ( 1.398 12.737 0.000) 12.814 16.330 ( -1.346 13.145 0.000) 13.214 16.566 ( 2.303 -10.527 0.000) 10.776 16.610 ( -2.589 -11.871 0.000) 12.150 16.926 ( 3.624 -9.137 0.000) 9.830 16.999 ( -4.148 -9.194 0.000) 10.087 18.909 ( 5.601 -9.886 0.000) 11.362 19.012 ( 5.219 -12.834 0.000) 13.854 19.015 ( -5.745 -12.448 0.000) 13.710 19.110 ( -5.296 -14.963 0.000) 15.873 22.840 ( 1.050 12.971 0.000) 13.013 22.860 ( -1.075 13.034 0.000) 13.079 22.891 ( 1.843 11.482 0.000) 11.629 22.917 ( -0.931 11.032 0.000) 11.071 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 0.000 1.312 0.000) 1.312 2.731 ( 0.000 -3.159 0.000) 3.159 2.732 ( 0.000 2.642 0.000) 2.642 2.756 ( 0.000 0.190 0.000) 0.190 2.891 ( 0.000 10.259 0.000) 10.259 2.985 ( 0.000 2.168 0.000) 2.168 3.078 ( 0.000 3.731 0.000) 3.731 3.096 ( 0.000 2.063 0.000) 2.063 3.268 ( 0.000 5.760 0.000) 5.760 3.345 ( 0.000 -2.385 0.000) 2.385 3.376 ( 0.000 16.616 0.000) 16.616 3.416 ( 0.000 8.139 0.000) 8.139 3.439 ( 0.000 2.725 0.000) 2.725 3.478 ( 0.000 2.815 0.000) 2.815 3.518 ( 0.000 1.101 0.000) 1.101 3.542 ( 0.000 -1.123 0.000) 1.123 3.629 ( 0.000 -4.593 0.000) 4.593 3.657 ( 0.000 -7.572 0.000) 7.572 4.029 ( 0.000 1.587 0.000) 1.587 4.110 ( 0.000 -6.435 0.000) 6.435 4.360 ( 0.000 2.345 0.000) 2.345 4.369 ( 0.000 6.516 0.000) 6.516 4.446 ( 0.000 -7.925 0.000) 7.925 4.519 ( 0.000 -8.474 0.000) 8.474 5.098 ( 0.000 7.261 0.000) 7.261 5.182 ( 0.000 -2.493 0.000) 2.493 5.337 ( 0.000 11.068 0.000) 11.068 5.424 ( 0.000 7.112 0.000) 7.112 5.485 ( 0.000 -2.844 0.000) 2.844 5.552 ( 0.000 -4.049 0.000) 4.049 5.625 ( 0.000 1.874 0.000) 1.874 5.629 ( 0.000 1.660 0.000) 1.660 5.727 ( 0.000 7.811 0.000) 7.811 5.804 ( 0.000 0.025 0.000) 0.025 5.880 ( 0.000 8.294 0.000) 8.294 5.964 ( 0.000 -0.141 0.000) 0.141 6.294 ( 0.000 8.886 0.000) 8.886 6.341 ( 0.000 5.742 0.000) 5.742 6.372 ( 0.000 8.237 0.000) 8.237 6.446 ( 0.000 0.562 0.000) 0.562 7.094 ( 0.000 -11.050 0.000) 11.050 7.098 ( 0.000 -9.187 0.000) 9.187 7.188 ( 0.000 -4.835 0.000) 4.835 7.238 ( 0.000 -10.228 0.000) 10.228 7.310 ( 0.000 9.381 0.000) 9.381 7.354 ( 0.000 -0.721 0.000) 0.721 7.358 ( 0.000 -1.347 0.000) 1.347 7.524 ( 0.000 -11.541 0.000) 11.541 7.840 ( 0.000 13.625 0.000) 13.625 7.929 ( 0.000 1.891 0.000) 1.891 7.986 ( 0.000 -3.194 0.000) 3.194 8.018 ( 0.000 -2.671 0.000) 2.671 8.322 ( 0.000 6.094 0.000) 6.094 8.467 ( 0.000 -10.638 0.000) 10.638 8.513 ( 0.000 7.456 0.000) 7.456 8.612 ( 0.000 -1.945 0.000) 1.945 9.186 ( 0.000 6.325 0.000) 6.325 9.280 ( 0.000 3.300 0.000) 3.300 9.328 ( 0.000 0.509 0.000) 0.509 9.350 ( 0.000 -8.599 0.000) 8.599 9.512 ( 0.000 1.652 0.000) 1.652 9.641 ( 0.000 -11.960 0.000) 11.960 9.778 ( 0.000 2.041 0.000) 2.041 9.814 ( 0.000 -1.003 0.000) 1.003 10.459 ( 0.000 -1.590 0.000) 1.590 10.488 ( 0.000 -3.577 0.000) 3.577 10.698 ( 0.000 4.985 0.000) 4.985 10.832 ( 0.000 -7.585 0.000) 7.585 11.187 ( 0.000 14.823 0.000) 14.823 11.464 ( 0.000 -13.021 0.000) 13.021 11.487 ( 0.000 4.371 0.000) 4.371 11.600 ( 0.000 -6.487 0.000) 6.487 13.799 ( 0.000 10.546 0.000) 10.546 13.912 ( 0.000 2.148 0.000) 2.148 13.954 ( 0.000 -1.942 0.000) 1.942 13.958 ( 0.000 -5.476 0.000) 5.476 14.265 ( 0.000 7.302 0.000) 7.302 14.366 ( 0.000 -2.551 0.000) 2.551 14.380 ( 0.000 3.845 0.000) 3.845 14.427 ( 0.000 -0.358 0.000) 0.358 16.276 ( 0.000 5.378 0.000) 5.378 16.290 ( 0.000 3.913 0.000) 3.913 16.375 ( 0.000 -5.162 0.000) 5.162 16.430 ( 0.000 -9.880 0.000) 9.880 16.511 ( 0.000 10.501 0.000) 10.501 16.631 ( 0.000 12.826 0.000) 12.826 16.688 ( 0.000 -8.045 0.000) 8.045 16.876 ( 0.000 -11.723 0.000) 11.723 18.710 ( 0.000 -1.320 0.000) 1.320 18.747 ( 0.000 -5.089 0.000) 5.089 18.922 ( 0.000 -5.315 0.000) 5.315 18.954 ( 0.000 -8.501 0.000) 8.501 23.002 ( 0.000 4.605 0.000) 4.605 23.004 ( 0.000 4.440 0.000) 4.440 23.064 ( 0.000 4.737 0.000) 4.737 23.072 ( 0.000 3.810 0.000) 3.810 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 2.382 6.067 0.000) 6.518 2.743 ( 1.160 3.187 0.000) 3.392 2.768 ( 1.123 0.558 0.000) 1.254 2.799 ( 3.757 -3.254 0.000) 4.970 2.900 ( 1.387 9.382 0.000) 9.484 2.995 ( 2.303 1.538 0.000) 2.769 3.077 ( 1.055 6.137 0.000) 6.227 3.145 ( 4.070 -0.772 0.000) 4.142 3.297 ( -7.508 17.111 0.000) 18.686 3.300 ( 3.440 2.759 0.000) 4.410 3.325 ( -2.400 -0.472 0.000) 2.446 3.417 ( -1.007 8.590 0.000) 8.649 3.423 ( -2.290 1.536 0.000) 2.757 3.475 ( -4.021 -1.392 0.000) 4.255 3.525 ( 1.517 -6.249 0.000) 6.430 3.548 ( 3.965 6.342 0.000) 7.480 3.601 ( -3.180 -6.235 0.000) 6.999 3.667 ( 2.423 -5.069 0.000) 5.619 4.001 ( -3.402 3.909 0.000) 5.182 4.093 ( -3.879 -5.550 0.000) 6.771 4.327 ( -1.987 -0.401 0.000) 2.027 4.376 ( 0.496 5.532 0.000) 5.554 4.403 ( -2.228 -7.245 0.000) 7.580 4.517 ( -0.672 -8.420 0.000) 8.447 5.182 ( 7.188 7.743 0.000) 10.565 5.247 ( 6.177 -0.084 0.000) 6.178 5.306 ( -2.580 11.356 0.000) 11.646 5.446 ( 2.648 6.706 0.000) 7.210 5.484 ( -0.359 -5.325 0.000) 5.337 5.558 ( 0.484 -3.463 0.000) 3.497 5.577 ( -2.337 6.983 0.000) 7.364 5.663 ( 0.754 -0.624 0.000) 0.979 5.706 ( -1.350 5.358 0.000) 5.525 5.766 ( -3.482 0.061 0.000) 3.482 5.833 ( -4.822 7.874 0.000) 9.233 5.917 ( -4.736 -0.428 0.000) 4.756 6.324 ( 2.901 8.648 0.000) 9.121 6.374 ( 3.103 5.354 0.000) 6.189 6.387 ( 1.250 8.318 0.000) 8.411 6.459 ( 1.000 1.234 0.000) 1.588 7.092 ( 0.543 -7.901 0.000) 7.919 7.123 ( 1.960 -11.652 0.000) 11.816 7.174 ( -1.499 -4.386 0.000) 4.635 7.225 ( -1.262 -10.558 0.000) 10.633 7.278 ( -2.660 8.552 0.000) 8.956 7.315 ( -3.170 1.437 0.000) 3.480 7.363 ( -0.095 -2.975 0.000) 2.976 7.479 ( -4.130 -10.867 0.000) 11.625 7.835 ( -0.072 13.516 0.000) 13.516 7.910 ( -1.878 3.082 0.000) 3.609 7.992 ( 0.747 -4.324 0.000) 4.388 8.043 ( 1.335 -6.181 0.000) 6.324 8.427 ( 10.238 6.580 0.000) 12.170 8.548 ( 7.964 -7.636 0.000) 11.033 8.561 ( 4.694 6.598 0.000) 8.097 8.651 ( 3.704 -1.705 0.000) 4.078 9.187 ( 0.122 7.393 0.000) 7.394 9.252 ( -2.713 4.026 0.000) 4.855 9.321 ( -0.232 -0.629 0.000) 0.670 9.377 ( 2.745 -9.644 0.000) 10.027 9.519 ( 0.886 0.631 0.000) 1.088 9.619 ( -2.285 -10.541 0.000) 10.786 9.714 ( -6.359 3.183 0.000) 7.111 9.781 ( -4.534 -3.076 0.000) 5.479 10.442 ( -1.022 0.547 0.000) 1.159 10.501 ( 1.740 -4.515 0.000) 4.839 10.642 ( -5.419 5.640 0.000) 7.821 10.781 ( -5.184 -7.645 0.000) 9.237 11.232 ( 4.408 13.666 0.000) 14.359 11.466 ( -2.313 5.754 0.000) 6.201 11.497 ( 3.189 -12.663 0.000) 13.058 11.605 ( 0.287 -7.682 0.000) 7.688 13.812 ( 1.378 9.758 0.000) 9.855 13.909 ( -0.574 2.278 0.000) 2.350 13.951 ( -0.115 -1.827 0.000) 1.831 13.962 ( 0.294 -5.341 0.000) 5.350 14.275 ( 1.082 7.018 0.000) 7.101 14.367 ( -1.318 4.423 0.000) 4.615 14.371 ( 0.602 -2.364 0.000) 2.439 14.423 ( -0.506 -0.798 0.000) 0.945 16.274 ( -0.175 5.284 0.000) 5.287 16.284 ( -0.565 4.199 0.000) 4.237 16.379 ( 0.459 -5.848 0.000) 5.866 16.422 ( -0.784 -9.478 0.000) 9.511 16.522 ( 1.263 10.821 0.000) 10.894 16.620 ( -1.232 12.717 0.000) 12.776 16.706 ( 1.924 -8.243 0.000) 8.465 16.858 ( -1.922 -11.285 0.000) 11.447 18.729 ( 2.046 -1.690 0.000) 2.653 18.766 ( 2.054 -5.443 0.000) 5.817 18.900 ( -2.303 -4.911 0.000) 5.424 18.934 ( -2.213 -8.199 0.000) 8.492 23.006 ( 0.619 5.007 0.000) 5.045 23.017 ( 1.138 3.920 0.000) 4.082 23.057 ( -0.659 4.959 0.000) 5.003 23.071 ( -0.243 3.563 0.000) 3.571 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 2.722 7.402 0.000) 7.887 2.768 ( 1.001 4.189 0.000) 4.307 2.789 ( 1.266 2.084 0.000) 2.438 2.816 ( -1.133 1.261 0.000) 1.695 2.957 ( 6.081 11.953 0.000) 13.411 3.089 ( 5.988 3.104 0.000) 6.745 3.100 ( -3.072 9.241 0.000) 9.738 3.139 ( -5.304 14.677 0.000) 15.606 3.223 ( 3.653 -1.373 0.000) 3.903 3.268 ( -2.987 0.833 0.000) 3.101 3.352 ( -4.188 2.372 0.000) 4.813 3.352 ( -1.829 -4.330 0.000) 4.701 3.405 ( 4.551 -0.477 0.000) 4.576 3.445 ( 0.672 -1.693 0.000) 1.822 3.483 ( -2.994 -5.367 0.000) 6.145 3.516 ( -5.938 -8.814 0.000) 10.628 3.705 ( 10.369 4.113 0.000) 11.155 3.769 ( 8.504 -1.613 0.000) 8.655 3.888 ( -8.985 4.327 0.000) 9.972 3.949 ( -10.501 -2.939 0.000) 10.905 4.334 ( 2.403 0.349 0.000) 2.428 4.373 ( -1.213 2.891 0.000) 3.135 4.417 ( 3.095 -7.276 0.000) 7.907 4.481 ( -3.259 -7.632 0.000) 8.299 5.260 ( 1.349 9.491 0.000) 9.587 5.272 ( -0.899 11.271 0.000) 11.307 5.387 ( 7.506 1.279 0.000) 7.614 5.466 ( -1.867 -4.560 0.000) 4.928 5.521 ( 5.437 6.950 0.000) 8.825 5.550 ( -0.510 6.272 0.000) 6.292 5.558 ( -0.452 -0.924 0.000) 1.028 5.634 ( -4.801 2.937 0.000) 5.628 5.716 ( -0.875 1.009 0.000) 1.336 5.720 ( 3.186 -0.386 0.000) 3.209 5.740 ( -3.864 4.153 0.000) 5.672 5.814 ( -6.188 -1.192 0.000) 6.302 6.377 ( 2.392 8.355 0.000) 8.690 6.400 ( -0.122 8.364 0.000) 8.365 6.433 ( 2.931 4.251 0.000) 5.164 6.466 ( -0.588 2.660 0.000) 2.724 7.112 ( 1.486 -5.540 0.000) 5.735 7.142 ( -1.818 -3.733 0.000) 4.152 7.161 ( 2.065 -11.941 0.000) 12.118 7.196 ( -1.846 -11.360 0.000) 11.509 7.244 ( -0.635 6.174 0.000) 6.207 7.260 ( -2.334 4.102 0.000) 4.720 7.367 ( 0.973 -5.554 0.000) 5.639 7.406 ( -3.375 -8.640 0.000) 9.275 7.844 ( 1.081 10.758 0.000) 10.812 7.872 ( -2.001 6.524 0.000) 6.824 8.015 ( 1.687 -6.695 0.000) 6.904 8.043 ( -1.139 -8.170 0.000) 8.249 8.614 ( 8.038 5.876 0.000) 9.957 8.647 ( 3.519 4.755 0.000) 5.915 8.680 ( 4.524 -2.621 0.000) 5.228 8.707 ( 1.265 -0.587 0.000) 1.395 9.189 ( 0.135 8.440 0.000) 8.441 9.205 ( -1.959 6.025 0.000) 6.335 9.359 ( 5.339 -4.914 0.000) 7.256 9.429 ( 1.605 -13.490 0.000) 13.585 9.541 ( 0.155 -2.334 0.000) 2.340 9.573 ( -7.619 4.730 0.000) 8.967 9.577 ( -0.067 -5.229 0.000) 5.229 9.661 ( -7.276 -3.978 0.000) 8.292 10.453 ( 2.672 3.892 0.000) 4.721 10.534 ( -5.814 5.650 0.000) 8.108 10.560 ( 4.846 -6.161 0.000) 7.839 10.668 ( -6.709 -7.279 0.000) 9.899 11.322 ( 5.129 11.458 0.000) 12.553 11.407 ( -4.085 8.670 0.000) 9.584 11.558 ( 3.120 -11.664 0.000) 12.074 11.598 ( -1.221 -9.910 0.000) 9.985 13.845 ( 2.174 7.440 0.000) 7.751 13.885 ( -2.007 4.304 0.000) 4.749 13.956 ( 0.587 -2.955 0.000) 3.013 13.964 ( -0.162 -4.560 0.000) 4.563 14.302 ( 1.823 6.335 0.000) 6.592 14.337 ( -1.936 5.443 0.000) 5.777 14.387 ( 1.115 -1.966 0.000) 2.260 14.408 ( -1.079 -1.474 0.000) 1.827 16.272 ( -0.040 5.053 0.000) 5.053 16.275 ( -0.374 4.693 0.000) 4.708 16.390 ( 0.711 -7.191 0.000) 7.226 16.405 ( -0.952 -8.475 0.000) 8.529 16.553 ( 2.000 11.545 0.000) 11.717 16.590 ( -1.978 12.281 0.000) 12.439 16.753 ( 3.121 -8.982 0.000) 9.509 16.811 ( -3.122 -10.181 0.000) 10.649 18.780 ( 3.420 -2.661 0.000) 4.333 18.816 ( 3.387 -6.337 0.000) 7.185 18.845 ( -3.579 -3.885 0.000) 5.282 18.880 ( -3.486 -7.386 0.000) 8.167 23.022 ( 1.092 5.243 0.000) 5.355 23.040 ( 1.319 3.445 0.000) 3.689 23.042 ( -1.019 5.213 0.000) 5.312 23.061 ( -0.865 3.318 0.000) 3.429 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 0.000 24.465) 24.465 0.661 ( 0.000 0.000 30.204) 30.204 1.030 ( 0.000 0.000 43.576) 43.576 1.409 ( 0.000 0.000 -11.247) 11.247 1.722 ( 0.000 0.000 0.737) 0.737 1.754 ( 0.000 0.000 -19.828) 19.828 1.947 ( 0.000 0.000 6.490) 6.490 2.191 ( 0.000 0.000 4.428) 4.428 2.332 ( 0.000 0.000 2.344) 2.344 2.450 ( 0.000 0.000 -1.775) 1.775 2.593 ( 0.000 0.000 -9.848) 9.848 2.927 ( 0.000 0.000 2.876) 2.876 2.928 ( 0.000 0.000 -0.852) 0.852 2.999 ( 0.000 0.000 -1.784) 1.784 3.009 ( 0.000 0.000 8.197) 8.197 3.056 ( 0.000 0.000 4.985) 4.985 3.086 ( 0.000 0.000 -23.321) 23.321 3.126 ( 0.000 0.000 3.015) 3.015 3.156 ( 0.000 0.000 -0.106) 0.106 3.193 ( 0.000 0.000 3.861) 3.861 3.414 ( 0.000 0.000 -5.349) 5.349 3.473 ( 0.000 0.000 -6.594) 6.594 3.770 ( 0.000 0.000 4.377) 4.377 3.906 ( 0.000 0.000 -1.709) 1.709 3.953 ( 0.000 0.000 4.065) 4.065 4.012 ( 0.000 0.000 10.348) 10.348 4.307 ( 0.000 0.000 7.960) 7.960 4.468 ( 0.000 0.000 2.598) 2.598 4.688 ( 0.000 0.000 -15.356) 15.356 4.704 ( 0.000 0.000 -10.312) 10.312 4.851 ( 0.000 0.000 -2.448) 2.448 4.871 ( 0.000 0.000 -6.659) 6.659 5.179 ( 0.000 0.000 5.597) 5.597 5.351 ( 0.000 0.000 0.055) 0.055 5.416 ( 0.000 0.000 7.034) 7.034 5.571 ( 0.000 0.000 -7.830) 7.830 6.021 ( 0.000 0.000 -3.399) 3.399 6.098 ( 0.000 0.000 1.146) 1.146 6.297 ( 0.000 0.000 5.527) 5.527 6.426 ( 0.000 0.000 4.009) 4.009 7.052 ( 0.000 0.000 0.349) 0.349 7.068 ( 0.000 0.000 -0.237) 0.237 7.200 ( 0.000 0.000 0.326) 0.326 7.342 ( 0.000 0.000 -7.595) 7.595 7.885 ( 0.000 0.000 0.590) 0.590 7.931 ( 0.000 0.000 -1.040) 1.040 7.939 ( 0.000 0.000 18.914) 18.914 8.216 ( 0.000 0.000 0.459) 0.459 8.255 ( 0.000 0.000 -0.666) 0.666 8.450 ( 0.000 0.000 2.981) 2.981 8.573 ( 0.000 0.000 -1.827) 1.827 8.585 ( 0.000 0.000 -8.791) 8.791 8.697 ( 0.000 0.000 -0.919) 0.919 8.751 ( 0.000 0.000 -2.886) 2.886 9.278 ( 0.000 0.000 7.029) 7.029 9.597 ( 0.000 0.000 4.096) 4.096 9.620 ( 0.000 0.000 0.484) 0.484 9.625 ( 0.000 0.000 -0.404) 0.404 9.662 ( 0.000 0.000 1.366) 1.366 9.749 ( 0.000 0.000 -11.443) 11.443 9.829 ( 0.000 0.000 -1.348) 1.348 9.860 ( 0.000 0.000 1.819) 1.819 9.910 ( 0.000 0.000 -8.256) 8.256 10.018 ( 0.000 0.000 -6.041) 6.041 10.232 ( 0.000 0.000 13.043) 13.043 10.543 ( 0.000 0.000 -0.040) 0.040 10.898 ( 0.000 0.000 6.274) 6.274 11.283 ( 0.000 0.000 11.298) 11.298 11.368 ( 0.000 0.000 10.078) 10.078 11.544 ( 0.000 0.000 -19.962) 19.962 11.751 ( 0.000 0.000 -7.057) 7.057 11.795 ( 0.000 0.000 -6.514) 6.514 12.045 ( 0.000 0.000 2.217) 2.217 12.293 ( 0.000 0.000 -8.426) 8.426 12.881 ( 0.000 0.000 6.129) 6.129 13.088 ( 0.000 0.000 -2.812) 2.812 13.677 ( 0.000 0.000 9.974) 9.974 13.819 ( 0.000 0.000 0.377) 0.377 13.943 ( 0.000 0.000 4.528) 4.528 14.268 ( 0.000 0.000 -5.324) 5.324 15.772 ( 0.000 0.000 18.403) 18.403 16.779 ( 0.000 0.000 -20.745) 20.745 17.517 ( 0.000 0.000 6.899) 6.899 17.589 ( 0.000 0.000 0.683) 0.683 17.592 ( 0.000 0.000 0.677) 0.677 17.625 ( 0.000 0.000 -0.666) 0.666 17.627 ( 0.000 0.000 -0.651) 0.651 17.717 ( 0.000 0.000 -2.393) 2.393 18.898 ( 0.000 0.000 0.872) 0.872 18.940 ( 0.000 0.000 -0.689) 0.689 19.546 ( 0.000 0.000 1.171) 1.171 19.638 ( 0.000 0.000 -2.152) 2.152 21.534 ( 0.000 0.000 1.391) 1.391 21.639 ( 0.000 0.000 -3.369) 3.369 21.874 ( 0.000 0.000 6.353) 6.353 22.139 ( 0.000 0.000 -4.347) 4.347 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 14.796 0.000 16.117) 21.879 0.842 ( 17.754 0.000 22.894) 28.971 1.304 ( 23.065 0.000 31.142) 38.753 1.435 ( 3.704 0.000 -14.347) 14.818 1.714 ( 0.720 0.000 4.852) 4.905 1.788 ( 2.217 0.000 -16.807) 16.952 1.832 ( -10.771 0.000 5.804) 12.235 2.041 ( -12.578 0.000 4.749) 13.445 2.305 ( -4.337 0.000 -2.125) 4.829 2.424 ( -5.525 0.000 -4.257) 6.975 2.500 ( -3.433 0.000 -1.126) 3.613 2.837 ( -5.340 0.000 1.875) 5.659 2.850 ( -10.374 0.000 3.622) 10.988 2.939 ( -5.411 0.000 1.196) 5.542 3.028 ( -4.452 0.000 -1.426) 4.675 3.056 ( 11.344 0.000 2.380) 11.591 3.181 ( 4.974 0.000 1.190) 5.114 3.260 ( 8.907 0.000 0.748) 8.938 3.287 ( 11.661 0.000 -11.599) 16.447 3.302 ( 7.596 0.000 0.702) 7.629 3.436 ( 1.993 0.000 -2.627) 3.297 3.479 ( 1.478 0.000 -5.868) 6.051 3.740 ( -3.178 0.000 4.319) 5.362 3.822 ( -6.664 0.000 -0.090) 6.665 3.871 ( -3.823 0.000 -1.625) 4.154 3.987 ( -11.230 0.000 6.354) 12.903 4.221 ( 0.505 0.000 1.900) 1.966 4.383 ( -6.723 0.000 1.515) 6.892 4.489 ( -11.049 0.000 -8.321) 13.832 4.763 ( -2.018 0.000 -6.939) 7.226 4.992 ( 7.228 0.000 -1.358) 7.355 5.047 ( 5.833 0.000 0.046) 5.833 5.156 ( 8.887 0.000 0.436) 8.898 5.339 ( 0.200 0.000 1.780) 1.791 5.403 ( 0.701 0.000 -1.131) 1.331 5.651 ( 4.537 0.000 -5.093) 6.821 6.056 ( -0.741 0.000 3.102) 3.190 6.088 ( 2.608 0.000 2.257) 3.449 6.332 ( 2.920 0.000 2.817) 4.057 6.390 ( -2.062 0.000 2.014) 2.882 7.054 ( 0.192 0.000 0.297) 0.354 7.067 ( -0.133 0.000 -0.177) 0.221 7.197 ( 2.214 0.000 0.940) 2.405 7.473 ( 4.941 0.000 -10.398) 11.512 7.894 ( 0.914 0.000 0.430) 1.010 7.931 ( 4.270 0.000 11.584) 12.346 7.934 ( 0.179 0.000 -1.027) 1.043 8.234 ( 2.105 0.000 0.614) 2.192 8.271 ( 1.721 0.000 -0.536) 1.802 8.429 ( -2.221 0.000 2.475) 3.326 8.521 ( -5.242 0.000 -1.085) 5.353 8.545 ( -9.570 0.000 -5.250) 10.916 8.665 ( 3.778 0.000 0.823) 3.866 8.789 ( -0.597 0.000 -9.442) 9.461 9.321 ( 4.307 0.000 6.301) 7.632 9.440 ( -9.556 0.000 0.164) 9.558 9.508 ( -10.001 0.000 -1.445) 10.105 9.570 ( -2.741 0.000 3.854) 4.729 9.766 ( 2.940 0.000 0.762) 3.037 9.770 ( 2.133 0.000 -10.664) 10.875 9.855 ( 2.782 0.000 0.235) 2.792 9.898 ( -1.336 0.000 -8.422) 8.528 9.987 ( 11.123 0.000 5.685) 12.492 10.193 ( 12.119 0.000 -8.442) 14.770 10.274 ( 6.230 0.000 7.145) 9.480 10.523 ( -2.914 0.000 -2.513) 3.848 10.870 ( -1.445 0.000 6.967) 7.115 11.291 ( 0.903 0.000 11.167) 11.203 11.360 ( -0.841 0.000 10.181) 10.216 11.445 ( -11.380 0.000 -13.847) 17.923 11.755 ( 0.453 0.000 -7.003) 7.017 11.791 ( -0.452 0.000 -6.563) 6.578 12.030 ( 0.362 0.000 4.942) 4.955 12.235 ( -4.161 0.000 -3.307) 5.315 12.864 ( -0.506 0.000 5.187) 5.212 13.047 ( -4.542 0.000 -1.500) 4.784 13.695 ( 1.814 0.000 6.714) 6.954 13.790 ( -1.869 0.000 0.291) 1.892 14.015 ( 6.992 0.000 3.680) 7.901 14.287 ( 0.509 0.000 -5.300) 5.324 15.789 ( 2.009 0.000 19.422) 19.526 16.398 ( -30.177 0.000 23.908) 38.500 17.318 ( -5.817 0.000 -1.420) 5.988 17.589 ( 0.028 0.000 0.682) 0.682 17.591 ( -0.031 0.000 0.677) 0.678 17.625 ( 0.026 0.000 -0.663) 0.664 17.627 ( -9.016 0.000 -4.185) 9.939 17.627 ( -0.022 0.000 -0.652) 0.652 18.769 ( 4.022 0.000 5.722) 6.994 19.085 ( 2.696 0.000 -8.388) 8.811 19.456 ( -8.627 0.000 1.760) 8.805 19.568 ( -7.066 0.000 -2.201) 7.400 21.582 ( 4.760 0.000 2.052) 5.183 21.745 ( 1.419 0.000 -2.970) 3.291 22.051 ( 13.220 0.000 -3.793) 13.753 22.253 ( 8.853 0.000 -10.677) 13.870 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 20.989 0.000 6.127) 21.865 1.220 ( 22.649 0.000 13.963) 26.607 1.364 ( -15.768 0.000 1.706) 15.860 1.526 ( 6.298 0.000 -7.343) 9.674 1.618 ( -20.048 0.000 6.303) 21.016 1.652 ( -7.949 0.000 -1.750) 8.140 2.002 ( 7.773 0.000 -11.621) 13.981 2.049 ( 31.634 0.000 16.212) 35.546 2.172 ( -9.524 0.000 -8.935) 13.059 2.373 ( 0.804 0.000 1.563) 1.758 2.414 ( -4.969 0.000 6.436) 8.131 2.689 ( -16.668 0.000 9.649) 19.260 2.796 ( 0.736 0.000 4.753) 4.810 2.846 ( -4.392 0.000 4.111) 6.016 2.905 ( -4.161 0.000 -5.451) 6.857 2.994 ( -14.072 0.000 0.589) 14.084 3.272 ( 4.616 0.000 -1.716) 4.924 3.333 ( -1.474 0.000 -3.046) 3.384 3.416 ( 16.279 0.000 10.065) 19.139 3.449 ( 8.783 0.000 2.385) 9.101 3.541 ( 1.632 0.000 -1.830) 2.452 3.680 ( 12.102 0.000 -11.971) 17.023 3.684 ( -0.140 0.000 2.643) 2.647 3.737 ( -9.610 0.000 3.774) 10.324 3.774 ( -6.627 0.000 -1.172) 6.730 3.939 ( 12.592 0.000 -10.862) 16.630 4.033 ( -14.451 0.000 -15.663) 21.311 4.243 ( -15.423 0.000 -7.754) 17.263 4.478 ( 9.786 0.000 10.585) 14.416 4.649 ( -8.723 0.000 5.925) 10.545 5.054 ( 3.197 0.000 -1.782) 3.660 5.104 ( -0.338 0.000 2.848) 2.868 5.316 ( 2.269 0.000 -3.140) 3.874 5.328 ( 0.910 0.000 -1.582) 1.825 5.526 ( 11.082 0.000 -5.179) 12.232 5.676 ( -3.381 0.000 -6.600) 7.415 6.035 ( 1.235 0.000 9.428) 9.508 6.100 ( -3.612 0.000 10.934) 11.515 6.369 ( 3.933 0.000 -4.191) 5.748 6.413 ( 0.634 0.000 -2.141) 2.233 7.059 ( 0.283 0.000 0.158) 0.324 7.064 ( -0.246 0.000 -0.024) 0.247 7.284 ( 7.242 0.000 2.405) 7.630 7.429 ( -7.341 0.000 1.495) 7.491 7.914 ( 1.190 0.000 -0.061) 1.192 7.931 ( -0.577 0.000 -0.702) 0.909 8.123 ( 13.757 0.000 -6.043) 15.026 8.295 ( 4.554 0.000 0.488) 4.580 8.314 ( 2.786 0.000 -0.088) 2.787 8.356 ( -11.582 0.000 -7.920) 14.031 8.378 ( -3.037 0.000 1.435) 3.359 8.410 ( -6.313 0.000 0.179) 6.315 8.702 ( 1.627 0.000 0.616) 1.740 8.752 ( -3.077 0.000 -5.474) 6.279 9.317 ( -2.527 0.000 1.362) 2.871 9.358 ( -6.107 0.000 0.021) 6.107 9.413 ( 5.392 0.000 5.100) 7.422 9.504 ( -4.501 0.000 4.193) 6.151 9.808 ( 2.475 0.000 0.907) 2.636 9.816 ( 2.759 0.000 -9.670) 10.056 9.854 ( -2.160 0.000 1.710) 2.755 9.864 ( -2.365 0.000 -8.910) 9.219 10.196 ( 10.850 0.000 9.434) 14.378 10.345 ( -2.031 0.000 1.982) 2.838 10.376 ( 6.165 0.000 -1.886) 6.447 10.459 ( -2.245 0.000 -7.249) 7.588 10.926 ( 9.253 0.000 1.999) 9.466 11.177 ( -16.396 0.000 -4.250) 16.938 11.313 ( 1.428 0.000 10.839) 10.933 11.339 ( -1.390 0.000 10.463) 10.555 11.766 ( 0.732 0.000 -6.862) 6.901 11.780 ( -0.732 0.000 -6.695) 6.734 12.082 ( 4.437 0.000 1.667) 4.740 12.163 ( -4.199 0.000 -1.271) 4.387 12.882 ( 2.537 0.000 2.329) 3.444 12.953 ( -5.078 0.000 0.458) 5.099 13.731 ( 1.980 0.000 1.620) 2.558 13.763 ( -1.480 0.000 0.027) 1.481 14.153 ( 7.371 0.000 1.857) 7.601 14.258 ( -3.874 0.000 -1.496) 4.153 15.852 ( 5.349 0.000 23.091) 23.702 16.009 ( -13.404 0.000 29.561) 32.458 17.322 ( 4.429 0.000 -10.358) 11.265 17.450 ( -9.281 0.000 -8.410) 12.525 17.590 ( 0.046 0.000 0.679) 0.681 17.591 ( -0.048 0.000 0.677) 0.679 17.626 ( 0.039 0.000 -0.659) 0.660 17.627 ( -0.037 0.000 -0.654) 0.655 18.928 ( 10.879 0.000 -1.123) 10.937 19.085 ( -4.190 0.000 -7.766) 8.824 19.327 ( -1.939 0.000 2.912) 3.498 19.414 ( -8.789 0.000 -0.773) 8.823 21.673 ( 4.598 0.000 2.247) 5.118 21.734 ( -2.034 0.000 0.953) 2.246 22.237 ( 7.802 0.000 -4.504) 9.009 22.324 ( -1.172 0.000 -8.205) 8.288 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 16.931 17.086) 24.054 0.785 ( 0.000 21.737 15.521) 26.709 1.500 ( 0.000 16.830 6.990) 18.224 1.575 ( 0.000 32.241 11.041) 34.080 1.638 ( 0.000 -0.561 -10.735) 10.750 1.922 ( 0.000 9.244 -7.230) 11.736 2.009 ( 0.000 7.328 7.366) 10.390 2.358 ( 0.000 14.675 3.946) 15.196 2.464 ( 0.000 10.987 3.384) 11.496 2.477 ( 0.000 3.714 -1.356) 3.953 2.645 ( 0.000 6.940 -9.666) 11.899 2.845 ( 0.000 -8.440 6.423) 10.606 2.875 ( 0.000 -0.969 -1.380) 1.686 2.886 ( 0.000 -2.077 5.251) 5.647 3.008 ( 0.000 1.008 0.247) 1.038 3.084 ( 0.000 4.402 -3.002) 5.328 3.159 ( 0.000 6.198 2.283) 6.605 3.297 ( 0.000 18.336 0.434) 18.341 3.404 ( 0.000 20.593 -12.525) 24.103 3.422 ( 0.000 15.783 -1.076) 15.819 3.580 ( 0.000 10.325 -3.030) 10.760 3.654 ( 0.000 17.610 -3.384) 17.932 3.792 ( 0.000 1.986 4.513) 4.931 3.942 ( 0.000 2.135 0.527) 2.200 4.031 ( 0.000 8.220 4.194) 9.228 4.117 ( 0.000 11.814 6.794) 13.628 4.361 ( 0.000 5.751 7.182) 9.201 4.493 ( 0.000 3.627 1.900) 4.095 4.684 ( 0.000 -0.371 -15.255) 15.259 4.723 ( 0.000 2.802 -9.308) 9.720 4.875 ( 0.000 3.251 -1.569) 3.610 4.889 ( 0.000 2.236 -4.943) 5.425 5.173 ( 0.000 -0.372 5.103) 5.117 5.218 ( 0.000 -7.101 7.366) 10.231 5.374 ( 0.000 -4.059 6.572) 7.724 5.528 ( 0.000 -0.625 -7.273) 7.300 5.965 ( 0.000 -5.709 -5.116) 7.666 6.022 ( 0.000 -5.618 0.207) 5.622 6.302 ( 0.000 0.965 3.737) 3.860 6.364 ( 0.000 -4.671 5.119) 6.930 7.128 ( 0.000 -5.362 1.457) 5.557 7.162 ( 0.000 6.637 0.511) 6.656 7.372 ( 0.000 3.563 -6.257) 7.200 7.418 ( 0.000 17.462 -12.788) 21.644 7.774 ( 0.000 -7.411 6.181) 9.650 7.886 ( 0.000 -6.492 -1.086) 6.582 7.989 ( 0.000 1.200 10.674) 10.741 8.207 ( 0.000 -5.013 3.765) 6.270 8.304 ( 0.000 4.807 0.655) 4.852 8.344 ( 0.000 10.038 4.726) 11.094 8.596 ( 0.000 1.778 -0.094) 1.780 8.629 ( 0.000 -0.739 1.556) 1.722 8.726 ( 0.000 7.142 -3.887) 8.131 8.778 ( 0.000 1.940 -3.086) 3.645 9.308 ( 0.000 -16.537 -2.642) 16.747 9.351 ( 0.000 -18.010 -7.375) 19.461 9.529 ( 0.000 3.796 -13.214) 13.749 9.631 ( 0.000 -8.302 -4.576) 9.480 9.653 ( 0.000 -5.663 -3.805) 6.823 9.683 ( 0.000 -1.577 -0.846) 1.790 9.839 ( 0.000 0.789 5.487) 5.543 10.026 ( 0.000 6.009 -4.879) 7.741 10.082 ( 0.000 -7.597 14.977) 16.794 10.162 ( 0.000 6.508 -5.626) 8.602 10.186 ( 0.000 6.874 -5.939) 9.084 10.405 ( 0.000 -8.455 2.025) 8.694 10.773 ( 0.000 -6.202 9.113) 11.023 10.946 ( 0.000 -21.160 10.577) 23.656 11.404 ( 0.000 -12.404 -11.866) 17.166 11.498 ( 0.000 7.511 6.079) 9.663 11.512 ( 0.000 -0.567 -20.115) 20.123 11.865 ( 0.000 5.024 -8.312) 9.712 12.307 ( 0.000 10.385 4.066) 11.152 12.603 ( 0.000 21.514 -9.797) 23.640 13.085 ( 0.000 20.064 9.650) 22.264 13.574 ( 0.000 31.114 -22.114) 38.172 13.722 ( 0.000 4.461 10.437) 11.350 13.859 ( 0.000 3.990 0.620) 4.038 13.929 ( 0.000 0.117 3.314) 3.316 14.224 ( 0.000 -4.224 -4.953) 6.509 15.778 ( 0.000 0.672 16.494) 16.508 16.681 ( 0.000 -43.748 35.663) 56.443 16.688 ( 0.000 -8.399 -18.131) 19.982 17.168 ( 0.000 -23.762 -0.681) 23.772 17.500 ( 0.000 -8.503 0.968) 8.558 17.568 ( 0.000 -5.422 -1.937) 5.758 17.690 ( 0.000 -1.249 2.465) 2.764 17.704 ( 0.000 -5.570 1.680) 5.818 19.117 ( 0.000 13.820 1.460) 13.897 19.396 ( 0.000 15.470 -16.114) 22.338 19.677 ( 0.000 10.852 0.828) 10.883 19.749 ( 0.000 9.622 -1.766) 9.783 21.616 ( 0.000 9.573 -0.322) 9.578 21.675 ( 0.000 4.350 -2.379) 4.958 21.862 ( 0.000 -0.280 5.198) 5.205 22.051 ( 0.000 -5.480 -0.800) 5.538 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 12.439 18.014 10.633) 24.337 0.948 ( 16.348 13.814 15.745) 26.570 1.514 ( 1.177 8.084 -11.190) 13.855 1.620 ( 3.364 15.784 10.479) 19.242 1.774 ( 8.324 12.249 -2.691) 15.052 1.900 ( 0.598 12.459 2.995) 12.828 1.945 ( -2.078 11.639 3.449) 12.316 2.169 ( -16.524 11.001 5.007) 20.473 2.423 ( -5.243 8.741 -2.350) 10.460 2.489 ( -0.565 7.678 0.274) 7.704 2.545 ( -6.141 6.698 -3.417) 9.708 2.689 ( -7.983 -5.227 5.018) 10.781 2.843 ( -4.213 -1.436 0.747) 4.513 2.987 ( 4.809 2.665 -1.391) 5.672 3.136 ( 4.275 8.512 2.669) 9.892 3.169 ( 8.684 3.081 0.031) 9.215 3.215 ( 5.293 3.377 3.911) 7.397 3.272 ( -1.045 15.250 3.469) 15.675 3.409 ( 2.900 11.409 -2.694) 12.076 3.534 ( 6.539 14.467 -9.823) 18.670 3.612 ( 6.301 16.016 -5.464) 18.058 3.659 ( 0.110 16.471 -2.176) 16.615 3.764 ( -3.514 3.049 2.640) 5.349 3.892 ( -4.124 5.551 1.806) 7.147 3.960 ( -7.654 8.153 -1.401) 11.270 4.077 ( -8.739 10.822 5.381) 14.915 4.259 ( -0.483 4.359 0.905) 4.478 4.427 ( -4.602 4.611 2.277) 6.901 4.529 ( -10.857 5.114 -9.977) 15.606 4.739 ( -1.443 -1.381 -5.847) 6.179 4.999 ( 6.335 1.058 -0.037) 6.423 5.057 ( 3.913 1.244 1.443) 4.352 5.134 ( 10.691 -1.634 0.093) 10.815 5.291 ( 1.759 -3.426 1.660) 4.193 5.371 ( 1.806 -3.013 1.852) 3.971 5.610 ( 6.282 -1.802 -4.852) 8.139 5.999 ( -2.278 -5.722 2.190) 6.536 6.011 ( 4.324 -5.838 -1.915) 7.513 6.316 ( -2.968 -3.639 3.824) 6.056 6.339 ( 2.041 -1.610 1.562) 3.033 7.057 ( -4.044 -3.253 2.486) 5.755 7.143 ( -1.870 4.949 -0.919) 5.370 7.357 ( 2.547 11.261 -3.462) 12.053 7.571 ( 5.690 8.754 -10.532) 14.831 7.781 ( 1.760 -7.772 5.802) 9.857 7.863 ( -1.493 -5.939 1.173) 6.235 8.000 ( 3.082 -0.567 3.670) 4.826 8.263 ( 3.109 -2.975 1.584) 4.586 8.308 ( 2.067 7.240 0.817) 7.574 8.381 ( 1.775 5.673 2.222) 6.346 8.534 ( -4.725 3.158 1.963) 6.012 8.621 ( -2.143 3.117 0.527) 3.819 8.690 ( -1.277 3.144 -3.753) 5.060 8.795 ( 0.341 3.568 -1.249) 3.796 9.301 ( -4.425 -11.980 -3.225) 13.172 9.335 ( 1.170 -12.175 -2.710) 12.528 9.449 ( -4.967 0.155 -6.051) 7.830 9.595 ( -4.567 -1.262 -4.328) 6.417 9.636 ( -1.456 -10.351 -7.313) 12.758 9.673 ( -1.171 -7.372 -0.915) 7.521 9.827 ( -0.161 0.344 3.333) 3.355 10.009 ( -3.410 1.612 2.007) 4.273 10.140 ( 4.125 -7.828 -0.920) 8.896 10.199 ( 5.214 5.441 3.528) 8.321 10.254 ( 6.144 -3.398 -6.546) 9.600 10.431 ( 3.300 -1.257 1.367) 3.787 10.727 ( -4.072 -6.119 8.814) 11.477 10.921 ( -2.694 -21.571 8.356) 23.289 11.431 ( -2.321 0.643 -2.766) 3.668 11.485 ( 3.114 -3.130 -10.744) 11.616 11.527 ( 1.744 -0.844 -7.408) 7.657 11.844 ( -2.472 3.262 -8.698) 9.612 12.318 ( 1.099 12.386 4.066) 13.083 12.546 ( -6.072 26.470 -4.242) 27.487 13.062 ( -1.092 18.424 7.976) 20.106 13.409 ( -13.295 25.500 -9.158) 30.180 13.737 ( 1.562 4.380 6.627) 8.096 13.826 ( -1.742 4.473 0.901) 4.885 14.014 ( 6.968 0.433 3.065) 7.625 14.250 ( 0.987 -3.493 -5.044) 6.214 15.793 ( 1.735 0.490 17.336) 17.430 16.253 ( -21.727 -12.162 28.407) 37.775 16.942 ( 8.112 -24.536 -8.167) 27.102 17.161 ( -1.177 -25.080 -2.463) 25.229 17.505 ( 0.668 -8.096 0.788) 8.162 17.567 ( 0.007 -5.177 -1.570) 5.410 17.641 ( -3.826 -2.817 0.905) 4.836 17.677 ( -2.929 -3.101 0.689) 4.321 19.095 ( -0.017 18.022 1.410) 18.077 19.305 ( -4.166 15.147 -8.252) 17.745 19.592 ( -8.310 11.322 1.142) 14.091 19.678 ( -7.087 9.638 -1.875) 12.109 21.631 ( 3.401 5.817 1.752) 6.962 21.756 ( 1.306 2.219 -2.273) 3.435 22.009 ( 12.426 -2.781 -2.179) 12.919 22.142 ( 8.131 -7.061 -3.472) 11.314 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 17.875 13.793 4.377) 22.999 1.298 ( 19.379 8.493 10.723) 23.720 1.479 ( -11.849 9.531 -2.349) 15.387 1.574 ( -2.150 7.179 -0.037) 7.494 1.720 ( -4.962 8.625 -1.306) 10.036 1.793 ( -15.425 10.954 2.878) 19.136 2.047 ( 8.245 3.434 -12.148) 15.078 2.190 ( 7.543 12.131 2.975) 14.591 2.298 ( 1.048 10.797 -0.420) 10.856 2.449 ( -6.220 6.489 2.470) 9.322 2.501 ( 7.207 12.753 9.017) 17.201 2.643 ( 0.375 -0.577 6.241) 6.279 2.766 ( -3.208 -0.128 -0.579) 3.262 2.895 ( -15.627 11.004 5.816) 19.979 3.133 ( -1.695 14.170 2.141) 14.430 3.164 ( -3.937 14.088 -0.080) 14.628 3.338 ( 4.583 4.038 4.096) 7.354 3.406 ( -0.229 5.345 -1.279) 5.501 3.438 ( 13.713 4.349 6.707) 15.873 3.585 ( 2.374 12.401 1.491) 12.714 3.654 ( 0.154 10.180 -0.888) 10.220 3.716 ( -9.585 3.039 3.966) 10.810 3.764 ( -0.223 7.478 1.599) 7.650 3.816 ( 9.923 13.155 -10.771) 19.686 3.915 ( -2.660 11.763 -4.556) 12.892 4.038 ( 11.436 9.783 -8.201) 17.139 4.109 ( -13.313 8.136 -16.243) 22.523 4.300 ( -14.481 6.251 -9.077) 18.198 4.501 ( 8.695 2.880 9.777) 13.398 4.651 ( -7.329 0.623 5.382) 9.114 5.059 ( 3.577 0.544 -1.207) 3.815 5.113 ( -0.397 1.179 3.046) 3.290 5.276 ( 2.343 -3.739 -1.603) 4.695 5.303 ( 0.704 -2.244 1.001) 2.556 5.501 ( 11.157 -2.268 -4.811) 12.359 5.655 ( -3.435 -1.750 -6.913) 7.915 5.981 ( 1.995 -4.912 7.711) 9.358 6.046 ( -2.502 -4.675 7.288) 9.013 6.300 ( 3.175 -5.786 -2.683) 7.124 6.360 ( -1.361 -4.180 -2.428) 5.022 7.042 ( 2.180 -2.121 1.379) 3.339 7.099 ( -3.118 1.355 -1.090) 3.570 7.435 ( 5.740 12.026 1.387) 13.397 7.547 ( -5.694 10.481 1.716) 12.051 7.824 ( 1.734 -8.313 0.613) 8.514 7.845 ( -0.848 -7.983 -0.102) 8.028 8.123 ( 8.854 -2.266 -4.803) 10.325 8.256 ( -4.692 -5.382 -2.767) 7.658 8.380 ( 4.416 8.830 0.220) 9.875 8.386 ( 1.485 7.847 -0.950) 8.042 8.472 ( -1.959 7.157 0.919) 7.477 8.534 ( -6.502 8.671 -2.646) 11.156 8.726 ( 3.807 0.161 2.905) 4.792 8.780 ( -1.894 4.809 1.231) 5.313 9.242 ( -0.560 -5.227 -0.591) 5.290 9.291 ( -4.778 -1.259 -1.619) 5.199 9.434 ( 2.451 -9.146 0.462) 9.480 9.505 ( -4.913 -2.190 -1.571) 5.603 9.620 ( 0.411 -11.476 -6.012) 12.962 9.645 ( -1.751 -10.625 -5.242) 11.977 9.850 ( 2.675 -1.682 1.279) 3.409 9.920 ( -4.925 -1.278 1.230) 5.235 10.217 ( 4.146 -13.556 -6.110) 15.437 10.273 ( -1.239 -16.064 -2.725) 16.340 10.357 ( 8.251 7.478 5.234) 12.304 10.477 ( -2.602 8.389 6.306) 10.813 10.711 ( 5.242 -11.283 3.185) 12.842 10.841 ( -6.458 -17.777 3.668) 19.266 11.404 ( 0.357 3.054 0.083) 3.076 11.447 ( -3.800 4.755 -1.808) 6.350 11.649 ( 7.844 -6.190 -9.967) 14.113 11.772 ( -5.489 -1.290 -9.417) 10.976 12.350 ( 2.703 18.253 4.435) 18.977 12.426 ( -5.925 25.887 3.421) 26.776 13.088 ( 4.165 17.388 2.321) 18.030 13.205 ( -8.793 19.895 -1.708) 21.819 13.769 ( 1.814 4.173 2.317) 5.106 13.799 ( -1.517 4.377 1.147) 4.772 14.141 ( 6.464 -1.008 2.214) 6.907 14.230 ( -3.155 -2.516 -0.943) 4.144 15.845 ( 4.391 -0.370 20.416) 20.886 15.970 ( -10.280 -3.167 26.091) 28.222 17.042 ( 4.318 -22.101 -9.677) 24.510 17.115 ( -3.660 -23.941 -6.478) 25.071 17.526 ( 1.658 -6.733 0.434) 6.948 17.560 ( -1.569 -4.838 0.228) 5.091 17.596 ( -0.158 -4.257 -1.815) 4.630 17.622 ( -2.559 -2.977 -1.490) 4.199 19.166 ( 7.027 17.135 -1.215) 18.560 19.273 ( -2.234 14.573 -5.988) 15.913 19.453 ( -3.552 10.815 2.329) 11.619 19.525 ( -8.556 9.730 -0.699) 12.975 21.702 ( 3.740 3.726 1.886) 5.606 21.751 ( -1.500 2.484 0.794) 3.008 22.181 ( 6.599 -4.415 -3.477) 8.668 22.237 ( 0.936 -6.541 -5.080) 8.335 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.000 26.244 2.130) 26.330 1.272 ( 0.000 26.409 6.954) 27.309 1.741 ( 0.000 10.941 -8.540) 13.880 1.811 ( 0.000 18.592 -4.837) 19.211 2.081 ( 0.000 11.991 -2.360) 12.221 2.087 ( 0.000 7.924 -3.577) 8.694 2.456 ( 0.000 34.747 17.615) 38.957 2.566 ( 0.000 6.388 1.199) 6.500 2.660 ( 0.000 13.242 8.643) 15.813 2.667 ( 0.000 10.295 -0.816) 10.327 2.819 ( 0.000 2.491 -2.048) 3.224 2.839 ( 0.000 9.375 1.892) 9.564 2.920 ( 0.000 6.157 6.710) 9.107 2.941 ( 0.000 11.265 -4.363) 12.081 3.059 ( 0.000 7.501 -2.191) 7.814 3.195 ( 0.000 5.665 5.056) 7.593 3.432 ( 0.000 18.616 3.851) 19.010 3.580 ( 0.000 8.421 -2.124) 8.685 3.691 ( 0.000 5.199 4.917) 7.156 3.809 ( 0.000 10.126 -6.508) 12.037 3.810 ( 0.000 15.203 -4.480) 15.850 3.968 ( 0.000 19.138 -4.169) 19.586 3.989 ( 0.000 20.955 1.132) 20.986 4.081 ( 0.000 15.064 -6.174) 16.280 4.252 ( 0.000 13.197 4.193) 13.847 4.440 ( 0.000 19.141 4.448) 19.651 4.535 ( 0.000 11.367 3.013) 11.760 4.616 ( 0.000 8.354 2.125) 8.620 4.682 ( 0.000 0.720 -11.402) 11.425 4.840 ( 0.000 9.541 -9.138) 13.211 4.972 ( 0.000 5.188 -0.412) 5.204 4.986 ( 0.000 8.088 -1.833) 8.293 5.154 ( 0.000 2.038 4.068) 4.550 5.181 ( 0.000 1.455 3.944) 4.204 5.278 ( 0.000 -4.286 6.142) 7.490 5.544 ( 0.000 2.222 -9.496) 9.752 5.803 ( 0.000 -10.268 -7.062) 12.462 5.879 ( 0.000 -8.832 -1.770) 9.008 6.280 ( 0.000 -3.855 6.761) 7.783 6.324 ( 0.000 0.979 1.500) 1.791 7.027 ( 0.000 -3.748 5.210) 6.418 7.237 ( 0.000 0.503 -3.005) 3.047 7.452 ( 0.000 1.521 5.310) 5.524 7.609 ( 0.000 1.085 -2.959) 3.152 7.677 ( 0.000 0.666 -2.280) 2.375 7.771 ( 0.000 -1.602 -6.817) 7.002 7.984 ( 0.000 -0.907 8.325) 8.374 8.116 ( 0.000 -3.509 3.264) 4.792 8.377 ( 0.000 -0.793 2.219) 2.357 8.502 ( 0.000 -4.795 3.026) 5.670 8.595 ( 0.000 -2.221 4.349) 4.884 8.734 ( 0.000 12.221 0.848) 12.251 8.737 ( 0.000 -9.854 1.963) 10.047 8.869 ( 0.000 8.177 -3.544) 8.912 9.022 ( 0.000 -10.744 -12.017) 16.119 9.083 ( 0.000 -5.776 -11.901) 13.229 9.246 ( 0.000 -27.434 -2.645) 27.562 9.486 ( 0.000 -14.223 -17.055) 22.208 9.576 ( 0.000 -4.308 5.171) 6.731 9.602 ( 0.000 -2.419 1.586) 2.893 9.790 ( 0.000 -19.879 3.722) 20.224 9.800 ( 0.000 -5.263 6.276) 8.191 9.885 ( 0.000 -6.786 9.837) 11.951 10.022 ( 0.000 -9.549 1.215) 9.626 10.222 ( 0.000 -3.102 3.320) 4.544 10.545 ( 0.000 12.073 -2.322) 12.294 10.692 ( 0.000 4.644 2.770) 5.407 10.832 ( 0.000 1.985 11.909) 12.073 11.239 ( 0.000 -7.943 -18.407) 20.048 11.567 ( 0.000 4.351 -20.513) 20.970 11.582 ( 0.000 1.404 3.948) 4.190 11.918 ( 0.000 0.258 -9.011) 9.014 12.535 ( 0.000 14.051 7.723) 16.033 13.002 ( 0.000 19.161 -12.844) 23.067 13.557 ( 0.000 24.313 10.326) 26.415 13.787 ( 0.000 -2.274 -3.056) 3.809 13.849 ( 0.000 7.537 9.680) 12.268 13.961 ( 0.000 5.266 0.682) 5.310 14.129 ( 0.000 -3.685 -2.251) 4.318 14.156 ( 0.000 16.632 -9.728) 19.268 15.802 ( 0.000 1.880 11.856) 12.004 16.141 ( 0.000 -14.030 25.784) 29.354 16.491 ( 0.000 -10.613 -13.333) 17.041 16.715 ( 0.000 -20.626 -4.054) 21.021 17.284 ( 0.000 -12.754 1.739) 12.872 17.427 ( 0.000 -8.775 -4.657) 9.934 17.542 ( 0.000 -10.546 2.835) 10.920 17.598 ( 0.000 -7.134 1.764) 7.349 19.327 ( 0.000 5.146 0.719) 5.196 19.429 ( 0.000 -7.337 -3.772) 8.250 19.847 ( 0.000 3.737 0.990) 3.866 19.917 ( 0.000 4.704 -1.546) 4.951 21.841 ( 0.000 12.767 0.000) 12.767 21.888 ( 0.000 15.843 -2.809) 16.090 21.920 ( 0.000 7.816 2.708) 8.272 22.019 ( 0.000 4.679 0.000) 4.679 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 9.564 23.286 3.540) 25.421 1.341 ( 7.153 23.996 6.390) 25.842 1.733 ( 0.286 13.931 -7.998) 16.066 1.872 ( 4.386 15.618 -1.002) 16.253 2.003 ( -6.876 11.215 -4.685) 13.964 2.071 ( -2.224 7.601 -4.861) 9.292 2.362 ( -19.066 7.879 5.090) 21.249 2.498 ( 2.289 26.016 8.951) 27.607 2.569 ( -10.465 4.550 -3.465) 11.925 2.653 ( 1.108 12.104 4.168) 12.849 2.723 ( 1.412 12.731 7.376) 14.781 2.810 ( -3.015 14.752 6.719) 16.488 2.921 ( -1.116 11.755 -7.703) 14.098 3.104 ( 10.843 7.923 0.953) 13.463 3.200 ( 11.984 2.809 0.763) 12.333 3.275 ( 5.387 9.269 3.999) 11.443 3.471 ( 3.161 16.355 7.254) 18.169 3.561 ( -2.681 9.369 3.552) 10.372 3.625 ( -4.947 8.754 0.976) 10.102 3.789 ( -2.563 5.368 -0.832) 6.007 3.894 ( 7.492 15.294 -4.492) 17.613 3.934 ( 0.974 15.857 0.680) 15.902 4.049 ( 3.854 21.409 -10.837) 24.303 4.119 ( 0.861 18.308 -3.973) 18.754 4.204 ( -7.157 16.843 1.138) 18.336 4.353 ( -9.609 13.617 1.845) 16.767 4.435 ( -1.702 15.819 0.442) 15.916 4.568 ( -2.709 9.391 0.161) 9.775 4.710 ( -3.179 10.678 -7.322) 13.332 4.735 ( -5.031 3.271 -6.859) 9.114 5.040 ( 2.517 2.762 1.933) 4.207 5.094 ( 2.514 2.499 2.955) 4.615 5.127 ( 8.128 1.673 1.064) 8.366 5.242 ( 1.548 -0.377 -0.793) 1.779 5.316 ( 4.636 -0.950 5.475) 7.237 5.606 ( 5.144 1.360 -7.904) 9.528 5.848 ( 2.549 -9.467 -3.665) 10.466 5.861 ( 0.655 -8.806 -2.626) 9.213 6.234 ( -4.155 -3.457 6.238) 8.254 6.319 ( -0.989 -1.318 -0.027) 1.648 6.987 ( -2.248 -2.649 5.403) 6.424 7.201 ( -4.176 0.995 -3.587) 5.594 7.522 ( 5.846 0.635 3.913) 7.063 7.635 ( 2.155 -2.583 -0.971) 3.502 7.661 ( -1.060 -1.557 -0.324) 1.912 7.787 ( 0.942 1.452 -6.299) 6.533 7.977 ( 1.875 -0.381 5.329) 5.662 8.185 ( 2.789 -3.332 1.089) 4.480 8.382 ( 2.682 -0.854 3.328) 4.359 8.511 ( 1.254 -3.973 1.645) 4.479 8.624 ( -0.840 -0.100 2.297) 2.448 8.680 ( 1.573 3.549 2.331) 4.528 8.746 ( -1.810 3.792 0.762) 4.270 8.867 ( -0.247 2.680 -0.158) 2.696 9.071 ( 4.703 -12.766 -6.487) 15.072 9.113 ( 2.975 -1.733 -12.202) 12.678 9.270 ( 2.177 -25.141 -3.568) 25.486 9.444 ( -5.297 -5.844 -10.596) 13.209 9.484 ( -7.275 -9.936 1.204) 12.373 9.540 ( -6.756 -4.609 0.310) 8.184 9.711 ( -2.053 -15.670 4.657) 16.476 9.852 ( -1.707 -7.877 6.223) 10.183 9.870 ( -1.450 -10.447 -0.116) 10.548 9.991 ( -2.495 -13.270 1.580) 13.594 10.291 ( 7.261 -0.330 7.461) 10.416 10.583 ( 3.215 9.824 -2.425) 10.618 10.691 ( 0.161 4.659 2.689) 5.382 10.770 ( -5.425 1.791 8.431) 10.185 11.320 ( 6.960 -7.493 -14.115) 17.430 11.519 ( -3.246 1.016 -2.877) 4.454 11.585 ( -0.419 4.401 -12.642) 13.392 11.870 ( -5.142 -0.139 -9.591) 10.883 12.590 ( 5.967 15.677 7.836) 18.514 13.032 ( 1.631 22.090 -11.053) 24.755 13.470 ( -7.859 18.844 7.532) 21.762 13.693 ( -8.545 5.051 -5.427) 11.313 13.870 ( 2.086 9.114 8.224) 12.452 13.992 ( 1.285 6.821 3.311) 7.690 14.083 ( -0.352 7.101 2.242) 7.454 14.192 ( 0.722 1.290 -5.475) 5.671 15.814 ( 1.359 1.809 12.382) 12.587 16.045 ( -7.758 -6.834 22.430) 24.698 16.551 ( 4.527 -15.573 -10.797) 19.483 16.701 ( -1.479 -20.613 -4.678) 21.188 17.298 ( 1.593 -12.386 1.496) 12.577 17.431 ( 0.498 -8.565 -4.161) 9.535 17.501 ( -3.889 -10.291 2.003) 11.183 17.568 ( -2.928 -7.441 0.579) 8.018 19.333 ( 1.652 4.835 0.752) 5.165 19.437 ( 1.470 -1.334 -3.465) 3.994 19.773 ( -7.432 4.332 1.245) 8.692 19.849 ( -6.969 4.955 -1.519) 8.685 21.830 ( 0.614 14.005 0.894) 14.047 21.877 ( -0.251 10.613 -0.150) 10.617 22.028 ( 7.689 5.953 -0.895) 9.765 22.091 ( 6.155 3.916 -1.021) 7.366 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 11.717 20.817 1.616) 23.942 1.540 ( 15.608 15.389 6.680) 22.914 1.716 ( -6.036 14.612 -3.075) 16.106 1.808 ( -7.557 15.319 2.718) 17.297 1.937 ( -2.889 12.861 -1.624) 13.281 1.997 ( -15.374 10.184 4.046) 18.879 2.127 ( 9.000 5.408 -10.428) 14.798 2.337 ( -12.559 4.270 -6.092) 14.597 2.583 ( 3.942 15.808 1.645) 16.374 2.647 ( -2.470 12.120 1.240) 12.431 2.738 ( 1.713 10.451 1.782) 10.739 2.792 ( -3.096 10.643 3.506) 11.626 3.001 ( 12.890 25.252 5.095) 28.806 3.218 ( -5.381 19.001 3.206) 20.007 3.339 ( 5.655 5.636 6.066) 10.027 3.394 ( 6.553 5.282 -1.771) 8.601 3.453 ( -2.496 9.821 8.690) 13.349 3.521 ( -3.183 7.395 0.593) 8.073 3.596 ( 4.071 11.097 9.682) 15.279 3.721 ( -6.020 3.725 5.951) 9.248 3.942 ( -4.042 20.419 -0.909) 20.835 3.968 ( -4.195 18.459 0.200) 18.930 4.025 ( 6.617 18.053 -0.696) 19.240 4.146 ( 0.326 15.524 -3.540) 15.926 4.220 ( 7.459 18.370 -15.317) 25.054 4.262 ( 0.857 12.991 -5.136) 13.996 4.370 ( -4.391 17.416 -12.983) 22.162 4.487 ( -11.799 12.148 -8.568) 18.979 4.622 ( 4.119 9.597 5.272) 11.699 4.706 ( -3.535 6.470 2.642) 7.832 5.082 ( 3.866 1.958 -0.356) 4.348 5.154 ( -2.820 1.474 1.283) 3.431 5.192 ( 5.099 -2.574 3.625) 6.765 5.257 ( -1.375 -1.703 3.715) 4.313 5.458 ( 10.136 -1.214 -1.994) 10.401 5.616 ( -5.662 -2.075 -5.817) 8.378 5.872 ( 4.321 -5.442 2.276) 7.312 5.929 ( 0.584 -7.247 -1.412) 7.407 6.191 ( 1.475 -4.128 1.999) 4.818 6.269 ( -4.708 -4.742 -1.455) 6.838 6.998 ( 3.666 -1.857 2.511) 4.816 7.098 ( -6.508 -0.964 -1.658) 6.785 7.612 ( 3.327 -4.717 2.410) 6.255 7.645 ( -0.848 -6.677 0.512) 6.750 7.686 ( 4.041 4.642 0.050) 6.155 7.767 ( -3.522 6.150 -0.771) 7.129 8.055 ( 5.654 -3.296 -0.828) 6.597 8.156 ( -4.766 -4.665 -0.841) 6.722 8.470 ( 5.401 -0.264 0.830) 5.470 8.531 ( -0.213 -1.131 0.276) 1.183 8.639 ( 2.359 6.654 0.036) 7.060 8.678 ( -2.633 4.046 0.266) 4.834 8.759 ( 4.449 5.120 6.299) 9.257 8.844 ( -3.130 -1.793 6.307) 7.265 9.173 ( 4.856 -8.357 -2.877) 10.085 9.178 ( 4.470 -4.766 -5.880) 8.791 9.301 ( -4.748 -1.774 -4.561) 6.819 9.311 ( -0.273 -14.407 -4.716) 15.161 9.380 ( -5.334 -12.207 -0.843) 13.348 9.420 ( -4.597 -14.271 -9.246) 17.615 9.700 ( 0.748 -13.481 2.599) 13.749 9.757 ( -5.736 -11.851 0.695) 13.184 9.877 ( 2.074 -13.176 1.674) 13.443 9.934 ( -3.709 -13.825 0.636) 14.328 10.452 ( 9.485 1.152 8.394) 12.718 10.595 ( -4.556 3.303 3.857) 6.823 10.692 ( -0.833 5.394 1.788) 5.744 10.697 ( -0.162 3.801 1.626) 4.138 11.420 ( 3.544 -3.253 -7.855) 9.211 11.474 ( -2.458 -3.489 -2.815) 5.113 11.613 ( 5.295 4.128 -13.551) 15.123 11.746 ( -7.972 -0.090 -10.871) 13.481 12.744 ( 10.819 20.087 7.284) 23.950 12.955 ( -10.700 25.106 1.276) 27.321 13.412 ( 3.539 12.703 -3.194) 13.568 13.535 ( -8.428 12.128 -6.427) 16.107 13.918 ( 3.033 11.334 6.871) 13.597 13.971 ( -2.616 12.419 6.029) 14.051 14.128 ( 3.530 0.133 3.676) 5.098 14.179 ( -1.932 -1.728 0.575) 2.655 15.851 ( 2.870 1.297 14.323) 14.665 15.923 ( -5.335 -0.805 18.022) 18.812 16.619 ( 3.014 -18.955 -8.596) 21.030 16.666 ( -2.313 -20.205 -6.369) 21.311 17.342 ( 3.292 -11.460 1.117) 11.975 17.412 ( -4.020 -10.196 1.035) 11.009 17.462 ( 1.484 -8.671 -3.316) 9.401 17.508 ( -3.283 -7.934 -1.856) 8.785 19.409 ( 6.376 5.379 -0.401) 8.351 19.483 ( 1.771 4.507 -3.817) 6.166 19.632 ( -5.156 4.649 2.254) 7.299 19.697 ( -8.657 5.082 -0.682) 10.062 21.856 ( 1.597 12.284 1.074) 12.434 21.875 ( -0.412 10.884 0.719) 10.916 22.143 ( 4.496 2.482 -1.504) 5.351 22.172 ( 1.635 1.955 -2.004) 3.242 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 24.809 -2.635) 24.948 1.789 ( 0.000 25.438 -0.643) 25.447 2.045 ( 0.000 19.070 -2.446) 19.226 2.207 ( 0.000 19.876 -3.858) 20.247 2.259 ( 0.000 10.139 -0.440) 10.149 2.296 ( 0.000 11.627 -1.802) 11.766 2.660 ( 0.000 5.922 7.489) 9.548 2.817 ( 0.000 11.361 -0.305) 11.365 2.827 ( 0.000 1.114 -3.341) 3.522 2.897 ( 0.000 11.931 -1.884) 12.079 2.959 ( 0.000 8.567 3.706) 9.334 3.098 ( 0.000 8.807 2.576) 9.176 3.129 ( 0.000 8.107 0.893) 8.156 3.233 ( 0.000 4.841 12.147) 13.076 3.325 ( 0.000 33.226 13.934) 36.030 3.337 ( 0.000 9.816 -9.735) 13.825 3.679 ( 0.000 1.177 6.918) 7.017 3.741 ( 0.000 5.604 -0.763) 5.655 3.748 ( 0.000 5.057 3.962) 6.424 3.869 ( 0.000 7.723 3.931) 8.665 4.057 ( 0.000 7.351 -8.230) 11.035 4.343 ( 0.000 10.581 -12.525) 16.396 4.441 ( 0.000 13.544 7.073) 15.280 4.486 ( 0.000 26.041 -5.689) 26.655 4.514 ( 0.000 19.201 -2.650) 19.383 4.677 ( 0.000 4.850 -3.132) 5.773 4.798 ( 0.000 13.128 1.093) 13.173 4.830 ( 0.000 14.749 2.669) 14.989 4.855 ( 0.000 18.732 1.881) 18.826 5.056 ( 0.000 9.958 -1.044) 10.013 5.117 ( 0.000 13.004 -3.976) 13.598 5.131 ( 0.000 0.450 3.724) 3.751 5.205 ( 0.000 6.242 -0.801) 6.293 5.291 ( 0.000 8.081 -2.772) 8.543 5.363 ( 0.000 13.421 3.898) 13.975 5.601 ( 0.000 -8.373 -7.693) 11.370 5.627 ( 0.000 6.698 -10.250) 12.245 5.705 ( 0.000 -6.891 -3.300) 7.640 6.204 ( 0.000 -3.780 9.252) 9.995 6.338 ( 0.000 0.817 0.700) 1.076 7.000 ( 0.000 0.782 7.238) 7.280 7.194 ( 0.000 -3.344 -2.501) 4.176 7.456 ( 0.000 1.033 5.927) 6.016 7.533 ( 0.000 -5.040 0.868) 5.114 7.768 ( 0.000 4.994 -4.247) 6.555 7.802 ( 0.000 1.328 -6.109) 6.252 7.974 ( 0.000 0.106 5.011) 5.012 8.078 ( 0.000 0.003 0.079) 0.080 8.190 ( 0.000 -16.119 0.763) 16.138 8.285 ( 0.000 -13.528 2.826) 13.820 8.396 ( 0.000 -19.389 5.379) 20.121 8.520 ( 0.000 -15.221 6.669) 16.618 8.695 ( 0.000 -20.570 -8.085) 22.102 8.720 ( 0.000 -16.040 0.430) 16.045 8.808 ( 0.000 -16.150 -3.847) 16.602 9.031 ( 0.000 -1.694 -15.082) 15.177 9.070 ( 0.000 1.179 -5.908) 6.024 9.095 ( 0.000 -9.320 -6.420) 11.317 9.496 ( 0.000 -2.612 5.003) 5.643 9.554 ( 0.000 -2.042 0.945) 2.250 9.600 ( 0.000 3.106 8.046) 8.625 9.673 ( 0.000 -7.078 10.753) 12.874 9.790 ( 0.000 -2.125 2.739) 3.466 9.953 ( 0.000 0.076 -0.925) 0.928 10.298 ( 0.000 9.163 2.903) 9.612 10.692 ( 0.000 1.831 -5.270) 5.580 10.826 ( 0.000 5.069 5.958) 7.823 10.878 ( 0.000 3.730 7.262) 8.164 11.068 ( 0.000 -8.950 -11.379) 14.477 11.575 ( 0.000 -1.704 3.783) 4.149 11.629 ( 0.000 2.074 -17.212) 17.337 11.895 ( 0.000 -2.062 -6.559) 6.876 12.843 ( 0.000 16.111 4.565) 16.745 13.354 ( 0.000 16.103 -15.189) 22.136 13.727 ( 0.000 -2.663 -6.352) 6.888 13.848 ( 0.000 -0.342 -6.657) 6.666 14.013 ( 0.000 8.666 12.320) 15.063 14.091 ( 0.000 14.534 11.872) 18.766 14.188 ( 0.000 8.148 4.099) 9.120 14.389 ( 0.000 7.573 1.845) 7.794 15.865 ( 0.000 5.134 5.851) 7.784 16.034 ( 0.000 1.294 11.311) 11.385 16.297 ( 0.000 -8.625 -8.989) 12.457 16.394 ( 0.000 -11.598 -3.717) 12.179 17.019 ( 0.000 -13.700 2.624) 13.949 17.227 ( 0.000 -11.256 -6.197) 12.850 17.303 ( 0.000 -13.452 4.106) 14.065 17.436 ( 0.000 -8.953 0.058) 8.953 19.222 ( 0.000 -12.142 0.998) 12.183 19.298 ( 0.000 -7.153 -1.881) 7.396 19.779 ( 0.000 -10.186 1.783) 10.341 19.866 ( 0.000 -9.910 -1.468) 10.018 22.147 ( 0.000 17.925 -0.068) 17.925 22.167 ( 0.000 15.688 -0.638) 15.701 22.197 ( 0.000 18.713 2.229) 18.845 22.293 ( 0.000 18.405 -1.490) 18.465 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 4.580 23.300 -0.824) 23.760 1.828 ( 3.938 24.473 0.555) 24.794 2.053 ( 0.897 17.912 -3.357) 18.246 2.213 ( -0.303 12.640 -6.800) 14.356 2.243 ( -3.488 16.944 1.433) 17.358 2.247 ( -2.104 11.998 -0.885) 12.213 2.505 ( -16.405 7.863 6.078) 19.180 2.628 ( -10.461 5.034 0.816) 11.638 2.841 ( 0.114 12.147 -0.653) 12.165 2.887 ( -0.440 12.984 0.218) 12.993 2.960 ( -0.009 9.778 0.879) 9.818 3.125 ( 6.015 5.401 2.139) 8.362 3.197 ( -6.469 15.338 -3.058) 16.925 3.263 ( 9.312 4.258 0.509) 10.252 3.417 ( 8.462 15.046 8.340) 19.171 3.480 ( 10.348 16.173 3.942) 19.601 3.671 ( -1.180 2.785 7.361) 7.958 3.717 ( -3.531 3.152 2.339) 5.280 3.746 ( 2.917 6.645 5.698) 9.227 3.867 ( 0.238 9.109 5.976) 10.897 4.149 ( 8.725 8.773 -8.161) 14.822 4.322 ( -3.237 16.248 -1.937) 16.680 4.404 ( 3.505 15.329 -10.169) 18.726 4.436 ( -5.234 12.528 0.055) 13.577 4.614 ( 3.260 20.008 -2.924) 20.482 4.650 ( -8.539 18.014 -3.804) 20.295 4.767 ( -3.379 11.642 3.858) 12.722 4.801 ( 5.195 10.287 0.442) 11.533 4.814 ( -3.475 17.542 -0.896) 17.905 4.981 ( -7.571 12.363 -6.691) 15.967 5.104 ( 0.085 2.184 4.649) 5.137 5.156 ( 1.004 9.390 -1.696) 9.595 5.213 ( 1.091 5.241 0.465) 5.374 5.310 ( 1.034 4.833 -2.959) 5.760 5.412 ( 3.842 11.561 6.558) 13.836 5.655 ( 4.810 -2.837 -9.259) 10.813 5.670 ( 1.264 -1.859 -2.417) 3.301 5.713 ( 3.808 -2.326 -7.302) 8.557 6.178 ( -2.059 -2.303 7.921) 8.503 6.299 ( -4.079 0.253 0.853) 4.175 6.972 ( -1.588 0.955 6.389) 6.653 7.187 ( -3.337 -1.948 -3.837) 5.445 7.442 ( -0.030 -3.676 5.264) 6.421 7.530 ( -0.438 -4.479 0.483) 4.526 7.750 ( 0.272 2.883 -2.185) 3.628 7.820 ( 2.037 1.403 -3.999) 4.702 7.994 ( 2.826 1.920 2.745) 4.383 8.123 ( -1.415 -5.179 -1.222) 5.507 8.257 ( 6.630 -9.408 3.518) 12.035 8.297 ( 2.578 -14.691 2.747) 15.167 8.420 ( 4.044 -17.659 3.275) 18.409 8.522 ( 0.507 -17.099 5.613) 18.003 8.719 ( 2.079 -21.383 -8.142) 22.975 8.745 ( 1.022 -15.488 -0.907) 15.548 8.828 ( 3.461 -13.081 -1.296) 13.593 8.985 ( -1.175 1.914 -5.798) 6.218 9.083 ( -1.153 -10.124 -5.484) 11.572 9.146 ( 4.436 -4.182 -10.194) 11.878 9.433 ( -10.836 2.864 8.573) 14.111 9.494 ( -0.648 -1.415 3.617) 3.937 9.511 ( -4.830 -0.489 -0.635) 4.896 9.737 ( -4.927 -2.316 -1.262) 5.589 9.763 ( 2.674 -4.650 7.355) 9.103 9.878 ( -6.068 0.609 0.862) 6.159 10.357 ( 5.567 6.708 5.539) 10.328 10.682 ( -1.916 -0.655 -2.559) 3.263 10.809 ( -1.498 3.277 6.733) 7.636 10.837 ( -2.038 6.104 1.067) 6.523 11.154 ( 7.028 -8.943 -7.082) 13.399 11.501 ( -6.103 -2.142 0.361) 6.478 11.660 ( 2.112 2.914 -14.009) 14.464 11.860 ( -3.699 -0.712 -7.816) 8.677 12.909 ( 7.187 15.788 4.714) 17.976 13.409 ( 4.893 16.017 -14.518) 22.165 13.637 ( -9.278 0.713 -4.680) 10.416 13.799 ( -3.590 3.448 -6.194) 7.946 14.062 ( 3.632 4.102 8.780) 10.349 14.119 ( 2.939 14.783 12.197) 19.389 14.175 ( -1.110 6.644 5.300) 8.572 14.359 ( -3.197 8.872 3.649) 10.112 15.876 ( 1.274 5.069 6.248) 8.146 16.008 ( -2.536 2.632 10.742) 11.347 16.306 ( 0.875 -9.555 -8.143) 12.585 16.381 ( -1.276 -11.491 -3.986) 12.229 17.038 ( 2.105 -13.568 2.405) 13.939 17.235 ( 0.706 -11.113 -5.363) 12.359 17.263 ( -3.704 -13.362 3.071) 14.202 17.402 ( -3.422 -9.130 -0.819) 9.784 19.256 ( 4.052 -10.099 1.089) 10.936 19.347 ( 4.874 -7.724 -2.427) 9.451 19.717 ( -6.365 -9.516 2.031) 11.627 19.807 ( -6.209 -9.306 -1.405) 11.275 22.151 ( 0.601 17.969 0.250) 17.981 22.168 ( 0.337 18.151 0.219) 18.155 22.239 ( 3.697 15.468 0.956) 15.932 22.316 ( 1.934 16.261 -1.494) 16.443 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 8.601 18.322 3.653) 20.567 1.930 ( 7.866 21.361 -0.158) 22.764 2.027 ( -6.297 15.771 -0.446) 16.988 2.119 ( -10.321 15.051 -0.048) 18.250 2.182 ( -0.411 13.569 -0.391) 13.581 2.240 ( -5.113 11.970 0.239) 13.019 2.311 ( 4.392 15.296 -2.280) 16.076 2.453 ( -9.368 8.484 -1.894) 12.780 2.860 ( 1.723 11.132 -0.365) 11.271 2.885 ( -0.486 12.663 1.236) 12.733 2.973 ( 2.058 12.886 -3.450) 13.497 3.049 ( -6.298 14.392 -5.806) 16.748 3.299 ( 9.747 3.315 4.519) 11.244 3.430 ( 3.125 1.689 0.438) 3.579 3.472 ( 1.579 4.359 5.492) 7.187 3.581 ( 1.225 12.456 1.862) 12.654 3.624 ( -4.667 6.192 5.390) 9.443 3.637 ( -1.729 7.308 7.172) 10.385 3.871 ( 5.981 12.076 9.220) 16.328 3.894 ( 2.023 16.979 11.036) 20.351 4.279 ( 6.558 10.371 -2.394) 12.502 4.358 ( 0.231 17.757 -2.831) 17.983 4.378 ( 4.041 12.010 -2.001) 12.829 4.428 ( -7.157 20.714 -1.342) 21.956 4.497 ( 1.041 9.814 -9.611) 13.776 4.539 ( -7.803 11.505 -6.915) 15.526 4.726 ( -3.008 16.034 -3.695) 16.727 4.763 ( -5.889 14.382 -3.463) 15.922 4.875 ( 5.712 18.318 -2.738) 19.383 4.937 ( 1.460 14.558 -2.649) 14.869 5.108 ( 0.751 0.768 1.603) 1.930 5.146 ( -1.912 4.543 -0.447) 4.949 5.246 ( 2.012 3.867 2.432) 4.992 5.285 ( -2.493 4.233 0.201) 4.917 5.506 ( 5.777 6.630 4.574) 9.912 5.604 ( -4.901 1.952 1.906) 5.609 5.780 ( 4.856 -5.675 -8.206) 11.096 5.795 ( 2.979 -1.365 -7.502) 8.186 6.160 ( 0.700 0.745 5.524) 5.618 6.213 ( -4.699 0.423 2.677) 5.425 6.978 ( 2.731 -0.182 2.505) 3.711 7.073 ( -7.269 -1.323 -1.424) 7.524 7.471 ( 2.428 -5.952 0.978) 6.502 7.511 ( -1.713 -5.189 -0.430) 5.481 7.800 ( 4.484 2.437 -0.697) 5.151 7.856 ( 0.175 1.954 -1.228) 2.315 8.013 ( 0.357 -1.487 0.894) 1.771 8.064 ( -4.066 -5.410 0.465) 6.784 8.343 ( 3.307 -13.710 3.463) 14.522 8.355 ( 2.328 -14.028 3.278) 14.593 8.527 ( 4.626 -13.563 4.686) 15.077 8.550 ( 2.023 -16.113 2.852) 16.488 8.731 ( -0.638 -17.480 -7.417) 18.999 8.735 ( -1.364 -13.785 -1.351) 13.918 8.943 ( 8.351 -11.572 -2.335) 14.461 9.016 ( 2.730 -6.924 -1.687) 7.631 9.069 ( 0.460 -5.372 -1.924) 5.725 9.160 ( -5.858 -7.748 2.258) 9.972 9.283 ( -1.356 6.470 -3.417) 7.441 9.370 ( -8.275 3.257 -1.589) 9.034 9.531 ( 3.807 -0.408 -0.319) 3.842 9.628 ( -6.457 -0.798 -4.603) 7.970 9.763 ( -0.218 -2.086 3.561) 4.133 9.797 ( -3.257 -2.002 2.349) 4.487 10.478 ( 7.557 2.111 7.709) 10.999 10.607 ( -6.094 -1.238 4.322) 7.573 10.801 ( 0.306 3.738 2.198) 4.347 10.812 ( -0.965 4.918 1.020) 5.115 11.279 ( 6.495 -8.424 -4.462) 11.535 11.389 ( -6.033 -4.910 -1.950) 8.020 11.706 ( 3.194 4.068 -12.690) 13.703 11.779 ( -4.737 2.369 -10.362) 11.637 13.092 ( 12.772 14.757 3.804) 19.884 13.343 ( -13.526 13.098 -0.728) 18.843 13.594 ( 6.483 8.011 -12.493) 16.195 13.716 ( -5.896 6.670 -10.451) 13.729 14.119 ( 2.552 2.952 7.764) 8.690 14.152 ( -1.199 4.852 6.990) 8.593 14.192 ( 4.576 12.545 11.106) 17.368 14.282 ( -5.042 11.148 7.557) 14.381 15.909 ( 2.287 4.895 7.452) 9.204 15.957 ( -2.920 4.298 9.235) 10.597 16.326 ( 1.305 -10.709 -6.461) 12.575 16.353 ( -1.660 -11.216 -4.905) 12.354 17.094 ( 3.939 -13.355 2.130) 14.086 17.175 ( -4.917 -13.279 2.450) 14.370 17.270 ( 2.544 -10.601 -4.622) 11.841 17.331 ( -4.024 -9.768 -2.803) 10.930 19.366 ( 7.572 -8.328 0.426) 11.264 19.444 ( 3.442 -7.689 -3.256) 9.032 19.591 ( -4.682 -8.432 2.741) 10.026 19.666 ( -8.470 -8.231 -0.790) 11.837 22.166 ( 0.825 18.213 0.562) 18.241 22.174 ( 0.048 18.463 0.589) 18.472 22.305 ( 3.113 13.396 -0.196) 13.754 22.336 ( -0.156 13.629 -1.123) 13.676 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 0.000 20.697 -4.270) 21.133 2.244 ( 0.000 20.031 -7.208) 21.289 2.405 ( 0.000 14.202 -1.779) 14.313 2.455 ( 0.000 8.965 -4.674) 10.110 2.542 ( 0.000 20.826 4.563) 21.320 2.649 ( 0.000 19.384 3.786) 19.751 2.794 ( 0.000 7.349 7.002) 10.150 2.861 ( 0.000 2.495 1.141) 2.744 3.024 ( 0.000 8.783 -0.992) 8.839 3.118 ( 0.000 7.419 4.110) 8.481 3.127 ( 0.000 10.438 -3.886) 11.138 3.224 ( 0.000 5.786 1.377) 5.948 3.254 ( 0.000 2.857 10.320) 10.708 3.298 ( 0.000 3.941 2.333) 4.580 3.482 ( 0.000 3.961 -4.511) 6.003 3.633 ( 0.000 1.611 6.423) 6.621 3.713 ( 0.000 -3.034 3.148) 4.372 3.754 ( 0.000 4.093 -1.074) 4.232 3.927 ( 0.000 7.134 3.159) 7.803 4.044 ( 0.000 6.660 -1.863) 6.916 4.209 ( 0.000 9.694 -4.249) 10.584 4.398 ( 0.000 -4.393 -5.533) 7.065 4.520 ( 0.000 5.527 6.761) 8.733 4.870 ( 0.000 9.180 2.298) 9.463 4.905 ( 0.000 15.481 1.630) 15.567 4.915 ( 0.000 9.188 1.479) 9.306 4.981 ( 0.000 2.621 0.313) 2.640 5.148 ( 0.000 16.123 -2.722) 16.351 5.163 ( 0.000 14.460 0.676) 14.476 5.203 ( 0.000 10.646 -4.768) 11.665 5.259 ( 0.000 6.706 -1.599) 6.894 5.315 ( 0.000 11.921 0.514) 11.932 5.366 ( 0.000 10.902 -0.271) 10.906 5.486 ( 0.000 14.376 -8.945) 16.932 5.537 ( 0.000 0.699 -5.849) 5.890 5.671 ( 0.000 2.104 -7.670) 7.953 5.691 ( 0.000 17.466 1.455) 17.526 5.828 ( 0.000 12.989 -4.648) 13.796 6.179 ( 0.000 3.075 13.578) 13.922 6.380 ( 0.000 3.847 2.659) 4.676 7.037 ( 0.000 2.451 4.511) 5.133 7.162 ( 0.000 0.271 -5.312) 5.319 7.452 ( 0.000 -3.367 3.579) 4.914 7.500 ( 0.000 3.474 6.920) 7.743 7.734 ( 0.000 -11.580 -4.688) 12.493 7.797 ( 0.000 -1.725 -5.818) 6.068 7.817 ( 0.000 -19.835 4.276) 20.291 7.969 ( 0.000 -7.594 -2.289) 7.932 8.024 ( 0.000 -10.079 1.892) 10.255 8.084 ( 0.000 -11.365 2.727) 11.688 8.088 ( 0.000 -14.339 -6.176) 15.612 8.139 ( 0.000 -4.400 5.172) 6.791 8.216 ( 0.000 -19.131 -1.425) 19.184 8.273 ( 0.000 -20.272 -6.195) 21.197 8.628 ( 0.000 -1.242 1.985) 2.341 8.886 ( 0.000 -10.066 -9.990) 14.182 9.083 ( 0.000 -0.061 -1.296) 1.298 9.145 ( 0.000 5.663 -0.644) 5.700 9.498 ( 0.000 0.412 2.076) 2.117 9.522 ( 0.000 -5.330 3.963) 6.642 9.543 ( 0.000 -2.046 8.327) 8.575 9.717 ( 0.000 5.696 2.564) 6.246 9.782 ( 0.000 0.534 3.058) 3.104 9.956 ( 0.000 -0.882 -2.052) 2.234 10.469 ( 0.000 6.211 -2.922) 6.864 10.622 ( 0.000 -7.114 -6.952) 9.947 10.902 ( 0.000 -7.914 -0.630) 7.939 10.902 ( 0.000 5.508 16.305) 17.210 10.957 ( 0.000 1.957 -1.493) 2.462 11.530 ( 0.000 -2.345 4.730) 5.279 11.656 ( 0.000 0.349 -11.180) 11.185 11.844 ( 0.000 -3.276 -4.211) 5.335 13.136 ( 0.000 13.317 -1.088) 13.361 13.603 ( 0.000 8.200 -16.750) 18.650 13.699 ( 0.000 -0.128 -10.665) 10.666 13.788 ( 0.000 -2.139 -9.546) 9.783 14.182 ( 0.000 8.512 13.853) 16.259 14.341 ( 0.000 8.860 6.546) 11.015 14.395 ( 0.000 11.442 10.943) 15.832 14.486 ( 0.000 3.115 9.843) 10.324 16.017 ( 0.000 10.173 0.347) 10.179 16.135 ( 0.000 8.100 2.685) 8.533 16.183 ( 0.000 -2.183 -4.491) 4.993 16.249 ( 0.000 -3.712 -1.884) 4.163 16.760 ( 0.000 -12.283 3.198) 12.693 16.999 ( 0.000 -11.566 -6.277) 13.160 17.025 ( 0.000 -14.421 5.441) 15.414 17.250 ( 0.000 -9.989 -2.407) 10.275 18.988 ( 0.000 -11.061 1.633) 11.181 19.099 ( 0.000 -11.723 -2.670) 12.023 19.494 ( 0.000 -17.309 1.904) 17.413 19.574 ( 0.000 -18.125 -1.203) 18.165 22.516 ( 0.000 18.195 -0.056) 18.195 22.518 ( 0.000 18.376 -0.313) 18.379 22.576 ( 0.000 18.603 1.648) 18.675 22.643 ( 0.000 16.458 -0.997) 16.488 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 2.186 19.774 -3.581) 20.214 2.271 ( 2.350 19.472 -5.639) 20.408 2.377 ( -2.291 13.436 -1.224) 13.684 2.438 ( -1.381 11.747 -3.283) 12.275 2.510 ( -3.353 17.367 2.680) 17.890 2.628 ( -6.197 16.500 1.580) 17.696 2.675 ( -6.157 10.773 6.570) 14.040 2.774 ( -5.355 9.648 4.064) 11.759 3.046 ( -0.895 9.140 -0.975) 9.235 3.101 ( 1.396 6.260 0.918) 6.479 3.174 ( 3.663 11.768 -3.130) 12.716 3.211 ( 3.774 5.735 4.982) 8.483 3.329 ( 2.099 2.536 -3.598) 4.876 3.425 ( -2.785 7.625 -4.111) 9.100 3.500 ( 11.294 0.332 6.668) 13.120 3.662 ( 3.850 0.206 8.401) 9.243 3.697 ( 0.660 -2.068 3.983) 4.536 3.752 ( -1.032 2.005 1.158) 2.536 3.840 ( -4.782 3.693 4.775) 7.701 4.145 ( 6.101 9.795 1.887) 11.693 4.270 ( 6.045 4.841 -5.112) 9.280 4.426 ( 3.002 -3.183 -7.157) 8.388 4.545 ( 2.274 8.048 5.528) 10.025 4.733 ( -8.275 7.895 0.139) 11.438 4.882 ( -7.135 3.425 3.929) 8.836 4.918 ( -2.162 14.229 -3.028) 14.708 5.020 ( 0.896 2.878 2.168) 3.713 5.073 ( -1.321 17.722 -2.506) 17.947 5.121 ( -1.201 16.833 0.512) 16.883 5.220 ( -0.930 14.376 -1.096) 14.448 5.282 ( 0.073 11.654 -4.675) 12.557 5.324 ( -2.023 8.333 -3.375) 9.215 5.351 ( 2.627 9.536 0.126) 9.892 5.458 ( -0.970 12.832 -4.507) 13.635 5.564 ( 0.537 2.145 -4.403) 4.927 5.655 ( -1.166 1.802 -6.326) 6.680 5.755 ( 5.932 15.634 -0.074) 16.722 5.880 ( 4.383 13.171 -3.773) 14.385 6.183 ( 0.887 4.137 11.459) 12.215 6.352 ( -2.865 4.885 3.254) 6.531 7.010 ( -2.054 2.660 3.990) 5.217 7.157 ( -2.335 -0.497 -4.248) 4.873 7.392 ( -3.148 -1.823 2.532) 4.432 7.502 ( -2.060 1.477 1.941) 3.192 7.687 ( 0.364 -9.041 -1.783) 9.222 7.778 ( -1.550 -12.798 1.744) 13.009 7.853 ( 1.057 -16.123 0.886) 16.182 7.989 ( 2.443 -6.597 -5.750) 9.086 8.006 ( -3.083 -13.215 3.935) 14.129 8.122 ( 0.990 -8.486 0.783) 8.579 8.139 ( 2.363 -22.137 -6.698) 23.249 8.178 ( 5.438 -8.477 1.886) 10.247 8.263 ( 1.988 -22.273 -2.106) 22.461 8.309 ( 9.032 -1.743 -1.213) 9.278 8.682 ( 5.275 -2.561 1.495) 6.052 8.910 ( 2.431 -8.620 -6.791) 11.240 9.088 ( -0.254 0.180 -0.212) 0.377 9.127 ( -1.222 4.832 0.882) 5.062 9.465 ( -4.653 0.457 4.876) 6.755 9.489 ( -1.228 -3.198 0.870) 3.534 9.544 ( -0.103 2.427 1.641) 2.932 9.720 ( -0.386 0.547 5.844) 5.883 9.730 ( -5.321 0.422 -2.398) 5.852 9.906 ( -4.639 0.842 -0.894) 4.799 10.486 ( 1.339 4.608 0.036) 4.799 10.603 ( -1.687 -5.739 -2.147) 6.356 10.818 ( -3.495 -3.456 5.852) 7.642 10.922 ( -3.254 1.329 -1.430) 3.795 11.025 ( 7.434 -1.208 6.172) 9.738 11.457 ( -6.611 -1.733 2.833) 7.399 11.697 ( 3.364 0.588 -9.622) 10.210 11.834 ( -1.070 -2.203 -5.350) 5.884 13.187 ( 5.547 12.307 -1.294) 13.561 13.638 ( -3.773 0.741 -10.293) 10.988 13.645 ( 1.956 7.125 -15.112) 16.822 13.804 ( 0.766 -0.740 -11.114) 11.165 14.190 ( 1.009 8.128 13.200) 15.534 14.327 ( -2.295 8.102 6.652) 10.731 14.388 ( 0.644 10.789 12.710) 16.684 14.488 ( -0.287 4.768 9.482) 10.617 16.026 ( 0.929 9.928 0.631) 9.992 16.121 ( -1.478 8.079 2.510) 8.588 16.188 ( 0.497 -1.887 -3.807) 4.278 16.242 ( -0.817 -3.286 -1.877) 3.871 16.780 ( 2.110 -12.374 3.056) 12.919 16.987 ( -3.660 -13.983 4.655) 15.186 17.013 ( 1.479 -11.410 -5.767) 12.870 17.215 ( -3.635 -9.901 -2.979) 10.960 19.033 ( 4.796 -11.423 1.487) 12.478 19.140 ( 4.252 -12.196 -2.745) 13.205 19.447 ( -4.969 -16.540 2.099) 17.397 19.528 ( -4.819 -17.376 -1.178) 18.070 22.517 ( 0.647 18.200 0.274) 18.214 22.537 ( 1.193 18.271 -0.639) 18.321 22.584 ( 0.980 17.780 1.577) 17.877 22.646 ( 0.179 16.141 -0.940) 16.169 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 3.042 16.738 -0.453) 17.019 2.292 ( -2.021 14.787 -0.798) 14.946 2.344 ( 0.818 17.565 0.589) 17.594 2.413 ( -3.104 15.348 -3.079) 15.958 2.462 ( -0.601 13.947 0.432) 13.966 2.493 ( -2.986 13.809 0.428) 14.134 2.645 ( -0.415 16.202 1.651) 16.291 2.681 ( -4.245 14.612 2.136) 15.366 3.047 ( 1.367 7.923 -1.344) 8.151 3.087 ( -2.488 7.779 -0.990) 8.227 3.243 ( 3.502 13.378 -3.466) 14.257 3.298 ( -2.842 9.404 -4.919) 10.986 3.329 ( 7.811 1.470 4.095) 8.941 3.441 ( -1.562 -0.121 1.489) 2.161 3.546 ( 2.180 4.224 2.060) 5.180 3.651 ( -6.338 1.914 -0.633) 6.651 3.704 ( 1.453 0.624 8.612) 8.756 3.745 ( -1.771 1.438 7.800) 8.127 3.980 ( 16.139 -1.402 8.771) 18.422 4.178 ( -3.890 5.810 7.260) 10.079 4.382 ( 5.557 0.337 -3.011) 6.329 4.498 ( -3.728 -3.798 -2.847) 6.035 4.521 ( 2.992 2.876 -7.148) 8.265 4.661 ( -5.647 2.380 -4.014) 7.326 4.728 ( 1.601 17.126 1.675) 17.282 4.863 ( -7.605 18.423 -0.627) 19.941 4.988 ( 1.212 13.512 1.655) 13.667 5.046 ( -3.118 11.993 -0.379) 12.397 5.173 ( 3.164 9.457 1.260) 10.051 5.200 ( 0.908 10.639 -0.529) 10.691 5.274 ( -1.552 12.004 -2.714) 12.405 5.293 ( -1.229 13.346 -6.545) 14.916 5.400 ( 2.232 10.588 -0.787) 10.849 5.435 ( -1.655 12.620 -1.629) 12.832 5.580 ( 1.752 1.199 -4.145) 4.657 5.621 ( -2.454 -0.014 -5.179) 5.731 5.869 ( 5.608 14.183 -0.399) 15.256 5.927 ( -0.252 13.423 -1.487) 13.508 6.224 ( 3.458 5.862 7.716) 10.289 6.290 ( -3.676 6.404 5.203) 9.033 6.994 ( 1.091 2.065 1.668) 2.870 7.063 ( -6.118 0.862 -0.910) 6.245 7.391 ( 2.197 -2.717 -2.255) 4.159 7.444 ( -3.437 -2.251 -3.057) 5.121 7.750 ( 4.718 -8.150 3.809) 10.158 7.775 ( 0.823 -14.788 2.702) 15.056 7.842 ( -0.661 -16.770 1.694) 16.868 7.906 ( -6.362 -8.691 3.705) 11.390 8.061 ( 3.728 -11.891 -4.728) 13.329 8.110 ( -1.737 -11.169 -1.246) 11.372 8.175 ( 2.163 -24.464 -7.099) 25.565 8.210 ( -1.162 -20.562 -6.166) 21.498 8.380 ( 7.862 -2.491 4.258) 9.281 8.445 ( 2.413 -1.197 1.639) 3.154 8.806 ( 8.126 -4.621 1.335) 9.443 8.923 ( -3.039 -6.041 -1.324) 6.891 9.083 ( 1.396 1.459 2.222) 3.002 9.117 ( -1.112 2.112 1.293) 2.715 9.393 ( -0.644 4.301 1.627) 4.643 9.454 ( -5.032 3.857 -3.325) 7.159 9.543 ( 2.424 -0.621 0.828) 2.636 9.622 ( -5.768 -1.134 -5.926) 8.347 9.732 ( 2.694 -0.755 3.405) 4.407 9.811 ( -5.470 1.445 0.213) 5.661 10.514 ( 2.145 0.480 5.112) 5.565 10.563 ( -2.840 -2.624 4.484) 5.921 10.795 ( 1.313 -4.167 1.914) 4.770 10.850 ( -4.117 -1.393 -0.579) 4.385 11.169 ( 8.365 -1.138 3.574) 9.168 11.320 ( -8.233 -1.253 2.416) 8.671 11.757 ( 3.079 0.828 -9.016) 9.563 11.805 ( -2.167 -0.194 -7.557) 7.864 13.325 ( 9.242 9.324 -2.591) 13.382 13.498 ( -9.345 4.802 -5.529) 11.873 13.730 ( 4.725 4.339 -15.688) 16.949 13.794 ( -2.075 1.544 -13.607) 13.851 14.221 ( 2.313 7.497 11.790) 14.162 14.271 ( -3.201 7.696 9.826) 12.885 14.422 ( 2.553 9.123 11.581) 14.963 14.466 ( -2.094 7.078 10.208) 12.597 16.050 ( 1.763 9.273 1.379) 9.539 16.087 ( -2.143 8.510 2.130) 9.030 16.202 ( 1.029 -1.814 -2.719) 3.427 16.223 ( -1.198 -2.406 -2.059) 3.386 16.833 ( 3.705 -12.753 3.051) 13.627 16.909 ( -4.562 -13.390 3.770) 14.640 17.057 ( 3.460 -10.668 -5.302) 12.405 17.134 ( -4.791 -10.024 -4.196) 11.876 19.147 ( 7.261 -12.539 0.820) 14.513 19.226 ( 2.675 -13.236 -2.781) 13.787 19.347 ( -3.422 -14.984 2.440) 15.562 19.416 ( -6.997 -15.680 -0.806) 17.189 22.534 ( 0.988 18.082 0.433) 18.114 22.546 ( -0.245 18.262 0.096) 18.264 22.613 ( 1.971 16.305 0.323) 16.427 22.641 ( -0.896 15.815 -0.591) 15.851 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 13.218 -5.471) 14.305 2.525 ( 0.000 8.176 -6.117) 10.211 2.615 ( 0.000 7.393 -2.035) 7.668 2.664 ( 0.000 12.575 -5.348) 13.664 2.855 ( 0.000 3.675 7.942) 8.751 2.904 ( 0.000 3.017 4.535) 5.447 3.000 ( 0.000 21.847 5.423) 22.510 3.042 ( 0.000 14.549 6.330) 15.867 3.125 ( 0.000 2.932 -1.582) 3.332 3.251 ( 0.000 -0.733 3.303) 3.383 3.278 ( 0.000 9.573 1.372) 9.670 3.291 ( 0.000 4.835 2.859) 5.617 3.357 ( 0.000 6.399 3.384) 7.238 3.386 ( 0.000 4.764 -2.216) 5.254 3.500 ( 0.000 -1.298 3.717) 3.937 3.655 ( 0.000 1.034 2.109) 2.349 3.682 ( 0.000 -0.302 3.367) 3.380 3.765 ( 0.000 -3.018 0.027) 3.018 3.980 ( 0.000 1.880 -4.019) 4.437 4.152 ( 0.000 4.429 -8.625) 9.696 4.265 ( 0.000 -7.714 -1.088) 7.791 4.271 ( 0.000 -0.503 -0.829) 0.970 4.643 ( 0.000 -5.111 3.242) 6.052 4.730 ( 0.000 -11.540 1.392) 11.624 4.949 ( 0.000 8.457 3.210) 9.046 5.155 ( 0.000 9.496 4.567) 10.537 5.221 ( 0.000 13.608 0.438) 13.615 5.312 ( 0.000 0.397 0.052) 0.400 5.395 ( 0.000 5.408 -3.937) 6.689 5.472 ( 0.000 12.688 -2.253) 12.887 5.475 ( 0.000 13.600 -3.693) 14.092 5.533 ( 0.000 6.058 -0.668) 6.094 5.543 ( 0.000 8.435 -0.041) 8.435 5.663 ( 0.000 11.996 1.495) 12.089 5.712 ( 0.000 3.648 -5.235) 6.380 5.760 ( 0.000 10.401 -7.401) 12.766 6.015 ( 0.000 14.921 -0.731) 14.939 6.103 ( 0.000 14.244 -2.913) 14.539 6.323 ( 0.000 9.677 11.300) 14.877 6.479 ( 0.000 5.304 5.356) 7.538 7.077 ( 0.000 0.505 -1.927) 1.992 7.168 ( 0.000 -1.172 -7.239) 7.334 7.387 ( 0.000 -18.504 -0.507) 18.510 7.394 ( 0.000 -2.292 4.391) 4.953 7.483 ( 0.000 -11.944 2.923) 12.297 7.548 ( 0.000 -24.237 -5.307) 24.811 7.574 ( 0.000 -22.590 -0.346) 22.593 7.622 ( 0.000 6.636 4.646) 8.101 7.700 ( 0.000 -11.010 -6.133) 12.603 7.879 ( 0.000 0.033 -5.425) 5.425 8.005 ( 0.000 -1.200 1.212) 1.706 8.037 ( 0.000 -1.447 0.425) 1.508 8.209 ( 0.000 6.937 2.392) 7.338 8.314 ( 0.000 6.819 -2.728) 7.345 8.624 ( 0.000 0.785 1.189) 1.425 8.678 ( 0.000 -10.127 -3.443) 10.696 9.072 ( 0.000 -0.493 -1.404) 1.488 9.228 ( 0.000 1.937 -3.727) 4.201 9.389 ( 0.000 -5.930 7.098) 9.249 9.488 ( 0.000 -1.692 1.173) 2.059 9.551 ( 0.000 1.018 3.605) 3.746 9.748 ( 0.000 -3.934 -3.837) 5.495 9.799 ( 0.000 1.141 4.017) 4.176 9.906 ( 0.000 -2.818 0.897) 2.957 10.504 ( 0.000 -3.570 -2.686) 4.467 10.520 ( 0.000 -0.221 -2.766) 2.775 10.760 ( 0.000 -5.522 4.401) 7.062 10.930 ( 0.000 -4.117 -2.455) 4.794 11.075 ( 0.000 11.060 14.994) 18.631 11.503 ( 0.000 0.037 5.496) 5.496 11.625 ( 0.000 -3.744 -4.233) 5.652 11.760 ( 0.000 -5.327 -0.873) 5.398 13.370 ( 0.000 10.741 -8.116) 13.462 13.669 ( 0.000 0.310 -15.080) 15.083 13.709 ( 0.000 0.752 -13.079) 13.100 13.788 ( 0.000 0.304 -13.259) 13.263 14.345 ( 0.000 7.787 13.976) 15.998 14.480 ( 0.000 5.104 7.244) 8.861 14.536 ( 0.000 2.291 11.897) 12.116 14.556 ( 0.000 4.838 9.904) 11.022 16.205 ( 0.000 3.283 -0.786) 3.375 16.238 ( 0.000 2.696 1.111) 2.916 16.240 ( 0.000 11.586 -2.501) 11.853 16.331 ( 0.000 11.356 -2.350) 11.596 16.548 ( 0.000 -9.002 3.320) 9.594 16.750 ( 0.000 -13.055 6.399) 14.539 16.789 ( 0.000 -9.381 -5.841) 11.051 17.043 ( 0.000 -10.960 -4.419) 11.817 18.804 ( 0.000 -7.245 1.087) 7.326 18.880 ( 0.000 -9.712 -1.887) 9.894 19.155 ( 0.000 -15.794 1.434) 15.859 19.213 ( 0.000 -17.195 -0.848) 17.216 22.830 ( 0.000 12.721 -0.005) 12.721 22.831 ( 0.000 12.935 0.001) 12.935 22.893 ( 0.000 12.922 0.690) 12.941 22.920 ( 0.000 11.297 -0.338) 11.302 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -0.734 10.222 -4.317) 11.121 2.560 ( 1.807 10.175 -7.178) 12.582 2.607 ( 1.590 11.271 -0.039) 11.383 2.709 ( 2.686 13.792 -4.018) 14.614 2.760 ( -6.790 6.605 4.095) 10.320 2.854 ( -5.161 6.912 3.225) 9.210 2.967 ( -3.188 18.626 5.813) 19.770 3.034 ( -1.279 14.664 5.934) 15.870 3.171 ( 3.613 2.730 0.138) 4.531 3.206 ( -2.399 7.239 -1.818) 7.840 3.319 ( -1.656 5.041 1.971) 5.660 3.341 ( 4.086 -0.227 -4.295) 5.933 3.399 ( 5.830 5.233 3.927) 8.763 3.457 ( 6.635 0.462 2.788) 7.212 3.495 ( 1.351 -0.606 6.267) 6.440 3.664 ( 0.987 0.093 2.174) 2.389 3.678 ( -0.380 -0.985 3.509) 3.665 3.753 ( -0.531 -0.976 1.476) 1.847 3.905 ( -5.446 3.916 -0.274) 6.713 4.204 ( 2.352 -0.024 -2.429) 3.382 4.263 ( 1.893 -4.069 -3.695) 5.813 4.334 ( 4.628 -4.656 -3.322) 7.357 4.581 ( -6.715 -8.148 2.548) 10.862 4.692 ( -3.843 -9.503 -0.646) 10.271 4.982 ( 4.037 13.026 3.288) 14.028 5.137 ( -2.265 9.638 4.159) 10.738 5.246 ( 1.242 13.757 -2.350) 14.012 5.282 ( -1.110 2.766 2.894) 4.154 5.375 ( -4.342 9.926 -2.070) 11.030 5.414 ( 0.768 5.232 -7.170) 8.909 5.502 ( -1.630 10.372 -1.282) 10.577 5.534 ( -1.222 9.249 -1.390) 9.432 5.554 ( 2.572 9.671 -1.392) 10.104 5.659 ( -0.210 10.601 1.705) 10.740 5.689 ( -2.196 3.186 -4.685) 6.076 5.751 ( -1.260 9.739 -5.555) 11.283 6.063 ( 4.971 14.466 -0.071) 15.296 6.156 ( 4.605 13.976 -1.443) 14.786 6.331 ( 1.047 9.420 10.123) 13.868 6.467 ( -1.305 5.949 5.343) 8.102 7.065 ( -0.990 1.963 -1.125) 2.469 7.160 ( -1.270 -0.313 -5.168) 5.331 7.330 ( -3.340 -8.629 -0.703) 9.279 7.396 ( -2.789 -12.572 -1.387) 12.952 7.472 ( -0.316 -11.003 3.640) 11.593 7.521 ( -3.717 -15.848 -2.243) 16.431 7.548 ( -0.456 -22.910 -2.227) 23.022 7.621 ( -1.985 -4.855 0.618) 5.282 7.673 ( 1.940 -7.546 -1.096) 7.868 7.926 ( -0.197 -5.645 -1.734) 5.909 7.985 ( 0.339 0.427 -3.381) 3.425 8.064 ( 1.692 -2.363 -1.860) 3.450 8.301 ( 9.312 8.006 2.913) 12.622 8.402 ( 8.430 6.707 -1.551) 10.883 8.661 ( 3.466 0.163 1.089) 3.637 8.727 ( 4.914 -8.424 -1.798) 9.917 9.080 ( 0.806 -0.631 -0.548) 1.161 9.208 ( -2.525 2.550 -0.129) 3.591 9.381 ( 0.220 -5.977 1.945) 6.289 9.474 ( -1.470 -0.587 1.910) 2.481 9.571 ( 1.878 0.139 1.066) 2.164 9.702 ( -5.209 -4.300 -5.053) 8.436 9.736 ( -5.156 1.175 5.272) 7.467 9.892 ( -2.506 -2.045 0.725) 3.315 10.482 ( -1.350 -2.623 -0.200) 2.957 10.548 ( 2.133 -0.726 -1.199) 2.552 10.703 ( -4.807 -5.350 5.128) 8.833 10.886 ( -4.654 -4.382 -2.343) 6.808 11.127 ( 5.011 9.348 12.415) 16.329 11.451 ( -4.804 1.418 4.998) 7.076 11.667 ( 3.453 -3.971 -3.615) 6.385 11.764 ( 0.254 -5.040 -1.619) 5.300 13.401 ( 3.320 9.750 -8.198) 13.164 13.657 ( -2.735 1.318 -11.990) 12.369 13.710 ( 1.684 0.324 -15.296) 15.392 13.799 ( 0.627 -0.597 -13.848) 13.875 14.352 ( 0.882 7.844 13.628) 15.749 14.467 ( -1.831 5.693 8.539) 10.425 14.525 ( 0.114 3.616 11.433) 11.992 14.568 ( 0.438 3.242 9.690) 10.227 16.205 ( -0.053 3.448 -0.438) 3.476 16.224 ( -0.729 5.336 0.014) 5.385 16.258 ( 1.245 8.978 -1.272) 9.153 16.325 ( -0.687 11.297 -2.214) 11.532 16.564 ( 1.661 -9.300 3.332) 10.017 16.723 ( -2.775 -12.432 5.955) 14.062 16.807 ( 2.011 -9.231 -5.791) 11.081 17.014 ( -3.119 -10.495 -4.694) 11.912 18.836 ( 3.356 -8.061 1.026) 8.792 18.909 ( 3.057 -10.345 -1.912) 10.956 19.122 ( -3.401 -15.063 1.549) 15.520 19.182 ( -3.307 -16.512 -0.839) 16.861 22.830 ( 0.497 12.931 0.304) 12.944 22.848 ( 1.198 12.599 -0.489) 12.665 22.890 ( -0.210 12.601 0.901) 12.635 22.921 ( -0.036 11.231 -0.368) 11.237 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 2.639 11.250 -2.750) 11.878 2.565 ( -2.737 11.644 -5.080) 12.996 2.653 ( 1.397 11.913 2.530) 12.259 2.686 ( 3.777 11.900 -0.027) 12.485 2.730 ( -4.413 8.933 -0.283) 9.968 2.764 ( -3.170 17.701 -0.607) 17.993 2.926 ( 0.846 12.924 2.426) 13.177 2.988 ( -4.007 14.684 2.293) 15.392 3.180 ( 0.189 6.177 0.035) 6.180 3.200 ( -1.372 4.194 -1.259) 4.589 3.338 ( 4.464 0.593 3.010) 5.416 3.403 ( 0.553 0.429 -2.007) 2.126 3.439 ( 0.395 1.862 3.479) 3.966 3.474 ( -0.203 6.229 1.451) 6.399 3.603 ( 3.205 -0.911 0.611) 3.387 3.641 ( -2.430 -4.491 -0.776) 5.165 3.703 ( 3.044 0.127 5.541) 6.323 3.769 ( -2.515 4.145 2.077) 5.275 3.910 ( 11.167 -2.996 9.302) 14.840 4.140 ( -9.941 -6.637 7.081) 13.893 4.338 ( 4.232 -2.895 -3.716) 6.332 4.384 ( -0.569 -6.006 -2.214) 6.427 4.496 ( 1.390 -4.826 -4.021) 6.433 4.593 ( -6.820 -7.179 -4.232) 10.768 5.067 ( 4.170 13.260 1.512) 13.982 5.107 ( -0.942 8.359 2.245) 8.706 5.231 ( -0.306 9.841 -0.469) 9.857 5.269 ( -3.770 12.017 -1.311) 12.663 5.342 ( 3.403 10.040 1.311) 10.682 5.428 ( -4.653 10.223 -2.351) 11.475 5.466 ( 2.654 6.058 -3.949) 7.703 5.513 ( -1.548 6.278 -4.857) 8.088 5.592 ( 1.823 9.102 -1.369) 9.383 5.634 ( -2.571 7.210 -2.253) 7.979 5.679 ( 1.491 6.629 -1.085) 6.881 5.716 ( -2.332 8.120 -2.846) 8.915 6.162 ( 4.947 13.937 1.594) 14.874 6.210 ( 0.204 13.842 1.591) 13.935 6.371 ( 3.329 8.248 7.172) 11.426 6.430 ( -2.806 7.140 5.699) 9.557 7.061 ( 1.160 4.184 -0.257) 4.349 7.111 ( -3.744 3.419 -0.963) 5.161 7.298 ( 0.108 -9.911 -5.983) 11.577 7.329 ( -3.212 -11.632 -5.732) 13.359 7.467 ( -0.351 -12.714 1.906) 12.861 7.472 ( -1.276 -13.697 -0.574) 13.768 7.556 ( 1.114 -20.675 -0.237) 20.707 7.583 ( -1.822 -16.490 0.167) 16.592 7.747 ( 5.314 -3.090 1.109) 6.246 7.851 ( -5.792 -4.314 1.724) 7.424 8.030 ( 2.954 -2.663 -6.725) 7.813 8.071 ( -1.134 -3.585 -5.541) 6.696 8.477 ( 8.153 8.827 2.618) 12.298 8.533 ( 3.168 7.489 0.465) 8.144 8.737 ( 4.919 -1.929 2.166) 5.710 8.795 ( 0.480 -5.487 0.980) 5.594 9.103 ( 2.005 -0.124 0.738) 2.140 9.152 ( -3.108 1.247 1.812) 3.808 9.415 ( 3.805 -4.143 -3.166) 6.455 9.465 ( 0.534 -1.200 -4.094) 4.299 9.565 ( -3.434 1.176 1.687) 4.003 9.574 ( -6.936 -1.128 -0.488) 7.044 9.707 ( 3.359 -2.297 2.519) 4.786 9.807 ( -6.258 -2.336 0.558) 6.703 10.482 ( 1.698 -1.702 4.134) 4.782 10.538 ( -3.661 -0.257 4.977) 6.184 10.682 ( 3.744 -5.931 0.031) 7.014 10.782 ( -6.299 -4.951 -1.664) 8.183 11.233 ( 6.402 6.787 8.774) 12.808 11.349 ( -6.258 4.082 6.200) 9.708 11.726 ( 2.748 -4.193 -3.600) 6.172 11.760 ( -0.966 -4.521 -2.948) 5.483 13.482 ( 5.358 7.137 -8.739) 12.491 13.581 ( -5.215 3.975 -10.014) 11.970 13.757 ( 2.800 -0.966 -15.445) 15.726 13.795 ( -1.226 -1.369 -14.765) 14.879 14.378 ( 2.010 7.681 12.653) 14.938 14.422 ( -2.691 6.929 11.079) 13.341 14.542 ( 1.356 3.366 10.241) 10.865 14.564 ( -0.872 2.952 9.708) 10.184 16.206 ( 0.205 3.830 0.181) 3.840 16.212 ( -0.533 4.368 0.366) 4.416 16.283 ( 1.430 10.162 -1.564) 10.381 16.308 ( -1.229 10.974 -1.893) 11.204 16.605 ( 2.822 -10.125 3.755) 11.161 16.663 ( -3.502 -11.230 4.839) 12.720 16.861 ( 3.912 -9.096 -5.627) 11.389 16.941 ( -4.597 -9.578 -5.235) 11.844 18.916 ( 5.121 -10.033 0.669) 11.284 18.972 ( 2.003 -11.490 -1.859) 11.811 19.053 ( -2.388 -13.669 1.700) 13.980 19.103 ( -4.927 -14.825 -0.624) 15.635 22.844 ( 0.959 12.913 0.330) 12.953 22.858 ( -0.342 12.883 -0.194) 12.889 22.896 ( 1.014 11.567 0.448) 11.620 22.914 ( -0.742 11.177 -0.232) 11.204 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 0.000 2.531 -3.884) 4.636 2.637 ( 0.000 1.353 -4.122) 4.338 2.759 ( 0.000 6.154 1.223) 6.274 2.817 ( 0.000 1.526 -0.404) 1.579 2.916 ( 0.000 2.639 3.171) 4.125 2.930 ( 0.000 0.913 1.685) 1.917 3.155 ( 0.000 2.670 -0.565) 2.729 3.212 ( 0.000 -2.685 -1.625) 3.138 3.278 ( 0.000 7.291 5.851) 9.348 3.337 ( 0.000 2.545 6.818) 7.277 3.411 ( 0.000 1.778 0.091) 1.780 3.418 ( 0.000 15.504 0.837) 15.527 3.439 ( 0.000 -1.671 1.098) 1.999 3.510 ( 0.000 10.075 5.331) 11.399 3.517 ( 0.000 5.831 1.958) 6.151 3.636 ( 0.000 -4.539 -0.041) 4.539 3.659 ( 0.000 -6.977 0.915) 7.036 3.659 ( 0.000 -3.317 5.919) 6.785 4.026 ( 0.000 2.865 -1.899) 3.438 4.117 ( 0.000 -6.533 -1.674) 6.744 4.216 ( 0.000 2.312 -8.976) 9.269 4.263 ( 0.000 -1.392 -6.411) 6.560 4.482 ( 0.000 -4.150 1.684) 4.479 4.535 ( 0.000 -7.410 0.078) 7.410 5.141 ( 0.000 7.203 4.014) 8.246 5.225 ( 0.000 -1.949 3.743) 4.220 5.360 ( 0.000 4.906 -0.618) 4.945 5.429 ( 0.000 -1.485 -3.765) 4.047 5.454 ( 0.000 10.465 3.605) 11.069 5.585 ( 0.000 -1.392 0.522) 1.486 5.612 ( 0.000 2.878 -0.598) 2.940 5.628 ( 0.000 1.193 0.261) 1.222 5.706 ( 0.000 7.495 -1.735) 7.693 5.770 ( 0.000 0.979 -3.560) 3.692 5.859 ( 0.000 6.640 -0.606) 6.668 5.898 ( 0.000 2.756 -3.365) 4.350 6.267 ( 0.000 10.303 -0.088) 10.304 6.336 ( 0.000 6.299 -0.518) 6.320 6.496 ( 0.000 6.712 8.149) 10.557 6.547 ( 0.000 0.932 6.604) 6.669 6.986 ( 0.000 -6.611 -5.525) 8.616 7.047 ( 0.000 -11.778 -3.687) 12.342 7.117 ( 0.000 -4.208 -6.339) 7.608 7.163 ( 0.000 -10.654 -6.696) 12.584 7.370 ( 0.000 -1.327 1.338) 1.884 7.370 ( 0.000 -1.105 1.645) 1.982 7.382 ( 0.000 1.989 3.302) 3.855 7.496 ( 0.000 -8.182 -2.290) 8.497 7.811 ( 0.000 9.059 -1.487) 9.180 7.897 ( 0.000 0.502 -3.435) 3.472 7.998 ( 0.000 -1.994 0.586) 2.079 8.000 ( 0.000 -1.397 -0.579) 1.512 8.332 ( 0.000 4.737 0.651) 4.782 8.394 ( 0.000 -0.968 -3.541) 3.671 8.569 ( 0.000 1.386 3.192) 3.480 8.627 ( 0.000 -1.678 1.285) 2.113 9.100 ( 0.000 3.943 -4.196) 5.758 9.200 ( 0.000 -4.572 -6.601) 8.030 9.330 ( 0.000 0.891 2.136) 2.315 9.416 ( 0.000 -5.780 -0.065) 5.780 9.573 ( 0.000 1.326 4.393) 4.589 9.625 ( 0.000 -4.998 0.428) 5.016 9.829 ( 0.000 1.914 3.760) 4.219 9.868 ( 0.000 -1.818 2.963) 3.476 10.475 ( 0.000 0.013 1.216) 1.216 10.495 ( 0.000 -1.694 0.429) 1.748 10.726 ( 0.000 2.282 2.369) 3.289 10.820 ( 0.000 -6.201 -1.196) 6.316 11.304 ( 0.000 11.484 9.943) 15.190 11.505 ( 0.000 -8.451 3.049) 8.985 11.541 ( 0.000 3.741 4.479) 5.836 11.642 ( 0.000 -6.139 2.342) 6.571 13.558 ( 0.000 8.012 -13.476) 15.677 13.658 ( 0.000 -1.912 -15.482) 15.599 13.723 ( 0.000 0.817 -13.547) 13.572 13.758 ( 0.000 -2.732 -13.516) 13.790 14.475 ( 0.000 5.057 12.161) 13.171 14.530 ( 0.000 -0.218 9.508) 9.510 14.579 ( 0.000 1.902 10.779) 10.946 14.600 ( 0.000 0.134 9.489) 9.490 16.290 ( 0.000 5.441 1.655) 5.687 16.330 ( 0.000 5.634 3.471) 6.618 16.401 ( 0.000 -5.744 2.445) 6.242 16.423 ( 0.000 2.560 -2.287) 3.433 16.518 ( 0.000 1.288 1.090) 1.687 16.601 ( 0.000 7.575 -1.166) 7.665 16.631 ( 0.000 -7.068 -4.836) 8.564 16.820 ( 0.000 -11.630 -5.010) 12.663 18.714 ( 0.000 -1.722 0.387) 1.765 18.740 ( 0.000 -4.313 -0.591) 4.353 18.928 ( 0.000 -5.962 0.523) 5.985 18.951 ( 0.000 -8.149 -0.350) 8.156 23.002 ( 0.000 4.579 0.038) 4.579 23.004 ( 0.000 4.451 -0.018) 4.451 23.068 ( 0.000 4.604 0.269) 4.611 23.073 ( 0.000 3.959 0.064) 3.960 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 1.434 4.708 -3.521) 6.051 2.667 ( 2.566 1.040 -4.704) 5.459 2.799 ( 4.008 7.174 1.954) 8.447 2.857 ( -2.513 2.919 1.669) 4.198 2.893 ( 1.399 3.825 -3.777) 5.555 2.910 ( 1.587 -0.201 2.634) 3.081 3.187 ( 1.974 3.545 0.530) 4.092 3.238 ( 0.653 -0.148 -0.121) 0.680 3.283 ( 1.673 4.110 2.606) 5.146 3.341 ( -0.319 0.828 4.497) 4.583 3.357 ( -3.726 15.737 4.815) 16.873 3.410 ( -1.989 4.183 -0.136) 4.634 3.412 ( -1.532 0.381 -0.537) 1.668 3.462 ( -2.507 1.485 4.636) 5.476 3.577 ( -1.471 -4.282 0.835) 4.604 3.598 ( -1.781 -0.254 2.214) 2.853 3.631 ( 2.768 -1.109 4.471) 5.374 3.730 ( 5.008 -3.151 5.574) 8.129 3.999 ( -3.101 5.516 -1.752) 6.566 4.119 ( -2.063 -6.531 1.575) 7.028 4.232 ( 2.925 -0.329 -8.796) 9.276 4.263 ( 0.393 -2.638 -5.450) 6.068 4.440 ( -3.500 -2.167 1.345) 4.330 4.510 ( -2.612 -7.515 -1.205) 8.046 5.193 ( 4.542 7.084 1.720) 8.589 5.258 ( 2.687 0.405 1.309) 3.016 5.347 ( -1.923 5.843 1.581) 6.351 5.426 ( 0.680 -0.136 -3.569) 3.636 5.467 ( 1.825 6.119 0.422) 6.399 5.523 ( -3.850 2.580 -1.213) 4.790 5.612 ( -1.239 2.787 1.129) 3.253 5.646 ( 0.231 1.221 -1.329) 1.819 5.704 ( 0.493 4.971 -0.290) 5.004 5.747 ( -2.042 1.333 -2.124) 3.233 5.827 ( -3.223 5.827 0.344) 6.668 5.870 ( -3.006 1.857 -2.417) 4.281 6.310 ( 4.355 10.205 0.740) 11.120 6.380 ( 3.990 5.995 0.440) 7.215 6.497 ( -0.003 6.223 7.318) 9.606 6.545 ( -0.281 1.195 5.945) 6.070 7.001 ( 1.709 -5.945 -5.574) 8.326 7.059 ( 1.181 -10.929 -3.572) 11.559 7.111 ( -0.517 -4.314 -6.050) 7.448 7.157 ( -0.754 -10.715 -6.055) 12.331 7.325 ( -3.975 2.067 2.229) 5.004 7.340 ( -3.185 0.614 1.558) 3.598 7.374 ( -0.713 -2.669 1.218) 3.020 7.454 ( -3.608 -8.105 -1.949) 9.084 7.805 ( 0.057 9.243 -1.375) 9.344 7.893 ( -1.101 0.548 -2.182) 2.505 7.971 ( -1.586 -1.888 -1.642) 2.962 7.999 ( -0.989 -4.682 -2.558) 5.426 8.443 ( 10.924 5.392 1.138) 12.236 8.498 ( 9.819 0.702 -2.049) 10.055 8.623 ( 5.166 1.038 3.385) 6.263 8.676 ( 4.627 -1.400 2.001) 5.232 9.105 ( 0.651 4.256 -3.832) 5.764 9.209 ( 0.473 -3.434 -5.198) 6.247 9.299 ( -2.631 -0.216 -0.010) 2.639 9.393 ( -2.406 -7.157 -1.716) 7.743 9.574 ( 0.026 0.853 3.550) 3.651 9.611 ( -0.887 -3.279 1.515) 3.720 9.774 ( -5.530 2.757 4.457) 7.619 9.837 ( -3.955 -3.310 2.835) 5.885 10.468 ( -0.134 1.028 2.005) 2.258 10.510 ( 1.853 -2.715 0.488) 3.323 10.677 ( -4.871 2.752 2.805) 6.259 10.774 ( -4.689 -6.181 -0.856) 7.806 11.336 ( 3.240 11.071 9.024) 14.646 11.510 ( -0.895 1.822 3.778) 4.289 11.547 ( 1.892 -5.379 3.776) 6.839 11.643 ( -0.040 -6.752 2.129) 7.080 13.573 ( 1.645 7.515 -13.338) 15.398 13.670 ( 1.120 -1.566 -15.055) 15.177 13.708 ( -1.388 0.953 -13.600) 13.704 13.756 ( -0.375 -3.288 -13.870) 14.259 14.483 ( 0.838 5.045 11.976) 13.022 14.535 ( 0.511 0.344 9.437) 9.457 14.569 ( -0.929 1.893 10.974) 11.175 14.597 ( -0.421 -0.322 9.523) 9.537 16.291 ( 0.164 5.498 1.922) 5.826 16.324 ( -0.682 5.664 3.395) 6.639 16.407 ( 0.564 -5.995 2.442) 6.498 16.428 ( 0.399 0.592 -1.446) 1.613 16.517 ( 0.037 2.999 0.488) 3.039 16.588 ( -1.372 8.104 -1.449) 8.346 16.648 ( 1.861 -7.345 -4.925) 9.037 16.802 ( -2.007 -11.084 -5.064) 12.350 18.733 ( 2.041 -2.071 0.386) 2.934 18.759 ( 2.032 -4.623 -0.598) 5.085 18.906 ( -2.259 -5.627 0.548) 6.088 18.930 ( -2.212 -7.855 -0.353) 8.169 23.008 ( 0.696 4.878 0.157) 4.930 23.015 ( 1.034 4.155 -0.143) 4.284 23.062 ( -0.568 4.678 0.350) 4.725 23.071 ( -0.301 3.740 -0.007) 3.752 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 3.940 6.232 -3.392) 8.116 2.725 ( 2.974 2.762 -4.927) 6.383 2.768 ( -3.734 3.764 -0.206) 5.306 2.815 ( -4.295 0.565 -1.132) 4.477 2.950 ( 8.671 11.427 0.999) 14.379 3.047 ( 7.203 5.805 -1.805) 9.426 3.133 ( -6.680 8.660 1.490) 11.038 3.203 ( -5.442 4.317 -0.363) 6.956 3.290 ( 1.330 7.025 3.209) 7.837 3.321 ( -1.725 8.455 2.747) 9.056 3.361 ( 0.010 2.954 1.468) 3.299 3.388 ( -1.976 -0.153 2.243) 2.993 3.402 ( 4.900 -4.314 1.229) 6.643 3.454 ( 1.878 -6.492 4.932) 8.366 3.498 ( -4.429 -6.777 0.901) 8.146 3.536 ( -4.709 -8.943 1.972) 10.298 3.757 ( 8.400 5.854 4.490) 11.179 3.851 ( 7.699 -1.593 6.330) 10.094 3.907 ( -6.388 5.216 1.583) 8.398 4.016 ( -8.470 -5.233 5.450) 11.350 4.299 ( 3.303 -1.403 -3.078) 4.728 4.311 ( 4.097 -0.663 -6.486) 7.700 4.389 ( -1.470 -3.460 -1.698) 4.125 4.441 ( -4.874 -6.827 -3.639) 9.144 5.250 ( 1.534 7.390 -0.417) 7.559 5.274 ( -1.324 8.260 -0.018) 8.366 5.349 ( 3.010 -0.020 -3.068) 4.298 5.408 ( -3.110 -2.441 -4.910) 6.304 5.512 ( 2.680 5.646 -1.257) 6.375 5.527 ( 4.022 6.600 -0.053) 7.730 5.578 ( -2.127 3.042 0.710) 3.779 5.615 ( -3.284 3.108 -0.844) 4.599 5.721 ( -0.041 3.075 0.542) 3.122 5.729 ( 1.205 2.605 0.189) 2.877 5.767 ( -1.906 2.315 2.003) 3.606 5.804 ( -3.850 0.482 -0.337) 3.894 6.396 ( 4.336 9.484 2.446) 10.711 6.437 ( 0.818 8.179 2.579) 8.615 6.500 ( 0.965 2.967 5.156) 6.026 6.530 ( -1.512 1.558 4.743) 5.216 7.046 ( 2.963 -5.364 -5.306) 8.106 7.079 ( 0.235 -7.149 -3.977) 8.184 7.104 ( 0.140 -6.967 -4.962) 8.554 7.130 ( -2.132 -9.444 -5.025) 10.907 7.266 ( -1.625 2.683 1.145) 3.339 7.278 ( -2.717 2.426 0.649) 3.700 7.368 ( 0.425 -5.568 0.204) 5.588 7.396 ( -2.549 -7.446 -0.780) 7.908 7.821 ( 1.593 7.342 -1.007) 7.580 7.858 ( -2.350 3.869 -0.757) 4.589 7.959 ( 0.242 -4.871 -4.381) 6.556 7.975 ( -1.344 -6.468 -4.761) 8.143 8.643 ( 8.435 5.931 2.066) 10.516 8.660 ( 5.862 4.356 0.974) 7.368 8.715 ( 3.990 -0.472 2.675) 4.827 8.746 ( 1.563 -0.895 2.749) 3.287 9.128 ( 2.111 4.573 -2.798) 5.762 9.183 ( -3.343 3.274 -0.973) 4.779 9.286 ( 1.809 -7.895 -6.717) 10.522 9.339 ( -3.316 -9.602 -6.087) 11.843 9.574 ( 1.054 2.539 4.013) 4.864 9.625 ( 1.004 -0.203 3.329) 3.483 9.660 ( -4.282 0.651 5.066) 6.666 9.733 ( -6.622 -4.453 3.106) 8.563 10.492 ( 3.052 2.681 3.075) 5.095 10.560 ( 0.612 -0.157 1.383) 1.521 10.584 ( -1.580 -1.167 2.304) 3.028 10.671 ( -6.134 -5.832 -0.141) 8.465 11.405 ( 3.969 9.907 7.277) 12.918 11.470 ( -3.110 7.748 5.577) 10.040 11.596 ( 2.724 -8.645 2.424) 9.383 11.633 ( -1.280 -7.933 1.976) 8.275 13.613 ( 2.577 6.085 -13.079) 14.653 13.660 ( -2.345 4.018 -13.015) 13.822 13.711 ( 1.727 -3.522 -15.034) 15.537 13.741 ( -1.355 -3.862 -14.477) 15.044 14.504 ( 1.470 4.839 11.462) 12.528 14.531 ( -1.282 3.982 10.513) 11.314 14.565 ( 0.825 -0.853 10.221) 10.290 14.584 ( -1.006 -0.888 9.663) 9.756 16.297 ( 0.515 5.612 2.524) 6.175 16.309 ( -0.801 5.688 3.088) 6.522 16.419 ( 0.749 -6.072 2.190) 6.498 16.430 ( -0.292 -4.043 0.845) 4.140 16.527 ( 1.179 7.156 -1.215) 7.353 16.556 ( -1.898 8.713 -1.852) 9.107 16.694 ( 3.096 -8.282 -5.081) 10.198 16.753 ( -3.186 -9.737 -5.133) 11.459 18.783 ( 3.294 -2.898 0.321) 4.399 18.807 ( 2.822 -4.922 -0.681) 5.714 18.854 ( -2.988 -5.251 0.667) 6.078 18.877 ( -3.373 -7.154 -0.303) 7.915 23.025 ( 1.068 5.145 0.215) 5.259 23.035 ( 0.705 4.545 -0.238) 4.605 23.050 ( -0.415 4.100 0.429) 4.143 23.061 ( -0.828 3.432 -0.042) 3.530 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 0.000 -21.390) 21.390 1.022 ( 0.000 0.000 21.390) 21.390 1.262 ( 0.000 0.000 -26.130) 26.130 1.262 ( 0.000 0.000 26.130) 26.130 1.668 ( 0.000 0.000 -10.626) 10.626 1.668 ( 0.000 0.000 10.626) 10.626 2.267 ( 0.000 0.000 -21.855) 21.855 2.267 ( 0.000 0.000 21.855) 21.855 2.297 ( 0.000 0.000 -4.570) 4.570 2.297 ( 0.000 0.000 4.570) 4.570 2.555 ( 0.000 0.000 -15.426) 15.426 2.555 ( 0.000 0.000 15.426) 15.426 2.951 ( 0.000 0.000 -2.341) 2.341 2.951 ( 0.000 0.000 2.341) 2.341 3.043 ( 0.000 0.000 -3.101) 3.101 3.043 ( 0.000 0.000 3.101) 3.101 3.151 ( 0.000 0.000 -0.408) 0.408 3.151 ( 0.000 0.000 0.408) 0.408 3.250 ( 0.000 0.000 -9.799) 9.799 3.250 ( 0.000 0.000 9.799) 9.799 3.324 ( 0.000 0.000 -7.137) 7.137 3.324 ( 0.000 0.000 7.137) 7.137 3.853 ( 0.000 0.000 -3.295) 3.295 3.853 ( 0.000 0.000 3.295) 3.295 4.097 ( 0.000 0.000 -6.018) 6.018 4.097 ( 0.000 0.000 6.018) 6.018 4.435 ( 0.000 0.000 -5.068) 5.068 4.435 ( 0.000 0.000 5.068) 5.068 4.529 ( 0.000 0.000 -3.493) 3.493 4.529 ( 0.000 0.000 3.493) 3.493 4.812 ( 0.000 0.000 -0.142) 0.142 4.812 ( 0.000 0.000 0.142) 0.142 5.302 ( 0.000 0.000 -5.423) 5.423 5.302 ( 0.000 0.000 5.423) 5.423 5.467 ( 0.000 0.000 -0.783) 0.783 5.467 ( 0.000 0.000 0.783) 0.783 6.051 ( 0.000 0.000 -4.216) 4.216 6.051 ( 0.000 0.000 4.216) 4.216 6.420 ( 0.000 0.000 -4.242) 4.242 6.420 ( 0.000 0.000 4.242) 4.242 7.061 ( 0.000 0.000 -0.419) 0.419 7.061 ( 0.000 0.000 0.419) 0.419 7.233 ( 0.000 0.000 -3.064) 3.064 7.233 ( 0.000 0.000 3.064) 3.064 7.905 ( 0.000 0.000 -1.226) 1.226 7.905 ( 0.000 0.000 1.226) 1.226 8.235 ( 0.000 0.000 -1.138) 1.138 8.235 ( 0.000 0.000 1.138) 1.138 8.320 ( 0.000 0.000 -15.892) 15.892 8.320 ( 0.000 0.000 15.892) 15.892 8.519 ( 0.000 0.000 -3.128) 3.128 8.519 ( 0.000 0.000 3.128) 3.128 8.699 ( 0.000 0.000 -1.416) 1.416 8.699 ( 0.000 0.000 1.416) 1.416 9.486 ( 0.000 0.000 -12.002) 12.002 9.486 ( 0.000 0.000 12.002) 12.002 9.619 ( 0.000 0.000 -0.217) 0.217 9.619 ( 0.000 0.000 0.217) 0.217 9.727 ( 0.000 0.000 -7.968) 7.968 9.727 ( 0.000 0.000 7.968) 7.968 9.746 ( 0.000 0.000 -5.519) 5.519 9.746 ( 0.000 0.000 5.519) 5.519 9.918 ( 0.000 0.000 -3.288) 3.288 9.918 ( 0.000 0.000 3.288) 3.288 10.472 ( 0.000 0.000 -7.643) 7.643 10.472 ( 0.000 0.000 7.643) 7.643 11.133 ( 0.000 0.000 -16.353) 16.353 11.133 ( 0.000 0.000 16.353) 16.353 11.543 ( 0.000 0.000 -11.941) 11.941 11.543 ( 0.000 0.000 11.941) 11.941 11.604 ( 0.000 0.000 -10.945) 10.945 11.604 ( 0.000 0.000 10.945) 10.945 12.127 ( 0.000 0.000 -6.171) 6.171 12.127 ( 0.000 0.000 6.171) 6.171 13.004 ( 0.000 0.000 -5.057) 5.057 13.004 ( 0.000 0.000 5.057) 5.057 13.809 ( 0.000 0.000 -2.181) 2.181 13.809 ( 0.000 0.000 2.181) 2.181 14.105 ( 0.000 0.000 -9.381) 9.381 14.105 ( 0.000 0.000 9.381) 9.381 16.265 ( 0.000 0.000 -25.882) 25.882 16.265 ( 0.000 0.000 25.882) 25.882 17.607 ( 0.000 0.000 -0.953) 0.953 17.607 ( 0.000 0.000 0.953) 0.953 17.610 ( 0.000 0.000 -0.939) 0.939 17.610 ( 0.000 0.000 0.939) 0.939 17.641 ( 0.000 0.000 -4.726) 4.726 17.641 ( 0.000 0.000 4.726) 4.726 18.920 ( 0.000 0.000 -1.132) 1.132 18.920 ( 0.000 0.000 1.132) 1.132 19.586 ( 0.000 0.000 -2.449) 2.449 19.586 ( 0.000 0.000 2.449) 2.449 21.576 ( 0.000 0.000 -2.508) 2.508 21.576 ( 0.000 0.000 2.508) 2.508 22.017 ( 0.000 0.000 -6.707) 6.707 22.017 ( 0.000 0.000 6.707) 6.707 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 4.417 0.000 -19.110) 19.614 1.057 ( 4.417 0.000 19.110) 19.614 1.350 ( 9.166 0.000 -23.346) 25.081 1.350 ( 9.166 0.000 23.346) 25.081 1.704 ( -0.354 0.000 -6.426) 6.435 1.704 ( -0.354 0.000 6.426) 6.435 2.187 ( -11.145 0.000 -7.533) 13.452 2.187 ( -11.145 0.000 7.533) 13.452 2.213 ( -0.030 0.000 -19.907) 19.907 2.213 ( -0.030 0.000 19.907) 19.907 2.612 ( 4.704 0.000 -16.368) 17.031 2.612 ( 4.704 0.000 16.368) 17.031 2.907 ( -2.661 0.000 -3.477) 4.379 2.907 ( -2.661 0.000 3.477) 4.379 3.023 ( -5.815 0.000 -3.143) 6.610 3.023 ( -5.815 0.000 3.143) 6.610 3.233 ( 4.675 0.000 -2.691) 5.394 3.233 ( 4.675 0.000 2.691) 5.394 3.333 ( 12.554 0.000 -8.138) 14.961 3.333 ( 12.554 0.000 8.138) 14.961 3.362 ( 5.462 0.000 -4.595) 7.138 3.362 ( 5.462 0.000 4.595) 7.138 3.821 ( -3.519 0.000 -3.158) 4.728 3.821 ( -3.519 0.000 3.158) 4.728 3.956 ( -16.132 0.000 -11.754) 19.960 3.956 ( -16.132 0.000 11.754) 19.960 4.257 ( -12.251 0.000 -11.130) 16.552 4.257 ( -12.251 0.000 11.130) 16.552 4.568 ( 5.244 0.000 -9.329) 10.702 4.568 ( 5.244 0.000 9.329) 10.702 5.019 ( 12.870 0.000 -2.500) 13.110 5.019 ( 12.870 0.000 2.500) 13.110 5.236 ( -3.961 0.000 -5.660) 6.909 5.236 ( -3.961 0.000 5.660) 6.909 5.517 ( 3.272 0.000 -6.578) 7.346 5.517 ( 3.272 0.000 6.578) 7.346 6.101 ( 4.916 0.000 -1.299) 5.084 6.101 ( 4.916 0.000 1.299) 5.084 6.396 ( -2.534 0.000 -1.855) 3.140 6.396 ( -2.534 0.000 1.855) 3.140 7.062 ( 0.035 0.000 -0.339) 0.341 7.062 ( 0.035 0.000 0.339) 0.341 7.276 ( 4.689 0.000 -6.592) 8.090 7.276 ( 4.689 0.000 6.592) 8.090 7.910 ( 0.470 0.000 -1.057) 1.157 7.910 ( 0.470 0.000 1.057) 1.157 8.253 ( 2.072 0.000 -1.057) 2.326 8.253 ( 2.072 0.000 1.057) 2.326 8.261 ( -5.860 0.000 -16.270) 17.293 8.261 ( -5.860 0.000 16.270) 17.293 8.484 ( -3.615 0.000 -2.350) 4.312 8.484 ( -3.615 0.000 2.350) 4.312 8.704 ( 0.216 0.000 -2.231) 2.241 8.704 ( 0.216 0.000 2.231) 2.241 9.472 ( -9.382 0.000 -2.032) 9.600 9.472 ( -9.382 0.000 2.032) 9.600 9.510 ( 2.463 0.000 -10.870) 11.145 9.510 ( 2.463 0.000 10.870) 11.145 9.713 ( -1.473 0.000 -7.734) 7.873 9.713 ( -1.473 0.000 7.734) 7.873 9.823 ( 4.121 0.000 -3.066) 5.136 9.823 ( 4.121 0.000 3.066) 5.136 10.076 ( 13.269 0.000 -3.777) 13.796 10.076 ( 13.269 0.000 3.777) 13.796 10.437 ( -2.633 0.000 -6.545) 7.054 10.437 ( -2.633 0.000 6.545) 7.054 11.100 ( -3.789 0.000 -14.944) 15.417 11.100 ( -3.789 0.000 14.944) 15.417 11.549 ( 0.628 0.000 -11.830) 11.846 11.549 ( 0.628 0.000 11.830) 11.846 11.598 ( -0.609 0.000 -11.025) 11.041 11.598 ( -0.609 0.000 11.025) 11.041 12.125 ( -0.033 0.000 -5.311) 5.311 12.125 ( -0.033 0.000 5.311) 5.311 12.978 ( -2.455 0.000 -4.752) 5.349 12.978 ( -2.455 0.000 4.752) 5.349 13.784 ( -1.930 0.000 -1.471) 2.427 13.784 ( -1.930 0.000 1.471) 2.427 14.149 ( 3.802 0.000 -7.727) 8.611 14.149 ( 3.802 0.000 7.727) 8.611 16.274 ( 0.934 0.000 -22.259) 22.279 16.274 ( 0.934 0.000 22.259) 22.279 17.475 ( -15.313 0.000 -10.000) 18.289 17.475 ( -15.313 0.000 10.000) 18.289 17.607 ( -0.003 0.000 -0.755) 0.755 17.607 ( -0.003 0.000 0.755) 0.755 17.610 ( 0.003 0.000 -0.744) 0.744 17.610 ( 0.003 0.000 0.744) 0.744 18.912 ( 0.561 0.000 -7.611) 7.631 18.912 ( 0.561 0.000 7.611) 7.631 19.509 ( -7.211 0.000 -3.000) 7.810 19.509 ( -7.211 0.000 3.000) 7.810 21.650 ( 5.760 0.000 -4.322) 7.201 21.650 ( 5.760 0.000 4.322) 7.201 22.092 ( 6.971 0.000 -5.689) 8.998 22.092 ( 6.971 0.000 5.689) 8.998 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 6.959 0.000 -10.406) 12.519 1.176 ( 6.959 0.000 10.406) 12.519 1.554 ( 11.224 0.000 -14.654) 18.458 1.554 ( 11.224 0.000 14.654) 18.458 1.586 ( -8.651 0.000 -4.695) 9.843 1.586 ( -8.651 0.000 4.695) 9.843 1.954 ( -12.167 0.000 -9.198) 15.252 1.954 ( -12.167 0.000 9.198) 15.252 2.331 ( 7.795 0.000 -6.403) 10.088 2.331 ( 7.795 0.000 6.403) 10.088 2.698 ( 4.756 0.000 -16.279) 16.960 2.698 ( 4.756 0.000 16.279) 16.960 2.878 ( -0.703 0.000 -1.727) 1.864 2.878 ( -0.703 0.000 1.727) 1.864 2.897 ( -6.151 0.000 -10.151) 11.869 2.897 ( -6.151 0.000 10.151) 11.869 3.270 ( 0.536 0.000 -1.954) 2.027 3.270 ( 0.536 0.000 1.954) 2.027 3.499 ( 6.944 0.000 -2.193) 7.282 3.499 ( 6.944 0.000 2.193) 7.282 3.554 ( 0.032 0.000 -7.739) 7.739 3.554 ( 0.032 0.000 7.739) 7.739 3.734 ( 6.226 0.000 -9.571) 11.418 3.734 ( 6.226 0.000 9.571) 11.418 3.738 ( -4.685 0.000 -2.208) 5.179 3.738 ( -4.685 0.000 2.208) 5.179 4.009 ( -15.957 0.000 -13.073) 20.628 4.009 ( -15.957 0.000 13.073) 20.628 4.667 ( 4.037 0.000 -5.513) 6.833 4.667 ( 4.037 0.000 5.513) 6.833 5.058 ( -3.487 0.000 -4.223) 5.477 5.058 ( -3.487 0.000 4.223) 5.477 5.319 ( 8.021 0.000 -2.522) 8.408 5.319 ( 8.021 0.000 2.522) 8.408 5.535 ( -1.319 0.000 -5.659) 5.811 5.535 ( -1.319 0.000 5.659) 5.811 6.206 ( 6.061 0.000 -5.210) 7.992 6.206 ( 6.061 0.000 5.210) 7.992 6.331 ( -4.519 0.000 -4.599) 6.448 6.331 ( -4.519 0.000 4.599) 6.448 7.062 ( 0.022 0.000 -0.130) 0.132 7.062 ( 0.022 0.000 0.130) 0.132 7.375 ( 4.507 0.000 -5.183) 6.869 7.375 ( 4.507 0.000 5.183) 6.869 7.918 ( 0.281 0.000 -0.445) 0.526 7.918 ( 0.281 0.000 0.445) 0.526 8.152 ( -4.486 0.000 -7.964) 9.141 8.152 ( -4.486 0.000 7.964) 9.141 8.307 ( 3.625 0.000 -0.524) 3.663 8.307 ( 3.625 0.000 0.524) 3.663 8.404 ( -4.532 0.000 -0.795) 4.601 8.404 ( -4.532 0.000 0.795) 4.601 8.702 ( -0.223 0.000 -0.244) 0.330 8.702 ( -0.223 0.000 0.244) 0.330 9.347 ( -3.832 0.000 -1.052) 3.974 9.347 ( -3.832 0.000 1.052) 3.974 9.558 ( 2.171 0.000 -6.165) 6.536 9.558 ( 2.171 0.000 6.165) 6.536 9.681 ( -1.597 0.000 -5.037) 5.284 9.681 ( -1.597 0.000 5.037) 5.284 9.884 ( 2.174 0.000 -2.470) 3.291 9.884 ( 2.174 0.000 2.470) 3.291 10.228 ( 1.851 0.000 -2.122) 2.816 10.228 ( 1.851 0.000 2.122) 2.816 10.458 ( 4.965 0.000 -2.178) 5.421 10.458 ( 4.965 0.000 2.178) 5.421 11.012 ( -4.535 0.000 -7.496) 8.761 11.012 ( -4.535 0.000 7.496) 8.761 11.564 ( 0.994 0.000 -11.425) 11.468 11.564 ( 0.994 0.000 11.425) 11.468 11.583 ( -0.982 0.000 -11.118) 11.161 11.583 ( -0.982 0.000 11.118) 11.161 12.127 ( 0.151 0.000 -2.205) 2.210 12.127 ( 0.151 0.000 2.205) 2.210 12.937 ( -1.518 0.000 -2.086) 2.580 12.937 ( -1.518 0.000 2.086) 2.580 13.759 ( -0.731 0.000 -0.671) 0.992 13.759 ( -0.731 0.000 0.671) 0.992 14.206 ( 1.856 0.000 -3.038) 3.560 14.206 ( 1.856 0.000 3.038) 3.560 16.293 ( 0.850 0.000 -9.687) 9.725 16.293 ( 0.850 0.000 9.687) 9.725 17.234 ( -8.255 0.000 -7.229) 10.973 17.234 ( -8.255 0.000 7.229) 10.973 17.607 ( -0.002 0.000 -0.280) 0.280 17.607 ( -0.002 0.000 0.280) 0.280 17.610 ( 0.002 0.000 -0.275) 0.275 17.610 ( 0.002 0.000 0.275) 0.275 18.952 ( 2.649 0.000 -3.929) 4.738 18.952 ( 2.649 0.000 3.929) 4.738 19.381 ( -5.210 0.000 -2.177) 5.647 19.381 ( -5.210 0.000 2.177) 5.647 21.726 ( 2.224 0.000 -1.993) 2.986 21.726 ( 2.224 0.000 1.993) 2.986 22.199 ( 3.530 0.000 -2.340) 4.235 22.199 ( 3.530 0.000 2.340) 4.235 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 6.943 -2.613) 7.418 1.099 ( 0.000 6.943 2.613) 7.418 1.305 ( 0.000 9.953 -7.344) 12.369 1.305 ( 0.000 9.953 7.344) 12.369 1.862 ( 0.000 12.550 -2.825) 12.863 1.862 ( 0.000 12.550 2.825) 12.863 2.378 ( 0.000 11.071 -17.082) 20.356 2.378 ( 0.000 11.071 17.082) 20.356 2.449 ( 0.000 13.256 -4.038) 13.857 2.449 ( 0.000 13.256 4.038) 13.857 2.647 ( 0.000 11.710 -21.148) 24.174 2.647 ( 0.000 11.710 21.148) 24.174 2.898 ( 0.000 -3.520 -0.653) 3.580 2.898 ( 0.000 -3.520 0.653) 3.580 2.996 ( 0.000 -3.049 -3.334) 4.517 2.996 ( 0.000 -3.049 3.334) 4.517 3.252 ( 0.000 12.262 -4.909) 13.208 3.252 ( 0.000 12.262 4.909) 13.208 3.377 ( 0.000 13.123 -3.322) 13.537 3.377 ( 0.000 13.123 3.322) 13.537 3.575 ( 0.000 17.492 -3.084) 17.762 3.575 ( 0.000 17.492 3.084) 17.762 3.893 ( 0.000 2.723 -4.163) 4.974 3.893 ( 0.000 2.723 4.163) 4.974 4.174 ( 0.000 8.378 -6.801) 10.790 4.174 ( 0.000 8.378 6.801) 10.790 4.443 ( 0.000 1.719 -4.964) 5.253 4.443 ( 0.000 1.719 4.964) 5.253 4.565 ( 0.000 4.027 -4.257) 5.860 4.565 ( 0.000 4.027 4.257) 5.860 4.845 ( 0.000 3.650 -0.242) 3.658 4.845 ( 0.000 3.650 0.242) 3.658 5.281 ( 0.000 -2.157 -3.320) 3.959 5.281 ( 0.000 -2.157 3.320) 3.959 5.411 ( 0.000 -4.273 -0.575) 4.312 5.411 ( 0.000 -4.273 0.575) 4.312 5.974 ( 0.000 -7.032 -3.799) 7.992 5.974 ( 0.000 -7.032 3.799) 7.992 6.385 ( 0.000 -2.227 -2.651) 3.462 6.385 ( 0.000 -2.227 2.651) 3.462 7.165 ( 0.000 1.345 -0.999) 1.675 7.165 ( 0.000 1.345 0.999) 1.675 7.290 ( 0.000 11.126 -0.045) 11.126 7.290 ( 0.000 11.126 0.045) 11.126 7.847 ( 0.000 -7.200 -2.265) 7.548 7.847 ( 0.000 -7.200 2.265) 7.548 8.212 ( 0.000 -3.743 -4.492) 5.847 8.212 ( 0.000 -3.743 4.492) 5.847 8.352 ( 0.000 8.523 -4.568) 9.670 8.352 ( 0.000 8.523 4.568) 9.670 8.612 ( 0.000 6.745 -2.966) 7.368 8.612 ( 0.000 6.745 2.966) 7.368 8.692 ( 0.000 -0.503 -4.246) 4.276 8.692 ( 0.000 -0.503 4.246) 4.276 9.288 ( 0.000 -18.730 -0.865) 18.750 9.288 ( 0.000 -18.730 0.865) 18.750 9.435 ( 0.000 -6.234 -6.634) 9.103 9.435 ( 0.000 -6.234 6.634) 9.103 9.685 ( 0.000 -2.317 -1.442) 2.729 9.685 ( 0.000 -2.317 1.442) 2.729 9.943 ( 0.000 5.491 -4.148) 6.881 9.943 ( 0.000 5.491 4.148) 6.881 10.103 ( 0.000 7.752 -0.685) 7.782 10.103 ( 0.000 7.752 0.685) 7.782 10.351 ( 0.000 -6.568 -8.004) 10.354 10.351 ( 0.000 -6.568 8.004) 10.354 11.053 ( 0.000 -9.080 -17.420) 19.644 11.053 ( 0.000 -9.080 17.420) 19.644 11.188 ( 0.000 -16.277 -11.941) 20.187 11.188 ( 0.000 -16.277 11.941) 20.187 11.669 ( 0.000 4.322 -9.386) 10.333 11.669 ( 0.000 4.322 9.386) 10.333 12.422 ( 0.000 17.431 -6.977) 18.776 12.422 ( 0.000 17.431 6.977) 18.776 13.286 ( 0.000 24.504 -9.737) 26.367 13.286 ( 0.000 24.504 9.737) 26.367 13.856 ( 0.000 4.730 -1.795) 5.059 13.856 ( 0.000 4.730 1.795) 5.059 14.071 ( 0.000 -2.988 -8.849) 9.340 14.071 ( 0.000 -2.988 8.849) 9.340 16.226 ( 0.000 -3.710 -23.619) 23.909 16.226 ( 0.000 -3.710 23.619) 23.909 17.083 ( 0.000 -31.613 -8.478) 32.731 17.083 ( 0.000 -31.613 8.478) 32.731 17.529 ( 0.000 -7.460 -1.703) 7.652 17.529 ( 0.000 -7.460 1.703) 7.652 17.723 ( 0.000 -3.044 -0.313) 3.060 17.723 ( 0.000 -3.044 0.313) 3.060 19.182 ( 0.000 16.538 -5.392) 17.395 19.182 ( 0.000 16.538 5.392) 17.395 19.707 ( 0.000 10.294 -1.918) 10.471 19.707 ( 0.000 10.294 1.918) 10.471 21.632 ( 0.000 6.541 -1.548) 6.722 21.632 ( 0.000 6.541 1.548) 6.722 21.978 ( 0.000 -2.739 -5.171) 5.852 21.978 ( 0.000 -2.739 5.171) 5.852 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 5.689 9.240 -12.616) 16.640 1.152 ( 5.689 9.240 12.616) 16.640 1.402 ( 10.084 7.995 -17.204) 21.484 1.402 ( 10.084 7.995 17.204) 21.484 1.825 ( -5.586 8.959 -4.190) 11.358 1.825 ( -5.586 8.959 4.190) 11.358 2.298 ( -12.653 10.533 -3.919) 16.923 2.298 ( -12.653 10.533 3.919) 16.923 2.362 ( -0.581 12.017 -9.832) 15.537 2.362 ( -0.581 12.017 9.832) 15.537 2.717 ( 5.899 11.756 -19.891) 23.846 2.717 ( 5.899 11.756 19.891) 23.846 2.813 ( -3.981 -2.416 -2.690) 5.377 2.813 ( -3.981 -2.416 2.690) 5.377 3.132 ( 5.964 3.245 -2.947) 7.401 3.132 ( 5.964 3.245 2.947) 7.401 3.335 ( 8.124 9.505 -2.953) 12.847 3.335 ( 8.124 9.505 2.953) 12.847 3.385 ( 2.439 12.880 -3.013) 13.451 3.385 ( 2.439 12.880 3.013) 13.451 3.588 ( 3.605 15.557 -2.178) 16.117 3.588 ( 3.605 15.557 2.178) 16.117 3.864 ( -4.042 3.820 -4.788) 7.338 3.864 ( -4.042 3.820 4.788) 7.338 4.046 ( -13.751 9.144 -9.784) 19.195 4.046 ( -13.751 9.144 9.784) 19.195 4.297 ( -11.746 4.909 -11.336) 17.046 4.297 ( -11.746 4.909 11.336) 17.046 4.583 ( 4.718 1.885 -8.097) 9.559 4.583 ( 4.718 1.885 8.097) 9.559 5.039 ( 12.516 2.252 -2.551) 12.971 5.039 ( 12.516 2.252 2.551) 12.971 5.210 ( -4.012 -2.477 -5.644) 7.355 5.210 ( -4.012 -2.477 5.644) 7.355 5.483 ( 4.560 -2.673 -6.453) 8.342 5.483 ( 4.560 -2.673 6.453) 8.342 6.011 ( 3.991 -7.959 -0.892) 8.948 6.011 ( 3.991 -7.959 0.892) 8.948 6.361 ( -2.679 -2.592 -0.337) 3.743 6.361 ( -2.679 -2.592 0.337) 3.743 7.110 ( -3.342 1.127 -2.159) 4.135 7.110 ( -3.342 1.127 2.159) 4.135 7.381 ( 7.405 11.002 -5.604) 14.397 7.381 ( 7.405 11.002 5.604) 14.397 7.845 ( -0.243 -7.420 -1.792) 7.638 7.845 ( -0.243 -7.420 1.792) 7.638 8.203 ( -2.041 -3.849 -9.044) 10.039 8.203 ( -2.041 -3.849 9.044) 10.039 8.339 ( 0.039 8.900 -2.755) 9.317 8.339 ( 0.039 8.900 2.755) 9.317 8.578 ( -3.611 7.398 -2.179) 8.515 8.578 ( -3.611 7.398 2.179) 8.515 8.724 ( 2.963 1.760 -4.947) 6.029 8.724 ( 2.963 1.760 4.947) 6.029 9.280 ( -0.714 -14.305 -1.938) 14.453 9.280 ( -0.714 -14.305 1.938) 14.453 9.451 ( 1.299 -7.692 -6.589) 10.211 9.451 ( 1.299 -7.692 6.589) 10.211 9.623 ( -5.435 -4.347 -3.361) 7.729 9.623 ( -5.435 -4.347 3.361) 7.729 9.939 ( 0.103 5.353 -5.697) 7.819 9.939 ( 0.103 5.353 5.697) 7.819 10.143 ( 1.545 -4.822 -2.682) 5.729 10.143 ( 1.545 -4.822 2.682) 5.729 10.381 ( 4.815 1.123 -7.011) 8.579 10.381 ( 4.815 1.123 7.011) 8.579 10.951 ( -7.802 -11.661 -9.652) 17.029 10.951 ( -7.802 -11.661 9.652) 17.029 11.295 ( 8.176 -11.930 -4.751) 15.224 11.295 ( 8.176 -11.930 4.751) 15.224 11.643 ( -2.804 2.560 -9.283) 10.029 11.643 ( -2.804 2.560 9.283) 10.029 12.426 ( 0.391 19.819 -5.950) 20.697 12.426 ( 0.391 19.819 5.950) 20.697 13.235 ( -4.850 21.735 -7.932) 23.640 13.235 ( -4.850 21.735 7.932) 23.640 13.826 ( -2.022 4.604 -1.526) 5.255 13.826 ( -2.022 4.604 1.526) 5.255 14.128 ( 4.560 -1.794 -6.711) 8.310 14.128 ( 4.560 -1.794 6.711) 8.310 16.232 ( 0.625 -3.894 -20.093) 20.476 16.232 ( 0.625 -3.894 20.093) 20.476 17.030 ( -5.285 -28.923 -9.885) 31.019 17.030 ( -5.285 -28.923 9.885) 31.019 17.532 ( 0.409 -7.188 -1.614) 7.379 17.532 ( 0.409 -7.188 1.614) 7.379 17.668 ( -4.916 -2.319 -1.249) 5.578 17.668 ( -4.916 -2.319 1.249) 5.578 19.159 ( -1.002 16.952 -4.967) 17.693 19.159 ( -1.002 16.952 4.967) 17.693 19.630 ( -7.320 10.456 -2.313) 12.972 19.630 ( -7.320 10.456 2.313) 12.972 21.686 ( 4.306 4.473 -3.339) 7.050 21.686 ( 4.306 4.473 3.339) 7.050 22.050 ( 6.651 -3.026 -4.355) 8.507 22.050 ( 6.651 -3.026 4.355) 8.507 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 7.085 10.569 -8.271) 15.176 1.282 ( 7.085 10.569 8.271) 15.176 1.595 ( 3.183 6.831 -9.306) 11.975 1.595 ( 3.183 6.831 9.306) 11.975 1.712 ( 2.689 8.856 -6.852) 11.516 1.712 ( 2.689 8.856 6.852) 11.516 2.017 ( -15.951 5.956 -9.994) 19.743 2.017 ( -15.951 5.956 9.994) 19.743 2.422 ( 4.047 8.385 -4.398) 10.296 2.422 ( 4.047 8.385 4.398) 10.296 2.702 ( -3.372 0.661 -4.897) 5.982 2.702 ( -3.372 0.661 4.897) 5.982 2.908 ( 9.520 11.308 -15.960) 21.754 2.908 ( 9.520 11.308 15.960) 21.754 3.120 ( -4.767 14.030 -4.251) 15.416 3.120 ( -4.767 14.030 4.251) 15.416 3.419 ( 3.453 10.900 -3.675) 12.010 3.419 ( 3.453 10.900 3.675) 12.010 3.562 ( 9.695 6.809 -2.751) 12.163 3.562 ( 9.695 6.809 2.751) 12.163 3.647 ( -3.704 10.907 -5.411) 12.726 3.647 ( -3.704 10.907 5.411) 12.726 3.763 ( -2.462 5.343 -5.537) 8.079 3.763 ( -2.462 5.343 5.537) 8.079 3.858 ( -0.267 9.263 -3.148) 9.787 3.858 ( -0.267 9.263 3.148) 9.787 4.070 ( -13.189 7.205 -11.081) 18.673 4.070 ( -13.189 7.205 11.081) 18.673 4.674 ( 3.730 1.023 -4.750) 6.126 4.674 ( 3.730 1.023 4.750) 6.126 5.071 ( -3.252 1.241 -4.073) 5.358 5.071 ( -3.252 1.241 4.073) 5.358 5.304 ( 8.270 -1.375 -2.872) 8.862 5.304 ( 8.270 -1.375 2.872) 8.862 5.513 ( -1.245 -1.839 -5.696) 6.113 5.513 ( -1.245 -1.839 5.696) 6.113 6.107 ( 5.497 -8.746 -3.018) 10.762 6.107 ( 5.497 -8.746 3.018) 10.762 6.292 ( -4.268 -3.141 -2.973) 6.077 6.292 ( -4.268 -3.141 2.973) 6.077 7.073 ( -0.852 -0.195 -1.354) 1.612 7.073 ( -0.852 -0.195 1.354) 1.612 7.505 ( 4.872 11.180 -4.278) 12.924 7.505 ( 4.872 11.180 4.278) 12.924 7.838 ( -0.444 -7.948 -0.538) 7.978 7.838 ( -0.444 -7.948 0.538) 7.978 8.139 ( -3.287 -1.676 -5.701) 6.791 8.139 ( -3.287 -1.676 5.701) 6.791 8.383 ( 4.011 8.068 -0.344) 9.016 8.383 ( 4.011 8.068 0.344) 9.016 8.495 ( -4.909 7.976 -1.320) 9.459 8.495 ( -4.909 7.976 1.320) 9.459 8.773 ( 1.787 6.256 -1.509) 6.679 8.773 ( 1.787 6.256 1.509) 6.679 9.265 ( -0.780 -6.413 -1.538) 6.640 9.265 ( -0.780 -6.413 1.538) 6.640 9.471 ( 0.829 -13.307 -3.723) 13.843 9.471 ( 0.829 -13.307 3.723) 13.843 9.540 ( -2.873 -6.696 -3.029) 7.891 9.540 ( -2.873 -6.696 3.029) 7.891 9.950 ( 0.784 3.207 -3.947) 5.146 9.950 ( 0.784 3.207 3.947) 5.146 10.129 ( -1.590 -12.987 -3.733) 13.606 10.129 ( -1.590 -12.987 3.733) 13.606 10.516 ( 7.497 4.762 -4.414) 9.918 10.516 ( 7.497 4.762 4.414) 9.918 10.811 ( -6.700 -12.541 -5.649) 15.300 10.811 ( -6.700 -12.541 5.649) 15.300 11.439 ( 7.197 -7.049 -6.228) 11.844 11.439 ( 7.197 -7.049 6.228) 11.844 11.570 ( -5.089 -1.802 -8.139) 9.767 11.570 ( -5.089 -1.802 8.139) 9.767 12.433 ( 0.292 23.991 -2.518) 24.124 12.433 ( 0.292 23.991 2.518) 24.124 13.155 ( -2.917 17.148 -3.192) 17.685 13.155 ( -2.917 17.148 3.192) 17.685 13.803 ( -0.556 5.394 -0.858) 5.490 13.803 ( -0.556 5.394 0.858) 5.490 14.192 ( 2.039 -1.148 -2.561) 3.469 14.192 ( 2.039 -1.148 2.561) 3.469 16.244 ( 0.552 -4.324 -8.517) 9.568 16.244 ( 0.552 -4.324 8.517) 9.568 16.935 ( -3.694 -23.442 -5.797) 24.429 16.935 ( -3.694 -23.442 5.797) 24.429 17.546 ( 1.264 -6.073 -1.396) 6.358 17.546 ( 1.264 -6.073 1.396) 6.358 17.589 ( -3.275 -3.740 -1.203) 5.115 17.589 ( -3.275 -3.740 1.203) 5.115 19.175 ( 1.996 16.865 -2.593) 17.179 19.175 ( 1.996 16.865 2.593) 17.179 19.497 ( -5.578 10.089 -1.812) 11.670 19.497 ( -5.578 10.089 1.812) 11.670 21.745 ( 1.843 2.789 -1.552) 3.686 21.745 ( 1.843 2.789 1.552) 3.686 22.153 ( 3.430 -3.511 -1.755) 5.213 22.153 ( 3.430 -3.511 1.755) 5.213 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 17.042 -6.025) 18.075 1.334 ( 0.000 17.042 6.025) 18.075 1.637 ( 0.000 21.433 -5.394) 22.101 1.637 ( 0.000 21.433 5.394) 22.101 2.068 ( 0.000 9.493 -0.539) 9.509 2.068 ( 0.000 9.493 0.539) 9.509 2.581 ( 0.000 9.131 -3.888) 9.924 2.581 ( 0.000 9.131 3.888) 9.924 2.755 ( 0.000 12.655 -10.586) 16.499 2.755 ( 0.000 12.655 10.586) 16.499 2.845 ( 0.000 4.984 -1.249) 5.138 2.845 ( 0.000 4.984 1.249) 5.138 3.018 ( 0.000 5.373 -3.560) 6.445 3.018 ( 0.000 5.373 3.560) 6.445 3.089 ( 0.000 25.835 -20.504) 32.983 3.089 ( 0.000 25.835 20.504) 32.983 3.481 ( 0.000 11.314 -5.550) 12.602 3.481 ( 0.000 11.314 5.550) 12.602 3.719 ( 0.000 17.146 -2.425) 17.317 3.719 ( 0.000 17.146 2.425) 17.317 3.886 ( 0.000 6.720 -11.128) 13.000 3.886 ( 0.000 6.720 11.128) 13.000 3.983 ( 0.000 14.733 -1.681) 14.828 3.983 ( 0.000 14.733 1.681) 14.828 4.386 ( 0.000 11.115 -8.779) 14.164 4.386 ( 0.000 11.115 8.779) 14.164 4.575 ( 0.000 13.410 -6.732) 15.005 4.575 ( 0.000 13.410 6.732) 15.005 4.689 ( 0.000 8.333 -4.365) 9.407 4.689 ( 0.000 8.333 4.365) 9.407 4.965 ( 0.000 8.126 -0.069) 8.127 4.965 ( 0.000 8.126 0.069) 8.127 5.229 ( 0.000 -2.106 -1.719) 2.718 5.229 ( 0.000 -2.106 1.719) 2.718 5.358 ( 0.000 -0.087 -5.820) 5.820 5.358 ( 0.000 -0.087 5.820) 5.820 5.797 ( 0.000 -10.532 -4.520) 11.461 5.797 ( 0.000 -10.532 4.520) 11.461 6.348 ( 0.000 -1.640 -0.167) 1.649 6.348 ( 0.000 -1.640 0.167) 1.649 7.150 ( 0.000 -0.818 -5.448) 5.509 7.150 ( 0.000 -0.818 5.448) 5.509 7.540 ( 0.000 11.357 -3.195) 11.798 7.540 ( 0.000 11.357 3.195) 11.798 7.668 ( 0.000 -9.052 -2.480) 9.386 7.668 ( 0.000 -9.052 2.480) 9.386 8.127 ( 0.000 -4.220 -2.795) 5.061 8.127 ( 0.000 -4.220 2.795) 5.061 8.525 ( 0.000 -2.241 -8.083) 8.388 8.525 ( 0.000 -2.241 8.083) 8.388 8.650 ( 0.000 3.139 -2.245) 3.859 8.650 ( 0.000 3.139 2.245) 3.859 8.756 ( 0.000 3.358 -1.530) 3.691 8.756 ( 0.000 3.358 1.530) 3.691 8.958 ( 0.000 -11.274 -1.257) 11.343 8.958 ( 0.000 -11.274 1.257) 11.343 9.235 ( 0.000 -17.335 -4.442) 17.895 9.235 ( 0.000 -17.335 4.442) 17.895 9.620 ( 0.000 -3.799 -0.271) 3.809 9.620 ( 0.000 -3.799 0.271) 3.809 9.863 ( 0.000 -9.950 -1.827) 10.117 9.863 ( 0.000 -9.950 1.827) 10.117 9.978 ( 0.000 -9.273 -3.467) 9.900 9.978 ( 0.000 -9.273 3.467) 9.900 10.452 ( 0.000 6.941 -9.773) 11.987 10.452 ( 0.000 6.941 9.773) 11.987 10.839 ( 0.000 -3.856 -14.200) 14.714 10.839 ( 0.000 -3.856 14.200) 14.714 11.147 ( 0.000 3.148 -17.659) 17.938 11.147 ( 0.000 3.148 17.659) 17.938 11.715 ( 0.000 0.643 -8.586) 8.610 11.715 ( 0.000 0.643 8.586) 8.610 12.743 ( 0.000 15.888 -11.296) 19.494 12.743 ( 0.000 15.888 11.296) 19.494 13.716 ( 0.000 11.388 -4.321) 12.180 13.716 ( 0.000 11.388 4.321) 12.180 13.999 ( 0.000 11.616 -2.254) 11.833 13.999 ( 0.000 11.616 2.254) 11.833 14.049 ( 0.000 3.945 -4.375) 5.891 14.049 ( 0.000 3.945 4.375) 5.891 16.138 ( 0.000 -4.658 -18.224) 18.809 16.138 ( 0.000 -4.658 18.224) 18.809 16.548 ( 0.000 -21.259 -12.601) 24.713 16.548 ( 0.000 -21.259 12.601) 24.713 17.340 ( 0.000 -11.242 -3.466) 11.765 17.340 ( 0.000 -11.242 3.466) 11.765 17.597 ( 0.000 -8.846 -1.707) 9.009 17.597 ( 0.000 -8.846 1.707) 9.009 19.359 ( 0.000 0.724 -2.420) 2.526 19.359 ( 0.000 0.724 2.420) 2.526 19.878 ( 0.000 4.471 -1.849) 4.838 19.878 ( 0.000 4.471 1.849) 4.838 21.849 ( 0.000 14.700 -0.933) 14.730 21.849 ( 0.000 14.700 0.933) 14.730 21.984 ( 0.000 5.678 -2.857) 6.356 21.984 ( 0.000 5.678 2.857) 6.356 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 7.913 16.863 -5.100) 19.312 1.412 ( 7.913 16.863 5.100) 19.312 1.679 ( 4.886 18.764 -8.639) 21.227 1.679 ( 4.886 18.764 8.639) 21.227 2.013 ( -6.022 10.426 -2.214) 12.242 2.013 ( -6.022 10.426 2.214) 12.242 2.470 ( -14.458 6.323 -4.848) 16.508 2.470 ( -14.458 6.323 4.848) 16.508 2.628 ( -3.498 13.783 -6.334) 15.567 2.628 ( -3.498 13.783 6.334) 15.567 2.833 ( -2.306 7.044 -2.554) 7.840 2.833 ( -2.306 7.044 2.554) 7.840 3.115 ( 5.396 16.993 -11.408) 21.166 3.115 ( 5.396 16.993 11.408) 21.166 3.207 ( 12.417 11.763 -7.930) 18.854 3.207 ( 12.417 11.763 7.930) 18.854 3.557 ( 4.382 11.985 -3.671) 13.278 3.557 ( 4.382 11.985 3.671) 13.278 3.719 ( 1.157 16.248 -6.684) 17.607 3.719 ( 1.157 16.248 6.684) 17.607 3.852 ( 0.748 9.137 -6.422) 11.193 3.852 ( 0.748 9.137 6.422) 11.193 4.025 ( 1.426 14.716 -5.489) 15.771 4.025 ( 1.426 14.716 5.489) 15.771 4.277 ( -11.330 13.892 -6.068) 18.926 4.277 ( -11.330 13.892 6.068) 18.926 4.494 ( -9.653 15.222 -7.835) 19.654 4.494 ( -9.653 15.222 7.835) 19.654 4.665 ( 2.678 6.882 -3.634) 8.230 4.665 ( 2.678 6.882 3.634) 8.230 5.105 ( 10.191 2.727 -2.580) 10.861 5.105 ( 10.191 2.727 2.580) 10.861 5.168 ( -3.677 0.657 -4.412) 5.781 5.168 ( -3.677 0.657 4.412) 5.781 5.447 ( 5.740 -0.068 -6.586) 8.736 5.447 ( 5.740 -0.068 6.586) 8.736 5.821 ( 3.042 -10.865 -2.021) 11.462 5.821 ( 3.042 -10.865 2.021) 11.462 6.311 ( -3.781 -2.264 -1.376) 4.617 6.311 ( -3.781 -2.264 1.376) 4.617 7.108 ( -3.564 -0.339 -5.285) 6.383 7.108 ( -3.564 -0.339 5.285) 6.383 7.605 ( 5.597 9.333 -3.075) 11.308 7.605 ( 5.597 9.333 3.075) 11.308 7.665 ( -0.044 -8.821 -3.159) 9.370 7.665 ( -0.044 -8.821 3.159) 9.370 8.129 ( -0.463 -3.500 -6.027) 6.985 8.129 ( -0.463 -3.500 6.027) 6.985 8.493 ( -1.052 0.841 -6.115) 6.261 8.493 ( -1.052 0.841 6.115) 6.261 8.675 ( 0.352 1.182 -4.554) 4.718 8.675 ( 0.352 1.182 4.554) 4.718 8.801 ( 5.209 5.290 -6.405) 9.805 8.801 ( 5.209 5.290 6.405) 9.805 8.994 ( 4.039 -11.033 -3.325) 12.210 8.994 ( 4.039 -11.033 3.325) 12.210 9.240 ( 0.345 -17.171 -3.183) 17.467 9.240 ( 0.345 -17.171 3.183) 17.467 9.537 ( -8.970 -3.072 -1.875) 9.665 9.537 ( -8.970 -3.072 1.875) 9.665 9.811 ( -3.578 -15.115 -4.221) 16.096 9.811 ( -3.578 -15.115 4.221) 16.096 9.962 ( -2.570 -7.103 -3.943) 8.521 9.962 ( -2.570 -7.103 3.943) 8.521 10.498 ( 4.741 5.959 -7.596) 10.756 10.498 ( 4.741 5.959 7.596) 10.756 10.803 ( -3.520 -1.166 -7.604) 8.460 10.803 ( -3.520 -1.166 7.604) 8.460 11.216 ( 6.907 0.864 -10.402) 12.516 11.216 ( 6.907 0.864 10.402) 12.516 11.661 ( -5.667 -0.222 -8.464) 10.188 11.661 ( -5.667 -0.222 8.464) 10.188 12.798 ( 5.540 17.737 -10.858) 21.522 12.798 ( 5.540 17.737 10.858) 21.522 13.599 ( -10.430 10.378 -4.678) 15.439 13.599 ( -10.430 10.378 4.678) 15.439 14.005 ( 0.579 14.600 -4.738) 15.360 14.005 ( 0.579 14.600 4.738) 15.360 14.113 ( 4.803 1.520 -3.609) 6.197 14.113 ( 4.803 1.520 3.609) 6.197 16.145 ( 0.634 -4.378 -15.585) 16.201 16.145 ( 0.634 -4.378 15.585) 16.201 16.527 ( -2.096 -20.677 -11.297) 23.655 16.527 ( -2.096 -20.677 11.297) 23.655 17.349 ( 1.139 -10.926 -3.291) 11.467 17.349 ( 1.139 -10.926 3.291) 11.467 17.550 ( -4.662 -8.728 -2.041) 10.103 17.550 ( -4.662 -8.728 2.041) 10.103 19.367 ( 1.492 2.762 -2.619) 4.088 19.367 ( 1.492 2.762 2.619) 4.088 19.809 ( -6.914 4.958 -2.026) 8.746 19.809 ( -6.914 4.958 2.026) 8.746 21.857 ( 1.030 12.840 -1.447) 12.962 21.857 ( 1.030 12.840 1.447) 12.962 22.049 ( 5.619 4.996 -2.301) 7.863 22.049 ( 5.619 4.996 2.301) 7.863 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 7.163 17.503 -3.849) 19.300 1.567 ( 7.163 17.503 3.849) 19.300 1.803 ( 4.173 12.846 -8.561) 15.991 1.803 ( 4.173 12.846 8.561) 15.991 1.913 ( 1.856 12.403 -2.801) 12.851 1.913 ( 1.856 12.403 2.801) 12.851 2.156 ( -17.910 7.945 -9.389) 21.727 2.156 ( -17.910 7.945 9.389) 21.727 2.633 ( 1.738 12.608 -2.306) 12.934 2.633 ( 1.738 12.608 2.306) 12.934 2.778 ( -2.744 6.912 -1.934) 7.684 2.778 ( -2.744 6.912 1.934) 7.684 3.233 ( 6.132 16.702 -7.964) 19.493 3.233 ( 6.132 16.702 7.964) 19.493 3.373 ( 2.953 11.093 -3.033) 11.873 3.373 ( 2.953 11.093 3.033) 11.873 3.579 ( 1.881 7.515 -3.624) 8.553 3.579 ( 1.881 7.515 3.624) 8.553 3.785 ( 3.162 13.061 -2.608) 13.689 3.785 ( 3.162 13.061 2.608) 13.689 3.909 ( 2.070 15.562 -1.991) 15.824 3.909 ( 2.070 15.562 1.991) 15.824 4.031 ( -3.493 21.271 -3.675) 21.867 4.031 ( -3.493 21.271 3.675) 21.867 4.085 ( -1.009 12.687 -4.153) 13.387 4.085 ( -1.009 12.687 4.153) 13.387 4.300 ( -10.425 15.449 -5.826) 19.527 4.300 ( -10.425 15.449 5.826) 19.527 4.734 ( 3.024 5.943 -2.616) 7.163 4.734 ( 3.024 5.943 2.616) 7.163 5.101 ( -2.205 1.447 -3.172) 4.126 5.101 ( -2.205 1.447 3.172) 4.126 5.276 ( 6.442 -0.950 -2.652) 7.031 5.276 ( 6.442 -0.950 2.652) 7.031 5.491 ( -0.599 0.723 -5.089) 5.175 5.491 ( -0.599 0.723 5.089) 5.175 5.906 ( 4.729 -11.114 -1.054) 12.124 5.906 ( 4.729 -11.114 1.054) 12.124 6.233 ( -3.753 -2.247 -1.838) 4.745 6.233 ( -3.753 -2.247 1.838) 4.745 7.055 ( -1.791 -1.238 -2.475) 3.296 7.055 ( -1.791 -1.238 2.475) 3.296 7.651 ( 0.027 -8.775 -0.452) 8.787 7.651 ( 0.027 -8.775 0.452) 8.787 7.713 ( 3.622 7.403 -3.405) 8.917 7.713 ( 3.622 7.403 3.405) 8.917 8.095 ( -2.368 -2.377 -3.746) 5.029 8.095 ( -2.368 -2.377 3.746) 5.029 8.529 ( 4.031 2.788 -3.260) 5.886 8.529 ( 4.031 2.788 3.260) 5.886 8.645 ( -3.028 5.206 -2.986) 6.723 8.645 ( -3.028 5.206 2.986) 6.723 8.905 ( 4.510 4.077 -4.594) 7.620 8.905 ( 4.510 4.077 4.594) 7.620 9.099 ( 7.461 -8.846 -3.385) 12.057 9.099 ( 7.461 -8.846 3.385) 12.057 9.227 ( -3.099 -12.904 -0.948) 13.305 9.227 ( -3.099 -12.904 0.948) 13.305 9.351 ( -8.423 -9.313 -1.626) 12.662 9.351 ( -8.423 -9.313 1.626) 12.662 9.766 ( -1.237 -18.651 -1.550) 18.756 9.766 ( -1.237 -18.651 1.550) 18.756 9.906 ( -2.410 -6.735 -1.989) 7.425 9.906 ( -2.410 -6.735 1.989) 7.425 10.596 ( 5.084 3.331 -3.502) 7.015 10.596 ( 5.084 3.331 3.502) 7.015 10.727 ( -4.260 3.270 -1.115) 5.485 10.727 ( -4.260 3.270 1.115) 5.485 11.365 ( 8.936 -2.007 -5.757) 10.817 11.365 ( 8.936 -2.007 5.757) 10.817 11.529 ( -8.395 -1.048 -7.332) 11.195 11.529 ( -8.395 -1.048 7.332) 11.195 12.907 ( 4.955 22.308 -6.304) 23.705 12.907 ( 4.955 22.308 6.304) 23.705 13.421 ( -7.095 8.000 -3.934) 11.393 13.421 ( -7.095 8.000 3.934) 11.393 14.015 ( 0.367 15.744 -2.043) 15.880 14.015 ( 0.367 15.744 2.043) 15.880 14.178 ( 1.968 0.282 -1.437) 2.453 14.178 ( 1.968 0.282 1.437) 2.453 16.157 ( 0.508 -3.841 -6.682) 7.724 16.157 ( 0.508 -3.841 6.682) 7.724 16.489 ( -1.456 -19.761 -5.210) 20.488 16.489 ( -1.456 -19.761 5.210) 20.488 17.384 ( 2.833 -10.051 -2.827) 10.819 17.384 ( 2.833 -10.051 2.827) 10.819 17.457 ( -4.857 -9.084 -2.393) 10.575 17.457 ( -4.857 -9.084 2.393) 10.575 19.420 ( 3.546 5.638 -1.761) 6.889 19.420 ( 3.546 5.638 1.761) 6.889 19.673 ( -6.345 5.052 -1.572) 8.262 19.673 ( -6.345 5.052 1.572) 8.262 21.878 ( 0.866 11.326 -0.632) 11.376 21.878 ( 0.866 11.326 0.632) 11.376 22.133 ( 2.756 3.334 -0.971) 4.433 22.133 ( 2.756 3.334 0.971) 4.433 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.000 21.374 -3.567) 21.670 1.724 ( 0.000 21.374 3.567) 21.670 2.082 ( 0.000 21.815 -5.291) 22.447 2.082 ( 0.000 21.815 5.291) 22.447 2.275 ( 0.000 12.708 -1.455) 12.791 2.275 ( 0.000 12.708 1.455) 12.791 2.747 ( 0.000 7.205 -3.201) 7.884 2.747 ( 0.000 7.205 3.201) 7.884 2.874 ( 0.000 7.312 -2.121) 7.613 2.874 ( 0.000 7.312 2.121) 7.613 3.080 ( 0.000 11.595 -7.403) 13.757 3.080 ( 0.000 11.595 7.403) 13.757 3.153 ( 0.000 7.331 -3.101) 7.960 3.153 ( 0.000 7.331 3.101) 7.960 3.466 ( 0.000 9.143 -5.259) 10.548 3.466 ( 0.000 9.143 5.259) 10.548 3.810 ( 0.000 17.159 -6.168) 18.234 3.810 ( 0.000 17.159 6.168) 18.234 3.883 ( 0.000 0.749 -6.011) 6.057 3.883 ( 0.000 0.749 6.011) 6.057 3.959 ( 0.000 9.825 -19.142) 21.516 3.959 ( 0.000 9.825 19.142) 21.516 4.442 ( 0.000 25.616 -2.134) 25.705 4.442 ( 0.000 25.616 2.134) 25.705 4.585 ( 0.000 8.381 -5.450) 9.997 4.585 ( 0.000 8.381 5.450) 9.997 4.856 ( 0.000 12.025 -1.476) 12.115 4.856 ( 0.000 12.025 1.476) 12.115 4.943 ( 0.000 18.246 -6.094) 19.237 4.943 ( 0.000 18.246 6.094) 19.237 5.123 ( 0.000 8.455 -2.138) 8.721 5.123 ( 0.000 8.455 2.138) 8.721 5.240 ( 0.000 1.497 -2.107) 2.584 5.240 ( 0.000 1.497 2.107) 2.584 5.432 ( 0.000 6.446 -5.611) 8.546 5.432 ( 0.000 6.446 5.611) 8.546 5.604 ( 0.000 -5.377 -5.338) 7.577 5.604 ( 0.000 -5.377 5.338) 7.577 6.327 ( 0.000 0.023 -2.529) 2.529 6.327 ( 0.000 0.023 2.529) 2.529 7.135 ( 0.000 -1.160 -4.363) 4.515 7.135 ( 0.000 -1.160 4.363) 4.515 7.546 ( 0.000 -2.523 -1.132) 2.765 7.546 ( 0.000 -2.523 1.132) 2.765 7.699 ( 0.000 4.016 -1.100) 4.164 7.699 ( 0.000 4.016 1.100) 4.164 8.055 ( 0.000 -2.733 -2.157) 3.482 8.055 ( 0.000 -2.733 2.157) 3.482 8.290 ( 0.000 -15.328 -4.659) 16.020 8.290 ( 0.000 -15.328 4.659) 16.020 8.525 ( 0.000 -20.008 -5.776) 20.825 8.525 ( 0.000 -20.008 5.776) 20.825 8.678 ( 0.000 -16.647 -9.111) 18.977 8.678 ( 0.000 -16.647 9.111) 18.977 8.763 ( 0.000 -12.439 -6.576) 14.070 8.763 ( 0.000 -12.439 6.576) 14.070 9.023 ( 0.000 6.086 -0.557) 6.112 9.023 ( 0.000 6.086 0.557) 6.112 9.548 ( 0.000 -2.994 -0.660) 3.066 9.548 ( 0.000 -2.994 0.660) 3.066 9.744 ( 0.000 -0.924 -4.923) 5.009 9.744 ( 0.000 -0.924 4.923) 5.009 9.884 ( 0.000 -1.808 -5.848) 6.121 9.884 ( 0.000 -1.808 5.848) 6.121 10.503 ( 0.000 -0.190 -13.075) 13.076 10.503 ( 0.000 -0.190 13.075) 13.076 10.875 ( 0.000 3.964 -4.167) 5.751 10.875 ( 0.000 3.964 4.167) 5.751 11.213 ( 0.000 3.660 -19.651) 19.989 11.213 ( 0.000 3.660 19.651) 19.989 11.709 ( 0.000 -1.027 -8.723) 8.783 11.709 ( 0.000 -1.027 8.723) 8.783 13.045 ( 0.000 14.236 -13.129) 19.366 13.045 ( 0.000 14.236 13.129) 19.366 13.715 ( 0.000 -4.926 -4.326) 6.556 13.715 ( 0.000 -4.926 4.326) 6.556 14.197 ( 0.000 9.454 -3.699) 10.152 14.197 ( 0.000 9.454 3.699) 10.152 14.319 ( 0.000 15.777 -7.768) 17.585 14.319 ( 0.000 15.777 7.768) 17.585 16.063 ( 0.000 -2.412 -11.742) 11.987 16.063 ( 0.000 -2.412 11.742) 11.987 16.260 ( 0.000 -8.240 -8.853) 12.094 16.260 ( 0.000 -8.240 8.853) 12.094 17.102 ( 0.000 -12.528 -5.142) 13.542 17.102 ( 0.000 -12.528 5.142) 13.542 17.395 ( 0.000 -11.422 -3.739) 12.018 17.395 ( 0.000 -11.422 3.739) 12.018 19.254 ( 0.000 -9.613 -1.990) 9.817 19.254 ( 0.000 -9.613 1.990) 9.817 19.825 ( 0.000 -9.811 -2.254) 10.066 19.825 ( 0.000 -9.811 2.254) 10.066 22.153 ( 0.000 16.945 -0.536) 16.954 22.153 ( 0.000 16.945 0.536) 16.954 22.249 ( 0.000 18.536 -2.465) 18.700 22.249 ( 0.000 18.536 2.465) 18.700 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 6.437 20.146 -3.481) 21.434 1.785 ( 6.437 20.146 3.481) 21.434 2.075 ( -0.470 19.502 -5.174) 20.182 2.075 ( -0.470 19.502 5.174) 20.182 2.246 ( -3.089 14.056 -0.687) 14.407 2.246 ( -3.089 14.056 0.687) 14.407 2.601 ( -12.868 7.862 -3.156) 15.407 2.601 ( -12.868 7.862 3.156) 15.407 2.876 ( -0.415 11.701 -2.260) 11.924 2.876 ( -0.415 11.701 2.260) 11.924 3.026 ( -4.334 10.907 -6.091) 13.223 3.026 ( -4.334 10.907 6.091) 13.223 3.230 ( 7.953 3.517 -3.309) 9.304 3.230 ( 7.953 3.517 3.309) 9.304 3.546 ( 5.072 10.175 -2.186) 11.578 3.546 ( 5.072 10.175 2.186) 11.578 3.804 ( -3.471 6.640 -2.855) 8.018 3.804 ( -3.471 6.640 2.855) 8.018 3.942 ( 9.890 11.828 -9.244) 17.977 3.942 ( 9.890 11.828 9.244) 17.977 4.016 ( 5.323 10.114 -17.960) 21.288 4.016 ( 5.323 10.114 17.960) 21.288 4.391 ( -3.540 19.422 -4.613) 20.274 4.391 ( -3.540 19.422 4.613) 20.274 4.585 ( -4.461 15.684 -2.709) 16.530 4.585 ( -4.461 15.684 2.709) 16.530 4.822 ( -2.067 14.411 -1.017) 14.594 4.822 ( -2.067 14.411 1.017) 14.594 4.859 ( -5.649 14.405 -4.296) 16.058 4.859 ( -5.649 14.405 4.296) 16.058 5.147 ( 1.229 5.979 -0.591) 6.132 5.147 ( 1.229 5.979 0.591) 6.132 5.248 ( 1.137 2.940 -2.481) 4.012 5.248 ( 1.137 2.940 2.481) 4.012 5.517 ( 6.250 5.811 -3.873) 9.372 5.517 ( 6.250 5.811 3.873) 9.372 5.625 ( 2.960 -5.145 -2.821) 6.572 5.625 ( 2.960 -5.145 2.821) 6.572 6.288 ( -3.636 0.535 -2.505) 4.448 6.288 ( -3.636 0.535 2.505) 4.448 7.102 ( -3.540 -0.484 -5.018) 6.160 7.102 ( -3.540 -0.484 5.018) 6.160 7.521 ( -2.065 -4.748 -2.018) 5.557 7.521 ( -2.065 -4.748 2.018) 5.557 7.738 ( 3.903 3.364 -2.422) 5.694 7.738 ( 3.903 3.364 2.422) 5.694 8.071 ( 0.746 -2.686 -3.578) 4.536 8.071 ( 0.746 -2.686 3.578) 4.536 8.331 ( 3.811 -12.946 -1.635) 13.594 8.331 ( 3.811 -12.946 1.635) 13.594 8.528 ( 1.310 -19.298 -7.116) 20.610 8.528 ( 1.310 -19.298 7.116) 20.610 8.670 ( 0.417 -20.131 -6.971) 21.308 8.670 ( 0.417 -20.131 6.971) 21.308 8.839 ( 6.170 -10.388 -5.426) 13.244 8.839 ( 6.170 -10.388 5.426) 13.244 9.038 ( 1.703 6.116 -0.965) 6.421 9.038 ( 1.703 6.116 0.965) 6.421 9.506 ( -5.723 -1.182 -0.360) 5.855 9.506 ( -5.723 -1.182 0.360) 5.855 9.629 ( -8.369 -1.561 -7.435) 11.303 9.629 ( -8.369 -1.561 7.435) 11.303 9.877 ( -2.382 -2.046 -2.762) 4.182 9.877 ( -2.382 -2.046 2.762) 4.182 10.548 ( 4.299 -0.034 -10.110) 10.986 10.548 ( 4.299 -0.034 10.110) 10.986 10.857 ( -1.646 3.710 -2.216) 4.625 10.857 ( -1.646 3.710 2.216) 4.625 11.251 ( 3.668 2.428 -16.102) 16.692 11.251 ( 3.668 2.428 16.102) 16.692 11.655 ( -5.443 -0.232 -8.885) 10.422 11.655 ( -5.443 -0.232 8.885) 10.422 13.111 ( 6.882 13.722 -12.935) 20.074 13.111 ( 6.882 13.722 12.935) 20.074 13.655 ( -6.406 -1.710 -5.481) 8.603 13.655 ( -6.406 -1.710 5.481) 8.603 14.206 ( 1.007 7.597 -2.797) 8.158 14.206 ( 1.007 7.597 2.797) 8.158 14.329 ( 0.796 15.406 -6.113) 16.594 14.329 ( 0.796 15.406 6.113) 16.594 16.077 ( 1.473 -2.185 -11.180) 11.486 16.077 ( 1.473 -2.185 11.180) 11.486 16.242 ( -1.908 -8.118 -8.846) 12.157 16.242 ( -1.908 -8.118 8.846) 12.157 17.117 ( 1.664 -12.349 -4.938) 13.404 17.117 ( 1.664 -12.349 4.938) 13.404 17.348 ( -4.678 -11.383 -3.908) 12.913 17.348 ( -4.678 -11.383 3.908) 12.913 19.293 ( 4.145 -8.821 -2.339) 10.023 19.293 ( 4.145 -8.821 2.339) 10.023 19.766 ( -6.051 -9.204 -2.291) 11.250 19.766 ( -6.051 -9.204 2.291) 11.250 22.161 ( 0.884 17.636 -0.619) 17.669 22.161 ( 0.884 17.636 0.619) 17.669 22.275 ( 2.346 16.485 -2.139) 16.788 22.275 ( 2.346 16.485 2.139) 16.788 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 8.217 18.435 -0.844) 20.200 1.931 ( 8.217 18.435 0.844) 20.200 2.063 ( -1.767 13.761 -4.239) 14.507 2.063 ( -1.767 13.761 4.239) 14.507 2.198 ( -0.034 15.429 -2.264) 15.594 2.198 ( -0.034 15.429 2.264) 15.594 2.359 ( -11.803 13.450 -5.616) 18.755 2.359 ( -11.803 13.450 5.616) 18.755 2.893 ( 2.449 12.400 -2.950) 12.979 2.893 ( 2.449 12.400 2.950) 12.979 2.952 ( -3.819 11.074 -3.503) 12.227 2.952 ( -3.819 11.074 3.503) 12.227 3.388 ( 8.256 2.262 -3.501) 9.248 3.388 ( 8.256 2.262 3.501) 9.248 3.557 ( -4.120 4.850 -2.712) 6.918 3.557 ( -4.120 4.850 2.712) 6.918 3.763 ( -0.128 8.957 -1.080) 9.023 3.763 ( -0.128 8.957 1.080) 9.023 4.093 ( 3.511 17.409 -5.617) 18.627 4.093 ( 3.511 17.409 5.617) 18.627 4.179 ( 12.415 7.779 -4.711) 15.389 4.179 ( 12.415 7.779 4.711) 15.389 4.359 ( -1.131 14.686 -4.407) 15.375 4.359 ( -1.131 14.686 4.407) 15.375 4.433 ( -8.137 19.038 -2.237) 20.825 4.433 ( -8.137 19.038 2.237) 20.825 4.655 ( -9.086 19.502 -1.963) 21.604 4.655 ( -9.086 19.502 1.963) 21.604 4.924 ( 4.738 12.582 -1.844) 13.570 4.924 ( 4.738 12.582 1.844) 13.570 5.133 ( -1.927 3.282 -1.270) 4.012 5.133 ( -1.927 3.282 1.270) 4.012 5.277 ( 1.289 1.669 -0.609) 2.195 5.277 ( 1.289 1.669 0.609) 2.195 5.576 ( 0.968 4.543 -2.353) 5.207 5.576 ( 0.968 4.543 2.353) 5.207 5.710 ( 4.035 -4.289 -0.427) 5.904 5.710 ( 4.035 -4.289 0.427) 5.904 6.229 ( -2.052 2.353 -1.184) 3.339 6.229 ( -2.052 2.353 1.184) 3.339 7.033 ( -2.865 -0.781 -2.355) 3.790 7.033 ( -2.865 -0.781 2.355) 3.790 7.493 ( -0.760 -6.586 -1.055) 6.713 7.493 ( -0.760 -6.586 1.055) 6.713 7.816 ( 3.596 3.079 -1.943) 5.117 7.816 ( 3.596 3.079 1.943) 5.117 8.048 ( -2.468 -3.036 -1.763) 4.291 8.048 ( -2.468 -3.036 1.763) 4.291 8.407 ( 3.370 -13.902 -0.330) 14.308 8.407 ( 3.370 -13.902 0.330) 14.308 8.564 ( 1.424 -19.095 -2.179) 19.271 8.564 ( 1.424 -19.095 2.179) 19.271 8.703 ( 2.620 -19.302 -3.497) 19.790 8.703 ( 2.620 -19.302 3.497) 19.790 8.921 ( 1.513 -6.467 -3.329) 7.429 8.921 ( 1.513 -6.467 3.329) 7.429 9.108 ( 7.104 1.936 -2.632) 7.819 9.108 ( 7.104 1.936 2.632) 7.819 9.320 ( -12.143 3.107 -3.075) 12.906 9.320 ( -12.143 3.107 3.075) 12.906 9.552 ( -1.159 -2.021 -2.192) 3.199 9.552 ( -1.159 -2.021 2.192) 3.199 9.815 ( -2.953 -2.358 -0.897) 3.884 9.815 ( -2.953 -2.358 0.897) 3.884 10.619 ( 2.591 -0.333 -3.854) 4.656 10.619 ( 2.591 -0.333 3.854) 4.656 10.830 ( -0.958 3.857 -0.354) 3.990 10.830 ( -0.958 3.857 0.354) 3.990 11.323 ( 3.447 -1.207 -8.178) 8.957 11.323 ( 3.447 -1.207 8.178) 8.957 11.550 ( -4.681 2.483 -6.185) 8.144 11.550 ( -4.681 2.483 6.185) 8.144 13.264 ( 8.668 13.287 -10.185) 18.853 13.264 ( 8.668 13.287 10.185) 18.853 13.508 ( -8.481 2.328 -7.305) 11.433 13.508 ( -8.481 2.328 7.305) 11.433 14.226 ( 0.816 5.118 -0.950) 5.269 14.226 ( 0.816 5.118 0.950) 5.269 14.339 ( 0.278 15.135 -2.265) 15.306 14.339 ( 0.278 15.135 2.265) 15.306 16.110 ( 1.828 -0.914 -7.537) 7.809 16.110 ( 1.828 -0.914 7.537) 7.809 16.201 ( -2.118 -8.801 -6.653) 11.234 16.201 ( -2.118 -8.801 6.653) 11.234 17.165 ( 3.657 -11.915 -4.448) 13.233 17.165 ( 3.657 -11.915 4.448) 13.233 17.251 ( -5.447 -11.515 -4.104) 13.383 17.251 ( -5.447 -11.515 4.104) 13.383 19.389 ( 5.315 -7.671 -1.854) 9.515 19.389 ( 5.315 -7.671 1.854) 9.515 19.639 ( -6.414 -8.337 -1.758) 10.665 19.639 ( -6.414 -8.337 1.758) 10.665 22.178 ( 0.637 18.096 -0.308) 18.110 22.178 ( 0.637 18.096 0.308) 18.110 22.312 ( 1.262 14.022 -0.908) 14.107 22.312 ( 1.262 14.022 0.908) 14.107 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 19.451 -2.173) 19.572 2.135 ( 0.000 19.451 2.173) 19.572 2.395 ( 0.000 11.184 -1.098) 11.237 2.395 ( 0.000 11.184 1.098) 11.237 2.639 ( 0.000 22.375 -3.866) 22.707 2.639 ( 0.000 22.375 3.866) 22.707 2.875 ( 0.000 6.231 -0.983) 6.308 2.875 ( 0.000 6.231 0.983) 6.308 3.044 ( 0.000 8.176 -2.939) 8.688 3.044 ( 0.000 8.176 2.939) 8.688 3.251 ( 0.000 3.418 -2.465) 4.214 3.251 ( 0.000 3.418 2.465) 4.214 3.293 ( 0.000 9.665 -8.666) 12.981 3.293 ( 0.000 9.665 8.666) 12.981 3.570 ( 0.000 2.905 -9.652) 10.080 3.570 ( 0.000 2.905 9.652) 10.080 3.840 ( 0.000 -4.030 -7.406) 8.431 3.840 ( 0.000 -4.030 7.406) 8.431 3.903 ( 0.000 1.482 -9.417) 9.533 3.903 ( 0.000 1.482 9.417) 9.533 4.280 ( 0.000 7.714 -6.774) 10.266 4.280 ( 0.000 7.714 6.774) 10.266 4.696 ( 0.000 12.110 -11.024) 16.376 4.696 ( 0.000 12.110 11.024) 16.376 4.952 ( 0.000 12.047 -1.660) 12.161 4.952 ( 0.000 12.047 1.660) 12.161 5.044 ( 0.000 9.793 -6.901) 11.980 5.044 ( 0.000 9.793 6.901) 11.980 5.197 ( 0.000 1.055 -4.526) 4.648 5.197 ( 0.000 1.055 4.526) 4.648 5.267 ( 0.000 13.630 -4.695) 14.416 5.267 ( 0.000 13.630 4.695) 14.416 5.378 ( 0.000 15.905 -1.238) 15.954 5.378 ( 0.000 15.905 1.238) 15.954 5.501 ( 0.000 4.112 -3.972) 5.717 5.501 ( 0.000 4.112 3.972) 5.717 5.751 ( 0.000 13.994 -3.436) 14.410 5.751 ( 0.000 13.994 3.436) 14.410 6.374 ( 0.000 5.113 -4.253) 6.651 6.374 ( 0.000 5.113 4.253) 6.651 7.103 ( 0.000 -1.741 -1.535) 2.321 7.103 ( 0.000 -1.741 1.535) 2.321 7.553 ( 0.000 0.829 -4.599) 4.673 7.553 ( 0.000 0.829 4.599) 4.673 7.681 ( 0.000 -3.829 -3.886) 5.455 7.681 ( 0.000 -3.829 3.886) 5.455 7.930 ( 0.000 -22.326 -6.405) 23.227 7.930 ( 0.000 -22.326 6.405) 23.227 7.996 ( 0.000 -11.382 -3.826) 12.008 7.996 ( 0.000 -11.382 3.826) 12.008 8.149 ( 0.000 -18.118 -3.633) 18.478 8.149 ( 0.000 -18.118 3.633) 18.478 8.223 ( 0.000 -6.013 -1.309) 6.154 8.223 ( 0.000 -6.013 1.309) 6.154 8.694 ( 0.000 -3.216 -6.152) 6.942 8.694 ( 0.000 -3.216 6.152) 6.942 9.113 ( 0.000 2.435 -2.648) 3.598 9.113 ( 0.000 2.435 2.648) 3.598 9.518 ( 0.000 -0.578 -0.567) 0.810 9.518 ( 0.000 -0.578 0.567) 0.810 9.732 ( 0.000 -2.677 -3.088) 4.087 9.732 ( 0.000 -2.677 3.088) 4.087 9.867 ( 0.000 0.244 -5.601) 5.607 9.867 ( 0.000 0.244 5.601) 5.607 10.490 ( 0.000 -0.729 -4.549) 4.607 10.490 ( 0.000 -0.729 4.549) 4.607 10.910 ( 0.000 -0.853 -1.794) 1.986 10.910 ( 0.000 -0.853 1.794) 1.987 11.308 ( 0.000 5.964 -19.974) 20.846 11.308 ( 0.000 5.964 19.974) 20.846 11.683 ( 0.000 -1.505 -8.929) 9.055 11.683 ( 0.000 -1.505 8.929) 9.055 13.275 ( 0.000 8.507 -12.792) 15.362 13.275 ( 0.000 8.507 12.792) 15.362 13.628 ( 0.000 -3.129 -3.631) 4.793 13.628 ( 0.000 -3.129 3.631) 4.793 14.382 ( 0.000 9.023 -3.574) 9.705 14.382 ( 0.000 9.023 3.574) 9.705 14.560 ( 0.000 8.595 -2.993) 9.101 14.560 ( 0.000 8.595 2.993) 9.101 16.073 ( 0.000 3.935 -4.797) 6.204 16.073 ( 0.000 3.935 4.797) 6.204 16.196 ( 0.000 0.921 -2.906) 3.048 16.196 ( 0.000 0.921 2.906) 3.048 16.860 ( 0.000 -11.794 -6.044) 13.252 16.860 ( 0.000 -11.794 6.044) 13.252 17.157 ( 0.000 -12.551 -6.025) 13.922 17.157 ( 0.000 -12.551 6.025) 13.922 19.037 ( 0.000 -11.404 -2.870) 11.760 19.037 ( 0.000 -11.404 2.870) 11.760 19.538 ( 0.000 -17.691 -2.039) 17.808 19.538 ( 0.000 -17.691 2.039) 17.808 22.515 ( 0.000 18.413 -0.002) 18.413 22.515 ( 0.000 18.413 0.002) 18.413 22.613 ( 0.000 17.448 -1.688) 17.530 22.613 ( 0.000 17.448 1.688) 17.530 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 3.630 17.986 -2.518) 18.521 2.169 ( 3.630 17.986 2.518) 18.521 2.383 ( -0.884 12.929 -1.594) 13.056 2.383 ( -0.884 12.929 1.594) 13.056 2.590 ( -5.212 18.762 -4.053) 19.890 2.590 ( -5.212 18.762 4.053) 19.890 2.784 ( -7.307 10.610 -3.056) 13.240 2.784 ( -7.307 10.610 3.056) 13.240 3.085 ( 1.498 9.018 -3.664) 9.848 3.085 ( 1.498 9.018 3.664) 9.848 3.207 ( -2.123 5.962 -6.881) 9.349 3.207 ( -2.123 5.962 6.881) 9.349 3.321 ( 4.039 7.312 -5.175) 9.826 3.321 ( 4.039 7.312 5.175) 9.826 3.642 ( 2.829 1.550 -5.305) 6.209 3.642 ( 2.829 1.550 5.305) 6.209 3.821 ( -0.626 -2.525 -5.436) 6.027 3.821 ( -0.626 -2.525 5.436) 6.027 3.988 ( 9.646 -0.305 -12.881) 16.095 3.988 ( 9.646 -0.305 12.881) 16.095 4.305 ( 2.200 6.232 -5.182) 8.398 4.305 ( 2.200 6.232 5.182) 8.398 4.685 ( -1.872 12.182 -6.869) 14.110 4.685 ( -1.872 12.182 6.869) 14.110 4.862 ( -8.427 9.228 -1.780) 12.623 4.862 ( -8.427 9.228 1.780) 12.623 5.051 ( 0.883 10.661 -1.935) 10.871 5.051 ( 0.883 10.661 1.935) 10.871 5.175 ( -2.030 13.181 -3.183) 13.711 5.175 ( -2.030 13.181 3.183) 13.711 5.248 ( -0.941 6.476 -2.338) 6.949 5.248 ( -0.941 6.476 2.338) 6.949 5.400 ( 2.065 14.838 -2.696) 15.221 5.400 ( 2.065 14.838 2.696) 15.221 5.517 ( 0.178 1.487 -3.024) 3.374 5.517 ( 0.178 1.487 3.024) 3.374 5.810 ( 5.909 14.838 -3.598) 16.371 5.810 ( 5.909 14.838 3.598) 16.371 6.352 ( -1.897 6.037 -3.884) 7.425 6.352 ( -1.897 6.037 3.884) 7.425 7.088 ( -2.049 -0.723 -2.959) 3.671 7.088 ( -2.049 -0.723 2.959) 3.671 7.461 ( -6.458 -2.559 -3.823) 7.929 7.461 ( -6.458 -2.559 3.823) 7.929 7.749 ( 5.235 -1.739 -5.246) 7.613 7.749 ( 5.235 -1.739 5.246) 7.613 7.897 ( -1.067 -18.528 -4.288) 19.048 7.897 ( -1.067 -18.528 4.288) 19.048 8.038 ( 1.263 -23.762 -3.319) 24.026 8.038 ( 1.263 -23.762 3.319) 24.026 8.144 ( -2.310 -11.915 -0.784) 12.162 8.144 ( -2.310 -11.915 0.784) 12.162 8.292 ( 8.918 -4.152 -1.844) 10.008 8.292 ( 8.918 -4.152 1.844) 10.008 8.750 ( 5.671 -3.594 -6.210) 9.145 8.750 ( 5.671 -3.594 6.210) 9.145 9.127 ( 1.138 2.704 -2.294) 3.724 9.127 ( 1.138 2.704 2.294) 3.724 9.491 ( -3.403 -0.644 -2.739) 4.415 9.491 ( -3.403 -0.644 2.739) 4.415 9.640 ( -7.095 0.056 -5.322) 8.869 9.640 ( -7.095 0.056 5.322) 8.869 9.853 ( -2.622 -0.648 -4.692) 5.414 9.853 ( -2.622 -0.648 4.692) 5.414 10.531 ( 3.975 -1.309 -3.779) 5.639 10.531 ( 3.975 -1.309 3.779) 5.639 10.877 ( -3.215 -1.860 -2.272) 4.355 10.877 ( -3.215 -1.860 2.272) 4.355 11.328 ( 1.811 5.399 -17.528) 18.430 11.328 ( 1.811 5.399 17.528) 18.430 11.652 ( -2.957 -0.124 -9.011) 9.485 11.652 ( -2.957 -0.124 9.011) 9.485 13.321 ( 4.784 7.299 -12.521) 15.263 13.321 ( 4.784 7.299 12.521) 15.263 13.609 ( -2.257 -1.981 -5.434) 6.209 13.609 ( -2.257 -1.981 5.434) 6.209 14.377 ( -0.471 9.016 -3.056) 9.532 14.377 ( -0.471 9.016 3.056) 9.532 14.565 ( 0.413 8.393 -2.821) 8.864 14.565 ( 0.413 8.393 2.821) 8.864 16.083 ( 1.045 3.506 -4.530) 5.823 16.083 ( 1.045 3.506 4.530) 5.823 16.188 ( -0.936 1.567 -2.961) 3.478 16.188 ( -0.936 1.567 2.961) 3.478 16.877 ( 1.904 -11.732 -5.937) 13.286 16.877 ( 1.904 -11.732 5.937) 13.286 17.114 ( -4.407 -12.217 -6.088) 14.343 17.114 ( -4.407 -12.217 6.088) 14.343 19.078 ( 4.376 -11.752 -2.723) 12.832 19.078 ( 4.376 -11.752 2.723) 12.832 19.493 ( -4.745 -16.964 -2.066) 17.736 19.493 ( -4.745 -16.964 2.066) 17.736 22.525 ( 1.035 18.235 -0.502) 18.271 22.525 ( 1.035 18.235 0.502) 18.271 22.618 ( 0.459 17.016 -1.581) 17.095 22.618 ( 0.459 17.016 1.581) 17.095 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 3.916 13.435 -2.040) 14.142 2.247 ( 3.916 13.435 2.040) 14.142 2.372 ( -0.595 17.661 -1.576) 17.741 2.372 ( -0.595 17.661 1.576) 17.741 2.493 ( -3.727 14.013 -1.702) 14.599 2.493 ( -3.727 14.013 1.702) 14.599 2.662 ( -4.918 15.958 -1.849) 16.800 2.662 ( -4.918 15.958 1.849) 16.800 3.086 ( -0.349 8.117 -2.169) 8.409 3.086 ( -0.349 8.117 2.169) 8.409 3.205 ( 0.620 12.444 -2.308) 12.672 3.205 ( 0.620 12.444 2.308) 12.672 3.419 ( 5.567 2.002 -3.406) 6.826 3.419 ( 5.567 2.002 3.406) 6.826 3.605 ( -4.663 0.938 -3.179) 5.721 3.605 ( -4.663 0.938 3.179) 5.721 3.835 ( 1.095 -0.746 -1.619) 2.093 3.835 ( 1.095 -0.746 1.619) 2.093 4.225 ( 14.572 -1.760 -11.771) 18.815 4.225 ( 14.572 -1.760 11.771) 18.815 4.336 ( 0.786 4.197 -4.632) 6.299 4.336 ( 0.786 4.197 4.632) 6.299 4.540 ( -12.963 2.572 -5.022) 14.138 4.540 ( -12.963 2.572 5.022) 14.138 4.803 ( 1.593 18.592 -4.901) 19.293 4.803 ( 1.593 18.592 4.901) 19.293 5.007 ( -4.107 15.142 -1.994) 15.816 5.007 ( -4.107 15.142 1.994) 15.816 5.191 ( 2.980 14.514 -0.562) 14.828 5.191 ( 2.980 14.514 0.562) 14.828 5.237 ( -0.974 5.859 -1.230) 6.065 5.237 ( -0.974 5.859 1.230) 6.065 5.429 ( 0.853 13.517 -1.280) 13.604 5.429 ( 0.853 13.517 1.280) 13.604 5.501 ( -1.146 -2.711 -1.658) 3.378 5.501 ( -1.146 -2.711 1.658) 3.378 5.911 ( 3.676 15.708 -1.896) 16.243 5.911 ( 3.676 15.708 1.896) 16.243 6.327 ( -0.644 7.080 -1.796) 7.333 6.327 ( -0.644 7.080 1.796) 7.333 7.034 ( -2.699 1.182 -1.804) 3.455 7.034 ( -2.699 1.182 1.804) 3.455 7.383 ( -1.956 -5.296 -1.671) 5.888 7.383 ( -1.956 -5.296 1.671) 5.888 7.840 ( 4.353 -3.302 -0.676) 5.506 7.840 ( 4.353 -3.302 0.676) 5.506 7.887 ( -0.888 -14.725 -3.636) 15.193 7.887 ( -0.888 -14.725 3.636) 15.193 8.043 ( -0.100 -26.386 -2.193) 26.477 8.043 ( -0.100 -26.386 2.193) 26.477 8.091 ( -2.452 -14.002 -2.505) 14.435 8.091 ( -2.452 -14.002 2.505) 14.435 8.455 ( 6.345 -2.856 -1.651) 7.151 8.455 ( 6.345 -2.856 1.651) 7.151 8.857 ( 4.416 -3.605 -3.795) 6.848 8.857 ( 4.416 -3.605 3.795) 6.848 9.146 ( 1.283 2.434 -2.075) 3.446 9.146 ( 1.283 2.434 2.075) 3.446 9.378 ( -6.976 1.322 -1.464) 7.249 9.378 ( -6.976 1.322 1.464) 7.249 9.576 ( -0.293 2.031 -0.306) 2.075 9.576 ( -0.293 2.031 0.306) 2.075 9.788 ( -3.134 -0.966 -2.091) 3.890 9.788 ( -3.134 -0.966 2.091) 3.890 10.601 ( 2.770 -1.352 -1.971) 3.659 10.601 ( 2.770 -1.352 1.971) 3.659 10.819 ( -2.390 -4.395 -1.629) 5.261 10.819 ( -2.390 -4.395 1.629) 5.261 11.358 ( 1.082 4.399 -8.187) 9.357 11.358 ( 1.082 4.399 8.187) 9.357 11.601 ( -1.878 2.360 -5.073) 5.902 11.601 ( -1.878 2.360 5.073) 5.902 13.429 ( 6.596 4.181 -11.171) 13.630 13.429 ( 6.596 4.181 11.171) 13.630 13.542 ( -5.158 1.219 -8.558) 10.066 13.542 ( -5.158 1.219 8.558) 10.066 14.371 ( -0.165 8.805 -1.226) 8.892 14.371 ( -0.165 8.805 1.226) 8.892 14.571 ( 0.197 8.160 -1.251) 8.257 14.571 ( 0.197 8.160 1.251) 8.257 16.106 ( 1.140 2.049 -2.849) 3.690 16.106 ( 1.140 2.049 2.849) 3.690 16.167 ( -1.070 3.401 -2.225) 4.203 16.167 ( -1.070 3.401 2.225) 4.203 16.930 ( 3.968 -11.623 -5.797) 13.581 16.930 ( 3.968 -11.623 5.797) 13.581 17.019 ( -5.491 -11.739 -5.957) 14.263 17.019 ( -5.491 -11.739 5.957) 14.263 19.175 ( 5.190 -12.645 -1.874) 13.797 19.175 ( 5.190 -12.645 1.874) 13.797 19.390 ( -5.426 -15.475 -1.634) 16.480 19.390 ( -5.426 -15.475 1.634) 16.480 22.543 ( 0.669 17.984 -0.372) 18.000 22.543 ( 0.669 17.984 0.372) 18.000 22.626 ( 0.238 16.312 -0.762) 16.332 22.626 ( 0.238 16.312 0.762) 16.332 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.000 11.349 -0.514) 11.361 2.449 ( 0.000 11.349 0.514) 11.361 2.600 ( 0.000 10.569 -0.870) 10.605 2.600 ( 0.000 10.569 0.870) 10.605 2.962 ( 0.000 3.675 -0.285) 3.686 2.962 ( 0.000 3.675 0.285) 3.686 3.077 ( 0.000 18.436 -1.827) 18.526 3.077 ( 0.000 18.436 1.827) 18.526 3.142 ( 0.000 2.297 -4.407) 4.970 3.142 ( 0.000 2.297 4.407) 4.970 3.319 ( 0.000 4.625 -2.474) 5.245 3.319 ( 0.000 4.625 2.474) 5.245 3.464 ( 0.000 6.903 -1.862) 7.150 3.464 ( 0.000 6.903 1.862) 7.150 3.601 ( 0.000 0.514 -6.891) 6.910 3.601 ( 0.000 0.514 6.891) 6.910 3.763 ( 0.000 -2.847 -4.289) 5.148 3.763 ( 0.000 -2.847 4.289) 5.148 3.938 ( 0.000 1.651 -6.824) 7.021 3.938 ( 0.000 1.651 6.824) 7.021 4.270 ( 0.000 -4.094 -0.152) 4.097 4.270 ( 0.000 -4.094 0.152) 4.097 4.719 ( 0.000 -12.268 -2.769) 12.577 4.719 ( 0.000 -12.268 2.769) 12.577 5.069 ( 0.000 13.267 -8.460) 15.735 5.069 ( 0.000 13.267 8.460) 15.735 5.285 ( 0.000 5.628 -6.172) 8.353 5.285 ( 0.000 5.628 6.172) 8.353 5.396 ( 0.000 12.578 -4.924) 13.507 5.396 ( 0.000 12.578 4.924) 13.507 5.510 ( 0.000 11.712 -3.897) 12.343 5.510 ( 0.000 11.712 3.897) 12.343 5.552 ( 0.000 4.066 -4.285) 5.907 5.552 ( 0.000 4.066 4.285) 5.907 5.696 ( 0.000 12.291 -1.564) 12.390 5.696 ( 0.000 12.291 1.564) 12.390 6.036 ( 0.000 14.385 -2.532) 14.606 6.036 ( 0.000 14.385 2.532) 14.606 6.509 ( 0.000 7.563 -4.057) 8.582 6.509 ( 0.000 7.563 4.057) 8.582 7.067 ( 0.000 -2.635 -1.582) 3.073 7.067 ( 0.000 -2.635 1.582) 3.073 7.400 ( 0.000 -19.653 -2.468) 19.807 7.400 ( 0.000 -19.653 2.468) 19.807 7.521 ( 0.000 -12.195 -1.190) 12.253 7.521 ( 0.000 -12.196 1.190) 12.253 7.581 ( 0.000 -13.066 -2.821) 13.367 7.581 ( 0.000 -13.066 2.821) 13.367 7.742 ( 0.000 3.032 -6.703) 7.357 7.742 ( 0.000 3.032 6.703) 7.357 8.031 ( 0.000 -2.286 -1.000) 2.495 8.031 ( 0.000 -2.286 1.000) 2.495 8.261 ( 0.000 5.261 -2.354) 5.763 8.261 ( 0.000 5.261 2.354) 5.763 8.636 ( 0.000 -1.922 -0.512) 1.990 8.636 ( 0.000 -1.922 0.512) 1.990 9.121 ( 0.000 -1.374 -5.250) 5.427 9.121 ( 0.000 -1.374 5.250) 5.427 9.486 ( 0.000 -4.157 -1.721) 4.499 9.486 ( 0.000 -4.157 1.721) 4.499 9.651 ( 0.000 -3.110 -5.255) 6.107 9.651 ( 0.000 -3.110 5.255) 6.107 9.882 ( 0.000 0.722 -3.054) 3.138 9.882 ( 0.000 0.722 3.054) 3.138 10.483 ( 0.000 0.205 -0.558) 0.595 10.483 ( 0.000 0.205 0.558) 0.595 10.855 ( 0.000 -4.066 -4.364) 5.965 10.855 ( 0.000 -4.066 4.364) 5.965 11.426 ( 0.000 5.406 -15.209) 16.141 11.426 ( 0.000 5.406 15.209) 16.141 11.654 ( 0.000 -1.340 -7.557) 7.675 11.654 ( 0.000 -1.340 7.557) 7.675 13.384 ( 0.000 3.348 -9.199) 9.790 13.384 ( 0.000 3.348 9.199) 9.790 13.593 ( 0.000 -0.975 -2.947) 3.104 13.593 ( 0.000 -0.975 2.947) 3.104 14.539 ( 0.000 6.551 -3.048) 7.226 14.539 ( 0.000 6.551 3.048) 7.226 14.671 ( 0.000 3.227 -0.188) 3.233 14.671 ( 0.000 3.227 0.188) 3.233 16.201 ( 0.000 7.856 -0.740) 7.891 16.201 ( 0.000 7.856 0.740) 7.891 16.276 ( 0.000 6.810 -2.464) 7.242 16.276 ( 0.000 6.810 2.464) 7.242 16.652 ( 0.000 -9.033 -6.232) 10.974 16.652 ( 0.000 -9.033 6.232) 10.974 16.909 ( 0.000 -12.340 -7.703) 14.547 16.909 ( 0.000 -12.340 7.703) 14.547 18.837 ( 0.000 -8.315 -1.945) 8.539 18.837 ( 0.000 -8.315 1.945) 8.539 19.187 ( 0.000 -16.589 -1.474) 16.654 19.187 ( 0.000 -16.589 1.474) 16.654 22.830 ( 0.000 12.872 -0.035) 12.872 22.830 ( 0.000 12.872 0.035) 12.872 22.909 ( 0.000 12.073 -0.690) 12.093 22.909 ( 0.000 12.073 0.690) 12.093 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 0.931 10.714 -1.883) 10.918 2.456 ( 0.931 10.714 1.883) 10.918 2.634 ( 3.580 12.554 -2.511) 13.293 2.634 ( 3.580 12.554 2.511) 13.293 2.852 ( -8.438 6.728 -3.254) 11.272 2.852 ( -8.438 6.728 3.254) 11.272 3.055 ( -4.141 16.583 -2.152) 17.227 3.055 ( -4.141 16.583 2.152) 17.227 3.194 ( 3.505 1.801 -3.000) 4.952 3.194 ( 3.505 1.801 3.000) 4.952 3.304 ( 0.445 5.537 -2.285) 6.007 3.304 ( 0.445 5.537 2.285) 6.007 3.483 ( 1.765 6.720 -2.169) 7.278 3.483 ( 1.765 6.720 2.169) 7.278 3.635 ( 0.780 -1.933 -4.201) 4.690 3.635 ( 0.780 -1.933 4.201) 4.690 3.762 ( 1.092 -1.823 -3.796) 4.350 3.762 ( 1.092 -1.823 3.796) 4.350 3.988 ( 5.917 0.239 -10.886) 12.393 3.988 ( 5.917 0.239 10.886) 12.393 4.288 ( 1.642 -4.454 -1.874) 5.103 4.288 ( 1.642 -4.454 1.874) 5.103 4.651 ( -7.164 -10.848 -3.246) 13.399 4.651 ( -7.164 -10.848 3.246) 13.399 5.099 ( 2.090 13.071 -7.748) 15.338 5.099 ( 2.090 13.071 7.748) 15.338 5.255 ( -2.301 7.877 -6.392) 10.401 5.255 ( -2.301 7.877 6.392) 10.401 5.351 ( -2.342 8.827 -1.686) 9.287 5.351 ( -2.342 8.827 1.686) 9.287 5.507 ( -1.675 11.151 -0.983) 11.318 5.507 ( -1.675 11.151 0.983) 11.318 5.565 ( 1.238 6.266 -3.665) 7.364 5.565 ( 1.238 6.266 3.665) 7.364 5.696 ( -0.361 11.344 -1.556) 11.456 5.696 ( -0.361 11.344 1.556) 11.456 6.102 ( 6.422 14.321 -3.052) 15.989 6.102 ( 6.422 14.321 3.052) 15.989 6.498 ( -1.080 7.785 -3.701) 8.687 6.498 ( -1.080 7.785 3.701) 8.687 7.071 ( 0.354 -1.959 -2.115) 2.904 7.071 ( 0.354 -1.959 2.115) 2.904 7.346 ( -6.039 -12.370 -2.371) 13.968 7.346 ( -6.039 -12.370 2.371) 13.968 7.493 ( -1.315 -17.279 -0.499) 17.337 7.493 ( -1.315 -17.279 0.499) 17.337 7.564 ( -1.075 -13.578 -4.043) 14.208 7.564 ( -1.075 -13.578 4.043) 14.208 7.780 ( 3.385 0.500 -8.074) 8.769 7.780 ( 3.385 0.500 8.074) 8.769 8.011 ( -2.658 -3.494 -2.857) 5.238 8.011 ( -2.658 -3.494 2.857) 5.238 8.361 ( 9.728 6.425 -2.403) 11.904 8.361 ( 9.728 6.425 2.403) 11.904 8.688 ( 5.081 -2.021 -1.768) 5.747 8.688 ( 5.081 -2.021 1.768) 5.747 9.141 ( 2.003 -1.202 -5.178) 5.680 9.141 ( 2.003 -1.202 5.178) 5.680 9.442 ( -4.879 -5.118 -4.598) 8.435 9.442 ( -4.879 -5.118 4.598) 8.435 9.624 ( -1.916 -0.453 -3.757) 4.242 9.624 ( -1.916 -0.453 3.757) 4.242 9.849 ( -3.723 0.100 -4.416) 5.777 9.849 ( -3.723 0.100 4.416) 5.777 10.509 ( 2.768 -0.705 -2.139) 3.568 10.509 ( 2.768 -0.705 2.139) 3.568 10.808 ( -4.698 -4.267 -4.720) 7.909 10.808 ( -4.698 -4.267 4.720) 7.909 11.440 ( 1.280 5.383 -13.256) 14.364 11.440 ( 1.280 5.383 13.256) 14.364 11.646 ( -0.787 -0.558 -7.257) 7.321 11.646 ( -0.787 -0.558 7.257) 7.321 13.411 ( 2.811 2.644 -8.903) 9.704 13.411 ( 2.811 2.644 8.903) 9.704 13.584 ( -1.151 -0.950 -4.177) 4.436 13.584 ( -1.151 -0.950 4.177) 4.436 14.538 ( -0.101 6.866 -2.648) 7.360 14.538 ( -0.101 6.866 2.648) 7.360 14.671 ( 0.010 2.972 -1.041) 3.149 14.671 ( 0.010 2.972 1.041) 3.149 16.205 ( 0.439 7.856 -0.747) 7.904 16.205 ( 0.439 7.856 0.747) 7.904 16.274 ( -0.158 6.738 -2.128) 7.068 16.274 ( -0.158 6.738 2.128) 7.068 16.669 ( 1.901 -9.085 -6.332) 11.236 16.669 ( 1.901 -9.085 6.332) 11.236 16.876 ( -3.421 -11.657 -7.665) 14.364 16.876 ( -3.421 -11.657 7.665) 14.364 18.867 ( 3.150 -9.018 -1.864) 9.733 18.867 ( 3.150 -9.018 1.864) 9.733 19.156 ( -3.273 -15.908 -1.491) 16.310 19.156 ( -3.273 -15.908 1.491) 16.310 22.838 ( 0.782 12.822 -0.446) 12.854 22.838 ( 0.782 12.822 0.446) 12.854 22.909 ( -0.056 11.866 -0.771) 11.891 22.909 ( -0.056 11.866 0.771) 11.891 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 1.737 10.726 -1.676) 10.994 2.484 ( 1.737 10.726 1.676) 10.994 2.699 ( -0.260 10.426 -0.781) 10.458 2.699 ( -0.260 10.426 0.781) 10.458 2.734 ( -0.605 13.911 -2.790) 14.201 2.734 ( -0.605 13.911 2.790) 14.201 2.953 ( -5.245 13.330 -2.181) 14.490 2.953 ( -5.245 13.330 2.181) 14.490 3.225 ( 0.484 6.213 -0.401) 6.245 3.225 ( 0.484 6.213 0.401) 6.245 3.356 ( 3.448 2.681 -0.828) 4.446 3.356 ( 3.448 2.681 0.828) 4.446 3.512 ( 1.205 6.060 -1.767) 6.426 3.512 ( 1.205 6.060 1.767) 6.426 3.594 ( -3.338 -2.188 -1.960) 4.446 3.594 ( -3.338 -2.188 1.960) 4.446 3.799 ( 1.543 -1.197 -1.642) 2.552 3.799 ( 1.543 -1.197 1.642) 2.552 4.152 ( 11.177 -4.237 -12.188) 17.071 4.152 ( 11.177 -4.237 12.188) 17.071 4.297 ( -2.364 -5.870 -5.928) 8.671 4.297 ( -2.364 -5.870 5.928) 8.671 4.492 ( -8.003 -5.781 -3.437) 10.453 4.492 ( -8.003 -5.781 3.437) 10.453 5.119 ( 0.438 11.821 -2.725) 12.139 5.119 ( 0.438 11.821 2.725) 12.139 5.228 ( -0.974 7.634 -2.807) 8.192 5.228 ( -0.974 7.634 2.807) 8.192 5.347 ( 1.492 7.003 -1.148) 7.252 5.347 ( 1.492 7.003 1.148) 7.252 5.463 ( -2.445 11.012 -0.681) 11.301 5.463 ( -2.445 11.012 0.681) 11.301 5.580 ( 0.398 9.055 -0.961) 9.115 5.580 ( 0.398 9.055 0.961) 9.115 5.684 ( -0.578 9.987 -0.875) 10.042 5.684 ( -0.578 9.987 0.875) 10.042 6.214 ( 4.330 14.307 -1.887) 15.066 6.214 ( 4.330 14.307 1.887) 15.066 6.478 ( -0.893 7.504 -1.922) 7.797 6.478 ( -0.893 7.504 1.922) 7.797 7.077 ( 0.283 2.093 -1.799) 2.775 7.077 ( 0.283 2.093 1.799) 2.775 7.236 ( -4.207 -10.643 -1.347) 11.523 7.236 ( -4.207 -10.643 1.347) 11.523 7.491 ( 0.536 -21.719 -1.570) 21.783 7.491 ( 0.536 -21.719 1.570) 21.783 7.544 ( -0.912 -13.021 -2.278) 13.250 7.544 ( -0.912 -13.021 2.278) 13.250 7.851 ( 4.206 -3.115 -7.233) 8.928 7.851 ( 4.206 -3.115 7.233) 8.928 7.944 ( -4.203 -2.513 -5.224) 7.161 7.944 ( -4.203 -2.513 5.224) 7.161 8.525 ( 5.998 7.533 -1.391) 9.729 8.525 ( 5.998 7.533 1.391) 9.729 8.784 ( 4.097 -2.901 -1.832) 5.344 8.784 ( 4.097 -2.901 1.832) 5.344 9.179 ( 1.864 0.053 -3.769) 4.205 9.179 ( 1.864 0.053 3.769) 4.205 9.335 ( -5.343 -5.400 -3.930) 8.553 9.335 ( -5.343 -5.400 3.930) 8.553 9.615 ( 0.849 2.022 -2.499) 3.325 9.615 ( 0.849 2.022 2.499) 3.325 9.766 ( -4.184 -1.307 -3.562) 5.648 9.766 ( -4.184 -1.307 3.562) 5.648 10.573 ( 3.630 -1.377 -3.105) 4.971 10.573 ( 3.630 -1.377 3.105) 4.971 10.713 ( -4.744 -5.085 -3.988) 8.017 10.713 ( -4.744 -5.085 3.988) 8.017 11.461 ( 0.730 5.384 -5.841) 7.978 11.461 ( 0.730 5.384 5.841) 7.978 11.633 ( -0.490 0.632 -3.646) 3.733 11.633 ( -0.490 0.632 3.646) 3.733 13.472 ( 3.384 1.061 -7.024) 7.868 13.472 ( 3.384 1.061 7.024) 7.868 13.550 ( -2.392 -0.409 -5.336) 5.862 13.550 ( -2.392 -0.409 5.336) 5.862 14.536 ( -0.032 7.332 -1.118) 7.417 14.536 ( -0.032 7.332 1.118) 7.417 14.671 ( -0.008 2.578 -0.642) 2.657 14.671 ( -0.008 2.578 0.642) 2.657 16.213 ( 0.309 7.870 -0.414) 7.887 16.213 ( 0.309 7.870 0.414) 7.887 16.271 ( -0.128 6.590 -0.934) 6.657 16.271 ( -0.128 6.590 0.934) 6.657 16.720 ( 3.731 -9.395 -6.715) 12.136 16.720 ( 3.731 -9.395 6.715) 12.136 16.799 ( -4.671 -10.326 -7.314) 13.488 16.799 ( -4.671 -10.326 7.314) 13.488 18.937 ( 3.816 -10.549 -1.338) 11.297 18.937 ( 3.816 -10.549 1.338) 11.297 19.084 ( -3.896 -14.404 -1.200) 14.970 19.084 ( -3.896 -14.404 1.200) 14.970 22.852 ( 0.560 12.818 -0.365) 12.836 22.852 ( 0.560 12.818 0.365) 12.836 22.907 ( -0.115 11.462 -0.472) 11.473 22.907 ( -0.115 11.462 0.472) 11.473 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.000 2.938 -0.437) 2.971 2.581 ( 0.000 2.938 0.437) 2.971 2.790 ( 0.000 7.142 -1.308) 7.261 2.790 ( 0.000 7.142 1.308) 7.261 2.968 ( 0.000 -1.976 -0.254) 1.993 2.968 ( 0.000 -1.976 0.254) 1.993 3.132 ( 0.000 -0.457 -1.631) 1.694 3.132 ( 0.000 -0.457 1.631) 1.694 3.395 ( 0.000 8.167 -2.799) 8.633 3.395 ( 0.000 8.167 2.799) 8.633 3.420 ( 0.000 5.291 -0.573) 5.321 3.420 ( 0.000 5.291 0.573) 5.321 3.541 ( 0.000 2.280 -4.358) 4.919 3.541 ( 0.000 2.280 4.358) 4.918 3.600 ( 0.000 -0.774 -4.084) 4.157 3.600 ( 0.000 -0.774 4.084) 4.157 3.748 ( 0.000 0.743 -2.016) 2.148 3.748 ( 0.000 0.743 2.016) 2.148 3.942 ( 0.000 -1.221 -2.312) 2.614 3.942 ( 0.000 -1.221 2.312) 2.614 4.192 ( 0.000 -2.909 -1.444) 3.248 4.192 ( 0.000 -2.909 1.444) 3.248 4.514 ( 0.000 -6.070 -1.561) 6.267 4.514 ( 0.000 -6.070 1.561) 6.267 5.254 ( 0.000 4.754 -5.417) 7.208 5.254 ( 0.000 4.754 5.417) 7.208 5.340 ( 0.000 0.712 -4.017) 4.079 5.340 ( 0.000 0.712 4.017) 4.079 5.541 ( 0.000 3.365 -3.806) 5.080 5.541 ( 0.000 3.365 3.806) 5.080 5.626 ( 0.000 2.493 -1.056) 2.707 5.626 ( 0.000 2.493 1.056) 2.707 5.699 ( 0.000 5.675 -1.718) 5.929 5.699 ( 0.000 5.675 1.718) 5.929 5.864 ( 0.000 4.377 -0.698) 4.432 5.864 ( 0.000 4.377 0.698) 4.432 6.299 ( 0.000 10.850 -2.558) 11.148 6.299 ( 0.000 10.850 2.558) 11.148 6.624 ( 0.000 2.585 -1.416) 2.947 6.624 ( 0.000 2.585 1.416) 2.948 6.975 ( 0.000 -6.732 -4.646) 8.180 6.975 ( 0.000 -6.732 4.646) 8.180 7.025 ( 0.000 -10.973 -3.391) 11.485 7.025 ( 0.000 -10.973 3.391) 11.485 7.389 ( 0.000 -2.031 -0.004) 2.031 7.389 ( 0.000 -2.031 0.004) 2.031 7.443 ( 0.000 -3.047 -2.522) 3.956 7.443 ( 0.000 -3.047 2.522) 3.956 7.820 ( 0.000 2.898 -2.596) 3.891 7.820 ( 0.000 2.898 2.597) 3.891 8.000 ( 0.000 -1.068 -0.244) 1.095 8.000 ( 0.000 -1.068 0.244) 1.095 8.347 ( 0.000 2.599 -1.084) 2.816 8.347 ( 0.000 2.599 1.084) 2.816 8.631 ( 0.000 0.795 -1.777) 1.947 8.631 ( 0.000 0.795 1.777) 1.947 9.083 ( 0.000 -1.604 -3.206) 3.585 9.083 ( 0.000 -1.604 3.206) 3.585 9.374 ( 0.000 -4.615 -2.422) 5.212 9.374 ( 0.000 -4.615 2.422) 5.212 9.636 ( 0.000 0.288 -0.840) 0.888 9.636 ( 0.000 0.288 0.840) 0.888 9.889 ( 0.000 0.092 -1.186) 1.189 9.889 ( 0.000 0.092 1.186) 1.189 10.496 ( 0.000 0.722 -0.507) 0.882 10.496 ( 0.000 0.722 0.507) 0.882 10.781 ( 0.000 -2.567 -2.444) 3.544 10.781 ( 0.000 -2.567 2.444) 3.544 11.504 ( 0.000 2.227 -5.590) 6.017 11.504 ( 0.000 2.227 5.590) 6.017 11.632 ( 0.000 -0.744 -3.183) 3.269 11.632 ( 0.000 -0.744 3.183) 3.269 13.431 ( 0.000 1.549 -3.261) 3.610 13.431 ( 0.000 1.549 3.261) 3.610 13.573 ( 0.000 -0.951 -1.336) 1.640 13.573 ( 0.000 -0.951 1.336) 1.640 14.630 ( 0.000 2.462 -1.266) 2.769 14.630 ( 0.000 2.462 1.266) 2.769 14.706 ( 0.000 0.679 -0.411) 0.794 14.706 ( 0.000 0.679 0.411) 0.794 16.348 ( 0.000 6.811 -3.680) 7.741 16.348 ( 0.000 6.811 3.680) 7.741 16.420 ( 0.000 4.239 -3.608) 5.567 16.420 ( 0.000 4.239 3.608) 5.567 16.522 ( 0.000 -2.142 -3.813) 4.374 16.522 ( 0.000 -2.142 3.813) 4.374 16.685 ( 0.000 -9.722 -6.875) 11.908 16.685 ( 0.000 -9.722 6.875) 11.908 18.725 ( 0.000 -2.846 -0.660) 2.922 18.725 ( 0.000 -2.846 0.660) 2.922 18.940 ( 0.000 -7.187 -0.592) 7.212 18.940 ( 0.000 -7.187 0.592) 7.212 23.003 ( 0.000 4.508 -0.046) 4.508 23.003 ( 0.000 4.508 0.046) 4.508 23.072 ( 0.000 4.289 -0.138) 4.291 23.072 ( 0.000 4.289 0.138) 4.291 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 1.918 3.666 -1.144) 4.293 2.597 ( 1.918 3.666 1.144) 4.293 2.839 ( 3.632 7.348 -1.717) 8.374 2.839 ( 3.632 7.348 1.717) 8.374 2.909 ( -3.517 -0.163 -2.558) 4.351 2.909 ( -3.517 -0.163 2.558) 4.351 3.183 ( 3.599 -1.193 -1.760) 4.180 3.183 ( 3.599 -1.193 1.760) 4.180 3.348 ( -4.369 10.006 -1.567) 11.030 3.348 ( -4.369 10.006 1.567) 11.030 3.409 ( -1.044 4.220 -0.907) 4.441 3.409 ( -1.044 4.220 0.907) 4.441 3.521 ( -1.305 -0.345 -4.181) 4.393 3.521 ( -1.305 -0.345 4.181) 4.393 3.592 ( -1.809 -3.555 -2.592) 4.757 3.592 ( -1.809 -3.555 2.592) 4.757 3.796 ( 4.649 4.670 -6.715) 9.409 3.796 ( 4.649 4.670 6.715) 9.409 3.970 ( 3.049 -2.839 -8.085) 9.095 3.970 ( 3.049 -2.839 8.085) 9.095 4.199 ( 0.759 -3.118 -1.986) 3.774 4.199 ( 0.759 -3.118 1.986) 3.774 4.469 ( -4.638 -5.470 -1.962) 7.435 4.469 ( -4.638 -5.470 1.962) 7.435 5.259 ( 0.148 3.348 -3.164) 4.608 5.259 ( 0.148 3.348 3.164) 4.608 5.349 ( 0.271 2.347 -1.874) 3.015 5.349 ( 0.271 2.347 1.874) 3.015 5.500 ( -2.384 4.903 -1.978) 5.800 5.500 ( -2.384 4.903 1.978) 5.800 5.621 ( -0.714 2.469 -0.476) 2.614 5.621 ( -0.714 2.469 0.476) 2.614 5.709 ( 0.981 4.926 -0.995) 5.120 5.709 ( 0.981 4.926 0.995) 5.120 5.843 ( -2.181 3.542 -0.823) 4.240 5.843 ( -2.181 3.542 0.823) 4.240 6.356 ( 5.511 10.202 -2.657) 11.896 6.356 ( 5.511 10.202 2.657) 11.896 6.615 ( -1.040 2.674 -1.440) 3.210 6.615 ( -1.040 2.674 1.440) 3.210 6.977 ( 0.383 -6.156 -3.989) 7.345 6.977 ( 0.383 -6.156 3.989) 7.345 7.036 ( 0.931 -11.032 -2.859) 11.435 7.036 ( 0.931 -11.033 2.859) 11.435 7.352 ( -4.081 0.026 -0.419) 4.103 7.352 ( -4.081 0.026 0.419) 4.103 7.410 ( -2.289 -4.533 -2.013) 5.462 7.410 ( -2.289 -4.533 2.013) 5.462 7.822 ( 0.366 2.341 -3.010) 3.831 7.822 ( 0.366 2.341 3.010) 3.831 7.963 ( -3.456 -1.770 -0.899) 3.985 7.963 ( -3.456 -1.770 0.899) 3.985 8.466 ( 11.396 3.113 -1.108) 11.866 8.466 ( 11.396 3.113 1.108) 11.866 8.688 ( 5.207 1.341 -1.825) 5.678 8.688 ( 5.207 1.341 1.825) 5.678 9.098 ( 1.641 -2.119 -3.590) 4.480 9.098 ( 1.641 -2.119 3.590) 4.480 9.328 ( -4.751 -4.393 -2.796) 7.049 9.328 ( -4.751 -4.393 2.796) 7.049 9.631 ( -0.288 0.538 -0.904) 1.091 9.631 ( -0.288 0.538 0.904) 1.091 9.849 ( -4.451 -0.085 -1.827) 4.812 9.849 ( -4.451 -0.085 1.827) 4.812 10.505 ( 1.353 0.154 -1.125) 1.766 10.505 ( 1.353 0.154 1.125) 1.766 10.738 ( -4.350 -2.213 -2.554) 5.508 10.738 ( -4.350 -2.213 2.554) 5.508 11.523 ( 1.759 2.603 -5.277) 6.141 11.523 ( 1.759 2.603 5.277) 6.141 11.630 ( -0.280 -0.851 -3.357) 3.474 11.630 ( -0.280 -0.851 3.357) 3.474 13.448 ( 1.731 1.216 -3.210) 3.844 13.448 ( 1.731 1.216 3.210) 3.844 13.563 ( -1.112 -0.952 -1.761) 2.290 13.563 ( -1.112 -0.952 1.761) 2.290 14.634 ( 0.495 2.721 -1.225) 3.024 14.634 ( 0.495 2.721 1.225) 3.024 14.701 ( -0.524 0.433 -0.642) 0.935 14.701 ( -0.524 0.433 0.642) 0.936 16.355 ( 0.701 6.850 -3.803) 7.866 16.355 ( 0.701 6.850 3.803) 7.866 16.414 ( -0.593 4.762 -3.858) 6.157 16.414 ( -0.593 4.762 3.858) 6.157 16.534 ( 1.339 -3.201 -4.435) 5.631 16.534 ( 1.339 -3.201 4.435) 5.631 16.667 ( -1.959 -9.034 -6.767) 11.456 16.667 ( -1.959 -9.034 6.767) 11.456 18.744 ( 2.028 -3.154 -0.658) 3.807 18.744 ( 2.028 -3.154 0.658) 3.807 18.919 ( -2.219 -6.902 -0.603) 7.275 18.919 ( -2.219 -6.902 0.603) 7.275 23.012 ( 0.861 4.554 -0.191) 4.638 23.012 ( 0.861 4.554 0.191) 4.638 23.069 ( -0.428 4.172 -0.229) 4.200 23.069 ( -0.428 4.172 0.229) 4.200 ======================= Grid point 194 (63/63) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 3.662 5.432 -1.296) 6.678 2.651 ( 3.662 5.432 1.296) 6.678 2.781 ( -5.138 0.631 -1.339) 5.347 2.781 ( -5.138 0.631 1.339) 5.347 2.996 ( 8.194 9.187 -2.904) 12.649 2.996 ( 8.194 9.187 2.904) 12.649 3.162 ( -6.576 6.247 -1.848) 9.257 3.162 ( -6.576 6.247 1.848) 9.257 3.326 ( 2.741 3.620 -1.610) 4.818 3.326 ( 2.741 3.620 1.610) 4.818 3.384 ( -1.844 1.350 -1.787) 2.901 3.384 ( -1.844 1.350 1.787) 2.901 3.502 ( -0.787 -3.264 -2.874) 4.420 3.502 ( -0.787 -3.264 2.874) 4.420 3.548 ( -1.975 -4.368 -1.572) 5.045 3.548 ( -1.975 -4.368 1.572) 5.045 3.866 ( 2.132 7.844 -4.188) 9.144 3.866 ( 2.132 7.844 4.188) 9.144 4.043 ( 3.814 -8.135 -7.597) 11.766 4.043 ( 3.814 -8.135 7.597) 11.766 4.222 ( 1.817 0.248 -2.941) 3.465 4.222 ( 1.817 0.248 2.941) 3.465 4.369 ( -5.271 -5.336 -1.284) 7.610 4.369 ( -5.271 -5.336 1.284) 7.610 5.262 ( 0.423 3.797 -1.434) 4.081 5.262 ( 0.423 3.797 1.434) 4.081 5.318 ( -2.495 1.723 -1.971) 3.617 5.318 ( -2.495 1.723 1.971) 3.617 5.512 ( 2.436 6.939 -0.914) 7.411 5.512 ( 2.436 6.939 0.914) 7.411 5.597 ( -1.734 2.506 -0.996) 3.206 5.597 ( -1.734 2.506 0.996) 3.206 5.732 ( 1.324 4.858 -0.216) 5.040 5.732 ( 1.324 4.858 0.216) 5.040 5.798 ( -2.272 1.864 -0.682) 3.017 5.798 ( -2.272 1.864 0.682) 3.017 6.456 ( 4.333 9.615 -1.751) 10.691 6.456 ( 4.333 9.615 1.751) 10.691 6.587 ( -1.772 2.077 -1.148) 2.962 6.587 ( -1.772 2.077 1.148) 2.962 6.990 ( 0.805 -6.199 -1.775) 6.498 6.990 ( 0.805 -6.199 1.775) 6.498 7.048 ( 0.210 -9.591 -1.106) 9.657 7.048 ( 0.210 -9.591 1.106) 9.657 7.280 ( -2.633 2.106 -0.283) 3.383 7.280 ( -2.633 2.106 0.283) 3.384 7.379 ( -1.082 -6.250 -0.743) 6.386 7.379 ( -1.082 -6.250 0.743) 6.386 7.835 ( 0.939 1.504 -2.020) 2.687 7.835 ( 0.939 1.504 2.020) 2.687 7.904 ( -2.433 -2.386 -1.134) 3.591 7.904 ( -2.433 -2.386 1.134) 3.591 8.671 ( 8.672 5.109 -0.324) 10.070 8.671 ( 8.672 5.109 0.324) 10.070 8.767 ( 2.235 0.988 -1.384) 2.808 8.767 ( 2.235 0.988 1.384) 2.808 9.140 ( 3.063 -2.916 -4.058) 5.861 9.140 ( 3.063 -2.916 4.058) 5.861 9.224 ( -5.885 -4.010 -3.494) 7.932 9.224 ( -5.885 -4.010 3.494) 7.932 9.645 ( 2.446 0.869 -1.587) 3.042 9.645 ( 2.446 0.869 1.587) 3.043 9.743 ( -6.248 -0.740 -2.120) 6.640 9.743 ( -6.248 -0.740 2.120) 6.640 10.553 ( 3.852 -0.542 -1.990) 4.369 10.553 ( 3.852 -0.542 1.990) 4.369 10.644 ( -5.409 -1.738 -2.473) 6.196 10.644 ( -5.409 -1.738 2.473) 6.196 11.554 ( 1.255 3.748 -3.016) 4.972 11.554 ( 1.255 3.748 3.016) 4.972 11.623 ( -0.419 -1.551 -2.298) 2.804 11.623 ( -0.419 -1.551 2.298) 2.804 13.487 ( 2.332 0.557 -2.820) 3.701 13.487 ( 2.332 0.557 2.820) 3.701 13.534 ( -1.957 -0.824 -2.311) 3.138 13.534 ( -1.957 -0.824 2.311) 3.138 14.644 ( 0.464 3.505 -0.713) 3.606 14.644 ( 0.464 3.505 0.713) 3.606 14.691 ( -0.480 -0.336 -0.524) 0.786 14.691 ( -0.480 -0.336 0.524) 0.786 16.370 ( 0.792 6.990 -3.074) 7.677 16.370 ( 0.792 6.990 3.074) 7.677 16.401 ( -0.740 5.308 -3.141) 6.212 16.401 ( -0.740 5.308 3.141) 6.212 16.570 ( 2.525 -5.267 -5.514) 8.033 16.570 ( 2.525 -5.267 5.514) 8.033 16.621 ( -2.893 -7.344 -6.333) 10.120 16.621 ( -2.893 -7.344 6.333) 10.120 18.793 ( 2.982 -3.627 -0.584) 4.732 18.793 ( 2.983 -3.627 0.584) 4.732 18.868 ( -3.100 -6.463 -0.563) 7.190 18.868 ( -3.100 -6.463 0.563) 7.190 23.030 ( 0.951 4.890 -0.242) 4.988 23.030 ( 0.951 4.890 0.242) 4.988 23.058 ( -0.684 3.721 -0.254) 3.792 23.058 ( -0.684 3.721 0.254) 3.792 =================== 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 3/24960 10.0 2595.315 2609.139 1560.711 0.000 0.000 -0.000 3/24960 20.0 466.801 670.248 349.660 0.000 0.000 0.000 3/24960 30.0 159.821 278.230 120.263 0.000 0.000 0.000 3/24960 40.0 78.396 148.912 59.542 0.000 0.000 0.000 3/24960 50.0 47.269 94.336 36.346 0.000 0.000 0.000 3/24960 60.0 32.267 66.449 25.081 0.000 0.000 0.000 3/24960 70.0 23.871 50.231 18.712 0.000 0.000 0.000 3/24960 80.0 18.672 39.915 14.730 0.000 0.000 0.000 3/24960 90.0 15.209 32.906 12.057 0.000 0.000 0.000 3/24960 100.0 12.772 27.896 10.164 0.000 0.000 0.000 3/24960 110.0 10.981 24.169 8.766 0.000 0.000 0.000 3/24960 120.0 9.619 21.305 7.699 0.000 0.000 0.000 3/24960 130.0 8.553 19.044 6.862 0.000 0.000 0.000 3/24960 140.0 7.698 17.219 6.190 0.000 0.000 0.000 3/24960 150.0 6.999 15.718 5.639 0.000 0.000 0.000 3/24960 160.0 6.418 14.462 5.181 0.000 0.000 0.000 3/24960 170.0 5.927 13.398 4.793 0.000 0.000 0.000 3/24960 180.0 5.508 12.484 4.461 0.000 0.000 0.000 3/24960 190.0 5.145 11.691 4.174 0.000 0.000 0.000 3/24960 200.0 4.829 10.997 3.923 0.000 0.000 0.000 3/24960 210.0 4.550 10.384 3.702 0.000 0.000 0.000 3/24960 220.0 4.303 9.839 3.505 0.000 0.000 0.000 3/24960 230.0 4.082 9.350 3.329 0.000 0.000 0.000 3/24960 240.0 3.883 8.910 3.170 0.000 0.000 0.000 3/24960 250.0 3.704 8.511 3.027 0.000 0.000 0.000 3/24960 260.0 3.541 8.148 2.896 0.000 0.000 0.000 3/24960 270.0 3.392 7.816 2.777 0.000 0.000 0.000 3/24960 280.0 3.256 7.511 2.667 0.000 0.000 0.000 3/24960 290.0 3.130 7.229 2.566 0.000 0.000 0.000 3/24960 300.0 3.014 6.969 2.473 0.000 0.000 0.000 3/24960 310.0 2.907 6.728 2.387 0.000 0.000 0.000 3/24960 320.0 2.807 6.504 2.306 0.000 0.000 0.000 3/24960 330.0 2.714 6.294 2.231 0.000 0.000 0.000 3/24960 340.0 2.627 6.098 2.161 0.000 0.000 0.000 3/24960 350.0 2.546 5.914 2.095 0.000 0.000 0.000 3/24960 360.0 2.470 5.741 2.033 0.000 0.000 0.000 3/24960 370.0 2.398 5.579 1.975 0.000 0.000 0.000 3/24960 380.0 2.331 5.425 1.920 0.000 0.000 0.000 3/24960 390.0 2.267 5.280 1.869 0.000 0.000 0.000 3/24960 400.0 2.207 5.143 1.820 0.000 0.000 0.000 3/24960 410.0 2.150 5.013 1.773 0.000 0.000 0.000 3/24960 420.0 2.095 4.889 1.729 0.000 0.000 0.000 3/24960 430.0 2.044 4.772 1.687 0.000 0.000 0.000 3/24960 440.0 1.995 4.660 1.647 0.000 0.000 0.000 3/24960 450.0 1.949 4.553 1.609 0.000 0.000 0.000 3/24960 460.0 1.904 4.452 1.573 0.000 0.000 0.000 3/24960 470.0 1.862 4.354 1.538 0.000 0.000 0.000 3/24960 480.0 1.821 4.261 1.505 0.000 0.000 0.000 3/24960 490.0 1.783 4.172 1.473 0.000 0.000 0.000 3/24960 500.0 1.745 4.087 1.443 0.000 0.000 0.000 3/24960 510.0 1.710 4.005 1.414 0.000 0.000 0.000 3/24960 520.0 1.676 3.926 1.386 0.000 0.000 0.000 3/24960 530.0 1.643 3.851 1.359 0.000 0.000 0.000 3/24960 540.0 1.612 3.778 1.333 0.000 0.000 0.000 3/24960 550.0 1.581 3.708 1.308 0.000 0.000 0.000 3/24960 560.0 1.552 3.641 1.285 0.000 0.000 0.000 3/24960 570.0 1.524 3.576 1.261 0.000 0.000 0.000 3/24960 580.0 1.497 3.513 1.239 0.000 0.000 0.000 3/24960 590.0 1.471 3.453 1.218 0.000 0.000 0.000 3/24960 600.0 1.446 3.394 1.197 0.000 0.000 0.000 3/24960 610.0 1.421 3.338 1.177 0.000 0.000 0.000 3/24960 620.0 1.398 3.283 1.158 0.000 0.000 0.000 3/24960 630.0 1.375 3.231 1.139 0.000 0.000 0.000 3/24960 640.0 1.353 3.180 1.121 0.000 0.000 0.000 3/24960 650.0 1.332 3.130 1.103 0.000 0.000 0.000 3/24960 660.0 1.311 3.082 1.086 0.000 0.000 0.000 3/24960 670.0 1.291 3.036 1.070 0.000 0.000 0.000 3/24960 680.0 1.272 2.990 1.054 0.000 0.000 0.000 3/24960 690.0 1.253 2.947 1.038 0.000 0.000 0.000 3/24960 700.0 1.235 2.904 1.023 0.000 0.000 0.000 3/24960 710.0 1.217 2.863 1.009 0.000 0.000 0.000 3/24960 720.0 1.200 2.823 0.994 0.000 0.000 0.000 3/24960 730.0 1.183 2.784 0.981 0.000 0.000 0.000 3/24960 740.0 1.167 2.746 0.967 0.000 0.000 0.000 3/24960 750.0 1.151 2.709 0.954 0.000 0.000 0.000 3/24960 760.0 1.135 2.673 0.941 0.000 0.000 0.000 3/24960 770.0 1.120 2.638 0.929 0.000 0.000 0.000 3/24960 780.0 1.106 2.604 0.917 0.000 0.000 0.000 3/24960 790.0 1.092 2.571 0.905 0.000 0.000 0.000 3/24960 800.0 1.078 2.538 0.894 0.000 0.000 0.000 3/24960 810.0 1.064 2.507 0.883 0.000 0.000 0.000 3/24960 820.0 1.051 2.476 0.872 0.000 0.000 0.000 3/24960 830.0 1.038 2.446 0.861 0.000 0.000 0.000 3/24960 840.0 1.026 2.416 0.851 0.000 0.000 0.000 3/24960 850.0 1.013 2.388 0.841 0.000 0.000 0.000 3/24960 860.0 1.001 2.360 0.831 0.000 0.000 0.000 3/24960 870.0 0.990 2.333 0.821 0.000 0.000 0.000 3/24960 880.0 0.978 2.306 0.812 0.000 0.000 0.000 3/24960 890.0 0.967 2.280 0.803 0.000 0.000 0.000 3/24960 900.0 0.956 2.254 0.794 0.000 0.000 0.000 3/24960 910.0 0.946 2.230 0.785 0.000 0.000 0.000 3/24960 920.0 0.935 2.205 0.776 0.000 0.000 0.000 3/24960 930.0 0.925 2.181 0.768 0.000 0.000 0.000 3/24960 940.0 0.915 2.158 0.759 0.000 0.000 0.000 3/24960 950.0 0.905 2.135 0.751 0.000 0.000 0.000 3/24960 960.0 0.896 2.113 0.744 0.000 0.000 0.000 3/24960 970.0 0.887 2.091 0.736 0.000 0.000 0.000 3/24960 980.0 0.877 2.070 0.728 0.000 0.000 0.000 3/24960 990.0 0.869 2.049 0.721 0.000 0.000 0.000 3/24960 1000.0 0.860 2.028 0.714 0.000 0.000 0.000 3/24960 Thermal conductivity related properties were written into "kappa-m5134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:56:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|