----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:34:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.139662019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698704230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.529275980000000 Atomic positions (fractional): *1 O 0.04460046837103 0.75000000000000 0.50000000000000 15.999 2 O 0.95539953162897 0.25000000000000 0.00000000000000 15.999 3 O 0.95539953162897 0.25000000000000 0.50000000000000 15.999 4 O 0.04460046837103 0.75000000000000 0.00000000000000 15.999 *5 F 0.10261062682206 0.41451482750172 0.75000000000000 18.998 6 F 0.10261062682206 0.08548517249828 0.25000000000000 18.998 7 F 0.89738937317794 0.58548517249828 0.25000000000000 18.998 8 F 0.89738937317794 0.91451482750172 0.75000000000000 18.998 *9 F 0.31956366881689 0.91874298894114 0.51208029364636 18.998 10 F 0.31956366881689 0.58125701105886 0.48791970635364 18.998 11 F 0.68043633118311 0.08125701105886 0.01208029364636 18.998 12 F 0.68043633118311 0.41874298894114 0.98791970635364 18.998 13 F 0.68043633118311 0.08125701105886 0.48791970635364 18.998 14 F 0.68043633118311 0.41874298894114 0.51208029364636 18.998 15 F 0.31956366881689 0.91874298894114 0.98791970635364 18.998 16 F 0.31956366881689 0.58125701105886 0.01208029364636 18.998 *17 F 0.50962895401731 0.76401883705073 0.75000000000000 18.998 18 F 0.50962895401731 0.73598116294927 0.25000000000000 18.998 19 F 0.49037104598269 0.23598116294927 0.25000000000000 18.998 20 F 0.49037104598269 0.26401883705073 0.75000000000000 18.998 *21 Ti 0.18570456592234 0.82341764256312 0.75000000000000 47.867 22 Ti 0.18570456592234 0.67658235743688 0.25000000000000 47.867 23 Ti 0.81429543407766 0.17658235743688 0.25000000000000 47.867 24 Ti 0.81429543407766 0.32341764256312 0.75000000000000 47.867 *25 Ba 0.24078101099606 0.09312996624284 0.75000000000000 137.327 26 Ba 0.24078101099606 0.40687003375716 0.25000000000000 137.327 27 Ba 0.75921898900394 0.90687003375716 0.25000000000000 137.327 28 Ba 0.75921898900394 0.59312996624284 0.75000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.139662019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698704230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.529275980000000 Atomic positions (fractional): *1 O 0.04460046837103 0.75000000000000 0.50000000000000 15.999 > 1 2 O 0.95539953162897 0.25000000000000 0.00000000000000 15.999 > 2 3 O 0.95539953162897 0.25000000000000 0.50000000000000 15.999 > 3 4 O 0.04460046837103 0.75000000000000 0.00000000000000 15.999 > 4 *5 F 0.10261062682206 0.41451482750172 0.75000000000000 18.998 > 5 6 F 0.10261062682206 0.08548517249828 0.25000000000000 18.998 > 6 7 F 0.89738937317794 0.58548517249828 0.25000000000000 18.998 > 7 8 F 0.89738937317794 0.91451482750172 0.75000000000000 18.998 > 8 *9 F 0.31956366881689 0.91874298894114 0.51208029364636 18.998 > 9 10 F 0.31956366881689 0.58125701105886 0.48791970635364 18.998 > 10 11 F 0.68043633118311 0.08125701105886 0.01208029364636 18.998 > 11 12 F 0.68043633118311 0.41874298894114 0.98791970635364 18.998 > 12 13 F 0.68043633118311 0.08125701105886 0.48791970635364 18.998 > 13 14 F 0.68043633118311 0.41874298894114 0.51208029364636 18.998 > 14 15 F 0.31956366881689 0.91874298894114 0.98791970635364 18.998 > 15 16 F 0.31956366881689 0.58125701105886 0.01208029364636 18.998 > 16 *17 F 0.50962895401731 0.76401883705073 0.75000000000000 18.998 > 17 18 F 0.50962895401731 0.73598116294927 0.25000000000000 18.998 > 18 19 F 0.49037104598269 0.23598116294927 0.25000000000000 18.998 > 19 20 F 0.49037104598269 0.26401883705073 0.75000000000000 18.998 > 20 *21 Ti 0.18570456592234 0.82341764256312 0.75000000000000 47.867 > 21 22 Ti 0.18570456592234 0.67658235743688 0.25000000000000 47.867 > 22 23 Ti 0.81429543407766 0.17658235743688 0.25000000000000 47.867 > 23 24 Ti 0.81429543407766 0.32341764256312 0.75000000000000 47.867 > 24 *25 Ba 0.24078101099606 0.09312996624284 0.75000000000000 137.327 > 25 26 Ba 0.24078101099606 0.40687003375716 0.25000000000000 137.327 > 26 27 Ba 0.75921898900394 0.90687003375716 0.25000000000000 137.327 > 27 28 Ba 0.75921898900394 0.59312996624284 0.75000000000000 137.327 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.279324039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698704230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.058551960000001 Atomic positions (fractional): *1 O 0.02230023418552 0.75000000000000 0.25000000000000 15.999 > 1 2 O 0.52230023418552 0.75000000000000 0.25000000000000 15.999 > 1 3 O 0.02230023418552 0.75000000000000 0.75000000000000 15.999 > 1 4 O 0.52230023418552 0.75000000000000 0.75000000000000 15.999 > 1 5 O 0.47769976581448 0.25000000000000 0.00000000000000 15.999 > 2 6 O 0.97769976581448 0.25000000000000 0.00000000000000 15.999 > 2 7 O 0.47769976581448 0.25000000000000 0.50000000000000 15.999 > 2 8 O 0.97769976581448 0.25000000000000 0.50000000000000 15.999 > 2 9 O 0.47769976581448 0.25000000000000 0.25000000000000 15.999 > 3 10 O 0.97769976581448 0.25000000000000 0.25000000000000 15.999 > 3 11 O 0.47769976581448 0.25000000000000 0.75000000000000 15.999 > 3 12 O 0.97769976581448 0.25000000000000 0.75000000000000 15.999 > 3 13 O 0.02230023418552 0.75000000000000 0.00000000000000 15.999 > 4 14 O 0.52230023418552 0.75000000000000 0.00000000000000 15.999 > 4 15 O 0.02230023418552 0.75000000000000 0.50000000000000 15.999 > 4 16 O 0.52230023418552 0.75000000000000 0.50000000000000 15.999 > 4 *17 F 0.05130531341103 0.41451482750172 0.37500000000000 18.998 > 5 18 F 0.55130531341103 0.41451482750172 0.37500000000000 18.998 > 5 19 F 0.05130531341103 0.41451482750172 0.87500000000000 18.998 > 5 20 F 0.55130531341103 0.41451482750172 0.87500000000000 18.998 > 5 21 F 0.05130531341103 0.08548517249828 0.12500000000000 18.998 > 6 22 F 0.55130531341103 0.08548517249828 0.12500000000000 18.998 > 6 23 F 0.05130531341103 0.08548517249828 0.62500000000000 18.998 > 6 24 F 0.55130531341103 0.08548517249828 0.62500000000000 18.998 > 6 25 F 0.44869468658897 0.58548517249828 0.12500000000000 18.998 > 7 26 F 0.94869468658897 0.58548517249828 0.12500000000000 18.998 > 7 27 F 0.44869468658897 0.58548517249828 0.62500000000000 18.998 > 7 28 F 0.94869468658897 0.58548517249828 0.62500000000000 18.998 > 7 29 F 0.44869468658897 0.91451482750172 0.37500000000000 18.998 > 8 30 F 0.94869468658897 0.91451482750172 0.37500000000000 18.998 > 8 31 F 0.44869468658897 0.91451482750172 0.87500000000000 18.998 > 8 32 F 0.94869468658897 0.91451482750172 0.87500000000000 18.998 > 8 *33 F 0.15978183440845 0.91874298894114 0.25604014682318 18.998 > 9 34 F 0.65978183440845 0.91874298894114 0.25604014682318 18.998 > 9 35 F 0.15978183440845 0.91874298894114 0.75604014682318 18.998 > 9 36 F 0.65978183440845 0.91874298894114 0.75604014682318 18.998 > 9 37 F 0.15978183440845 0.58125701105886 0.24395985317682 18.998 > 10 38 F 0.65978183440845 0.58125701105886 0.24395985317682 18.998 > 10 39 F 0.15978183440845 0.58125701105886 0.74395985317682 18.998 > 10 40 F 0.65978183440845 0.58125701105886 0.74395985317682 18.998 > 10 41 F 0.34021816559155 0.08125701105886 0.00604014682318 18.998 > 11 42 F 0.84021816559155 0.08125701105886 0.00604014682318 18.998 > 11 43 F 0.34021816559155 0.08125701105886 0.50604014682318 18.998 > 11 44 F 0.84021816559155 0.08125701105886 0.50604014682318 18.998 > 11 45 F 0.34021816559155 0.41874298894114 0.49395985317682 18.998 > 12 46 F 0.84021816559155 0.41874298894114 0.49395985317682 18.998 > 12 47 F 0.34021816559155 0.41874298894114 0.99395985317682 18.998 > 12 48 F 0.84021816559155 0.41874298894114 0.99395985317682 18.998 > 12 49 F 0.34021816559155 0.08125701105886 0.24395985317682 18.998 > 13 50 F 0.84021816559155 0.08125701105886 0.24395985317682 18.998 > 13 51 F 0.34021816559155 0.08125701105886 0.74395985317682 18.998 > 13 52 F 0.84021816559155 0.08125701105886 0.74395985317682 18.998 > 13 53 F 0.34021816559155 0.41874298894114 0.25604014682318 18.998 > 14 54 F 0.84021816559155 0.41874298894114 0.25604014682318 18.998 > 14 55 F 0.34021816559155 0.41874298894114 0.75604014682318 18.998 > 14 56 F 0.84021816559155 0.41874298894114 0.75604014682318 18.998 > 14 57 F 0.15978183440845 0.91874298894114 0.49395985317682 18.998 > 15 58 F 0.65978183440845 0.91874298894114 0.49395985317682 18.998 > 15 59 F 0.15978183440845 0.91874298894114 0.99395985317682 18.998 > 15 60 F 0.65978183440845 0.91874298894114 0.99395985317682 18.998 > 15 61 F 0.15978183440845 0.58125701105886 0.00604014682318 18.998 > 16 62 F 0.65978183440845 0.58125701105886 0.00604014682318 18.998 > 16 63 F 0.15978183440845 0.58125701105886 0.50604014682318 18.998 > 16 64 F 0.65978183440845 0.58125701105886 0.50604014682318 18.998 > 16 *65 F 0.25481447700865 0.76401883705073 0.37500000000000 18.998 > 17 66 F 0.75481447700865 0.76401883705073 0.37500000000000 18.998 > 17 67 F 0.25481447700865 0.76401883705073 0.87500000000000 18.998 > 17 68 F 0.75481447700865 0.76401883705073 0.87500000000000 18.998 > 17 69 F 0.25481447700865 0.73598116294927 0.12500000000000 18.998 > 18 70 F 0.75481447700865 0.73598116294927 0.12500000000000 18.998 > 18 71 F 0.25481447700865 0.73598116294927 0.62500000000000 18.998 > 18 72 F 0.75481447700865 0.73598116294927 0.62500000000000 18.998 > 18 73 F 0.24518552299135 0.23598116294927 0.12500000000000 18.998 > 19 74 F 0.74518552299135 0.23598116294927 0.12500000000000 18.998 > 19 75 F 0.24518552299135 0.23598116294927 0.62500000000000 18.998 > 19 76 F 0.74518552299135 0.23598116294927 0.62500000000000 18.998 > 19 77 F 0.24518552299135 0.26401883705073 0.37500000000000 18.998 > 20 78 F 0.74518552299135 0.26401883705073 0.37500000000000 18.998 > 20 79 F 0.24518552299135 0.26401883705073 0.87500000000000 18.998 > 20 80 F 0.74518552299135 0.26401883705073 0.87500000000000 18.998 > 20 *81 Ti 0.09285228296117 0.82341764256312 0.37500000000000 47.867 > 21 82 Ti 0.59285228296117 0.82341764256312 0.37500000000000 47.867 > 21 83 Ti 0.09285228296117 0.82341764256312 0.87500000000000 47.867 > 21 84 Ti 0.59285228296117 0.82341764256312 0.87500000000000 47.867 > 21 85 Ti 0.09285228296117 0.67658235743688 0.12500000000000 47.867 > 22 86 Ti 0.59285228296117 0.67658235743688 0.12500000000000 47.867 > 22 87 Ti 0.09285228296117 0.67658235743688 0.62500000000000 47.867 > 22 88 Ti 0.59285228296117 0.67658235743688 0.62500000000000 47.867 > 22 89 Ti 0.40714771703883 0.17658235743688 0.12500000000000 47.867 > 23 90 Ti 0.90714771703883 0.17658235743688 0.12500000000000 47.867 > 23 91 Ti 0.40714771703883 0.17658235743688 0.62500000000000 47.867 > 23 92 Ti 0.90714771703883 0.17658235743688 0.62500000000000 47.867 > 23 93 Ti 0.40714771703883 0.32341764256312 0.37500000000000 47.867 > 24 94 Ti 0.90714771703883 0.32341764256312 0.37500000000000 47.867 > 24 95 Ti 0.40714771703883 0.32341764256312 0.87500000000000 47.867 > 24 96 Ti 0.90714771703883 0.32341764256312 0.87500000000000 47.867 > 24 *97 Ba 0.12039050549803 0.09312996624284 0.37500000000000 137.327 > 25 98 Ba 0.62039050549803 0.09312996624284 0.37500000000000 137.327 > 25 99 Ba 0.12039050549803 0.09312996624284 0.87500000000000 137.327 > 25 100 Ba 0.62039050549803 0.09312996624284 0.87500000000000 137.327 > 25 101 Ba 0.12039050549803 0.40687003375716 0.12500000000000 137.327 > 26 102 Ba 0.62039050549803 0.40687003375716 0.12500000000000 137.327 > 26 103 Ba 0.12039050549803 0.40687003375716 0.62500000000000 137.327 > 26 104 Ba 0.62039050549803 0.40687003375716 0.62500000000000 137.327 > 26 105 Ba 0.37960949450197 0.90687003375716 0.12500000000000 137.327 > 27 106 Ba 0.87960949450197 0.90687003375716 0.12500000000000 137.327 > 27 107 Ba 0.37960949450197 0.90687003375716 0.62500000000000 137.327 > 27 108 Ba 0.87960949450197 0.90687003375716 0.62500000000000 137.327 > 27 109 Ba 0.37960949450197 0.59312996624284 0.37500000000000 137.327 > 28 110 Ba 0.87960949450197 0.59312996624284 0.37500000000000 137.327 > 28 111 Ba 0.37960949450197 0.59312996624284 0.87500000000000 137.327 > 28 112 Ba 0.87960949450197 0.59312996624284 0.87500000000000 137.327 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8800822 0.0000000 0.0000000 0.0000000 3.1537349 0.0000000 0.0000000 0.0000000 3.7205209 -------------------------- Born effective charges -------------------------- 1 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 -1.1687983 0.0000000 -2.0504578 -4.3635308 2 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 1.1687983 0.0000000 2.0504578 -4.3635308 3 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 -1.1687983 0.0000000 -2.0504578 -4.3635308 4 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 1.1687983 0.0000000 2.0504578 -4.3635308 5 F -1.3430916 -0.4699254 0.0000000 -0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 6 F -1.3430916 0.4699254 0.0000000 0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 7 F -1.3430916 -0.4699254 0.0000000 -0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 8 F -1.3430916 0.4699254 0.0000000 0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 9 F -1.1232702 -0.2135431 0.3520940 -0.2996589 -1.6008007 0.4089883 0.4424385 0.3904245 -1.4406730 10 F -1.1232702 0.2135431 -0.3520940 0.2996589 -1.6008007 0.4089883 -0.4424385 0.3904245 -1.4406730 11 F -1.1232702 -0.2135431 -0.3520940 -0.2996589 -1.6008007 -0.4089883 -0.4424385 -0.3904245 -1.4406730 12 F -1.1232702 0.2135431 0.3520940 0.2996589 -1.6008007 -0.4089883 0.4424385 -0.3904245 -1.4406730 13 F -1.1232702 -0.2135431 0.3520940 -0.2996589 -1.6008007 0.4089883 0.4424385 0.3904245 -1.4406730 14 F -1.1232702 0.2135431 -0.3520940 0.2996589 -1.6008007 0.4089883 -0.4424385 0.3904245 -1.4406730 15 F -1.1232702 -0.2135431 -0.3520940 -0.2996589 -1.6008007 -0.4089883 -0.4424385 -0.3904245 -1.4406730 16 F -1.1232702 0.2135431 0.3520940 0.2996589 -1.6008007 -0.4089883 0.4424385 -0.3904245 -1.4406730 17 F -1.7826065 0.6469163 0.0000000 0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 18 F -1.7826065 -0.6469163 0.0000000 -0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 19 F -1.7826065 0.6469163 0.0000000 0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 20 F -1.7826065 -0.6469163 0.0000000 -0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 21 Ti 3.7980709 -0.0513698 0.0000000 0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 22 Ti 3.7980709 0.0513698 0.0000000 -0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 23 Ti 3.7980709 -0.0513698 0.0000000 0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 24 Ti 3.7980709 0.0513698 0.0000000 -0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 25 Ba 2.8206097 0.0211373 0.0000000 0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 26 Ba 2.8206097 -0.0211373 0.0000000 -0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 27 Ba 2.8206097 0.0211373 0.0000000 0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 28 Ba 2.8206097 -0.0211373 0.0000000 -0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1924 Number of blocks in projector: 1924 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: 452 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1924, 1890), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (324, 322), data: True |-- (332, 328), data: True |-- (452, 442), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.066 Solver_block: 200 / 480 - Time: 3.077 Solver_block: 300 / 480 - Time: 3.072 Solver_block: 400 / 480 - Time: 3.075 Solver_block: 480 / 480 - Time: 2.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.827 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1924 Number of blocks in projector: 1924 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: 452 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 272 Use standard eigh solver. Tree of FC basis block matrices: - (1924, 1890), data: False |-- (272, 266), data: True |-- (272, 266), data: True |-- (272, 266), data: True |-- (324, 322), data: True |-- (332, 328), data: True |-- (452, 442), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:34:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:34:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.139662019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698704230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.529275980000000 Atomic positions (fractional): 1 O 0.04460046837103 0.75000000000000 0.50000000000000 15.999 2 O 0.95539953162897 0.25000000000000 0.00000000000000 15.999 3 O 0.95539953162897 0.25000000000000 0.50000000000000 15.999 4 O 0.04460046837103 0.75000000000000 0.00000000000000 15.999 5 F 0.10261062682206 0.41451482750172 0.75000000000000 18.998 6 F 0.10261062682206 0.08548517249828 0.25000000000000 18.998 7 F 0.89738937317794 0.58548517249828 0.25000000000000 18.998 8 F 0.89738937317794 0.91451482750172 0.75000000000000 18.998 9 F 0.31956366881689 0.91874298894114 0.51208029364636 18.998 10 F 0.31956366881689 0.58125701105886 0.48791970635364 18.998 11 F 0.68043633118311 0.08125701105886 0.01208029364636 18.998 12 F 0.68043633118311 0.41874298894114 0.98791970635364 18.998 13 F 0.68043633118311 0.08125701105886 0.48791970635364 18.998 14 F 0.68043633118311 0.41874298894114 0.51208029364636 18.998 15 F 0.31956366881689 0.91874298894114 0.98791970635364 18.998 16 F 0.31956366881689 0.58125701105886 0.01208029364636 18.998 17 F 0.50962895401731 0.76401883705073 0.75000000000000 18.998 18 F 0.50962895401731 0.73598116294927 0.25000000000000 18.998 19 F 0.49037104598269 0.23598116294927 0.25000000000000 18.998 20 F 0.49037104598269 0.26401883705073 0.75000000000000 18.998 21 Ti 0.18570456592234 0.82341764256312 0.75000000000000 47.867 22 Ti 0.18570456592234 0.67658235743688 0.25000000000000 47.867 23 Ti 0.81429543407766 0.17658235743688 0.25000000000000 47.867 24 Ti 0.81429543407766 0.32341764256312 0.75000000000000 47.867 25 Ba 0.24078101099606 0.09312996624284 0.75000000000000 137.327 26 Ba 0.24078101099606 0.40687003375716 0.25000000000000 137.327 27 Ba 0.75921898900394 0.90687003375716 0.25000000000000 137.327 28 Ba 0.75921898900394 0.59312996624284 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.279324039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698704230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.058551960000001 Atomic positions (fractional): 1 O 0.02230023418552 0.75000000000000 0.25000000000000 15.999 > 1 2 O 0.52230023418552 0.75000000000000 0.25000000000000 15.999 > 1 3 O 0.02230023418552 0.75000000000000 0.75000000000000 15.999 > 1 4 O 0.52230023418552 0.75000000000000 0.75000000000000 15.999 > 1 5 O 0.47769976581448 0.25000000000000 0.00000000000000 15.999 > 5 6 O 0.97769976581448 0.25000000000000 0.00000000000000 15.999 > 5 7 O 0.47769976581448 0.25000000000000 0.50000000000000 15.999 > 5 8 O 0.97769976581448 0.25000000000000 0.50000000000000 15.999 > 5 9 O 0.47769976581448 0.25000000000000 0.25000000000000 15.999 > 9 10 O 0.97769976581448 0.25000000000000 0.25000000000000 15.999 > 9 11 O 0.47769976581448 0.25000000000000 0.75000000000000 15.999 > 9 12 O 0.97769976581448 0.25000000000000 0.75000000000000 15.999 > 9 13 O 0.02230023418552 0.75000000000000 0.00000000000000 15.999 > 13 14 O 0.52230023418552 0.75000000000000 0.00000000000000 15.999 > 13 15 O 0.02230023418552 0.75000000000000 0.50000000000000 15.999 > 13 16 O 0.52230023418552 0.75000000000000 0.50000000000000 15.999 > 13 17 F 0.05130531341103 0.41451482750172 0.37500000000000 18.998 > 17 18 F 0.55130531341103 0.41451482750172 0.37500000000000 18.998 > 17 19 F 0.05130531341103 0.41451482750172 0.87500000000000 18.998 > 17 20 F 0.55130531341103 0.41451482750172 0.87500000000000 18.998 > 17 21 F 0.05130531341103 0.08548517249828 0.12500000000000 18.998 > 21 22 F 0.55130531341103 0.08548517249828 0.12500000000000 18.998 > 21 23 F 0.05130531341103 0.08548517249828 0.62500000000000 18.998 > 21 24 F 0.55130531341103 0.08548517249828 0.62500000000000 18.998 > 21 25 F 0.44869468658897 0.58548517249828 0.12500000000000 18.998 > 25 26 F 0.94869468658897 0.58548517249828 0.12500000000000 18.998 > 25 27 F 0.44869468658897 0.58548517249828 0.62500000000000 18.998 > 25 28 F 0.94869468658897 0.58548517249828 0.62500000000000 18.998 > 25 29 F 0.44869468658897 0.91451482750172 0.37500000000000 18.998 > 29 30 F 0.94869468658897 0.91451482750172 0.37500000000000 18.998 > 29 31 F 0.44869468658897 0.91451482750172 0.87500000000000 18.998 > 29 32 F 0.94869468658897 0.91451482750172 0.87500000000000 18.998 > 29 33 F 0.15978183440845 0.91874298894114 0.25604014682318 18.998 > 33 34 F 0.65978183440845 0.91874298894114 0.25604014682318 18.998 > 33 35 F 0.15978183440845 0.91874298894114 0.75604014682318 18.998 > 33 36 F 0.65978183440845 0.91874298894114 0.75604014682318 18.998 > 33 37 F 0.15978183440845 0.58125701105886 0.24395985317682 18.998 > 37 38 F 0.65978183440845 0.58125701105886 0.24395985317682 18.998 > 37 39 F 0.15978183440845 0.58125701105886 0.74395985317682 18.998 > 37 40 F 0.65978183440845 0.58125701105886 0.74395985317682 18.998 > 37 41 F 0.34021816559155 0.08125701105886 0.00604014682318 18.998 > 41 42 F 0.84021816559155 0.08125701105886 0.00604014682318 18.998 > 41 43 F 0.34021816559155 0.08125701105886 0.50604014682318 18.998 > 41 44 F 0.84021816559155 0.08125701105886 0.50604014682318 18.998 > 41 45 F 0.34021816559155 0.41874298894114 0.49395985317682 18.998 > 45 46 F 0.84021816559155 0.41874298894114 0.49395985317682 18.998 > 45 47 F 0.34021816559155 0.41874298894114 0.99395985317682 18.998 > 45 48 F 0.84021816559155 0.41874298894114 0.99395985317682 18.998 > 45 49 F 0.34021816559155 0.08125701105886 0.24395985317682 18.998 > 49 50 F 0.84021816559155 0.08125701105886 0.24395985317682 18.998 > 49 51 F 0.34021816559155 0.08125701105886 0.74395985317682 18.998 > 49 52 F 0.84021816559155 0.08125701105886 0.74395985317682 18.998 > 49 53 F 0.34021816559155 0.41874298894114 0.25604014682318 18.998 > 53 54 F 0.84021816559155 0.41874298894114 0.25604014682318 18.998 > 53 55 F 0.34021816559155 0.41874298894114 0.75604014682318 18.998 > 53 56 F 0.84021816559155 0.41874298894114 0.75604014682318 18.998 > 53 57 F 0.15978183440845 0.91874298894114 0.49395985317682 18.998 > 57 58 F 0.65978183440845 0.91874298894114 0.49395985317682 18.998 > 57 59 F 0.15978183440845 0.91874298894114 0.99395985317682 18.998 > 57 60 F 0.65978183440845 0.91874298894114 0.99395985317682 18.998 > 57 61 F 0.15978183440845 0.58125701105886 0.00604014682318 18.998 > 61 62 F 0.65978183440845 0.58125701105886 0.00604014682318 18.998 > 61 63 F 0.15978183440845 0.58125701105886 0.50604014682318 18.998 > 61 64 F 0.65978183440845 0.58125701105886 0.50604014682318 18.998 > 61 65 F 0.25481447700865 0.76401883705073 0.37500000000000 18.998 > 65 66 F 0.75481447700865 0.76401883705073 0.37500000000000 18.998 > 65 67 F 0.25481447700865 0.76401883705073 0.87500000000000 18.998 > 65 68 F 0.75481447700865 0.76401883705073 0.87500000000000 18.998 > 65 69 F 0.25481447700865 0.73598116294927 0.12500000000000 18.998 > 69 70 F 0.75481447700865 0.73598116294927 0.12500000000000 18.998 > 69 71 F 0.25481447700865 0.73598116294927 0.62500000000000 18.998 > 69 72 F 0.75481447700865 0.73598116294927 0.62500000000000 18.998 > 69 73 F 0.24518552299135 0.23598116294927 0.12500000000000 18.998 > 73 74 F 0.74518552299135 0.23598116294927 0.12500000000000 18.998 > 73 75 F 0.24518552299135 0.23598116294927 0.62500000000000 18.998 > 73 76 F 0.74518552299135 0.23598116294927 0.62500000000000 18.998 > 73 77 F 0.24518552299135 0.26401883705073 0.37500000000000 18.998 > 77 78 F 0.74518552299135 0.26401883705073 0.37500000000000 18.998 > 77 79 F 0.24518552299135 0.26401883705073 0.87500000000000 18.998 > 77 80 F 0.74518552299135 0.26401883705073 0.87500000000000 18.998 > 77 81 Ti 0.09285228296117 0.82341764256312 0.37500000000000 47.867 > 81 82 Ti 0.59285228296117 0.82341764256312 0.37500000000000 47.867 > 81 83 Ti 0.09285228296117 0.82341764256312 0.87500000000000 47.867 > 81 84 Ti 0.59285228296117 0.82341764256312 0.87500000000000 47.867 > 81 85 Ti 0.09285228296117 0.67658235743688 0.12500000000000 47.867 > 85 86 Ti 0.59285228296117 0.67658235743688 0.12500000000000 47.867 > 85 87 Ti 0.09285228296117 0.67658235743688 0.62500000000000 47.867 > 85 88 Ti 0.59285228296117 0.67658235743688 0.62500000000000 47.867 > 85 89 Ti 0.40714771703883 0.17658235743688 0.12500000000000 47.867 > 89 90 Ti 0.90714771703883 0.17658235743688 0.12500000000000 47.867 > 89 91 Ti 0.40714771703883 0.17658235743688 0.62500000000000 47.867 > 89 92 Ti 0.90714771703883 0.17658235743688 0.62500000000000 47.867 > 89 93 Ti 0.40714771703883 0.32341764256312 0.37500000000000 47.867 > 93 94 Ti 0.90714771703883 0.32341764256312 0.37500000000000 47.867 > 93 95 Ti 0.40714771703883 0.32341764256312 0.87500000000000 47.867 > 93 96 Ti 0.90714771703883 0.32341764256312 0.87500000000000 47.867 > 93 97 Ba 0.12039050549803 0.09312996624284 0.37500000000000 137.327 > 97 98 Ba 0.62039050549803 0.09312996624284 0.37500000000000 137.327 > 97 99 Ba 0.12039050549803 0.09312996624284 0.87500000000000 137.327 > 97 100 Ba 0.62039050549803 0.09312996624284 0.87500000000000 137.327 > 97 101 Ba 0.12039050549803 0.40687003375716 0.12500000000000 137.327 > 101 102 Ba 0.62039050549803 0.40687003375716 0.12500000000000 137.327 > 101 103 Ba 0.12039050549803 0.40687003375716 0.62500000000000 137.327 > 101 104 Ba 0.62039050549803 0.40687003375716 0.62500000000000 137.327 > 101 105 Ba 0.37960949450197 0.90687003375716 0.12500000000000 137.327 > 105 106 Ba 0.87960949450197 0.90687003375716 0.12500000000000 137.327 > 105 107 Ba 0.37960949450197 0.90687003375716 0.62500000000000 137.327 > 105 108 Ba 0.87960949450197 0.90687003375716 0.62500000000000 137.327 > 105 109 Ba 0.37960949450197 0.59312996624284 0.37500000000000 137.327 > 109 110 Ba 0.87960949450197 0.59312996624284 0.37500000000000 137.327 > 109 111 Ba 0.37960949450197 0.59312996624284 0.87500000000000 137.327 > 109 112 Ba 0.87960949450197 0.59312996624284 0.87500000000000 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8800822 0.0000000 0.0000000 0.0000000 3.1537349 0.0000000 0.0000000 0.0000000 3.7205209 -------------------------- Born effective charges -------------------------- 1 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 -1.1687983 0.0000000 -2.0504578 -4.3635308 2 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 1.1687983 0.0000000 2.0504578 -4.3635308 3 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 -1.1687983 0.0000000 -2.0504578 -4.3635308 4 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 1.1687983 0.0000000 2.0504578 -4.3635308 5 F -1.3430916 -0.4699254 0.0000000 -0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 6 F -1.3430916 0.4699254 0.0000000 0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 7 F -1.3430916 -0.4699254 0.0000000 -0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 8 F -1.3430916 0.4699254 0.0000000 0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 9 F -1.1232702 -0.2135431 0.3520940 -0.2996589 -1.6008007 0.4089883 0.4424385 0.3904245 -1.4406730 10 F -1.1232702 0.2135431 -0.3520940 0.2996589 -1.6008007 0.4089883 -0.4424385 0.3904245 -1.4406730 11 F -1.1232702 -0.2135431 -0.3520940 -0.2996589 -1.6008007 -0.4089883 -0.4424385 -0.3904245 -1.4406730 12 F -1.1232702 0.2135431 0.3520940 0.2996589 -1.6008007 -0.4089883 0.4424385 -0.3904245 -1.4406730 13 F -1.1232702 -0.2135431 0.3520940 -0.2996589 -1.6008007 0.4089883 0.4424385 0.3904245 -1.4406730 14 F -1.1232702 0.2135431 -0.3520940 0.2996589 -1.6008007 0.4089883 -0.4424385 0.3904245 -1.4406730 15 F -1.1232702 -0.2135431 -0.3520940 -0.2996589 -1.6008007 -0.4089883 -0.4424385 -0.3904245 -1.4406730 16 F -1.1232702 0.2135431 0.3520940 0.2996589 -1.6008007 -0.4089883 0.4424385 -0.3904245 -1.4406730 17 F -1.7826065 0.6469163 0.0000000 0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 18 F -1.7826065 -0.6469163 0.0000000 -0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 19 F -1.7826065 0.6469163 0.0000000 0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 20 F -1.7826065 -0.6469163 0.0000000 -0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 21 Ti 3.7980709 -0.0513698 0.0000000 0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 22 Ti 3.7980709 0.0513698 0.0000000 -0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 23 Ti 3.7980709 -0.0513698 0.0000000 0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 24 Ti 3.7980709 0.0513698 0.0000000 -0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 25 Ba 2.8206097 0.0211373 0.0000000 0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 26 Ba 2.8206097 -0.0211373 0.0000000 -0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 27 Ba 2.8206097 0.0211373 0.0000000 0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 28 Ba 2.8206097 -0.0211373 0.0000000 -0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zy) 0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:35:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:35:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.139662019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698704230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.529275980000000 Atomic positions (fractional): 1 O 0.04460046837103 0.75000000000000 0.50000000000000 15.999 2 O 0.95539953162897 0.25000000000000 0.00000000000000 15.999 3 O 0.95539953162897 0.25000000000000 0.50000000000000 15.999 4 O 0.04460046837103 0.75000000000000 0.00000000000000 15.999 5 F 0.10261062682206 0.41451482750172 0.75000000000000 18.998 6 F 0.10261062682206 0.08548517249828 0.25000000000000 18.998 7 F 0.89738937317794 0.58548517249828 0.25000000000000 18.998 8 F 0.89738937317794 0.91451482750172 0.75000000000000 18.998 9 F 0.31956366881689 0.91874298894114 0.51208029364636 18.998 10 F 0.31956366881689 0.58125701105886 0.48791970635364 18.998 11 F 0.68043633118311 0.08125701105886 0.01208029364636 18.998 12 F 0.68043633118311 0.41874298894114 0.98791970635364 18.998 13 F 0.68043633118311 0.08125701105886 0.48791970635364 18.998 14 F 0.68043633118311 0.41874298894114 0.51208029364636 18.998 15 F 0.31956366881689 0.91874298894114 0.98791970635364 18.998 16 F 0.31956366881689 0.58125701105886 0.01208029364636 18.998 17 F 0.50962895401731 0.76401883705073 0.75000000000000 18.998 18 F 0.50962895401731 0.73598116294927 0.25000000000000 18.998 19 F 0.49037104598269 0.23598116294927 0.25000000000000 18.998 20 F 0.49037104598269 0.26401883705073 0.75000000000000 18.998 21 Ti 0.18570456592234 0.82341764256312 0.75000000000000 47.867 22 Ti 0.18570456592234 0.67658235743688 0.25000000000000 47.867 23 Ti 0.81429543407766 0.17658235743688 0.25000000000000 47.867 24 Ti 0.81429543407766 0.32341764256312 0.75000000000000 47.867 25 Ba 0.24078101099606 0.09312996624284 0.75000000000000 137.327 26 Ba 0.24078101099606 0.40687003375716 0.25000000000000 137.327 27 Ba 0.75921898900394 0.90687003375716 0.25000000000000 137.327 28 Ba 0.75921898900394 0.59312996624284 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.279324039999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.698704230000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.058551960000001 Atomic positions (fractional): 1 O 0.02230023418552 0.75000000000000 0.25000000000000 15.999 > 1 2 O 0.52230023418552 0.75000000000000 0.25000000000000 15.999 > 1 3 O 0.02230023418552 0.75000000000000 0.75000000000000 15.999 > 1 4 O 0.52230023418552 0.75000000000000 0.75000000000000 15.999 > 1 5 O 0.47769976581448 0.25000000000000 0.00000000000000 15.999 > 5 6 O 0.97769976581448 0.25000000000000 0.00000000000000 15.999 > 5 7 O 0.47769976581448 0.25000000000000 0.50000000000000 15.999 > 5 8 O 0.97769976581448 0.25000000000000 0.50000000000000 15.999 > 5 9 O 0.47769976581448 0.25000000000000 0.25000000000000 15.999 > 9 10 O 0.97769976581448 0.25000000000000 0.25000000000000 15.999 > 9 11 O 0.47769976581448 0.25000000000000 0.75000000000000 15.999 > 9 12 O 0.97769976581448 0.25000000000000 0.75000000000000 15.999 > 9 13 O 0.02230023418552 0.75000000000000 0.00000000000000 15.999 > 13 14 O 0.52230023418552 0.75000000000000 0.00000000000000 15.999 > 13 15 O 0.02230023418552 0.75000000000000 0.50000000000000 15.999 > 13 16 O 0.52230023418552 0.75000000000000 0.50000000000000 15.999 > 13 17 F 0.05130531341103 0.41451482750172 0.37500000000000 18.998 > 17 18 F 0.55130531341103 0.41451482750172 0.37500000000000 18.998 > 17 19 F 0.05130531341103 0.41451482750172 0.87500000000000 18.998 > 17 20 F 0.55130531341103 0.41451482750172 0.87500000000000 18.998 > 17 21 F 0.05130531341103 0.08548517249828 0.12500000000000 18.998 > 21 22 F 0.55130531341103 0.08548517249828 0.12500000000000 18.998 > 21 23 F 0.05130531341103 0.08548517249828 0.62500000000000 18.998 > 21 24 F 0.55130531341103 0.08548517249828 0.62500000000000 18.998 > 21 25 F 0.44869468658897 0.58548517249828 0.12500000000000 18.998 > 25 26 F 0.94869468658897 0.58548517249828 0.12500000000000 18.998 > 25 27 F 0.44869468658897 0.58548517249828 0.62500000000000 18.998 > 25 28 F 0.94869468658897 0.58548517249828 0.62500000000000 18.998 > 25 29 F 0.44869468658897 0.91451482750172 0.37500000000000 18.998 > 29 30 F 0.94869468658897 0.91451482750172 0.37500000000000 18.998 > 29 31 F 0.44869468658897 0.91451482750172 0.87500000000000 18.998 > 29 32 F 0.94869468658897 0.91451482750172 0.87500000000000 18.998 > 29 33 F 0.15978183440845 0.91874298894114 0.25604014682318 18.998 > 33 34 F 0.65978183440845 0.91874298894114 0.25604014682318 18.998 > 33 35 F 0.15978183440845 0.91874298894114 0.75604014682318 18.998 > 33 36 F 0.65978183440845 0.91874298894114 0.75604014682318 18.998 > 33 37 F 0.15978183440845 0.58125701105886 0.24395985317682 18.998 > 37 38 F 0.65978183440845 0.58125701105886 0.24395985317682 18.998 > 37 39 F 0.15978183440845 0.58125701105886 0.74395985317682 18.998 > 37 40 F 0.65978183440845 0.58125701105886 0.74395985317682 18.998 > 37 41 F 0.34021816559155 0.08125701105886 0.00604014682318 18.998 > 41 42 F 0.84021816559155 0.08125701105886 0.00604014682318 18.998 > 41 43 F 0.34021816559155 0.08125701105886 0.50604014682318 18.998 > 41 44 F 0.84021816559155 0.08125701105886 0.50604014682318 18.998 > 41 45 F 0.34021816559155 0.41874298894114 0.49395985317682 18.998 > 45 46 F 0.84021816559155 0.41874298894114 0.49395985317682 18.998 > 45 47 F 0.34021816559155 0.41874298894114 0.99395985317682 18.998 > 45 48 F 0.84021816559155 0.41874298894114 0.99395985317682 18.998 > 45 49 F 0.34021816559155 0.08125701105886 0.24395985317682 18.998 > 49 50 F 0.84021816559155 0.08125701105886 0.24395985317682 18.998 > 49 51 F 0.34021816559155 0.08125701105886 0.74395985317682 18.998 > 49 52 F 0.84021816559155 0.08125701105886 0.74395985317682 18.998 > 49 53 F 0.34021816559155 0.41874298894114 0.25604014682318 18.998 > 53 54 F 0.84021816559155 0.41874298894114 0.25604014682318 18.998 > 53 55 F 0.34021816559155 0.41874298894114 0.75604014682318 18.998 > 53 56 F 0.84021816559155 0.41874298894114 0.75604014682318 18.998 > 53 57 F 0.15978183440845 0.91874298894114 0.49395985317682 18.998 > 57 58 F 0.65978183440845 0.91874298894114 0.49395985317682 18.998 > 57 59 F 0.15978183440845 0.91874298894114 0.99395985317682 18.998 > 57 60 F 0.65978183440845 0.91874298894114 0.99395985317682 18.998 > 57 61 F 0.15978183440845 0.58125701105886 0.00604014682318 18.998 > 61 62 F 0.65978183440845 0.58125701105886 0.00604014682318 18.998 > 61 63 F 0.15978183440845 0.58125701105886 0.50604014682318 18.998 > 61 64 F 0.65978183440845 0.58125701105886 0.50604014682318 18.998 > 61 65 F 0.25481447700865 0.76401883705073 0.37500000000000 18.998 > 65 66 F 0.75481447700865 0.76401883705073 0.37500000000000 18.998 > 65 67 F 0.25481447700865 0.76401883705073 0.87500000000000 18.998 > 65 68 F 0.75481447700865 0.76401883705073 0.87500000000000 18.998 > 65 69 F 0.25481447700865 0.73598116294927 0.12500000000000 18.998 > 69 70 F 0.75481447700865 0.73598116294927 0.12500000000000 18.998 > 69 71 F 0.25481447700865 0.73598116294927 0.62500000000000 18.998 > 69 72 F 0.75481447700865 0.73598116294927 0.62500000000000 18.998 > 69 73 F 0.24518552299135 0.23598116294927 0.12500000000000 18.998 > 73 74 F 0.74518552299135 0.23598116294927 0.12500000000000 18.998 > 73 75 F 0.24518552299135 0.23598116294927 0.62500000000000 18.998 > 73 76 F 0.74518552299135 0.23598116294927 0.62500000000000 18.998 > 73 77 F 0.24518552299135 0.26401883705073 0.37500000000000 18.998 > 77 78 F 0.74518552299135 0.26401883705073 0.37500000000000 18.998 > 77 79 F 0.24518552299135 0.26401883705073 0.87500000000000 18.998 > 77 80 F 0.74518552299135 0.26401883705073 0.87500000000000 18.998 > 77 81 Ti 0.09285228296117 0.82341764256312 0.37500000000000 47.867 > 81 82 Ti 0.59285228296117 0.82341764256312 0.37500000000000 47.867 > 81 83 Ti 0.09285228296117 0.82341764256312 0.87500000000000 47.867 > 81 84 Ti 0.59285228296117 0.82341764256312 0.87500000000000 47.867 > 81 85 Ti 0.09285228296117 0.67658235743688 0.12500000000000 47.867 > 85 86 Ti 0.59285228296117 0.67658235743688 0.12500000000000 47.867 > 85 87 Ti 0.09285228296117 0.67658235743688 0.62500000000000 47.867 > 85 88 Ti 0.59285228296117 0.67658235743688 0.62500000000000 47.867 > 85 89 Ti 0.40714771703883 0.17658235743688 0.12500000000000 47.867 > 89 90 Ti 0.90714771703883 0.17658235743688 0.12500000000000 47.867 > 89 91 Ti 0.40714771703883 0.17658235743688 0.62500000000000 47.867 > 89 92 Ti 0.90714771703883 0.17658235743688 0.62500000000000 47.867 > 89 93 Ti 0.40714771703883 0.32341764256312 0.37500000000000 47.867 > 93 94 Ti 0.90714771703883 0.32341764256312 0.37500000000000 47.867 > 93 95 Ti 0.40714771703883 0.32341764256312 0.87500000000000 47.867 > 93 96 Ti 0.90714771703883 0.32341764256312 0.87500000000000 47.867 > 93 97 Ba 0.12039050549803 0.09312996624284 0.37500000000000 137.327 > 97 98 Ba 0.62039050549803 0.09312996624284 0.37500000000000 137.327 > 97 99 Ba 0.12039050549803 0.09312996624284 0.87500000000000 137.327 > 97 100 Ba 0.62039050549803 0.09312996624284 0.87500000000000 137.327 > 97 101 Ba 0.12039050549803 0.40687003375716 0.12500000000000 137.327 > 101 102 Ba 0.62039050549803 0.40687003375716 0.12500000000000 137.327 > 101 103 Ba 0.12039050549803 0.40687003375716 0.62500000000000 137.327 > 101 104 Ba 0.62039050549803 0.40687003375716 0.62500000000000 137.327 > 101 105 Ba 0.37960949450197 0.90687003375716 0.12500000000000 137.327 > 105 106 Ba 0.87960949450197 0.90687003375716 0.12500000000000 137.327 > 105 107 Ba 0.37960949450197 0.90687003375716 0.62500000000000 137.327 > 105 108 Ba 0.87960949450197 0.90687003375716 0.62500000000000 137.327 > 105 109 Ba 0.37960949450197 0.59312996624284 0.37500000000000 137.327 > 109 110 Ba 0.87960949450197 0.59312996624284 0.37500000000000 137.327 > 109 111 Ba 0.37960949450197 0.59312996624284 0.87500000000000 137.327 > 109 112 Ba 0.87960949450197 0.59312996624284 0.87500000000000 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8800822 0.0000000 0.0000000 0.0000000 3.1537349 0.0000000 0.0000000 0.0000000 3.7205209 -------------------------- Born effective charges -------------------------- 1 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 -1.1687983 0.0000000 -2.0504578 -4.3635308 2 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 1.1687983 0.0000000 2.0504578 -4.3635308 3 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 -1.1687983 0.0000000 -2.0504578 -4.3635308 4 O -1.2464422 0.0000000 0.0000000 0.0000000 -1.9322661 1.1687983 0.0000000 2.0504578 -4.3635308 5 F -1.3430916 -0.4699254 0.0000000 -0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 6 F -1.3430916 0.4699254 0.0000000 0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 7 F -1.3430916 -0.4699254 0.0000000 -0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 8 F -1.3430916 0.4699254 0.0000000 0.5332324 -1.4051298 0.0000000 0.0000000 0.0000000 -1.2147644 9 F -1.1232702 -0.2135431 0.3520940 -0.2996589 -1.6008007 0.4089883 0.4424385 0.3904245 -1.4406730 10 F -1.1232702 0.2135431 -0.3520940 0.2996589 -1.6008007 0.4089883 -0.4424385 0.3904245 -1.4406730 11 F -1.1232702 -0.2135431 -0.3520940 -0.2996589 -1.6008007 -0.4089883 -0.4424385 -0.3904245 -1.4406730 12 F -1.1232702 0.2135431 0.3520940 0.2996589 -1.6008007 -0.4089883 0.4424385 -0.3904245 -1.4406730 13 F -1.1232702 -0.2135431 0.3520940 -0.2996589 -1.6008007 0.4089883 0.4424385 0.3904245 -1.4406730 14 F -1.1232702 0.2135431 -0.3520940 0.2996589 -1.6008007 0.4089883 -0.4424385 0.3904245 -1.4406730 15 F -1.1232702 -0.2135431 -0.3520940 -0.2996589 -1.6008007 -0.4089883 -0.4424385 -0.3904245 -1.4406730 16 F -1.1232702 0.2135431 0.3520940 0.2996589 -1.6008007 -0.4089883 0.4424385 -0.3904245 -1.4406730 17 F -1.7826065 0.6469163 0.0000000 0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 18 F -1.7826065 -0.6469163 0.0000000 -0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 19 F -1.7826065 0.6469163 0.0000000 0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 20 F -1.7826065 -0.6469163 0.0000000 -0.5463405 -0.9778040 0.0000000 0.0000000 0.0000000 -0.7225744 21 Ti 3.7980709 -0.0513698 0.0000000 0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 22 Ti 3.7980709 0.0513698 0.0000000 -0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 23 Ti 3.7980709 -0.0513698 0.0000000 0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 24 Ti 3.7980709 0.0513698 0.0000000 -0.3894106 4.5310954 0.0000000 0.0000000 0.0000000 6.5425718 25 Ba 2.8206097 0.0211373 0.0000000 0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 26 Ba 2.8206097 -0.0211373 0.0000000 -0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 27 Ba 2.8206097 0.0211373 0.0000000 0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 28 Ba 2.8206097 -0.0211373 0.0000000 -0.0140083 2.9857059 0.0000000 0.0000000 0.0000000 2.6396440 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxx) 0.00000006 (xxx) 0.00000006 (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 ... [ 10 4 9 ] 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: 0.57, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 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 1.287 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.130 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.715 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 11.094 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.652 ( 0.000 0.000 0.000) 0.000 11.999 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 12.654 ( 0.000 0.000 0.000) 0.000 13.937 ( 0.000 0.000 0.000) 0.000 15.000 ( 0.000 0.000 0.000) 0.000 15.079 ( 0.000 0.000 0.000) 0.000 15.306 ( 0.000 0.000 0.000) 0.000 15.431 ( 0.000 0.000 0.000) 0.000 15.464 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 15.548 ( 0.000 0.000 0.000) 0.000 16.455 ( 0.000 0.000 0.000) 0.000 17.086 ( 0.000 0.000 0.000) 0.000 17.093 ( 0.000 0.000 0.000) 0.000 17.421 ( 0.000 0.000 0.000) 0.000 17.477 ( 0.000 0.000 0.000) 0.000 17.815 ( 0.000 0.000 0.000) 0.000 24.238 ( 0.000 0.000 0.000) 0.000 25.362 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 21.403 0.000 0.000) 21.403 0.479 ( 24.418 0.000 0.000) 24.418 0.660 ( 34.157 0.000 0.000) 34.157 1.427 ( 11.705 0.000 0.000) 11.705 1.556 ( 1.919 0.000 0.000) 1.919 1.744 ( 3.601 0.000 0.000) 3.601 1.855 ( -9.274 0.000 0.000) 9.274 1.871 ( 1.313 0.000 0.000) 1.313 2.087 ( -0.060 0.000 0.000) 0.060 2.160 ( 1.161 0.000 0.000) 1.161 2.331 ( 1.747 0.000 0.000) 1.747 2.424 ( -0.468 0.000 0.000) 0.468 2.584 ( 2.674 0.000 0.000) 2.674 2.796 ( 0.434 0.000 0.000) 0.434 2.844 ( -2.216 0.000 0.000) 2.216 3.057 ( -1.086 0.000 0.000) 1.086 3.118 ( -6.848 0.000 0.000) 6.848 3.152 ( 0.852 0.000 0.000) 0.852 3.161 ( 1.859 0.000 0.000) 1.859 3.300 ( 6.465 0.000 0.000) 6.465 3.495 ( 8.047 0.000 0.000) 8.047 3.811 ( -1.968 0.000 0.000) 1.968 3.880 ( -3.844 0.000 0.000) 3.844 3.897 ( -8.657 0.000 0.000) 8.657 4.192 ( 5.492 0.000 0.000) 5.492 4.404 ( -2.107 0.000 0.000) 2.107 4.421 ( 2.064 0.000 0.000) 2.064 4.595 ( 0.869 0.000 0.000) 0.869 5.047 ( -1.153 0.000 0.000) 1.153 5.135 ( -4.763 0.000 0.000) 4.763 5.245 ( -1.615 0.000 0.000) 1.615 5.326 ( -0.820 0.000 0.000) 0.820 5.351 ( -1.589 0.000 0.000) 1.589 5.388 ( 4.196 0.000 0.000) 4.196 5.395 ( -1.474 0.000 0.000) 1.474 5.671 ( 8.146 0.000 0.000) 8.146 5.819 ( -2.869 0.000 0.000) 2.869 5.969 ( -4.040 0.000 0.000) 4.040 6.403 ( -0.858 0.000 0.000) 0.858 6.700 ( 1.561 0.000 0.000) 1.561 7.075 ( -4.912 0.000 0.000) 4.912 7.254 ( 0.312 0.000 0.000) 0.312 7.289 ( -2.527 0.000 0.000) 2.527 7.426 ( 0.218 0.000 0.000) 0.218 7.542 ( -1.246 0.000 0.000) 1.246 8.083 ( 1.723 0.000 0.000) 1.723 8.122 ( -0.741 0.000 0.000) 0.741 8.224 ( 0.411 0.000 0.000) 0.411 8.391 ( 4.785 0.000 0.000) 4.785 8.598 ( -3.249 0.000 0.000) 3.249 8.689 ( -0.827 0.000 0.000) 0.827 8.762 ( -1.027 0.000 0.000) 1.027 9.238 ( 1.883 0.000 0.000) 1.883 9.300 ( 2.254 0.000 0.000) 2.254 9.469 ( -0.653 0.000 0.000) 0.653 9.736 ( 1.996 0.000 0.000) 1.996 9.950 ( -0.542 0.000 0.000) 0.542 10.468 ( -4.461 0.000 0.000) 4.461 11.087 ( -0.662 0.000 0.000) 0.662 11.258 ( -1.535 0.000 0.000) 1.535 11.322 ( -0.828 0.000 0.000) 0.828 11.341 ( 1.856 0.000 0.000) 1.856 11.657 ( 0.535 0.000 0.000) 0.535 11.996 ( -0.274 0.000 0.000) 0.274 12.012 ( 0.377 0.000 0.000) 0.377 12.187 ( -1.348 0.000 0.000) 1.348 12.717 ( 3.041 0.000 0.000) 3.041 12.760 ( 9.794 0.000 0.000) 9.794 13.914 ( -2.336 0.000 0.000) 2.336 15.066 ( 5.817 0.000 0.000) 5.817 15.303 ( -0.320 0.000 0.000) 0.320 15.429 ( -0.248 0.000 0.000) 0.248 15.468 ( 0.134 0.000 0.000) 0.134 15.545 ( 0.100 0.000 0.000) 0.100 15.549 ( 0.122 0.000 0.000) 0.122 15.702 ( 0.734 0.000 0.000) 0.734 16.475 ( 2.072 0.000 0.000) 2.072 16.699 ( -23.070 0.000 0.000) 23.070 17.019 ( -6.739 0.000 0.000) 6.739 17.676 ( -13.637 0.000 0.000) 13.637 17.940 ( 33.653 0.000 0.000) 33.653 20.116 ( -0.633 0.000 0.000) 0.633 24.227 ( -1.076 0.000 0.000) 1.076 25.219 ( -13.634 0.000 0.000) 13.634 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 18.341 0.000 0.000) 18.341 0.943 ( 22.832 0.000 0.000) 22.832 1.314 ( 32.410 0.000 0.000) 32.410 1.593 ( 1.388 0.000 0.000) 1.388 1.620 ( 6.072 0.000 0.000) 6.072 1.665 ( -9.203 0.000 0.000) 9.203 1.833 ( 4.909 0.000 0.000) 4.909 1.915 ( 3.199 0.000 0.000) 3.199 2.092 ( 0.985 0.000 0.000) 0.985 2.196 ( 2.803 0.000 0.000) 2.803 2.347 ( -0.116 0.000 0.000) 0.116 2.408 ( -1.629 0.000 0.000) 1.629 2.661 ( 5.108 0.000 0.000) 5.108 2.780 ( -2.408 0.000 0.000) 2.408 2.784 ( -3.892 0.000 0.000) 3.892 3.027 ( -1.922 0.000 0.000) 1.922 3.086 ( 4.945 0.000 0.000) 4.945 3.191 ( 2.922 0.000 0.000) 2.922 3.203 ( 2.014 0.000 0.000) 2.014 3.445 ( 7.387 0.000 0.000) 7.387 3.624 ( 4.863 0.000 0.000) 4.863 3.743 ( -6.428 0.000 0.000) 6.428 3.761 ( -2.882 0.000 0.000) 2.882 3.798 ( -3.762 0.000 0.000) 3.762 4.274 ( 3.025 0.000 0.000) 3.025 4.345 ( -3.850 0.000 0.000) 3.850 4.460 ( 1.720 0.000 0.000) 1.720 4.619 ( 1.561 0.000 0.000) 1.561 5.014 ( -2.165 0.000 0.000) 2.165 5.024 ( -6.342 0.000 0.000) 6.342 5.219 ( -0.996 0.000 0.000) 0.996 5.283 ( -3.409 0.000 0.000) 3.409 5.308 ( -2.724 0.000 0.000) 2.724 5.355 ( -2.450 0.000 0.000) 2.450 5.510 ( 7.756 0.000 0.000) 7.756 5.743 ( -4.617 0.000 0.000) 4.617 5.856 ( 10.190 0.000 0.000) 10.190 5.863 ( -6.491 0.000 0.000) 6.491 6.404 ( 1.138 0.000 0.000) 1.138 6.719 ( 0.184 0.000 0.000) 0.184 6.950 ( -7.272 0.000 0.000) 7.272 7.228 ( -3.593 0.000 0.000) 3.593 7.262 ( 0.481 0.000 0.000) 0.481 7.432 ( 0.397 0.000 0.000) 0.397 7.512 ( -1.730 0.000 0.000) 1.730 8.104 ( -1.050 0.000 0.000) 1.050 8.145 ( 4.596 0.000 0.000) 4.596 8.235 ( 0.719 0.000 0.000) 0.719 8.503 ( 6.141 0.000 0.000) 6.141 8.519 ( -4.577 0.000 0.000) 4.577 8.664 ( -1.654 0.000 0.000) 1.654 8.734 ( -1.702 0.000 0.000) 1.702 9.286 ( 2.816 0.000 0.000) 2.816 9.357 ( 3.370 0.000 0.000) 3.370 9.453 ( -0.877 0.000 0.000) 0.877 9.786 ( 2.921 0.000 0.000) 2.921 9.932 ( -1.306 0.000 0.000) 1.306 10.370 ( -5.056 0.000 0.000) 5.056 11.071 ( -0.984 0.000 0.000) 0.984 11.245 ( 0.392 0.000 0.000) 0.392 11.301 ( -1.309 0.000 0.000) 1.309 11.374 ( 1.756 0.000 0.000) 1.756 11.671 ( 0.788 0.000 0.000) 0.788 11.993 ( 0.137 0.000 0.000) 0.137 12.021 ( 0.574 0.000 0.000) 0.574 12.169 ( -0.687 0.000 0.000) 0.687 12.820 ( 7.415 0.000 0.000) 7.415 12.999 ( 14.355 0.000 0.000) 14.355 13.848 ( -4.368 0.000 0.000) 4.368 15.178 ( 4.762 0.000 0.000) 4.762 15.294 ( -0.571 0.000 0.000) 0.571 15.423 ( -0.338 0.000 0.000) 0.338 15.441 ( -4.128 0.000 0.000) 4.128 15.548 ( 0.163 0.000 0.000) 0.163 15.552 ( 0.196 0.000 0.000) 0.196 15.713 ( -0.039 0.000 0.000) 0.039 16.328 ( -14.665 0.000 0.000) 14.665 16.533 ( 3.761 0.000 0.000) 3.761 16.840 ( -11.083 0.000 0.000) 11.083 17.332 ( -19.837 0.000 0.000) 19.837 18.577 ( 30.688 0.000 0.000) 30.688 20.094 ( -1.735 0.000 0.000) 1.735 24.200 ( -1.638 0.000 0.000) 1.638 24.894 ( -18.028 0.000 0.000) 18.028 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 13.655 0.000 0.000) 13.655 1.317 ( 10.918 0.000 0.000) 10.918 1.559 ( 3.068 0.000 0.000) 3.068 1.599 ( -0.749 0.000 0.000) 0.749 1.655 ( -1.437 0.000 0.000) 1.437 1.890 ( 25.840 0.000 0.000) 25.840 1.901 ( 1.535 0.000 0.000) 1.535 1.982 ( 3.047 0.000 0.000) 3.047 2.149 ( 5.342 0.000 0.000) 5.342 2.284 ( 6.527 0.000 0.000) 6.527 2.333 ( -1.198 0.000 0.000) 1.198 2.358 ( -2.962 0.000 0.000) 2.962 2.696 ( -5.043 0.000 0.000) 5.043 2.698 ( -6.149 0.000 0.000) 6.149 2.767 ( 5.045 0.000 0.000) 5.045 2.986 ( -2.114 0.000 0.000) 2.114 3.225 ( 0.071 0.000 0.000) 0.071 3.252 ( 3.029 0.000 0.000) 3.029 3.297 ( 14.778 0.000 0.000) 14.778 3.507 ( -2.102 0.000 0.000) 2.102 3.662 ( -0.531 0.000 0.000) 0.531 3.713 ( -1.814 0.000 0.000) 1.814 3.719 ( 5.019 0.000 0.000) 5.019 3.773 ( 1.142 0.000 0.000) 1.142 4.260 ( -4.596 0.000 0.000) 4.596 4.309 ( 0.416 0.000 0.000) 0.416 4.487 ( 1.110 0.000 0.000) 1.110 4.654 ( 1.928 0.000 0.000) 1.928 4.893 ( -7.092 0.000 0.000) 7.092 4.965 ( -2.788 0.000 0.000) 2.788 5.194 ( -2.302 0.000 0.000) 2.302 5.220 ( -1.926 0.000 0.000) 1.926 5.251 ( -2.957 0.000 0.000) 2.957 5.305 ( -2.531 0.000 0.000) 2.531 5.651 ( -4.505 0.000 0.000) 4.505 5.664 ( 7.439 0.000 0.000) 7.439 5.733 ( -6.453 0.000 0.000) 6.453 6.050 ( 9.415 0.000 0.000) 9.415 6.445 ( 2.878 0.000 0.000) 2.878 6.705 ( -1.543 0.000 0.000) 1.543 6.812 ( -6.616 0.000 0.000) 6.616 7.154 ( -3.934 0.000 0.000) 3.934 7.271 ( 0.448 0.000 0.000) 0.448 7.441 ( 0.456 0.000 0.000) 0.456 7.480 ( -1.443 0.000 0.000) 1.443 8.085 ( -0.915 0.000 0.000) 0.915 8.251 ( 0.802 0.000 0.000) 0.802 8.252 ( 5.874 0.000 0.000) 5.874 8.433 ( -3.949 0.000 0.000) 3.949 8.615 ( 5.078 0.000 0.000) 5.078 8.630 ( -1.752 0.000 0.000) 1.752 8.699 ( -1.768 0.000 0.000) 1.768 9.340 ( 2.567 0.000 0.000) 2.567 9.422 ( 3.100 0.000 0.000) 3.100 9.438 ( -0.640 0.000 0.000) 0.640 9.839 ( 2.322 0.000 0.000) 2.322 9.902 ( -1.729 0.000 0.000) 1.729 10.286 ( -3.441 0.000 0.000) 3.441 11.052 ( -0.891 0.000 0.000) 0.891 11.275 ( -1.278 0.000 0.000) 1.278 11.275 ( 2.561 0.000 0.000) 2.561 11.413 ( 2.248 0.000 0.000) 2.248 11.686 ( 0.706 0.000 0.000) 0.706 12.004 ( 0.998 0.000 0.000) 0.998 12.033 ( 0.536 0.000 0.000) 0.536 12.148 ( -1.747 0.000 0.000) 1.747 12.986 ( 8.873 0.000 0.000) 8.873 13.315 ( 18.023 0.000 0.000) 18.023 13.754 ( -4.799 0.000 0.000) 4.799 15.239 ( 1.669 0.000 0.000) 1.669 15.257 ( -15.756 0.000 0.000) 15.756 15.282 ( -0.631 0.000 0.000) 0.631 15.416 ( -0.265 0.000 0.000) 0.265 15.551 ( 0.164 0.000 0.000) 0.164 15.556 ( 0.195 0.000 0.000) 0.195 15.682 ( -3.401 0.000 0.000) 3.401 16.132 ( -5.669 0.000 0.000) 5.669 16.614 ( 4.257 0.000 0.000) 4.257 16.615 ( -11.195 0.000 0.000) 11.195 16.986 ( -13.972 0.000 0.000) 13.972 19.108 ( 23.633 0.000 0.000) 23.633 20.043 ( -3.651 0.000 0.000) 3.651 24.169 ( -1.350 0.000 0.000) 1.350 24.569 ( -14.566 0.000 0.000) 14.566 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.793 0.000 0.000) 2.793 1.348 ( 8.464 0.000 0.000) 8.464 1.568 ( -2.325 0.000 0.000) 2.325 1.608 ( -2.440 0.000 0.000) 2.440 1.821 ( 16.379 0.000 0.000) 16.379 1.904 ( -0.591 0.000 0.000) 0.591 2.021 ( 1.102 0.000 0.000) 1.102 2.284 ( 7.653 0.000 0.000) 7.653 2.284 ( 12.680 0.000 0.000) 12.680 2.299 ( -2.650 0.000 0.000) 2.650 2.314 ( -0.129 0.000 0.000) 0.129 2.440 ( 8.508 0.000 0.000) 8.508 2.550 ( -8.147 0.000 0.000) 8.147 2.588 ( -6.025 0.000 0.000) 6.025 2.825 ( 0.244 0.000 0.000) 0.244 2.951 ( -1.385 0.000 0.000) 1.385 3.216 ( -0.384 0.000 0.000) 0.384 3.304 ( 2.212 0.000 0.000) 2.212 3.447 ( -2.775 0.000 0.000) 2.775 3.569 ( 10.476 0.000 0.000) 10.476 3.669 ( 2.611 0.000 0.000) 2.611 3.694 ( -0.310 0.000 0.000) 0.310 3.791 ( 0.056 0.000 0.000) 0.056 3.845 ( 6.132 0.000 0.000) 6.132 4.179 ( -3.377 0.000 0.000) 3.377 4.290 ( -2.063 0.000 0.000) 2.063 4.511 ( 1.548 0.000 0.000) 1.548 4.690 ( 1.686 0.000 0.000) 1.686 4.752 ( -7.041 0.000 0.000) 7.041 4.912 ( -2.401 0.000 0.000) 2.401 5.156 ( -0.815 0.000 0.000) 0.815 5.195 ( -1.205 0.000 0.000) 1.205 5.201 ( -1.971 0.000 0.000) 1.971 5.263 ( -1.609 0.000 0.000) 1.609 5.580 ( -2.626 0.000 0.000) 2.626 5.628 ( -4.027 0.000 0.000) 4.027 5.782 ( 4.345 0.000 0.000) 4.345 6.206 ( 6.087 0.000 0.000) 6.087 6.506 ( 3.101 0.000 0.000) 3.101 6.666 ( -2.292 0.000 0.000) 2.292 6.705 ( -4.031 0.000 0.000) 4.031 7.083 ( -3.020 0.000 0.000) 3.020 7.278 ( 0.260 0.000 0.000) 0.260 7.449 ( 0.311 0.000 0.000) 0.311 7.458 ( -0.773 0.000 0.000) 0.773 8.070 ( -0.514 0.000 0.000) 0.514 8.264 ( 0.551 0.000 0.000) 0.551 8.354 ( 4.133 0.000 0.000) 4.133 8.373 ( -2.099 0.000 0.000) 2.099 8.601 ( -1.090 0.000 0.000) 1.090 8.670 ( -1.139 0.000 0.000) 1.139 8.692 ( 2.745 0.000 0.000) 2.745 9.380 ( 1.478 0.000 0.000) 1.478 9.429 ( -0.275 0.000 0.000) 0.275 9.471 ( 1.806 0.000 0.000) 1.806 9.872 ( -1.200 0.000 0.000) 1.200 9.872 ( 1.040 0.000 0.000) 1.040 10.236 ( -1.690 0.000 0.000) 1.690 11.038 ( -0.509 0.000 0.000) 0.509 11.254 ( -0.776 0.000 0.000) 0.776 11.333 ( 2.925 0.000 0.000) 2.925 11.456 ( 1.905 0.000 0.000) 1.905 11.697 ( 0.401 0.000 0.000) 0.401 12.025 ( 0.982 0.000 0.000) 0.982 12.041 ( 0.314 0.000 0.000) 0.314 12.104 ( -2.377 0.000 0.000) 2.377 13.138 ( 6.101 0.000 0.000) 6.101 13.616 ( 2.743 0.000 0.000) 2.743 13.764 ( 16.172 0.000 0.000) 16.172 14.841 ( -25.306 0.000 0.000) 25.306 15.259 ( 0.721 0.000 0.000) 0.721 15.271 ( -0.416 0.000 0.000) 0.416 15.413 ( -0.132 0.000 0.000) 0.132 15.554 ( 0.101 0.000 0.000) 0.101 15.559 ( 0.120 0.000 0.000) 0.120 15.596 ( -4.664 0.000 0.000) 4.664 16.079 ( -0.733 0.000 0.000) 0.733 16.433 ( -6.935 0.000 0.000) 6.935 16.686 ( 2.883 0.000 0.000) 2.883 16.811 ( -4.685 0.000 0.000) 4.685 19.496 ( 16.405 0.000 0.000) 16.405 19.946 ( -6.465 0.000 0.000) 6.465 24.153 ( -0.188 0.000 0.000) 0.188 24.345 ( -8.252 0.000 0.000) 8.252 ======================= Grid point 5 (6/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.400 ( -0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.547 ( -0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.260 ( -0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.662 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 8.065 ( 0.000 0.000 0.000) 0.000 8.270 ( 0.000 0.000 0.000) 0.000 8.352 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.882 ( 0.000 0.000 0.000) 0.000 10.219 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.246 ( 0.000 0.000 0.000) 0.000 11.366 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 12.036 ( 0.000 0.000 0.000) 0.000 12.044 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 13.201 ( 0.000 0.000 0.000) 0.000 13.605 ( 0.000 0.000 0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.443 ( 0.000 0.000 0.000) 0.000 15.267 ( 0.000 0.000 0.000) 0.000 15.269 ( 0.000 0.000 0.000) 0.000 15.411 ( 0.000 0.000 0.000) 0.000 15.541 ( 0.000 0.000 0.000) 0.000 15.555 ( 0.000 0.000 0.000) 0.000 15.560 ( 0.000 0.000 0.000) 0.000 16.076 ( 0.000 0.000 0.000) 0.000 16.363 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 16.770 ( 0.000 0.000 0.000) 0.000 19.720 ( 0.000 0.000 0.000) 0.000 19.819 ( 0.000 0.000 0.000) 0.000 24.157 ( 0.000 0.000 0.000) 0.000 24.259 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 22.533 0.000) 22.533 0.479 ( 0.000 25.637 0.000) 25.637 0.939 ( 0.000 42.022 0.000) 42.022 1.172 ( 0.000 -4.202 0.000) 4.202 1.305 ( 0.000 -18.378 0.000) 18.378 1.803 ( 0.000 5.317 0.000) 5.317 1.949 ( 0.000 8.241 0.000) 8.241 2.014 ( 0.000 -5.846 0.000) 5.846 2.067 ( 0.000 7.869 0.000) 7.869 2.160 ( 0.000 -1.043 0.000) 1.043 2.251 ( 0.000 -6.392 0.000) 6.392 2.494 ( 0.000 6.716 0.000) 6.716 2.575 ( 0.000 2.318 0.000) 2.318 2.634 ( 0.000 -19.538 0.000) 19.538 2.781 ( 0.000 -7.255 0.000) 7.255 2.928 ( 0.000 -18.017 0.000) 18.017 3.075 ( 0.000 -2.557 0.000) 2.557 3.105 ( 0.000 3.602 0.000) 3.602 3.180 ( 0.000 1.967 0.000) 1.967 3.220 ( 0.000 -3.593 0.000) 3.593 3.293 ( 0.000 1.355 0.000) 1.355 3.405 ( 0.000 -3.001 0.000) 3.001 3.879 ( 0.000 5.547 0.000) 5.547 4.255 ( 0.000 -12.432 0.000) 12.432 4.384 ( 0.000 21.154 0.000) 21.154 4.419 ( 0.000 2.065 0.000) 2.065 4.494 ( 0.000 2.883 0.000) 2.883 4.732 ( 0.000 9.915 0.000) 9.915 5.014 ( 0.000 -4.673 0.000) 4.673 5.020 ( 0.000 -7.645 0.000) 7.645 5.302 ( 0.000 -0.919 0.000) 0.919 5.376 ( 0.000 0.766 0.000) 0.766 5.376 ( 0.000 0.883 0.000) 0.883 5.388 ( 0.000 -2.342 0.000) 2.342 5.405 ( 0.000 -0.434 0.000) 0.434 5.406 ( 0.000 1.879 0.000) 1.879 5.875 ( 0.000 2.729 0.000) 2.729 5.989 ( 0.000 -2.232 0.000) 2.232 6.454 ( 0.000 2.107 0.000) 2.107 6.621 ( 0.000 -5.446 0.000) 5.446 7.143 ( 0.000 1.815 0.000) 1.815 7.182 ( 0.000 0.566 0.000) 0.566 7.269 ( 0.000 1.946 0.000) 1.946 7.381 ( 0.000 -3.500 0.000) 3.500 7.623 ( 0.000 6.238 0.000) 6.238 7.951 ( 0.000 -11.162 0.000) 11.162 8.231 ( 0.000 0.739 0.000) 0.739 8.302 ( 0.000 -3.025 0.000) 3.025 8.402 ( 0.000 11.475 0.000) 11.475 8.556 ( 0.000 4.037 0.000) 4.037 8.679 ( 0.000 -1.928 0.000) 1.928 8.725 ( 0.000 -5.045 0.000) 5.045 9.227 ( 0.000 0.903 0.000) 0.903 9.269 ( 0.000 -0.873 0.000) 0.873 9.751 ( 0.000 3.691 0.000) 3.691 9.921 ( 0.000 -3.589 0.000) 3.589 10.450 ( 0.000 0.350 0.000) 0.350 10.471 ( 0.000 -0.575 0.000) 0.575 11.117 ( 0.000 2.440 0.000) 2.440 11.273 ( 0.000 -5.049 0.000) 5.049 11.294 ( 0.000 0.378 0.000) 0.378 11.306 ( 0.000 -0.113 0.000) 0.113 11.726 ( 0.000 6.803 0.000) 6.803 11.967 ( 0.000 -4.335 0.000) 4.335 12.018 ( 0.000 2.109 0.000) 2.109 12.157 ( 0.000 -4.493 0.000) 4.493 12.646 ( 0.000 6.062 0.000) 6.062 12.863 ( 0.000 -3.898 0.000) 3.898 15.008 ( 0.000 0.903 0.000) 0.903 15.064 ( 0.000 -1.512 0.000) 1.512 15.325 ( 0.000 1.967 0.000) 1.967 15.411 ( 0.000 1.469 0.000) 1.469 15.414 ( 0.000 -1.840 0.000) 1.840 15.459 ( 0.000 -0.585 0.000) 0.585 15.545 ( 0.000 0.052 0.000) 0.052 15.547 ( 0.000 -0.051 0.000) 0.051 17.088 ( 0.000 0.146 0.000) 0.146 17.092 ( 0.000 -0.080 0.000) 0.080 17.425 ( 0.000 0.567 0.000) 0.567 17.466 ( 0.000 -1.125 0.000) 1.125 17.756 ( 0.000 1.268 0.000) 1.268 17.806 ( 0.000 -0.923 0.000) 0.923 25.368 ( 0.000 0.701 0.000) 0.701 25.401 ( 0.000 -0.697 0.000) 0.697 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 13.101 16.301 0.000) 20.913 0.643 ( 14.269 19.011 0.000) 23.771 1.167 ( 17.980 20.172 0.000) 27.022 1.287 ( 11.276 4.681 0.000) 12.209 1.361 ( 5.468 -16.580 0.000) 17.458 1.798 ( -0.487 4.169 0.000) 4.198 1.953 ( 0.092 3.408 0.000) 3.409 1.975 ( -5.761 8.662 0.000) 10.403 2.035 ( 2.349 -1.123 0.000) 2.604 2.174 ( 1.446 -0.473 0.000) 1.522 2.294 ( 1.681 -4.346 0.000) 4.660 2.449 ( -2.214 4.893 0.000) 5.370 2.598 ( 2.331 1.965 0.000) 3.049 2.659 ( 1.755 -17.413 0.000) 17.501 2.779 ( -0.275 -6.070 0.000) 6.077 2.900 ( -2.449 -20.213 0.000) 20.361 3.084 ( -1.913 3.380 0.000) 3.884 3.134 ( 3.776 0.327 0.000) 3.791 3.186 ( 0.458 0.772 0.000) 0.897 3.279 ( 5.500 -2.987 0.000) 6.259 3.357 ( 4.829 -0.787 0.000) 4.892 3.555 ( 9.991 -12.666 0.000) 16.132 3.864 ( -1.477 5.987 0.000) 6.166 4.245 ( -1.049 -12.146 0.000) 12.191 4.256 ( -9.726 14.883 0.000) 17.779 4.398 ( -5.017 6.269 0.000) 8.029 4.480 ( 2.898 11.442 0.000) 11.803 4.729 ( -0.307 9.499 0.000) 9.504 5.003 ( -1.094 -4.602 0.000) 4.730 5.017 ( -2.034 -9.767 0.000) 9.976 5.276 ( -2.561 1.216 0.000) 2.835 5.327 ( -2.246 -0.479 0.000) 2.297 5.361 ( -1.548 0.917 0.000) 1.799 5.391 ( -1.473 -0.436 0.000) 1.536 5.413 ( 4.261 2.638 0.000) 5.011 5.565 ( 10.615 -6.142 0.000) 12.264 5.844 ( -3.035 2.554 0.000) 3.966 5.950 ( -3.861 -2.046 0.000) 4.370 6.440 ( -0.625 3.535 0.000) 3.590 6.647 ( 2.043 -5.650 0.000) 6.008 7.092 ( -4.870 1.690 0.000) 5.155 7.167 ( -1.799 -4.005 0.000) 4.391 7.272 ( 0.229 1.862 0.000) 1.876 7.381 ( -0.020 -3.543 0.000) 3.543 7.614 ( -0.840 6.460 0.000) 6.514 7.948 ( -0.336 -11.189 0.000) 11.194 8.219 ( 0.118 5.876 0.000) 5.877 8.367 ( 5.523 -3.308 0.000) 6.437 8.400 ( -0.218 11.263 0.000) 11.265 8.556 ( -0.471 0.396 0.000) 0.615 8.642 ( -3.208 -2.185 0.000) 3.881 8.716 ( -0.907 -4.919 0.000) 5.002 9.247 ( 1.938 0.963 0.000) 2.165 9.291 ( 2.201 -0.929 0.000) 2.389 9.716 ( -4.543 4.813 0.000) 6.619 9.849 ( -6.577 0.573 0.000) 6.601 10.133 ( -11.936 19.585 0.000) 22.935 10.442 ( -4.935 -2.825 0.000) 5.687 11.110 ( -0.656 2.447 0.000) 2.533 11.265 ( -0.712 -4.985 0.000) 5.035 11.270 ( -1.107 1.319 0.000) 1.722 11.329 ( 1.266 -1.199 0.000) 1.744 11.731 ( 0.423 6.741 0.000) 6.754 11.971 ( 0.372 -4.340 0.000) 4.355 12.018 ( -0.079 2.354 0.000) 2.355 12.151 ( -0.703 -3.630 0.000) 3.697 12.703 ( 5.810 3.453 0.000) 6.759 12.847 ( 2.300 0.127 0.000) 2.304 14.447 ( -24.915 35.921 0.000) 43.716 15.045 ( 2.144 -3.293 0.000) 3.929 15.322 ( -0.310 1.974 0.000) 1.998 15.411 ( -0.260 -1.850 0.000) 1.868 15.468 ( 1.165 0.597 0.000) 1.309 15.546 ( 0.104 0.056 0.000) 0.118 15.548 ( 0.119 -0.053 0.000) 0.131 15.619 ( 5.652 -6.635 0.000) 8.716 16.583 ( -13.124 7.248 0.000) 14.992 16.693 ( -22.703 -0.693 0.000) 22.714 17.115 ( -7.700 10.240 0.000) 12.812 17.555 ( -9.079 -10.301 0.000) 13.731 18.093 ( 31.826 14.212 0.000) 34.855 19.180 ( 48.949 -56.350 0.000) 74.641 24.829 ( -31.589 29.754 0.000) 43.396 25.205 ( -15.277 -1.782 0.000) 15.380 ======================= Grid point 13 (9/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 17.959 1.491 0.000) 18.021 0.950 ( 15.983 12.916 0.000) 20.550 1.336 ( 0.889 -16.091 0.000) 16.115 1.497 ( 7.638 -11.319 0.000) 13.655 1.687 ( 24.660 28.129 0.000) 37.408 1.789 ( -0.195 0.981 0.000) 1.000 1.907 ( -1.074 12.830 0.000) 12.875 1.946 ( -0.782 -2.504 0.000) 2.623 2.108 ( 4.963 3.954 0.000) 6.346 2.214 ( 2.698 0.543 0.000) 2.752 2.290 ( -1.835 -5.158 0.000) 5.475 2.410 ( -2.296 1.287 0.000) 2.632 2.662 ( 3.936 0.655 0.000) 3.990 2.694 ( 0.386 -8.500 0.000) 8.509 2.765 ( -1.236 -2.699 0.000) 2.968 2.901 ( 5.554 -21.476 0.000) 22.182 3.040 ( -2.378 2.670 0.000) 3.576 3.193 ( 0.066 -2.001 0.000) 2.002 3.221 ( 5.040 3.432 0.000) 6.097 3.408 ( 6.474 -3.088 0.000) 7.172 3.458 ( 6.135 -1.254 0.000) 6.262 3.682 ( 3.445 -7.283 0.000) 8.057 3.827 ( -2.146 7.040 0.000) 7.360 4.085 ( -7.128 15.398 0.000) 16.968 4.213 ( -2.221 -11.130 0.000) 11.349 4.317 ( -3.526 1.730 0.000) 3.927 4.523 ( 1.365 8.402 0.000) 8.512 4.722 ( -0.278 8.135 0.000) 8.140 4.939 ( -5.339 -8.543 0.000) 10.074 4.972 ( -2.045 -4.384 0.000) 4.838 5.232 ( -1.707 1.137 0.000) 2.051 5.275 ( -3.243 -0.821 0.000) 3.346 5.319 ( -2.633 1.027 0.000) 2.826 5.351 ( -2.455 -0.445 0.000) 2.495 5.540 ( 8.057 3.429 0.000) 8.757 5.764 ( -4.873 2.107 0.000) 5.309 5.774 ( 10.466 -7.405 0.000) 12.821 5.849 ( -6.198 -1.560 0.000) 6.392 6.450 ( 1.731 4.805 0.000) 5.107 6.678 ( 0.855 -4.626 0.000) 4.704 6.972 ( -6.859 2.108 0.000) 7.175 7.119 ( -2.909 -7.526 0.000) 8.069 7.277 ( 0.338 1.634 0.000) 1.669 7.380 ( -0.114 -3.635 0.000) 3.637 7.595 ( -0.976 6.986 0.000) 7.054 7.940 ( -0.410 -11.173 0.000) 11.181 8.253 ( 3.137 8.426 0.000) 8.991 8.395 ( -0.258 10.655 0.000) 10.658 8.489 ( 6.559 -2.321 0.000) 6.957 8.519 ( -3.361 0.268 0.000) 3.371 8.586 ( -1.960 -5.260 0.000) 5.613 8.692 ( -1.487 -4.568 0.000) 4.804 9.296 ( 2.897 1.108 0.000) 3.102 9.347 ( 3.290 -1.069 0.000) 3.459 9.596 ( -5.333 9.235 0.000) 10.664 9.780 ( -1.253 -1.682 0.000) 2.097 10.034 ( -1.997 10.668 0.000) 10.853 10.336 ( -5.240 -3.755 0.000) 6.447 11.093 ( -0.987 2.449 0.000) 2.641 11.247 ( -1.137 -4.813 0.000) 4.945 11.264 ( 0.609 1.966 0.000) 2.058 11.355 ( 1.558 -1.985 0.000) 2.523 11.741 ( 0.634 6.589 0.000) 6.619 11.980 ( 0.563 -4.354 0.000) 4.390 12.016 ( 0.070 2.463 0.000) 2.464 12.139 ( -0.544 -2.988 0.000) 3.037 12.848 ( 8.777 3.229 0.000) 9.352 12.994 ( 11.767 -1.875 0.000) 11.916 14.139 ( -10.807 27.812 0.000) 29.838 15.050 ( -2.643 -14.125 0.000) 14.370 15.314 ( -0.537 2.016 0.000) 2.086 15.404 ( -0.373 -1.895 0.000) 1.932 15.478 ( -0.685 4.121 0.000) 4.177 15.548 ( 0.168 0.065 0.000) 0.180 15.551 ( 0.192 -0.060 0.000) 0.201 15.674 ( 0.702 -4.149 0.000) 4.208 16.353 ( -12.152 2.643 0.000) 12.436 16.490 ( -0.570 -3.824 0.000) 3.867 16.929 ( -10.685 8.487 0.000) 13.645 17.266 ( -17.565 -6.857 0.000) 18.856 18.717 ( 29.612 15.113 0.000) 33.245 19.717 ( 13.641 -33.468 0.000) 36.142 24.428 ( -12.451 18.760 0.000) 22.516 24.857 ( -18.501 -4.326 0.000) 19.000 ======================= Grid point 14 (10/90) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 13.148 -7.662 0.000) 15.218 1.235 ( 12.818 10.330 0.000) 16.462 1.313 ( 1.068 -13.377 0.000) 13.420 1.614 ( 3.227 -0.876 0.000) 3.344 1.808 ( 2.559 -5.921 0.000) 6.450 1.853 ( -2.155 12.676 0.000) 12.858 1.927 ( -0.878 -4.971 0.000) 5.048 2.144 ( 15.738 13.746 0.000) 20.896 2.214 ( 5.504 4.629 0.000) 7.192 2.244 ( -1.388 -3.437 0.000) 3.706 2.292 ( 5.707 0.370 0.000) 5.719 2.360 ( -2.669 -0.645 0.000) 2.746 2.664 ( -0.789 -1.756 0.000) 1.925 2.694 ( -2.409 0.402 0.000) 2.442 2.765 ( 2.310 -1.205 0.000) 2.606 3.000 ( -1.491 2.598 0.000) 2.996 3.131 ( 15.165 -15.728 0.000) 21.848 3.187 ( -0.655 -4.143 0.000) 4.195 3.319 ( 4.919 5.348 0.000) 7.266 3.503 ( 3.946 2.600 0.000) 4.726 3.603 ( 7.507 -4.118 0.000) 8.563 3.720 ( 1.143 1.649 0.000) 2.006 3.789 ( -1.548 7.797 0.000) 7.949 3.976 ( -4.381 11.648 0.000) 12.445 4.161 ( -3.032 -9.347 0.000) 9.827 4.259 ( -2.549 -4.870 0.000) 5.497 4.534 ( -0.158 5.262 0.000) 5.265 4.720 ( 0.105 5.880 0.000) 5.881 4.825 ( -6.257 -6.881 0.000) 9.301 4.926 ( -2.596 -3.998 0.000) 4.767 5.198 ( -2.308 0.439 0.000) 2.349 5.217 ( -1.990 -0.388 0.000) 2.028 5.264 ( -2.822 1.222 0.000) 3.075 5.301 ( -2.552 -0.478 0.000) 2.596 5.667 ( -4.753 1.571 0.000) 5.006 5.698 ( 7.579 3.877 0.000) 8.513 5.725 ( -6.136 -0.937 0.000) 6.207 5.963 ( 8.685 -8.137 0.000) 11.902 6.501 ( 3.210 5.189 0.000) 6.102 6.677 ( -0.910 -2.815 0.000) 2.958 6.845 ( -5.947 3.167 0.000) 6.738 7.060 ( -2.956 -8.121 0.000) 8.642 7.284 ( 0.307 1.346 0.000) 1.380 7.376 ( -0.212 -3.661 0.000) 3.667 7.579 ( -0.569 7.477 0.000) 7.498 7.933 ( -0.287 -11.004 0.000) 11.008 8.325 ( 3.667 6.499 0.000) 7.462 8.391 ( -0.145 9.799 0.000) 9.800 8.452 ( -2.641 2.015 0.000) 3.322 8.551 ( -1.154 -4.522 0.000) 4.667 8.615 ( 5.375 -2.809 0.000) 6.065 8.662 ( -1.526 -4.087 0.000) 4.363 9.352 ( 2.643 1.272 0.000) 2.934 9.410 ( 3.022 -1.235 0.000) 3.264 9.526 ( -2.268 7.643 0.000) 7.972 9.766 ( -0.505 -5.091 0.000) 5.116 10.007 ( -0.953 8.054 0.000) 8.110 10.252 ( -3.359 -3.698 0.000) 4.996 11.074 ( -0.907 2.425 0.000) 2.589 11.224 ( -1.116 -4.591 0.000) 4.725 11.296 ( 2.626 2.222 0.000) 3.440 11.394 ( 2.426 -2.000 0.000) 3.145 11.754 ( 0.577 6.421 0.000) 6.447 11.991 ( 0.521 -4.377 0.000) 4.408 12.023 ( 0.577 1.959 0.000) 2.042 12.123 ( -1.294 -2.467 0.000) 2.786 13.036 ( 10.093 5.129 0.000) 11.321 13.269 ( 15.978 -4.922 0.000) 16.719 13.959 ( -8.058 21.095 0.000) 22.581 14.917 ( -11.444 -22.972 0.000) 25.665 15.302 ( -0.576 2.108 0.000) 2.186 15.397 ( -0.318 -1.987 0.000) 2.012 15.435 ( -3.474 8.114 0.000) 8.827 15.552 ( 0.168 0.076 0.000) 0.185 15.555 ( 0.191 -0.069 0.000) 0.203 15.651 ( -2.949 -3.349 0.000) 4.462 16.197 ( -4.882 6.222 0.000) 7.909 16.473 ( -2.949 -7.816 0.000) 8.354 16.754 ( -5.506 7.371 0.000) 9.200 16.958 ( -12.379 -3.059 0.000) 12.751 19.212 ( 21.164 11.213 0.000) 23.951 19.862 ( 2.972 -17.664 0.000) 17.913 24.263 ( -5.521 8.795 0.000) 10.384 24.535 ( -13.914 -3.770 0.000) 14.415 ======================= Grid point 15 (11/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -1.887 -4.755 0.000) 5.116 1.438 ( 8.015 9.198 0.000) 12.200 1.545 ( 13.649 -17.877 0.000) 22.492 1.624 ( -1.336 5.333 0.000) 5.498 1.805 ( -2.401 11.621 0.000) 11.866 1.853 ( 0.849 -5.645 0.000) 5.708 1.929 ( 1.180 -8.162 0.000) 8.247 2.184 ( -1.420 -8.896 0.000) 9.009 2.291 ( -3.840 -3.186 0.000) 4.990 2.301 ( -1.324 -2.362 0.000) 2.708 2.324 ( 6.049 3.351 0.000) 6.915 2.423 ( 6.661 -1.658 0.000) 6.864 2.619 ( -4.393 3.147 0.000) 5.404 2.763 ( 8.901 20.327 0.000) 22.190 2.780 ( -1.482 -4.276 0.000) 4.525 2.988 ( -0.013 3.862 0.000) 3.862 3.176 ( -0.187 -4.182 0.000) 4.186 3.351 ( 4.570 1.644 0.000) 4.856 3.454 ( 9.840 -3.241 0.000) 10.360 3.576 ( 3.722 4.195 0.000) 5.608 3.694 ( 1.256 0.700 0.000) 1.438 3.769 ( -0.525 7.598 0.000) 7.616 3.770 ( 4.212 0.378 0.000) 4.229 3.905 ( -2.835 5.611 0.000) 6.287 4.105 ( -2.403 -7.467 0.000) 7.844 4.215 ( -2.040 -7.907 0.000) 8.166 4.524 ( -0.464 2.012 0.000) 2.065 4.703 ( -5.759 -4.850 0.000) 7.529 4.726 ( 0.464 3.501 0.000) 3.532 4.878 ( -2.166 -3.456 0.000) 4.078 5.161 ( -0.992 0.509 0.000) 1.115 5.189 ( -1.218 -0.666 0.000) 1.388 5.217 ( -1.856 1.442 0.000) 2.351 5.259 ( -1.635 -0.532 0.000) 1.719 5.592 ( -2.792 1.124 0.000) 3.010 5.625 ( -3.792 -0.367 0.000) 3.810 5.818 ( 4.407 4.051 0.000) 5.986 6.101 ( 5.212 -9.227 0.000) 10.598 6.563 ( 2.835 4.272 0.000) 5.127 6.651 ( -1.460 -1.114 0.000) 1.837 6.750 ( -3.623 4.457 0.000) 5.743 7.009 ( -2.162 -7.145 0.000) 7.464 7.289 ( 0.178 1.117 0.000) 1.131 7.372 ( -0.174 -3.585 0.000) 3.589 7.573 ( -0.181 7.720 0.000) 7.722 7.929 ( -0.132 -10.769 0.000) 10.770 8.356 ( -0.510 1.482 0.000) 1.567 8.390 ( -0.029 9.023 0.000) 9.023 8.452 ( 2.384 4.710 0.000) 5.279 8.527 ( -1.263 -3.307 0.000) 3.540 8.636 ( -0.973 -3.653 0.000) 3.781 8.700 ( 3.141 -1.641 0.000) 3.544 9.393 ( 1.524 1.401 0.000) 2.070 9.458 ( 1.757 -1.368 0.000) 2.227 9.496 ( -0.877 6.539 0.000) 6.598 9.757 ( -0.430 -6.431 0.000) 6.445 9.994 ( -0.474 6.915 0.000) 6.931 10.204 ( -1.610 -3.447 0.000) 3.805 11.060 ( -0.524 2.387 0.000) 2.444 11.206 ( -0.679 -4.405 0.000) 4.457 11.355 ( 2.884 2.198 0.000) 3.626 11.442 ( 2.168 -1.547 0.000) 2.663 11.763 ( 0.330 6.298 0.000) 6.306 11.999 ( 0.303 -4.402 0.000) 4.413 12.035 ( 0.525 1.000 0.000) 1.130 12.090 ( -1.821 -1.406 0.000) 2.301 13.216 ( 7.682 8.014 0.000) 11.101 13.582 ( 13.407 -6.891 0.000) 15.075 13.851 ( -0.299 12.956 0.000) 12.960 14.612 ( -18.901 -20.518 0.000) 27.897 15.293 ( -0.372 2.214 0.000) 2.245 15.368 ( -2.724 8.204 0.000) 8.644 15.393 ( -0.172 -2.087 0.000) 2.094 15.555 ( 0.104 0.083 0.000) 0.133 15.558 ( 0.117 -0.077 0.000) 0.140 15.574 ( -4.217 -2.513 0.000) 4.909 16.137 ( -1.640 5.687 0.000) 5.919 16.376 ( -5.162 -5.443 0.000) 7.502 16.724 ( 0.735 3.192 0.000) 3.276 16.805 ( -3.964 -0.763 0.000) 4.037 19.547 ( 13.511 5.491 0.000) 14.585 19.863 ( -2.499 -8.225 0.000) 8.597 24.193 ( -1.937 3.853 0.000) 4.312 24.326 ( -7.475 -2.046 0.000) 7.751 ======================= Grid point 16 (12/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 -2.681 0.000) 2.681 1.534 ( 0.000 8.701 0.000) 8.701 1.592 ( 0.000 6.434 0.000) 6.434 1.717 ( 0.000 -24.878 0.000) 24.878 1.764 ( 0.000 13.415 0.000) 13.415 1.856 ( 0.000 -4.285 0.000) 4.285 1.945 ( 0.000 -8.615 0.000) 8.615 2.178 ( 0.000 -10.776 0.000) 10.776 2.208 ( 0.000 -1.566 0.000) 1.566 2.292 ( 0.000 -4.150 0.000) 4.150 2.418 ( -0.000 1.650 0.000) 1.650 2.475 ( 0.000 -1.290 0.000) 1.290 2.578 ( 0.000 3.033 0.000) 3.033 2.744 ( 0.000 -5.135 0.000) 5.135 2.865 ( 0.000 25.434 0.000) 25.434 2.988 ( 0.000 4.571 0.000) 4.571 3.177 ( 0.000 -3.993 0.000) 3.993 3.386 ( 0.000 5.811 0.000) 5.811 3.560 ( 0.000 10.171 0.000) 10.171 3.639 ( 0.000 -11.438 0.000) 11.438 3.691 ( 0.000 4.528 0.000) 4.528 3.765 ( 0.000 7.324 0.000) 7.324 3.814 ( 0.000 2.655 0.000) 2.655 3.880 ( 0.000 -1.496 0.000) 1.496 4.079 ( 0.000 -6.634 0.000) 6.634 4.190 ( 0.000 -7.818 0.000) 7.818 4.523 ( 0.000 -0.436 0.000) 0.436 4.635 ( 0.000 -2.963 0.000) 2.963 4.733 ( 0.000 2.379 0.000) 2.379 4.854 ( 0.000 -3.106 0.000) 3.106 5.156 ( 0.000 0.093 0.000) 0.093 5.173 ( 0.000 -0.469 0.000) 0.469 5.198 ( 0.000 1.545 0.000) 1.545 5.242 ( 0.000 -0.561 0.000) 0.561 5.564 ( 0.000 0.926 0.000) 0.926 5.587 ( 0.000 -0.105 0.000) 0.105 5.862 ( 0.000 4.112 0.000) 4.112 6.154 ( 0.000 -9.802 0.000) 9.802 6.595 ( 0.000 2.768 0.000) 2.768 6.634 ( 0.000 -0.151 0.000) 0.151 6.712 ( 0.000 5.584 0.000) 5.584 6.986 ( 0.000 -6.434 0.000) 6.434 7.290 ( 0.000 1.032 0.000) 1.032 7.371 ( 0.000 -3.533 0.000) 3.533 7.571 ( 0.000 7.777 0.000) 7.777 7.928 ( 0.000 -10.659 0.000) 10.659 8.347 ( 0.000 1.023 0.000) 1.023 8.389 ( 0.000 8.705 0.000) 8.705 8.496 ( 0.000 8.286 0.000) 8.286 8.501 ( 0.000 -6.710 0.000) 6.710 8.626 ( 0.000 -3.475 0.000) 3.475 8.732 ( 0.000 -1.313 0.000) 1.313 9.409 ( 0.000 1.450 0.000) 1.450 9.475 ( 0.000 -1.420 0.000) 1.420 9.488 ( 0.000 6.184 0.000) 6.184 9.752 ( 0.000 -6.680 0.000) 6.680 9.989 ( 0.000 6.509 0.000) 6.509 10.188 ( 0.000 -3.344 0.000) 3.344 11.055 ( 0.000 2.369 0.000) 2.369 11.199 ( 0.000 -4.332 0.000) 4.332 11.387 ( 0.000 2.107 0.000) 2.107 11.465 ( 0.000 -1.257 0.000) 1.257 11.766 ( 0.000 6.253 0.000) 6.253 12.002 ( 0.000 -4.413 0.000) 4.413 12.040 ( 0.000 0.469 0.000) 0.469 12.068 ( 0.000 -0.774 0.000) 0.774 13.300 ( 0.000 10.396 0.000) 10.396 13.666 ( 0.000 3.768 0.000) 3.768 13.990 ( 0.000 -7.773 0.000) 7.773 14.320 ( 0.000 -12.305 0.000) 12.305 15.289 ( 0.000 2.260 0.000) 2.260 15.342 ( 0.000 6.601 0.000) 6.601 15.391 ( 0.000 -2.130 0.000) 2.130 15.525 ( 0.000 -2.029 0.000) 2.029 15.556 ( 0.000 0.086 0.000) 0.086 15.560 ( 0.000 -0.079 0.000) 0.079 16.123 ( 0.000 4.666 0.000) 4.666 16.321 ( 0.000 -4.231 0.000) 4.231 16.736 ( 0.000 1.723 0.000) 1.723 16.772 ( 0.000 -0.010 0.000) 0.010 19.723 ( 0.000 0.522 0.000) 0.522 19.793 ( 0.000 -2.485 0.000) 2.485 24.178 ( 0.000 2.100 0.000) 2.100 24.250 ( 0.000 -1.009 0.000) 1.009 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 -19.707 0.000) 19.707 0.810 ( 0.000 19.707 0.000) 19.707 0.925 ( 0.000 -22.918 0.000) 22.918 0.925 ( 0.000 22.918 0.000) 22.918 1.864 ( 0.000 -41.422 0.000) 41.422 1.864 ( 0.000 41.422 0.000) 41.422 1.904 ( 0.000 -5.925 0.000) 5.925 1.904 ( 0.000 5.925 0.000) 5.925 2.090 ( 0.000 -6.289 0.000) 6.289 2.090 ( 0.000 6.289 0.000) 6.289 2.239 ( 0.000 -12.155 0.000) 12.155 2.239 ( 0.000 12.155 0.000) 12.155 2.653 ( 0.000 -6.041 0.000) 6.041 2.653 ( 0.000 6.041 0.000) 6.041 2.658 ( 0.000 -10.990 0.000) 10.990 2.658 ( 0.000 10.990 0.000) 10.990 3.136 ( 0.000 -5.007 0.000) 5.007 3.136 ( 0.000 5.007 0.000) 5.007 3.171 ( 0.000 -2.777 0.000) 2.777 3.171 ( 0.000 2.777 0.000) 2.777 3.344 ( 0.000 -3.382 0.000) 3.382 3.344 ( 0.000 3.382 0.000) 3.382 4.034 ( 0.000 -10.989 0.000) 10.989 4.034 ( 0.000 10.989 0.000) 10.989 4.455 ( 0.000 -1.468 0.000) 1.468 4.455 ( 0.000 1.468 0.000) 1.468 4.796 ( 0.000 -17.037 0.000) 17.037 4.796 ( 0.000 17.037 0.000) 17.037 4.897 ( 0.000 -7.920 0.000) 7.920 4.897 ( 0.000 7.920 0.000) 7.920 5.317 ( 0.000 -2.625 0.000) 2.625 5.317 ( 0.000 2.625 0.000) 2.625 5.393 ( 0.000 -0.854 0.000) 0.854 5.393 ( 0.000 0.854 0.000) 0.854 5.416 ( 0.000 -0.989 0.000) 0.989 5.416 ( 0.000 0.989 0.000) 0.989 5.935 ( 0.000 -3.466 0.000) 3.466 5.935 ( 0.000 3.466 0.000) 3.466 6.519 ( 0.000 -4.955 0.000) 4.955 6.519 ( 0.000 4.955 0.000) 4.955 7.176 ( 0.000 -1.312 0.000) 1.312 7.176 ( 0.000 1.312 0.000) 1.312 7.318 ( 0.000 -3.225 0.000) 3.225 7.318 ( 0.000 3.225 0.000) 3.225 7.764 ( 0.000 -9.122 0.000) 9.122 7.764 ( 0.000 9.122 0.000) 9.122 8.255 ( 0.000 -1.934 0.000) 1.934 8.255 ( 0.000 1.934 0.000) 1.934 8.594 ( 0.000 -9.121 0.000) 9.121 8.594 ( 0.000 9.121 0.000) 9.121 8.628 ( 0.000 -3.528 0.000) 3.528 8.628 ( 0.000 3.528 0.000) 3.528 9.248 ( 0.000 -1.253 0.000) 1.253 9.248 ( 0.000 1.253 0.000) 1.253 9.836 ( 0.000 -5.175 0.000) 5.175 9.836 ( 0.000 5.175 0.000) 5.175 10.460 ( 0.000 -0.643 0.000) 0.643 10.460 ( 0.000 0.643 0.000) 0.643 11.181 ( 0.000 -4.506 0.000) 4.506 11.181 ( 0.000 4.506 0.000) 4.506 11.302 ( 0.000 -0.346 0.000) 0.346 11.302 ( 0.000 0.346 0.000) 0.346 11.859 ( 0.000 -7.083 0.000) 7.083 11.859 ( 0.000 7.083 0.000) 7.083 12.075 ( 0.000 -4.060 0.000) 4.060 12.075 ( 0.000 4.060 0.000) 4.060 12.766 ( 0.000 -6.431 0.000) 6.431 12.766 ( 0.000 6.431 0.000) 6.431 15.033 ( 0.000 -1.711 0.000) 1.711 15.033 ( 0.000 1.711 0.000) 1.711 15.370 ( 0.000 -2.687 0.000) 2.687 15.370 ( 0.000 2.687 0.000) 2.687 15.440 ( 0.000 -1.450 0.000) 1.450 15.440 ( 0.000 1.450 0.000) 1.450 15.546 ( 0.000 -0.072 0.000) 0.072 15.546 ( 0.000 0.072 0.000) 0.072 17.090 ( 0.000 -0.120 0.000) 0.120 17.090 ( 0.000 0.120 0.000) 0.120 17.443 ( 0.000 -1.262 0.000) 1.262 17.443 ( 0.000 1.262 0.000) 1.262 17.783 ( 0.000 -1.521 0.000) 1.521 17.783 ( 0.000 1.521 0.000) 1.521 25.385 ( 0.000 -0.988 0.000) 0.988 25.385 ( 0.000 0.988 0.000) 0.988 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 7.591 -20.107 0.000) 21.493 0.904 ( 7.591 20.107 0.000) 21.493 1.016 ( 8.755 -20.508 0.000) 22.299 1.016 ( 8.755 20.508 0.000) 22.299 1.889 ( -1.305 -5.573 0.000) 5.723 1.889 ( -1.305 5.573 0.000) 5.723 1.927 ( 6.767 -28.918 0.000) 29.699 1.927 ( 6.767 28.918 0.000) 29.699 2.120 ( 2.761 -5.294 0.000) 5.971 2.120 ( 2.761 5.294 0.000) 5.971 2.254 ( 1.403 -8.628 0.000) 8.741 2.254 ( 1.403 8.628 0.000) 8.741 2.616 ( -3.310 -11.463 0.000) 11.931 2.616 ( -3.310 11.463 0.000) 11.931 2.666 ( 1.345 -5.431 0.000) 5.595 2.666 ( 1.345 5.431 0.000) 5.595 3.157 ( -1.392 -3.630 0.000) 3.888 3.157 ( -1.392 3.630 0.000) 3.888 3.197 ( 5.233 -5.144 0.000) 7.338 3.197 ( 5.233 5.144 0.000) 7.338 3.408 ( 5.927 -5.060 0.000) 7.793 3.408 ( 5.927 5.060 0.000) 7.793 4.025 ( -0.897 -11.139 0.000) 11.175 4.025 ( -0.897 11.139 0.000) 11.175 4.396 ( -5.351 -3.436 0.000) 6.359 4.396 ( -5.351 3.436 0.000) 6.359 4.785 ( -1.432 -15.981 0.000) 16.045 4.785 ( -1.432 15.981 0.000) 16.045 4.889 ( -0.853 -7.732 0.000) 7.779 4.889 ( -0.853 7.732 0.000) 7.779 5.302 ( -1.863 -1.808 0.000) 2.596 5.302 ( -1.863 1.808 0.000) 2.596 5.378 ( -1.492 -0.874 0.000) 1.729 5.378 ( -1.492 0.874 0.000) 1.729 5.477 ( 6.369 -4.079 0.000) 7.564 5.477 ( 6.369 4.079 0.000) 7.564 5.900 ( -3.441 -3.213 0.000) 4.708 5.900 ( -3.441 3.213 0.000) 4.708 6.530 ( 1.215 -6.195 0.000) 6.313 6.530 ( 1.215 6.195 0.000) 6.313 7.126 ( -4.619 -1.773 0.000) 4.948 7.126 ( -4.619 1.773 0.000) 4.948 7.318 ( 0.054 -3.135 0.000) 3.136 7.318 ( 0.054 3.135 0.000) 3.136 7.759 ( -0.511 -9.281 0.000) 9.295 7.759 ( -0.511 9.281 0.000) 9.295 8.298 ( 4.149 -3.756 0.000) 5.596 8.298 ( 4.149 3.756 0.000) 5.596 8.588 ( -0.597 -8.924 0.000) 8.944 8.588 ( -0.597 8.924 0.000) 8.944 8.596 ( -2.948 -2.816 0.000) 4.077 8.596 ( -2.948 2.816 0.000) 4.077 9.269 ( 2.072 -1.335 0.000) 2.465 9.269 ( 2.072 1.335 0.000) 2.465 9.797 ( -3.657 -4.268 0.000) 5.621 9.797 ( -3.657 4.268 0.000) 5.621 10.359 ( -7.944 -6.950 0.000) 10.555 10.359 ( -7.944 6.950 0.000) 10.555 11.174 ( -0.654 -4.500 0.000) 4.548 11.174 ( -0.654 4.500 0.000) 4.548 11.301 ( 0.009 -1.794 0.000) 1.794 11.301 ( 0.009 1.794 0.000) 1.794 11.863 ( 0.370 -7.077 0.000) 7.086 11.863 ( 0.370 7.077 0.000) 7.086 12.077 ( 0.029 -3.982 0.000) 3.982 12.077 ( 0.029 3.982 0.000) 3.982 12.791 ( 3.683 -4.977 0.000) 6.191 12.791 ( 3.683 4.977 0.000) 6.191 14.895 ( -10.918 -14.574 0.000) 18.210 14.895 ( -10.918 14.574 0.000) 18.210 15.367 ( -0.287 -2.700 0.000) 2.715 15.367 ( -0.287 2.700 0.000) 2.715 15.514 ( 4.860 -4.447 0.000) 6.587 15.514 ( 4.860 4.447 0.000) 6.587 15.547 ( 0.112 -0.077 0.000) 0.136 15.547 ( 0.112 0.077 0.000) 0.136 16.667 ( -20.904 -2.445 0.000) 21.046 16.667 ( -20.904 2.445 0.000) 21.046 17.341 ( -9.466 -12.859 0.000) 15.967 17.341 ( -9.466 12.859 0.000) 15.967 18.453 ( 41.753 -26.871 0.000) 49.652 18.453 ( 41.753 26.871 0.000) 49.652 25.130 ( -21.504 -7.664 0.000) 22.829 25.130 ( -21.504 7.664 0.000) 22.829 ======================= Grid point 26 (15/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 6.060 -15.089 0.000) 16.260 1.040 ( 6.060 15.089 0.000) 16.260 1.230 ( 12.277 -16.307 0.000) 20.412 1.230 ( 12.277 16.307 0.000) 20.412 1.859 ( -1.710 -5.393 0.000) 5.657 1.859 ( -1.710 5.393 0.000) 5.657 2.065 ( 3.768 -3.617 0.000) 5.223 2.065 ( 3.768 3.617 0.000) 5.223 2.188 ( 4.145 -3.428 0.000) 5.379 2.188 ( 4.145 3.428 0.000) 5.379 2.325 ( 6.202 -17.330 0.000) 18.406 2.325 ( 6.202 17.330 0.000) 18.406 2.577 ( 1.881 -5.507 0.000) 5.819 2.577 ( 1.881 5.507 0.000) 5.819 2.700 ( 1.836 -3.400 0.000) 3.864 2.700 ( 1.836 3.400 0.000) 3.864 3.122 ( -2.075 -5.160 0.000) 5.561 3.122 ( -2.075 5.160 0.000) 5.561 3.313 ( 6.392 -5.975 0.000) 8.750 3.313 ( 6.392 5.975 0.000) 8.750 3.541 ( 7.183 -7.296 0.000) 10.238 3.541 ( 7.183 7.296 0.000) 10.238 4.001 ( -1.573 -11.311 0.000) 11.419 4.001 ( -1.573 11.311 0.000) 11.419 4.274 ( -6.731 -6.206 0.000) 9.155 4.274 ( -6.731 6.206 0.000) 9.155 4.739 ( -3.038 -12.731 0.000) 13.089 4.739 ( -3.038 12.731 0.000) 13.089 4.865 ( -1.514 -7.109 0.000) 7.268 4.865 ( -1.514 7.109 0.000) 7.268 5.255 ( -2.587 -1.288 0.000) 2.890 5.255 ( -2.587 1.288 0.000) 2.890 5.338 ( -2.506 -0.942 0.000) 2.677 5.338 ( -2.506 0.942 0.000) 2.677 5.636 ( 9.160 -6.882 0.000) 11.457 5.636 ( 9.160 6.882 0.000) 11.457 5.810 ( -5.517 -2.556 0.000) 6.080 5.810 ( -5.517 2.556 0.000) 6.080 6.564 ( 2.081 -7.055 0.000) 7.356 6.564 ( 2.081 7.055 0.000) 7.356 7.022 ( -5.528 -3.486 0.000) 6.535 7.022 ( -5.528 3.486 0.000) 6.535 7.319 ( 0.040 -2.888 0.000) 2.888 7.319 ( 0.040 2.888 0.000) 2.888 7.747 ( -0.564 -9.617 0.000) 9.633 7.747 ( -0.564 9.617 0.000) 9.633 8.396 ( 5.135 -7.025 0.000) 8.701 8.396 ( 5.135 7.025 0.000) 8.701 8.533 ( -2.862 -1.290 0.000) 3.139 8.533 ( -2.862 1.290 0.000) 3.139 8.572 ( -0.939 -8.374 0.000) 8.427 8.572 ( -0.939 8.374 0.000) 8.427 9.322 ( 3.094 -1.537 0.000) 3.455 9.322 ( 3.094 1.537 0.000) 3.455 9.719 ( -3.790 -4.863 0.000) 6.165 9.719 ( -3.790 4.863 0.000) 6.165 10.226 ( -5.171 -8.568 0.000) 10.007 10.226 ( -5.171 8.568 0.000) 10.007 11.158 ( -1.015 -4.463 0.000) 4.577 11.158 ( -1.015 4.463 0.000) 4.577 11.309 ( 1.096 -2.765 0.000) 2.975 11.309 ( 1.096 2.765 0.000) 2.975 11.873 ( 0.555 -7.062 0.000) 7.083 11.873 ( 0.555 7.062 0.000) 7.083 12.075 ( -0.190 -3.673 0.000) 3.678 12.075 ( -0.190 3.673 0.000) 3.678 12.927 ( 9.903 -4.791 0.000) 11.001 12.927 ( 9.903 4.791 0.000) 11.001 14.671 ( -11.817 -26.747 0.000) 29.241 14.671 ( -11.817 26.747 0.000) 29.241 15.360 ( -0.456 -2.760 0.000) 2.798 15.360 ( -0.456 2.760 0.000) 2.798 15.550 ( 0.181 -0.089 0.000) 0.201 15.550 ( 0.181 0.089 0.000) 0.201 15.576 ( 1.277 -5.981 0.000) 6.116 15.576 ( 1.277 5.981 0.000) 6.116 16.416 ( -6.753 -3.992 0.000) 7.845 16.416 ( -6.753 3.992 0.000) 7.845 17.106 ( -13.406 -9.970 0.000) 16.707 17.106 ( -13.406 9.970 0.000) 16.707 19.119 ( 26.205 -28.636 0.000) 38.816 19.119 ( 26.205 28.636 0.000) 38.816 24.717 ( -18.693 -11.622 0.000) 22.011 24.717 ( -18.693 11.622 0.000) 22.011 ======================= Grid point 28 (16/90) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 5.891 -3.555 0.000) 6.881 1.153 ( 5.891 3.555 0.000) 6.881 1.462 ( 10.925 -13.030 0.000) 17.004 1.462 ( 10.925 13.030 0.000) 17.004 1.825 ( -1.761 -5.403 0.000) 5.683 1.825 ( -1.761 5.403 0.000) 5.683 2.062 ( -2.292 -9.726 0.000) 9.992 2.062 ( -2.292 9.726 0.000) 9.992 2.278 ( 5.089 -2.151 0.000) 5.525 2.278 ( 5.089 2.151 0.000) 5.525 2.342 ( -3.802 -2.546 0.000) 4.576 2.342 ( -3.802 2.546 0.000) 4.576 2.723 ( 0.053 -2.554 0.000) 2.555 2.723 ( 0.053 2.554 0.000) 2.555 2.808 ( 18.304 -17.212 0.000) 25.126 2.808 ( 18.304 17.212 0.000) 25.126 3.087 ( -1.188 -6.033 0.000) 6.148 3.087 ( -1.188 6.033 0.000) 6.148 3.435 ( 5.837 -6.887 0.000) 9.028 3.435 ( 5.837 6.887 0.000) 9.028 3.674 ( 6.183 -6.336 0.000) 8.852 3.674 ( 6.183 6.336 0.000) 8.852 3.967 ( -1.745 -10.943 0.000) 11.081 3.967 ( -1.745 10.943 0.000) 11.081 4.145 ( -6.348 -7.491 0.000) 9.819 4.145 ( -6.348 7.491 0.000) 9.819 4.672 ( -3.778 -8.976 0.000) 9.739 4.672 ( -3.778 8.976 0.000) 9.739 4.832 ( -1.745 -5.959 0.000) 6.209 4.832 ( -1.745 5.959 0.000) 6.209 5.208 ( -2.181 -0.548 0.000) 2.249 5.208 ( -2.181 0.548 0.000) 2.249 5.287 ( -2.636 -1.067 0.000) 2.844 5.287 ( -2.636 1.067 0.000) 2.844 5.700 ( -5.411 -1.730 0.000) 5.681 5.700 ( -5.411 1.730 0.000) 5.681 5.807 ( 7.944 -7.851 0.000) 11.169 5.807 ( 7.944 7.851 0.000) 11.169 6.603 ( 1.680 -5.259 0.000) 5.521 6.603 ( 1.680 5.259 0.000) 5.521 6.925 ( -4.203 -5.916 0.000) 7.257 6.925 ( -4.203 5.916 0.000) 7.257 7.320 ( -0.002 -2.557 0.000) 2.557 7.320 ( -0.002 2.557 0.000) 2.557 7.739 ( -0.307 -9.886 0.000) 9.891 7.739 ( -0.307 9.886 0.000) 9.891 8.436 ( -1.346 -4.939 0.000) 5.119 8.436 ( -1.346 4.939 0.000) 5.119 8.542 ( 4.000 -4.164 0.000) 5.774 8.542 ( 4.000 4.164 0.000) 5.774 8.553 ( -0.914 -7.624 0.000) 7.678 8.553 ( -0.914 7.624 0.000) 7.678 9.381 ( 2.831 -1.772 0.000) 3.340 9.381 ( 2.831 1.772 0.000) 3.340 9.661 ( -2.187 -6.630 0.000) 6.981 9.661 ( -2.187 6.630 0.000) 6.981 10.152 ( -2.663 -7.083 0.000) 7.567 10.152 ( -2.663 7.083 0.000) 7.567 11.138 ( -0.967 -4.378 0.000) 4.483 11.138 ( -0.967 4.378 0.000) 4.483 11.347 ( 2.645 -2.970 0.000) 3.977 11.347 ( 2.645 2.970 0.000) 3.977 11.883 ( 0.506 -7.048 0.000) 7.066 11.883 ( 0.506 7.048 0.000) 7.066 12.070 ( -0.359 -2.995 0.000) 3.016 12.070 ( -0.359 2.995 0.000) 3.016 13.153 ( 12.766 -7.078 0.000) 14.597 13.153 ( 12.766 7.078 0.000) 14.597 14.435 ( -12.436 -28.368 0.000) 30.974 14.435 ( -12.436 28.368 0.000) 30.974 15.351 ( -0.446 -2.890 0.000) 2.924 15.351 ( -0.446 2.890 0.000) 2.924 15.554 ( 0.180 -0.103 0.000) 0.207 15.554 ( 0.180 0.103 0.000) 0.207 15.564 ( -2.395 -6.056 0.000) 6.512 15.564 ( -2.395 6.056 0.000) 6.512 16.329 ( -3.604 -7.800 0.000) 8.592 16.329 ( -3.604 7.800 0.000) 8.592 16.876 ( -8.844 -5.800 0.000) 10.576 16.876 ( -8.844 5.800 0.000) 10.576 19.500 ( 13.903 -19.479 0.000) 23.931 19.500 ( 13.903 19.479 0.000) 23.931 24.427 ( -11.242 -7.990 0.000) 13.793 24.427 ( -11.242 7.990 0.000) 13.793 ======================= Grid point 30 (17/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 5.063 -10.024 0.000) 11.230 1.265 ( 5.063 10.024 0.000) 11.230 1.634 ( 6.367 -9.634 0.000) 11.548 1.634 ( 6.367 9.634 0.000) 11.548 1.793 ( -1.359 -5.194 0.000) 5.368 1.793 ( -1.359 5.194 0.000) 5.368 2.012 ( -2.420 -10.111 0.000) 10.396 2.012 ( -2.420 10.111 0.000) 10.396 2.257 ( -3.825 -0.903 0.000) 3.930 2.257 ( -3.825 0.903 0.000) 3.930 2.382 ( 5.282 -2.794 0.000) 5.975 2.382 ( 5.282 2.794 0.000) 5.975 2.693 ( -2.829 -4.730 0.000) 5.511 2.693 ( -2.829 4.730 0.000) 5.511 3.080 ( 0.246 -5.725 0.000) 5.730 3.080 ( 0.246 5.725 0.000) 5.730 3.145 ( 14.306 -19.206 0.000) 23.949 3.145 ( 14.306 19.206 0.000) 23.949 3.528 ( 3.369 -7.591 0.000) 8.305 3.528 ( 3.369 7.591 0.000) 8.305 3.772 ( 3.572 -3.533 0.000) 5.025 3.772 ( 3.572 3.533 0.000) 5.025 3.938 ( -1.171 -9.984 0.000) 10.052 3.938 ( -1.171 9.984 0.000) 10.052 4.037 ( -4.438 -9.657 0.000) 10.628 4.037 ( -4.438 9.657 0.000) 10.628 4.599 ( -3.372 -5.788 0.000) 6.698 4.599 ( -3.372 5.788 0.000) 6.698 4.802 ( -1.243 -4.457 0.000) 4.627 4.802 ( -1.243 4.457 0.000) 4.627 5.174 ( -1.199 -0.861 0.000) 1.476 5.174 ( -1.199 0.861 0.000) 1.476 5.243 ( -1.708 -1.204 0.000) 2.089 5.243 ( -1.708 1.204 0.000) 2.089 5.613 ( -3.259 -0.998 0.000) 3.408 5.613 ( -3.259 0.998 0.000) 3.408 5.932 ( 4.594 -8.297 0.000) 9.484 5.932 ( 4.594 8.297 0.000) 9.484 6.623 ( 0.409 -2.199 0.000) 2.237 6.623 ( 0.409 2.199 0.000) 2.237 6.864 ( -1.983 -7.752 0.000) 8.002 6.864 ( -1.983 7.752 0.000) 8.002 7.319 ( -0.015 -2.269 0.000) 2.269 7.319 ( -0.015 2.269 0.000) 2.269 7.735 ( -0.088 -10.001 0.000) 10.002 7.735 ( -0.088 10.001 0.000) 10.002 8.407 ( -1.139 -4.043 0.000) 4.200 8.407 ( -1.139 4.043 0.000) 4.200 8.539 ( -0.555 -6.949 0.000) 6.971 8.539 ( -0.555 6.949 0.000) 6.971 8.618 ( 3.026 -6.838 0.000) 7.478 8.618 ( 3.026 6.838 0.000) 7.478 9.426 ( 1.639 -1.960 0.000) 2.555 9.426 ( 1.639 1.960 0.000) 2.555 9.631 ( -0.983 -7.426 0.000) 7.491 9.631 ( -0.983 7.426 0.000) 7.491 10.115 ( -1.228 -6.056 0.000) 6.179 10.115 ( -1.228 6.056 0.000) 6.179 11.122 ( -0.576 -4.282 0.000) 4.320 11.122 ( -0.576 4.282 0.000) 4.320 11.402 ( 2.638 -2.663 0.000) 3.748 11.402 ( 2.638 2.663 0.000) 3.748 11.891 ( 0.290 -7.041 0.000) 7.047 11.891 ( 0.290 7.041 0.000) 7.047 12.060 ( -0.606 -1.658 0.000) 1.765 12.060 ( -0.606 1.658 0.000) 1.765 13.401 ( 11.867 -11.277 0.000) 16.371 13.401 ( 11.867 11.277 0.000) 16.371 14.198 ( -11.302 -22.841 0.000) 25.484 14.198 ( -11.302 22.841 0.000) 25.484 15.343 ( -0.271 -3.035 0.000) 3.047 15.343 ( -0.271 3.035 0.000) 3.047 15.499 ( -3.556 -5.773 0.000) 6.780 15.499 ( -3.556 5.773 0.000) 6.780 15.556 ( 0.111 -0.114 0.000) 0.159 15.556 ( 0.111 0.114 0.000) 0.159 16.258 ( -3.229 -7.023 0.000) 7.730 16.258 ( -3.229 7.023 0.000) 7.730 16.777 ( -2.007 -2.337 0.000) 3.080 16.777 ( -2.007 2.337 0.000) 3.080 19.689 ( 6.018 -9.591 0.000) 11.323 19.689 ( 6.018 9.591 0.000) 11.323 24.270 ( -5.172 -4.023 0.000) 6.552 24.270 ( -5.172 4.023 0.000) 6.552 ======================= Grid point 32 (18/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.000 -15.805 0.000) 15.805 1.320 ( 0.000 15.805 0.000) 15.805 1.699 ( 0.000 -1.639 0.000) 1.639 1.699 ( 0.000 1.639 0.000) 1.639 1.777 ( 0.000 -2.808 0.000) 2.808 1.777 ( 0.000 2.808 0.000) 2.808 1.984 ( 0.000 -10.661 0.000) 10.661 1.984 ( 0.000 10.661 0.000) 10.661 2.217 ( 0.000 -3.027 0.000) 3.027 2.217 ( 0.000 3.027 0.000) 3.027 2.449 ( 0.000 -1.574 0.000) 1.574 2.449 ( 0.000 1.574 0.000) 1.574 2.650 ( 0.000 -4.758 0.000) 4.758 2.650 ( 0.000 4.758 0.000) 4.758 3.084 ( 0.000 -5.633 0.000) 5.633 3.084 ( 0.000 5.633 0.000) 5.633 3.299 ( 0.000 -20.485 0.000) 20.485 3.299 ( 0.000 20.485 0.000) 20.485 3.558 ( 0.000 -6.803 0.000) 6.803 3.558 ( 0.000 6.803 0.000) 6.803 3.806 ( 0.000 -4.170 0.000) 4.170 3.806 ( 0.000 4.170 0.000) 4.170 3.926 ( 0.000 -9.414 0.000) 9.414 3.926 ( 0.000 9.414 0.000) 9.414 3.990 ( 0.000 -12.335 0.000) 12.335 3.990 ( 0.000 12.335 0.000) 12.335 4.562 ( 0.000 -4.263 0.000) 4.263 4.562 ( 0.000 4.263 0.000) 4.263 4.789 ( 0.000 -3.597 0.000) 3.597 4.789 ( 0.000 3.597 0.000) 3.597 5.162 ( 0.000 -0.559 0.000) 0.559 5.162 ( 0.000 0.559 0.000) 0.559 5.226 ( 0.000 -1.264 0.000) 1.264 5.226 ( 0.000 1.264 0.000) 1.264 5.580 ( 0.000 -0.661 0.000) 0.661 5.580 ( 0.000 0.661 0.000) 0.661 5.978 ( 0.000 -8.493 0.000) 8.493 5.978 ( 0.000 8.493 0.000) 8.493 6.625 ( 0.000 -0.875 0.000) 0.875 6.625 ( 0.000 0.875 0.000) 0.875 6.846 ( 0.000 -8.190 0.000) 8.190 6.846 ( 0.000 8.190 0.000) 8.190 7.319 ( 0.000 -2.154 0.000) 2.154 7.319 ( 0.000 2.154 0.000) 2.154 7.734 ( 0.000 -10.024 0.000) 10.024 7.734 ( 0.000 10.024 0.000) 10.024 8.396 ( 0.000 -4.353 0.000) 4.353 8.396 ( 0.000 4.353 0.000) 4.353 8.533 ( 0.000 -6.671 0.000) 6.671 8.533 ( 0.000 6.671 0.000) 6.671 8.648 ( 0.000 -7.319 0.000) 7.319 8.648 ( 0.000 7.319 0.000) 7.319 9.442 ( 0.000 -2.031 0.000) 2.031 9.442 ( 0.000 2.031 0.000) 2.031 9.621 ( 0.000 -7.613 0.000) 7.613 9.621 ( 0.000 7.613 0.000) 7.613 10.103 ( 0.000 -5.735 0.000) 5.735 10.103 ( 0.000 5.735 0.000) 5.735 11.116 ( 0.000 -4.239 0.000) 4.239 11.116 ( 0.000 4.239 0.000) 4.239 11.431 ( 0.000 -2.390 0.000) 2.390 11.431 ( 0.000 2.390 0.000) 2.390 11.894 ( 0.000 -7.039 0.000) 7.039 11.894 ( 0.000 7.039 0.000) 7.039 12.053 ( 0.000 -0.847 0.000) 0.847 12.053 ( 0.000 0.847 0.000) 0.847 13.544 ( 0.000 -14.454 0.000) 14.454 13.544 ( 0.000 14.454 0.000) 14.454 14.061 ( 0.000 -13.552 0.000) 13.552 14.061 ( 0.000 13.552 0.000) 13.552 15.341 ( 0.000 -3.098 0.000) 3.098 15.341 ( 0.000 3.098 0.000) 3.098 15.458 ( 0.000 -5.318 0.000) 5.318 15.458 ( 0.000 5.318 0.000) 5.318 15.558 ( 0.000 -0.118 0.000) 0.118 15.558 ( 0.000 0.118 0.000) 0.118 16.224 ( 0.000 -5.898 0.000) 5.898 16.224 ( 0.000 5.898 0.000) 5.898 16.763 ( 0.000 -1.040 0.000) 1.040 16.763 ( 0.000 1.040 0.000) 1.040 19.746 ( 0.000 -2.156 0.000) 2.156 19.746 ( 0.000 2.156 0.000) 2.156 24.220 ( 0.000 -2.179 0.000) 2.179 24.220 ( 0.000 2.179 0.000) 2.179 ======================= Grid point 55 (19/90) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 0.000 0.000 24.854) 24.854 0.551 ( 0.000 0.000 26.967) 26.967 0.961 ( 0.000 0.000 42.258) 42.258 1.361 ( 0.000 0.000 8.272) 8.272 1.696 ( 0.000 0.000 -0.184) 0.184 1.776 ( 0.000 0.000 18.561) 18.561 1.925 ( 0.000 0.000 -1.350) 1.350 2.085 ( 0.000 0.000 20.634) 20.634 2.182 ( 0.000 0.000 6.264) 6.264 2.347 ( 0.000 0.000 3.881) 3.881 2.433 ( 0.000 0.000 0.773) 0.773 2.618 ( 0.000 0.000 11.099) 11.099 2.784 ( 0.000 0.000 -0.238) 0.238 2.919 ( 0.000 0.000 15.823) 15.823 2.943 ( 0.000 0.000 -3.709) 3.709 2.958 ( 0.000 0.000 7.727) 7.727 3.108 ( 0.000 0.000 1.666) 1.666 3.150 ( 0.000 0.000 2.149) 2.149 3.217 ( 0.000 0.000 -0.486) 0.486 3.233 ( 0.000 0.000 5.224) 5.224 3.239 ( 0.000 0.000 -1.096) 1.096 3.456 ( 0.000 0.000 9.031) 9.031 3.804 ( 0.000 0.000 -2.313) 2.313 3.960 ( 0.000 0.000 -7.502) 7.502 4.085 ( 0.000 0.000 2.161) 2.161 4.386 ( 0.000 0.000 -0.888) 0.888 4.530 ( 0.000 0.000 4.700) 4.700 4.536 ( 0.000 0.000 0.537) 0.537 4.697 ( 0.000 0.000 10.401) 10.401 5.209 ( 0.000 0.000 7.104) 7.104 5.221 ( 0.000 0.000 -4.481) 4.481 5.274 ( 0.000 0.000 0.946) 0.946 5.347 ( 0.000 0.000 -0.259) 0.259 5.372 ( 0.000 0.000 0.592) 0.592 5.504 ( 0.000 0.000 12.803) 12.803 5.588 ( 0.000 0.000 11.890) 11.890 5.852 ( 0.000 0.000 -0.050) 0.050 5.951 ( 0.000 0.000 -5.743) 5.743 6.364 ( 0.000 0.000 -5.239) 5.239 6.609 ( 0.000 0.000 -6.401) 6.401 7.004 ( 0.000 0.000 -10.366) 10.366 7.070 ( 0.000 0.000 -4.686) 4.686 7.573 ( 0.000 0.000 4.113) 4.113 7.638 ( 0.000 0.000 12.993) 12.993 7.638 ( 0.000 0.000 7.254) 7.254 7.985 ( 0.000 0.000 -4.442) 4.442 8.234 ( 0.000 0.000 6.047) 6.047 8.317 ( 0.000 0.000 -2.166) 2.166 8.448 ( 0.000 0.000 -0.889) 0.889 8.662 ( 0.000 0.000 -3.208) 3.208 8.884 ( 0.000 0.000 6.365) 6.365 9.219 ( 0.000 0.000 -0.212) 0.212 9.255 ( 0.000 0.000 -1.903) 1.903 9.528 ( 0.000 0.000 4.513) 4.513 9.665 ( 0.000 0.000 -4.684) 4.684 9.944 ( 0.000 0.000 -1.035) 1.035 10.126 ( 0.000 0.000 1.735) 1.735 10.434 ( 0.000 0.000 -1.282) 1.282 11.111 ( 0.000 0.000 0.141) 0.141 11.182 ( 0.000 0.000 -10.243) 10.243 11.231 ( 0.000 0.000 -6.325) 6.325 11.707 ( 0.000 0.000 4.917) 4.917 11.893 ( 0.000 0.000 -6.804) 6.804 12.050 ( 0.000 0.000 2.564) 2.564 12.137 ( 0.000 0.000 -5.913) 5.913 12.372 ( 0.000 0.000 9.639) 9.639 12.533 ( 0.000 0.000 -10.696) 10.696 12.537 ( 0.000 0.000 -2.896) 2.896 13.927 ( 0.000 0.000 -0.416) 0.416 14.600 ( 0.000 0.000 -24.443) 24.443 14.916 ( 0.000 0.000 -23.277) 23.277 15.035 ( 0.000 0.000 3.519) 3.519 15.510 ( 0.000 0.000 6.519) 6.519 15.697 ( 0.000 0.000 10.207) 10.207 15.754 ( 0.000 0.000 3.436) 3.436 16.523 ( 0.000 0.000 6.512) 6.512 16.898 ( 0.000 0.000 -18.944) 18.944 17.368 ( 0.000 0.000 -4.100) 4.100 17.439 ( 0.000 0.000 0.546) 0.546 17.970 ( 0.000 0.000 12.344) 12.344 18.138 ( 0.000 0.000 85.433) 85.433 22.757 ( 0.000 0.000 7.209) 7.209 24.155 ( 0.000 0.000 -7.935) 7.935 25.068 ( 0.000 0.000 -26.992) 26.992 ======================= Grid point 56 (20/90) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 14.556 0.000 15.478) 21.247 0.726 ( 15.598 0.000 19.959) 25.331 1.164 ( 16.902 0.000 35.942) 39.718 1.459 ( 8.026 0.000 4.156) 9.039 1.727 ( 2.324 0.000 -0.180) 2.331 1.794 ( 1.703 0.000 18.080) 18.160 1.845 ( -6.522 0.000 -0.253) 6.527 2.095 ( 1.068 0.000 19.139) 19.169 2.163 ( -1.005 0.000 5.575) 5.665 2.299 ( -6.901 0.000 4.744) 8.374 2.362 ( 0.517 0.000 2.618) 2.669 2.529 ( -2.740 0.000 11.094) 11.428 2.783 ( -0.530 0.000 -1.219) 1.329 2.831 ( -0.481 0.000 20.329) 20.334 2.928 ( -2.989 0.000 6.962) 7.576 3.103 ( -0.841 0.000 4.569) 4.646 3.142 ( -3.872 0.000 3.688) 5.347 3.144 ( 1.308 0.000 -0.778) 1.522 3.224 ( 6.183 0.000 -4.157) 7.450 3.306 ( 7.079 0.000 1.049) 7.156 3.407 ( 10.809 0.000 -6.907) 12.827 3.501 ( 3.786 0.000 0.444) 3.812 3.817 ( 1.875 0.000 -3.286) 3.784 3.869 ( -6.621 0.000 -2.719) 7.158 4.156 ( 4.696 0.000 -1.716) 4.999 4.376 ( -0.011 0.000 -0.627) 0.628 4.463 ( -2.518 0.000 2.249) 3.376 4.641 ( 4.560 0.000 -5.265) 6.965 4.701 ( 0.332 0.000 9.898) 9.903 5.165 ( -2.666 0.000 1.226) 2.935 5.226 ( -1.254 0.000 5.343) 5.488 5.255 ( -1.907 0.000 -4.751) 5.120 5.380 ( 3.463 0.000 0.834) 3.562 5.459 ( 7.610 0.000 0.566) 7.631 5.492 ( -0.974 0.000 11.729) 11.769 5.581 ( 0.079 0.000 10.902) 10.902 5.825 ( -2.695 0.000 -0.020) 2.695 5.917 ( -3.295 0.000 -5.089) 6.063 6.356 ( -0.400 0.000 -4.690) 4.707 6.632 ( 1.814 0.000 -6.267) 6.524 6.953 ( -4.412 0.000 -8.303) 9.402 7.066 ( -0.904 0.000 -6.340) 6.404 7.545 ( -2.489 0.000 6.370) 6.839 7.617 ( -1.985 0.000 6.473) 6.771 7.654 ( 1.440 0.000 12.751) 12.832 8.011 ( 2.552 0.000 -3.560) 4.381 8.204 ( -1.715 0.000 3.887) 4.248 8.387 ( 5.602 0.000 -0.077) 5.602 8.432 ( -1.593 0.000 0.006) 1.593 8.629 ( -3.338 0.000 -3.024) 4.504 8.878 ( -0.678 0.000 7.085) 7.118 9.233 ( 1.280 0.000 -0.833) 1.527 9.276 ( 2.057 0.000 -2.034) 2.893 9.508 ( -1.596 0.000 3.010) 3.407 9.695 ( 2.708 0.000 -3.430) 4.370 9.788 ( -26.104 0.000 27.742) 38.092 9.947 ( -1.352 0.000 0.449) 1.425 10.429 ( -2.245 0.000 -2.376) 3.269 11.099 ( -1.452 0.000 -0.224) 1.469 11.156 ( -1.118 0.000 -9.567) 9.632 11.255 ( 1.254 0.000 -7.468) 7.572 11.716 ( 0.940 0.000 5.403) 5.484 11.748 ( -14.375 0.000 8.354) 16.626 12.024 ( -2.527 0.000 2.090) 3.279 12.117 ( -1.278 0.000 -6.090) 6.222 12.147 ( -6.128 0.000 14.622) 15.854 12.641 ( 10.026 0.000 -10.409) 14.452 12.699 ( 8.073 0.000 -0.201) 8.075 13.903 ( -2.470 0.000 -0.591) 2.540 14.648 ( 4.210 0.000 -27.613) 27.932 14.884 ( -3.126 0.000 -24.146) 24.348 14.913 ( -8.985 0.000 -2.839) 9.422 15.501 ( -0.447 0.000 5.990) 6.007 15.725 ( -2.307 0.000 2.503) 3.404 15.756 ( 5.092 0.000 13.277) 14.220 16.535 ( 1.284 0.000 5.783) 5.924 16.794 ( -10.617 0.000 -11.643) 15.757 17.237 ( -9.110 0.000 27.137) 28.625 17.284 ( -11.484 0.000 25.407) 27.881 17.828 ( -14.065 0.000 12.146) 18.583 18.360 ( 19.208 0.000 56.487) 59.664 21.383 ( -77.209 0.000 73.571) 106.648 24.146 ( -0.944 0.000 -7.830) 7.887 24.954 ( -10.922 0.000 -24.449) 26.777 ======================= Grid point 57 (21/90) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 19.317 0.000 5.677) 20.134 1.076 ( 18.859 0.000 12.051) 22.381 1.494 ( 11.895 0.000 16.077) 19.999 1.583 ( 6.842 0.000 4.754) 8.331 1.648 ( -7.880 0.000 0.643) 7.906 1.836 ( 2.419 0.000 16.986) 17.157 1.850 ( 5.396 0.000 0.558) 5.425 2.141 ( 3.712 0.000 14.603) 15.068 2.156 ( 0.243 0.000 4.898) 4.904 2.286 ( 3.672 0.000 7.830) 8.648 2.348 ( -1.899 0.000 -0.038) 1.899 2.485 ( -1.879 0.000 10.968) 11.128 2.748 ( -3.204 0.000 -2.479) 4.051 2.851 ( -4.581 0.000 5.783) 7.377 2.854 ( 2.961 0.000 16.582) 16.844 3.094 ( -0.342 0.000 6.148) 6.158 3.130 ( 4.135 0.000 5.977) 7.268 3.182 ( 2.401 0.000 -0.806) 2.533 3.300 ( 2.367 0.000 3.963) 4.616 3.458 ( 7.684 0.000 1.384) 7.808 3.488 ( 0.101 0.000 -11.628) 11.629 3.564 ( 1.646 0.000 -4.603) 4.889 3.743 ( -5.696 0.000 0.186) 5.699 3.862 ( 1.979 0.000 0.003) 1.979 4.235 ( 3.225 0.000 -2.906) 4.341 4.372 ( -2.208 0.000 2.137) 3.073 4.439 ( 0.930 0.000 -2.558) 2.722 4.683 ( -0.073 0.000 -12.077) 12.077 4.711 ( 0.719 0.000 8.572) 8.602 5.116 ( -2.577 0.000 4.010) 4.767 5.178 ( -2.923 0.000 1.124) 3.131 5.196 ( -4.103 0.000 -7.375) 8.440 5.434 ( -0.228 0.000 8.723) 8.726 5.468 ( -0.978 0.000 8.834) 8.888 5.552 ( 3.690 0.000 7.650) 8.494 5.718 ( 12.607 0.000 -3.733) 13.148 5.755 ( -4.186 0.000 0.216) 4.192 5.833 ( -5.018 0.000 -3.051) 5.873 6.364 ( 1.375 0.000 -3.992) 4.222 6.660 ( 0.733 0.000 -5.616) 5.664 6.854 ( -5.408 0.000 -6.188) 8.218 7.033 ( -2.308 0.000 -7.836) 8.169 7.491 ( -2.807 0.000 8.694) 9.136 7.572 ( -2.352 0.000 5.309) 5.807 7.687 ( 1.800 0.000 15.100) 15.207 8.069 ( 2.558 0.000 -2.105) 3.313 8.192 ( 1.197 0.000 2.889) 3.127 8.391 ( -2.475 0.000 1.827) 3.076 8.507 ( 6.379 0.000 0.576) 6.405 8.541 ( -5.276 0.000 -1.983) 5.636 8.858 ( -1.331 0.000 8.760) 8.860 9.262 ( 1.427 0.000 -2.620) 2.983 9.323 ( -18.409 0.000 44.595) 48.245 9.327 ( 2.998 0.000 -2.501) 3.904 9.479 ( -1.113 0.000 1.759) 2.082 9.756 ( 3.223 0.000 -2.555) 4.113 9.925 ( -1.379 0.000 -0.627) 1.515 10.353 ( -4.801 0.000 -1.465) 5.019 11.058 ( -2.318 0.000 -3.132) 3.897 11.157 ( 1.041 0.000 -7.784) 7.853 11.268 ( 0.183 0.000 -8.775) 8.777 11.509 ( -8.697 0.000 14.240) 16.686 11.745 ( 1.956 0.000 6.694) 6.974 11.990 ( -0.693 0.000 -0.219) 0.727 12.101 ( -0.550 0.000 -6.182) 6.206 12.112 ( 0.066 0.000 8.914) 8.914 12.855 ( 8.436 0.000 3.372) 9.085 12.887 ( 14.755 0.000 -9.847) 17.739 13.835 ( -4.409 0.000 -0.836) 4.488 14.731 ( 3.604 0.000 -32.050) 32.252 14.787 ( -3.260 0.000 -15.575) 15.912 14.802 ( -5.229 0.000 -25.969) 26.490 15.497 ( -0.108 0.000 6.379) 6.380 15.674 ( -2.997 0.000 0.865) 3.119 15.854 ( 3.886 0.000 19.307) 19.694 16.525 ( -15.672 0.000 -0.680) 15.687 16.577 ( 3.146 0.000 4.372) 5.386 17.096 ( -5.226 0.000 52.259) 52.519 17.110 ( -6.314 0.000 39.189) 39.694 17.465 ( -21.534 0.000 10.920) 24.145 18.771 ( 21.426 0.000 26.165) 33.818 20.453 ( -26.271 0.000 36.997) 45.376 24.121 ( -1.448 0.000 -7.577) 7.714 24.692 ( -14.614 0.000 -18.832) 23.837 ======================= Grid point 58 (22/90) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 14.290 0.000 5.777) 15.414 1.370 ( 5.908 0.000 5.116) 7.815 1.509 ( -2.217 0.000 -6.431) 6.802 1.585 ( 6.989 0.000 3.594) 7.859 1.805 ( 7.011 0.000 11.302) 13.300 1.906 ( 7.334 0.000 11.910) 13.987 1.951 ( 3.839 0.000 2.905) 4.814 2.175 ( 1.684 0.000 2.413) 2.942 2.208 ( 2.627 0.000 13.960) 14.205 2.298 ( -2.531 0.000 -3.181) 4.065 2.332 ( -0.990 0.000 3.023) 3.181 2.507 ( 5.473 0.000 15.990) 16.901 2.660 ( -5.904 0.000 -2.553) 6.432 2.762 ( -4.186 0.000 6.035) 7.345 2.930 ( 3.438 0.000 14.757) 15.152 3.080 ( -1.041 0.000 8.252) 8.318 3.230 ( 2.307 0.000 -2.150) 3.154 3.273 ( 3.481 0.000 -3.456) 4.905 3.330 ( 6.289 0.000 7.457) 9.755 3.497 ( 2.534 0.000 -11.785) 12.054 3.541 ( -0.979 0.000 3.119) 3.269 3.585 ( 0.983 0.000 -1.474) 1.771 3.706 ( 3.618 0.000 -0.946) 3.740 3.892 ( 1.254 0.000 4.255) 4.436 4.274 ( 0.649 0.000 -3.008) 3.077 4.302 ( -4.140 0.000 3.542) 5.448 4.468 ( 1.341 0.000 -3.010) 3.295 4.654 ( -2.627 0.000 -12.767) 13.035 4.729 ( 1.169 0.000 6.910) 7.008 5.053 ( -3.874 0.000 7.899) 8.798 5.111 ( -3.964 0.000 -7.515) 8.496 5.133 ( -1.662 0.000 -6.618) 6.823 5.400 ( -2.212 0.000 13.150) 13.335 5.428 ( -2.637 0.000 10.998) 11.310 5.664 ( 6.320 0.000 1.434) 6.481 5.675 ( -3.802 0.000 1.089) 3.955 5.733 ( -4.965 0.000 -0.630) 5.005 5.958 ( 11.143 0.000 -5.164) 12.282 6.407 ( 2.866 0.000 -3.774) 4.739 6.656 ( -1.000 0.000 -4.676) 4.782 6.751 ( -5.048 0.000 -4.068) 6.483 6.985 ( -2.507 0.000 -9.145) 9.482 7.444 ( -1.909 0.000 10.018) 10.198 7.532 ( -1.724 0.000 4.650) 4.960 7.721 ( 1.568 0.000 18.638) 18.704 8.088 ( -0.157 0.000 -0.081) 0.177 8.261 ( 5.102 0.000 1.076) 5.214 8.343 ( -2.318 0.000 2.453) 3.375 8.440 ( -4.698 0.000 -1.028) 4.809 8.622 ( 5.195 0.000 0.816) 5.258 8.831 ( -1.280 0.000 10.719) 10.795 9.075 ( -8.107 0.000 38.340) 39.188 9.280 ( 0.449 0.000 -5.148) 5.168 9.384 ( 2.690 0.000 -3.262) 4.228 9.470 ( 0.130 0.000 1.695) 1.700 9.812 ( 2.374 0.000 -2.448) 3.410 9.893 ( -1.782 0.000 -0.627) 1.889 10.264 ( -4.015 0.000 -1.985) 4.479 11.019 ( -1.634 0.000 -4.540) 4.825 11.191 ( 2.295 0.000 -9.000) 9.288 11.268 ( 0.057 0.000 -9.889) 9.889 11.390 ( -4.146 0.000 9.872) 10.708 11.787 ( 2.286 0.000 8.281) 8.591 11.991 ( 0.530 0.000 -1.322) 1.424 12.085 ( -1.217 0.000 -5.715) 5.843 12.123 ( 0.891 0.000 8.589) 8.636 13.024 ( 8.541 0.000 3.679) 9.299 13.206 ( 17.875 0.000 -9.676) 20.326 13.741 ( -4.884 0.000 -0.826) 4.954 14.677 ( -7.870 0.000 -26.354) 27.504 14.752 ( 0.323 0.000 -25.834) 25.836 14.801 ( 2.203 0.000 -30.115) 30.195 15.493 ( -0.329 0.000 7.852) 7.859 15.616 ( -2.413 0.000 -0.793) 2.540 15.863 ( -3.873 0.000 25.126) 25.423 16.212 ( -16.084 0.000 -0.021) 16.084 16.654 ( 4.432 0.000 3.900) 5.903 17.022 ( -2.890 0.000 53.017) 53.096 17.024 ( -2.811 0.000 54.036) 54.109 17.072 ( -16.607 0.000 7.524) 18.232 19.161 ( 18.295 0.000 8.608) 20.219 20.114 ( -11.904 0.000 11.044) 16.238 24.094 ( -1.224 0.000 -7.335) 7.436 24.427 ( -11.939 0.000 -13.429) 17.969 ======================= Grid point 59 (23/90) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -1.544 0.000 4.057) 4.341 1.371 ( -2.804 0.000 -6.682) 7.246 1.606 ( 9.023 0.000 10.282) 13.680 1.843 ( -0.385 0.000 15.324) 15.329 1.848 ( 13.812 0.000 2.591) 14.053 1.981 ( 0.287 0.000 6.191) 6.198 2.089 ( 8.370 0.000 -6.588) 10.652 2.188 ( -0.962 0.000 -8.264) 8.320 2.247 ( 1.433 0.000 15.775) 15.840 2.293 ( -1.483 0.000 0.874) 1.721 2.301 ( 2.761 0.000 0.251) 2.773 2.517 ( -8.193 0.000 -1.643) 8.356 2.626 ( 5.174 0.000 11.329) 12.454 2.695 ( -2.788 0.000 8.470) 8.917 2.910 ( -5.698 0.000 4.729) 7.405 3.059 ( -0.938 0.000 9.559) 9.605 3.268 ( 1.489 0.000 -3.568) 3.866 3.313 ( 4.877 0.000 3.748) 6.151 3.466 ( 2.800 0.000 0.746) 2.898 3.489 ( -2.590 0.000 4.089) 4.840 3.588 ( 2.878 0.000 -4.942) 5.719 3.636 ( 6.613 0.000 -0.544) 6.635 3.812 ( 5.357 0.000 -2.787) 6.038 3.914 ( 1.111 0.000 5.704) 5.811 4.229 ( -3.023 0.000 4.237) 5.205 4.259 ( -1.938 0.000 -3.048) 3.612 4.489 ( 0.985 0.000 -3.638) 3.769 4.588 ( -3.854 0.000 -10.024) 10.740 4.756 ( 1.508 0.000 5.783) 5.976 4.975 ( -3.729 0.000 5.895) 6.976 5.061 ( -1.112 0.000 -7.879) 7.957 5.107 ( -1.123 0.000 -6.887) 6.978 5.361 ( -1.594 0.000 14.475) 14.562 5.382 ( -1.780 0.000 11.511) 11.647 5.615 ( -2.221 0.000 1.998) 2.988 5.653 ( -2.946 0.000 1.351) 3.241 5.768 ( 3.939 0.000 -0.500) 3.970 6.131 ( 6.313 0.000 -5.550) 8.405 6.466 ( 2.852 0.000 -4.021) 4.930 6.627 ( -1.823 0.000 -3.794) 4.209 6.668 ( -3.168 0.000 -2.362) 3.951 6.941 ( -1.844 0.000 -9.446) 9.625 7.417 ( -0.863 0.000 10.522) 10.557 7.506 ( -0.860 0.000 4.405) 4.488 7.745 ( 0.917 0.000 21.513) 21.532 8.081 ( -0.379 0.000 0.595) 0.705 8.306 ( -1.378 0.000 1.077) 1.749 8.356 ( 3.947 0.000 0.339) 3.961 8.369 ( -2.534 0.000 -0.590) 2.602 8.701 ( 2.767 0.000 0.885) 2.905 8.812 ( -0.630 0.000 12.354) 12.370 8.972 ( -3.087 0.000 32.836) 32.981 9.282 ( -0.086 0.000 -6.998) 6.998 9.426 ( 1.522 0.000 -4.275) 4.537 9.479 ( 0.529 0.000 2.051) 2.118 9.845 ( 1.053 0.000 -2.515) 2.726 9.862 ( -1.258 0.000 -0.561) 1.377 10.203 ( -2.189 0.000 -3.142) 3.829 10.996 ( -0.779 0.000 -5.103) 5.162 11.234 ( 1.722 0.000 -14.044) 14.149 11.275 ( 0.692 0.000 -8.228) 8.257 11.333 ( -1.843 0.000 7.273) 7.503 11.826 ( 1.537 0.000 9.482) 9.605 12.003 ( 0.529 0.000 -1.970) 2.040 12.055 ( -1.564 0.000 -4.465) 4.731 12.141 ( 0.884 0.000 9.255) 9.297 13.168 ( 5.667 0.000 2.856) 6.346 13.558 ( 15.144 0.000 -9.315) 17.780 13.670 ( 0.364 0.000 -3.608) 3.626 14.481 ( -12.273 0.000 -21.113) 24.421 14.769 ( 1.079 0.000 -26.033) 26.055 14.831 ( 0.864 0.000 -31.329) 31.341 15.492 ( 0.584 0.000 11.280) 11.295 15.604 ( 1.747 0.000 -2.275) 2.868 15.717 ( -9.182 0.000 23.747) 25.460 15.917 ( -13.675 0.000 -1.787) 13.791 16.734 ( 3.342 0.000 4.606) 5.691 16.863 ( -5.453 0.000 4.826) 7.282 16.981 ( -1.284 0.000 49.508) 49.525 16.987 ( -1.202 0.000 64.061) 64.073 19.478 ( 14.273 0.000 -0.195) 14.275 19.917 ( -9.430 0.000 0.680) 9.455 24.079 ( -0.274 0.000 -7.329) 7.334 24.243 ( -6.764 0.000 -9.804) 11.911 ======================= Grid point 60 (24/90) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 0.000 -9.291) 9.291 1.350 ( 0.000 0.000 5.191) 5.191 1.709 ( 0.000 0.000 17.400) 17.400 1.828 ( -0.000 0.000 14.764) 14.764 1.941 ( 0.000 0.000 3.913) 3.913 2.072 ( 0.000 0.000 0.951) 0.951 2.158 ( 0.000 0.000 -6.174) 6.174 2.176 ( 0.000 0.000 -12.143) 12.143 2.248 ( 0.000 0.000 16.612) 16.612 2.302 ( 0.000 0.000 -1.735) 1.735 2.326 ( 0.000 0.000 -4.277) 4.277 2.417 ( -0.000 0.000 1.233) 1.233 2.663 ( 0.000 0.000 10.395) 10.395 2.687 ( 0.000 0.000 9.207) 9.207 2.817 ( 0.000 0.000 -1.124) 1.124 3.050 ( 0.000 0.000 10.003) 10.003 3.283 ( 0.000 0.000 -4.328) 4.328 3.394 ( -0.000 0.000 15.733) 15.733 3.462 ( 0.000 0.000 4.288) 4.288 3.467 ( 0.000 0.000 -8.172) 8.172 3.618 ( 0.000 0.000 -1.934) 1.934 3.714 ( 0.000 0.000 -1.686) 1.686 3.872 ( 0.000 0.000 -3.578) 3.578 3.933 ( 0.000 0.000 6.465) 6.465 4.196 ( 0.000 0.000 4.475) 4.475 4.231 ( -0.000 0.000 -2.999) 2.999 4.518 ( 0.000 0.000 -11.878) 11.878 4.523 ( -0.000 0.000 -0.847) 0.847 4.775 ( 0.000 0.000 5.771) 5.771 4.932 ( 0.000 0.000 4.227) 4.227 5.055 ( 0.000 0.000 -8.121) 8.121 5.093 ( 0.000 0.000 -6.217) 6.217 5.344 ( 0.000 0.000 15.120) 15.120 5.364 ( -0.000 0.000 11.414) 11.414 5.592 ( 0.000 0.000 2.274) 2.274 5.624 ( 0.000 0.000 2.224) 2.224 5.807 ( 0.000 0.000 -1.056) 1.056 6.194 ( 0.000 0.000 -5.926) 5.926 6.500 ( 0.000 0.000 -4.467) 4.467 6.603 ( 0.000 0.000 -3.171) 3.171 6.636 ( 0.000 0.000 -1.644) 1.644 6.921 ( 0.000 0.000 -9.262) 9.262 7.409 ( 0.000 0.000 10.613) 10.613 7.498 ( 0.000 0.000 4.353) 4.353 7.755 ( -0.000 0.000 22.595) 22.595 8.077 ( 0.000 0.000 0.722) 0.722 8.292 ( 0.000 0.000 -0.046) 0.046 8.344 ( 0.000 0.000 -0.255) 0.255 8.397 ( 0.000 0.000 0.182) 0.182 8.728 ( 0.000 0.000 0.847) 0.847 8.806 ( 0.000 0.000 12.991) 12.991 8.943 ( 0.000 0.000 31.188) 31.188 9.281 ( 0.000 0.000 -7.577) 7.577 9.441 ( 0.000 0.000 -4.880) 4.880 9.485 ( 0.000 0.000 2.321) 2.321 9.849 ( 0.000 0.000 -0.537) 0.537 9.855 ( 0.000 0.000 -2.545) 2.545 10.181 ( 0.000 0.000 -3.687) 3.687 10.988 ( 0.000 0.000 -5.250) 5.250 11.250 ( 0.000 0.000 -17.537) 17.537 11.286 ( -0.000 0.000 -6.435) 6.435 11.316 ( 0.000 0.000 6.475) 6.475 11.842 ( 0.000 0.000 9.887) 9.887 12.008 ( 0.000 0.000 -2.205) 2.205 12.038 ( 0.000 0.000 -3.632) 3.632 12.151 ( 0.000 0.000 9.611) 9.611 13.226 ( 0.000 0.000 2.407) 2.407 13.608 ( 0.000 0.000 0.308) 0.308 13.839 ( 0.000 0.000 -19.863) 19.863 14.294 ( 0.000 0.000 -11.615) 11.615 14.782 ( 0.000 0.000 -25.518) 25.518 14.838 ( -0.000 0.000 -31.527) 31.527 15.513 ( 0.000 0.000 18.270) 18.270 15.599 ( 0.000 0.000 14.895) 14.895 15.694 ( 0.000 0.000 -3.338) 3.338 15.706 ( -0.000 0.000 -2.195) 2.195 16.769 ( 0.000 0.000 5.228) 5.228 16.817 ( 0.000 0.000 4.362) 4.362 16.969 ( 0.000 0.000 50.750) 50.750 16.975 ( 0.000 0.000 64.495) 64.495 19.712 ( 0.000 0.000 -8.494) 8.494 19.732 ( 0.000 0.000 3.628) 3.628 24.080 ( 0.000 0.000 -7.580) 7.580 24.173 ( 0.000 0.000 -8.336) 8.336 ======================= Grid point 66 (25/90) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 0.000 14.717 18.128) 23.350 0.774 ( 0.000 18.448 20.035) 27.235 1.169 ( 0.000 -3.676 11.635) 12.202 1.381 ( 0.000 25.333 26.143) 36.404 1.473 ( 0.000 -16.668 11.227) 20.097 1.884 ( 0.000 5.111 7.449) 9.034 1.963 ( 0.000 2.168 -1.449) 2.608 2.149 ( 0.000 6.221 19.067) 20.057 2.204 ( 0.000 3.048 7.107) 7.733 2.306 ( 0.000 -4.988 4.683) 6.842 2.473 ( 0.000 -9.139 14.741) 17.344 2.486 ( 0.000 2.082 2.876) 3.551 2.684 ( 0.000 -12.075 4.001) 12.720 2.779 ( 0.000 -1.929 18.203) 18.305 2.869 ( 0.000 -14.587 2.567) 14.811 2.932 ( 0.000 -12.525 5.536) 13.694 3.000 ( 0.000 -1.156 -3.175) 3.379 3.137 ( 0.000 -2.006 -0.669) 2.115 3.197 ( 0.000 3.602 3.010) 4.694 3.263 ( 0.000 1.801 1.469) 2.324 3.330 ( 0.000 3.304 -3.336) 4.695 3.371 ( 0.000 -2.606 11.710) 11.996 3.846 ( 0.000 7.016 -2.621) 7.489 4.172 ( 0.000 0.229 -7.618) 7.621 4.214 ( 0.000 15.535 -11.367) 19.250 4.398 ( 0.000 -2.436 -2.091) 3.211 4.433 ( 0.000 1.995 -1.970) 2.804 4.515 ( 0.000 -1.526 3.470) 3.790 4.902 ( 0.000 13.460 6.332) 14.875 5.194 ( 0.000 -2.771 12.717) 13.015 5.236 ( 0.000 1.472 -4.856) 5.074 5.251 ( 0.000 -0.936 -4.478) 4.575 5.370 ( 0.000 2.070 -0.505) 2.131 5.389 ( 0.000 1.399 -0.291) 1.429 5.522 ( 0.000 1.706 13.420) 13.528 5.584 ( 0.000 -0.625 12.323) 12.339 5.872 ( 0.000 1.943 -0.732) 2.077 5.939 ( 0.000 -1.170 -5.096) 5.229 6.383 ( 0.000 2.144 -5.219) 5.642 6.549 ( 0.000 -5.555 -6.211) 8.333 7.020 ( 0.000 1.148 -9.579) 9.647 7.056 ( 0.000 -1.235 -5.091) 5.239 7.517 ( 0.000 -3.927 6.305) 7.427 7.526 ( 0.000 -4.400 7.526) 8.718 7.815 ( 0.000 11.426 14.183) 18.212 8.078 ( 0.000 7.806 -5.763) 9.702 8.198 ( 0.000 -4.595 7.693) 8.961 8.285 ( 0.000 -3.067 -1.931) 3.624 8.482 ( 0.000 3.186 -0.959) 3.327 8.648 ( 0.000 -2.005 -1.885) 2.752 8.849 ( 0.000 -3.093 6.566) 7.258 9.088 ( 0.000 -25.683 20.860) 33.087 9.227 ( 0.000 0.765 -0.263) 0.809 9.272 ( 0.000 -2.982 2.225) 3.721 9.715 ( 0.000 5.005 -3.305) 5.998 9.914 ( 0.000 -3.622 -0.745) 3.698 10.288 ( 0.000 9.105 -5.582) 10.680 10.426 ( 0.000 -0.891 -1.998) 2.187 11.140 ( 0.000 2.786 -1.565) 3.195 11.183 ( 0.000 0.106 -10.216) 10.217 11.242 ( 0.000 1.631 -3.407) 3.777 11.573 ( 0.000 -14.887 7.361) 16.608 11.858 ( 0.000 0.122 1.658) 1.663 11.991 ( 0.000 -4.733 0.044) 4.733 12.158 ( 0.000 0.764 1.150) 1.380 12.173 ( 0.000 -5.300 16.974) 17.782 12.556 ( 0.000 2.024 -6.797) 7.092 12.629 ( 0.000 1.205 -16.476) 16.520 14.154 ( 0.000 16.793 -18.410) 24.918 14.545 ( 0.000 -5.620 -25.520) 26.131 14.967 ( 0.000 4.786 -19.577) 20.154 15.062 ( 0.000 1.857 -0.302) 1.882 15.497 ( 0.000 -0.595 5.717) 5.747 15.616 ( 0.000 -5.526 7.186) 9.065 15.850 ( 0.000 7.327 5.625) 9.237 16.274 ( 0.000 -16.990 1.476) 17.054 17.143 ( 0.000 16.556 -4.031) 17.040 17.397 ( 0.000 3.501 -4.239) 5.497 17.419 ( 0.000 -2.184 0.814) 2.330 17.776 ( 0.000 -13.099 19.570) 23.550 18.428 ( 0.000 24.653 83.365) 86.934 20.593 ( 0.000 -121.971 129.143) 177.637 24.838 ( 0.000 21.739 -37.445) 43.298 25.064 ( 0.000 -0.653 -27.702) 27.710 ======================= Grid point 67 (26/90) ======================= q-point: ( 0.10 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 8.571 12.395 14.846) 21.154 0.892 ( 11.076 14.734 17.618) 25.498 1.288 ( 7.864 -12.186 6.843) 16.036 1.492 ( 10.234 21.842 21.849) 32.545 1.532 ( 7.056 -9.004 12.403) 16.873 1.887 ( 0.283 4.438 7.638) 8.839 1.914 ( -4.016 4.489 -0.617) 6.055 2.143 ( -1.234 3.110 13.239) 13.655 2.186 ( 0.411 3.788 10.646) 11.307 2.284 ( -2.794 -2.064 4.625) 5.784 2.397 ( -2.250 1.852 7.643) 8.180 2.473 ( -1.075 -3.066 7.794) 8.444 2.692 ( -0.356 -9.978 4.413) 10.916 2.778 ( -0.095 -4.867 11.119) 12.138 2.879 ( 1.039 -11.073 8.150) 13.789 2.918 ( -1.396 -14.859 6.568) 16.305 3.092 ( 3.739 -1.212 -0.974) 4.050 3.156 ( 4.605 -0.256 -1.085) 4.738 3.193 ( -0.189 2.344 4.047) 4.680 3.329 ( 4.407 0.712 -0.718) 4.522 3.360 ( 2.262 0.383 4.458) 5.013 3.452 ( 7.597 -4.025 -1.149) 8.674 3.854 ( 0.803 6.204 -1.385) 6.407 4.111 ( -5.290 11.681 -8.313) 15.282 4.224 ( 0.611 2.465 -7.465) 7.886 4.351 ( -4.240 -4.187 0.834) 6.017 4.426 ( 1.370 3.709 -2.056) 4.456 4.579 ( 3.405 -2.742 -3.756) 5.763 4.890 ( -1.409 11.859 5.840) 13.294 5.164 ( -2.798 -2.168 10.439) 11.023 5.211 ( -2.034 0.088 -3.161) 3.760 5.249 ( -1.330 -0.291 -6.181) 6.329 5.399 ( 3.363 1.899 0.599) 3.908 5.462 ( 6.319 -0.335 -0.130) 6.329 5.509 ( -0.980 2.028 13.094) 13.287 5.578 ( 0.124 -0.506 10.997) 11.009 5.845 ( -2.698 1.893 -0.576) 3.346 5.907 ( -3.139 -1.005 -4.411) 5.506 6.384 ( 0.414 3.066 -4.737) 5.658 6.573 ( 2.006 -5.502 -6.125) 8.474 6.974 ( -3.974 1.767 -7.832) 8.958 7.046 ( -1.501 -1.992 -6.325) 6.800 7.493 ( -1.588 -2.812 7.169) 7.863 7.541 ( 0.743 -4.951 8.220) 9.625 7.783 ( -2.645 10.070 12.302) 16.116 8.105 ( 0.984 5.979 -3.014) 6.768 8.156 ( -0.875 -3.206 5.222) 6.190 8.364 ( 5.966 -2.560 0.196) 6.495 8.469 ( -1.274 3.426 -0.308) 3.668 8.620 ( -2.766 -1.321 -1.957) 3.637 8.843 ( -0.705 -3.189 7.331) 8.026 9.060 ( -2.920 -24.643 24.674) 34.994 9.243 ( 1.559 0.766 -0.511) 1.811 9.288 ( 1.605 -1.965 1.003) 2.728 9.700 ( -1.770 4.269 -2.172) 5.106 9.873 ( -4.506 -2.622 1.286) 5.369 10.147 ( -9.404 14.255 1.262) 17.124 10.406 ( -3.139 -2.544 -2.417) 4.708 11.130 ( -1.306 3.125 -0.970) 3.524 11.164 ( -0.895 0.810 -9.809) 9.884 11.253 ( 0.599 0.144 -5.241) 5.277 11.509 ( -5.923 -13.765 10.662) 18.391 11.833 ( -1.389 4.360 5.010) 6.785 12.000 ( 0.829 -3.529 0.338) 3.641 12.082 ( -4.021 0.134 5.336) 6.682 12.152 ( -2.508 -0.959 4.628) 5.350 12.637 ( 8.446 1.126 -6.675) 10.823 12.713 ( 7.032 -0.568 -8.686) 11.190 14.128 ( -2.781 18.272 -14.259) 23.344 14.584 ( 3.316 -6.506 -27.861) 28.802 14.926 ( -3.893 3.571 -20.633) 21.298 14.945 ( -9.176 2.783 -4.694) 10.676 15.486 ( -0.612 -1.027 5.298) 5.432 15.601 ( -1.406 -7.014 7.228) 10.169 15.894 ( 4.122 8.874 7.319) 12.219 16.309 ( 2.625 -14.763 1.958) 15.121 17.045 ( -10.376 16.693 -2.396) 19.800 17.260 ( -9.577 3.108 26.187) 28.056 17.271 ( -11.064 -1.444 24.640) 27.049 17.685 ( -10.825 -12.592 11.916) 20.438 18.596 ( 15.676 23.456 61.389) 67.562 20.337 ( -17.999 -76.513 91.396) 120.546 24.563 ( -18.337 24.687 -21.681) 37.627 24.936 ( -12.031 -2.289 -24.653) 27.527 ======================= Grid point 68 (27/90) ======================= q-point: ( 0.20 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 13.846 1.541 6.780) 15.494 1.143 ( 12.440 6.936 13.069) 19.330 1.362 ( 0.763 -11.632 4.051) 12.341 1.641 ( 6.656 -6.004 10.234) 13.605 1.774 ( 7.078 10.543 5.735) 13.934 1.882 ( 6.983 16.148 6.041) 18.601 1.899 ( 0.798 2.167 8.366) 8.679 2.129 ( -0.225 0.343 10.233) 10.241 2.208 ( 1.566 3.315 3.343) 4.961 2.279 ( 1.760 -0.040 9.403) 9.567 2.373 ( -0.616 2.176 5.721) 6.151 2.446 ( -1.351 -3.034 8.938) 9.535 2.673 ( -1.905 -6.417 -0.035) 6.694 2.781 ( 1.090 -5.744 7.368) 9.406 2.874 ( -0.968 -2.662 10.219) 10.605 2.951 ( 5.188 -16.649 6.564) 18.633 3.131 ( 0.775 2.204 7.569) 7.921 3.197 ( 2.184 2.751 -0.189) 3.518 3.264 ( 4.096 -2.171 3.184) 5.624 3.395 ( 2.612 0.610 -3.726) 4.590 3.446 ( 6.498 -1.716 3.467) 7.563 3.571 ( 4.047 -1.712 -5.460) 7.009 3.862 ( -0.789 5.784 2.014) 6.175 4.008 ( -4.325 12.720 -6.644) 14.988 4.226 ( -0.468 -3.178 -3.989) 5.121 4.275 ( -3.468 -6.723 1.934) 7.808 4.460 ( 1.853 3.260 -4.181) 5.616 4.618 ( 0.581 -3.832 -8.474) 9.319 4.850 ( -2.391 9.253 5.880) 11.221 5.099 ( -3.680 -2.877 9.305) 10.412 5.167 ( -2.319 -0.189 -4.877) 5.404 5.193 ( -3.970 -0.413 -7.065) 8.115 5.446 ( -0.610 1.163 9.169) 9.262 5.474 ( -1.848 0.279 9.838) 10.014 5.568 ( 5.182 1.986 5.691) 7.949 5.689 ( 10.346 -2.748 -2.363) 10.963 5.775 ( -3.974 1.710 0.035) 4.327 5.827 ( -4.815 -0.711 -2.481) 5.463 6.407 ( 2.038 4.421 -4.131) 6.384 6.608 ( 1.294 -4.813 -5.675) 7.553 6.883 ( -5.069 2.508 -6.080) 8.304 7.000 ( -2.940 -3.231 -7.014) 8.263 7.463 ( -1.367 -1.055 8.578) 8.750 7.549 ( -0.030 -4.292 9.660) 10.570 7.736 ( -1.775 7.142 10.741) 13.020 8.063 ( -3.063 -5.916 3.725) 7.633 8.226 ( 5.643 7.734 0.943) 9.620 8.435 ( -1.979 3.528 0.262) 4.054 8.489 ( 6.443 -1.992 0.938) 6.809 8.547 ( -4.410 0.220 -1.337) 4.614 8.823 ( -1.289 -3.276 9.215) 9.865 8.986 ( -4.090 -18.385 29.203) 34.750 9.280 ( 2.031 1.055 -1.366) 2.666 9.330 ( 2.520 -1.050 -1.124) 2.952 9.633 ( -4.638 6.611 2.666) 8.504 9.788 ( -2.469 -0.532 1.441) 2.908 10.030 ( -3.288 10.905 0.008) 11.390 10.319 ( -5.078 -3.724 -1.473) 6.467 11.090 ( -2.324 3.295 -3.225) 5.163 11.167 ( 0.891 0.809 -8.315) 8.401 11.259 ( 0.035 -0.759 -6.894) 6.936 11.397 ( -4.639 -8.644 10.593) 14.438 11.829 ( 0.756 6.521 7.032) 9.620 12.007 ( -0.367 1.355 -0.341) 1.444 12.048 ( 0.480 -3.722 2.170) 4.335 12.109 ( -1.695 -1.588 1.178) 2.604 12.839 ( 10.925 0.047 -1.086) 10.979 12.895 ( 12.162 -0.709 -7.693) 14.408 14.042 ( -5.958 19.200 -7.273) 21.378 14.634 ( 0.513 -9.125 -29.174) 30.572 14.806 ( -4.272 2.022 -16.661) 17.319 14.841 ( -3.858 1.810 -23.993) 24.369 15.481 ( -0.048 -1.341 5.648) 5.806 15.567 ( -2.009 -7.265 6.836) 10.176 15.973 ( 2.905 9.163 11.373) 14.891 16.329 ( -2.028 -10.816 2.003) 11.185 16.808 ( -10.634 13.931 7.787) 19.178 17.088 ( -6.704 -1.704 48.527) 49.018 17.120 ( -5.885 1.916 38.375) 38.871 17.378 ( -18.748 -8.676 10.856) 23.337 18.946 ( 18.406 18.506 29.145) 39.124 20.072 ( -9.185 -34.853 38.127) 52.467 24.298 ( -9.262 14.887 -11.971) 21.230 24.659 ( -14.874 -3.899 -18.442) 24.011 ======================= Grid point 69 (28/90) ======================= q-point: ( 0.30 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 10.069 -9.174 1.845) 13.746 1.235 ( 3.041 -8.315 -2.046) 9.087 1.486 ( 11.266 3.808 15.020) 19.158 1.683 ( -2.274 8.692 -0.096) 8.985 1.844 ( 4.896 -4.328 8.076) 10.389 1.914 ( 0.809 -1.480 7.761) 7.942 2.073 ( 3.491 6.220 1.945) 7.393 2.161 ( 5.777 6.793 10.677) 13.911 2.211 ( -1.379 -2.037 -0.961) 2.641 2.308 ( -0.689 0.909 0.293) 1.178 2.345 ( -0.995 3.208 7.680) 8.382 2.477 ( 3.593 -3.198 13.552) 14.380 2.620 ( -1.688 -1.877 -2.490) 3.546 2.787 ( -1.128 2.905 8.119) 8.697 2.903 ( 2.991 -4.180 12.208) 13.246 3.079 ( 6.692 -10.091 -1.354) 12.184 3.132 ( -0.619 0.691 8.413) 8.464 3.283 ( 6.808 0.751 1.054) 6.930 3.316 ( 1.915 1.092 6.773) 7.122 3.470 ( 5.268 1.931 -4.481) 7.181 3.565 ( 4.739 -2.389 -0.098) 5.309 3.633 ( 3.027 2.000 -4.935) 6.125 3.812 ( -3.156 10.383 0.497) 10.864 3.961 ( -0.968 6.483 -0.700) 6.592 4.204 ( -2.077 -7.755 1.703) 8.207 4.219 ( -1.952 -6.634 -1.012) 6.989 4.487 ( 0.696 1.853 -3.971) 4.437 4.604 ( -1.885 -4.013 -10.371) 11.279 4.811 ( -1.318 6.738 6.267) 9.296 5.023 ( -4.014 -3.382 8.329) 9.845 5.114 ( -3.530 0.326 -7.479) 8.276 5.128 ( -1.722 -0.408 -7.124) 7.340 5.407 ( -2.430 0.693 12.835) 13.081 5.426 ( -2.750 -0.212 11.286) 11.618 5.689 ( -1.725 1.587 1.184) 2.626 5.695 ( 4.364 3.193 0.708) 5.454 5.729 ( -4.703 -0.433 -0.193) 4.727 5.898 ( 9.520 -5.662 -3.833) 11.721 6.459 ( 3.032 4.740 -4.060) 6.938 6.619 ( -0.195 -3.286 -4.844) 5.857 6.786 ( -4.716 3.106 -4.399) 7.158 6.942 ( -2.823 -4.206 -7.708) 9.224 7.442 ( -0.804 0.595 9.957) 10.007 7.538 ( -0.932 -1.797 9.404) 9.619 7.721 ( 0.103 3.212 11.961) 12.385 8.011 ( -2.145 -7.904 3.711) 8.991 8.344 ( 6.023 8.669 2.195) 10.782 8.396 ( -1.883 3.782 0.300) 4.236 8.460 ( -4.110 1.496 -1.073) 4.503 8.605 ( 5.117 -1.830 1.481) 5.633 8.798 ( -1.112 -3.143 11.561) 12.032 8.918 ( -2.722 -11.279 27.597) 29.936 9.313 ( 1.143 1.980 -3.027) 3.794 9.379 ( 2.269 -1.100 -2.960) 3.889 9.563 ( -2.228 7.357 3.585) 8.482 9.767 ( -0.371 -3.672 0.303) 3.703 9.985 ( -1.661 7.797 -1.868) 8.188 10.228 ( -3.978 -3.827 -2.103) 5.907 11.050 ( -1.668 3.296 -4.274) 5.649 11.190 ( 1.154 -0.976 -10.007) 10.120 11.258 ( 0.235 -0.527 -5.586) 5.615 11.338 ( -1.523 -4.165 5.420) 7.003 11.852 ( 1.437 5.972 8.335) 10.354 12.004 ( 0.145 1.396 -1.752) 2.245 12.064 ( 0.305 -2.642 -1.444) 3.027 12.086 ( -0.389 -3.322 4.848) 5.890 13.044 ( 10.182 2.348 0.992) 10.496 13.177 ( 16.207 -3.065 -8.148) 18.397 13.910 ( -7.132 16.805 -3.684) 18.623 14.561 ( -7.814 -11.864 -23.451) 27.418 14.769 ( -0.029 1.596 -25.192) 25.243 14.813 ( 0.550 0.307 -29.258) 29.265 15.479 ( -0.116 -1.145 7.433) 7.522 15.533 ( -0.988 -5.546 5.605) 7.947 15.964 ( -4.702 7.877 15.479) 17.993 16.182 ( -12.447 -3.262 2.368) 13.083 16.711 ( 0.194 5.876 6.145) 8.504 16.970 ( -7.463 -5.395 32.418) 33.701 17.031 ( -3.388 0.731 48.501) 48.625 17.065 ( -9.540 -0.757 30.838) 32.288 19.275 ( 15.133 12.164 9.719) 21.712 19.941 ( -5.305 -17.201 11.605) 21.417 24.170 ( -4.464 7.153 -8.946) 12.293 24.398 ( -11.366 -3.276 -13.016) 17.588 ======================= Grid point 70 (29/90) ======================= q-point: ( 0.40 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -1.657 -5.308 -2.311) 6.022 1.506 ( 13.044 -14.434 -3.011) 19.687 1.617 ( -0.837 7.813 1.966) 8.099 1.703 ( 7.519 5.073 13.944) 16.635 1.888 ( -0.187 1.264 12.180) 12.247 1.928 ( -0.384 -4.339 6.105) 7.499 2.102 ( 1.819 -2.740 0.810) 3.387 2.173 ( -2.271 -3.859 -2.199) 4.989 2.210 ( -2.469 -3.231 2.938) 5.016 2.237 ( -4.360 -3.932 -0.856) 5.933 2.399 ( 4.474 5.388 6.184) 9.342 2.527 ( 3.934 -1.308 8.392) 9.360 2.646 ( 1.709 8.739 -0.150) 8.905 2.770 ( 0.042 5.915 6.289) 8.634 2.901 ( -3.712 -1.093 7.608) 8.535 3.096 ( -2.110 2.992 5.907) 6.950 3.221 ( 7.374 -4.027 -0.981) 8.459 3.348 ( 1.388 3.019 5.105) 6.091 3.419 ( 5.208 -2.498 2.322) 6.225 3.571 ( 2.650 1.604 -1.762) 3.564 3.635 ( 3.327 3.641 -0.597) 4.968 3.682 ( 2.386 4.563 -4.068) 6.562 3.801 ( 2.389 3.075 -1.733) 4.262 3.947 ( -0.707 3.417 4.020) 5.323 4.160 ( -1.991 -6.716 4.448) 8.298 4.188 ( -1.577 -7.566 -2.095) 8.007 4.491 ( -0.002 0.242 -3.622) 3.630 4.553 ( -2.994 -3.000 -9.279) 10.202 4.800 ( 0.028 4.081 5.886) 7.162 4.949 ( -3.325 -2.760 6.167) 7.530 5.067 ( -1.275 0.622 -7.748) 7.876 5.100 ( -1.166 -0.748 -6.987) 7.123 5.365 ( -1.706 0.403 13.749) 13.860 5.380 ( -1.770 -0.259 11.639) 11.775 5.627 ( -2.391 1.092 2.148) 3.394 5.653 ( -2.820 -0.111 1.686) 3.288 5.801 ( 4.018 3.733 -0.931) 5.563 6.046 ( 5.345 -7.626 -4.244) 10.234 6.516 ( 2.550 3.916 -4.317) 6.362 6.607 ( -0.801 -1.539 -3.853) 4.226 6.707 ( -3.131 3.771 -3.254) 5.883 6.896 ( -1.777 -4.480 -7.990) 9.330 7.431 ( -0.352 1.640 10.900) 11.028 7.520 ( -0.743 -0.168 8.339) 8.373 7.730 ( 0.528 0.819 14.180) 14.213 7.980 ( -1.036 -8.595 2.779) 9.092 8.364 ( -1.053 2.949 0.737) 3.217 8.390 ( -2.386 3.275 -0.437) 4.075 8.456 ( 4.260 8.597 1.091) 9.657 8.678 ( 2.191 -1.825 3.205) 4.290 8.783 ( -0.380 -2.867 13.161) 13.475 8.882 ( -1.062 -7.640 24.022) 25.230 9.324 ( 0.167 3.061 -4.784) 5.682 9.413 ( 1.234 -1.496 -4.312) 4.728 9.541 ( -0.327 6.059 3.500) 7.005 9.762 ( -0.197 -5.041 0.708) 5.095 9.961 ( -0.850 6.387 -2.966) 7.093 10.168 ( -2.119 -3.629 -3.317) 5.353 11.026 ( -0.814 3.230 -4.734) 5.789 11.198 ( -0.223 -4.234 -9.331) 10.249 11.279 ( 1.619 1.050 -5.328) 5.666 11.326 ( -0.076 -0.764 -0.988) 1.252 11.878 ( 1.119 5.113 9.310) 10.681 12.009 ( 0.212 0.585 -2.033) 2.126 12.048 ( -1.189 -0.776 -3.925) 4.174 12.098 ( 0.872 -4.396 8.785) 9.862 13.222 ( 7.439 5.623 0.638) 9.347 13.499 ( 15.549 -6.337 -8.650) 18.888 13.788 ( -4.514 12.394 -3.633) 13.682 14.361 ( -11.946 -12.401 -16.907) 24.132 14.783 ( 1.065 1.433 -27.205) 27.264 14.829 ( 0.721 -0.393 -30.695) 30.706 15.486 ( 1.187 -0.319 10.962) 11.031 15.543 ( 2.010 -3.612 6.521) 7.721 15.807 ( -9.409 6.146 11.874) 16.349 15.918 ( -13.037 -0.229 -0.125) 13.039 16.749 ( 2.357 1.653 5.060) 5.822 16.840 ( -3.740 -2.273 5.914) 7.357 16.984 ( -1.479 0.210 50.865) 50.887 16.988 ( -1.491 0.065 60.727) 60.746 19.530 ( 11.129 5.650 0.276) 12.485 19.840 ( -5.507 -7.746 0.916) 9.548 24.112 ( -1.656 3.232 -7.916) 8.709 24.227 ( -6.130 -1.828 -9.629) 11.560 ======================= Grid point 71 (30/90) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 -3.201 -2.780) 4.240 1.593 ( 0.000 12.645 0.622) 12.660 1.670 ( 0.000 -19.711 -3.783) 20.071 1.802 ( 0.000 0.104 19.818) 19.818 1.873 ( -0.000 3.813 11.236) 11.866 1.909 ( 0.000 -4.339 4.540) 6.280 2.116 ( 0.000 -2.992 -6.974) 7.588 2.137 ( 0.000 -2.220 -10.526) 10.758 2.176 ( 0.000 -6.092 15.149) 16.328 2.185 ( 0.000 -7.010 0.729) 7.048 2.455 ( -0.000 2.994 3.878) 4.899 2.586 ( 0.000 -3.871 8.315) 9.172 2.669 ( 0.000 13.793 4.741) 14.585 2.784 ( 0.000 11.350 -2.008) 11.526 2.821 ( 0.000 -0.781 4.638) 4.703 3.074 ( 0.000 2.527 6.288) 6.777 3.308 ( 0.000 2.187 -6.148) 6.526 3.360 ( 0.000 -3.424 15.701) 16.070 3.471 ( 0.000 -0.144 -6.046) 6.048 3.575 ( 0.000 5.312 0.854) 5.381 3.662 ( 0.000 6.567 -0.809) 6.616 3.734 ( 0.000 1.488 -1.897) 2.411 3.838 ( 0.000 -1.059 -3.542) 3.697 3.939 ( 0.000 1.801 6.579) 6.821 4.137 ( 0.000 -5.888 4.855) 7.631 4.168 ( -0.000 -7.034 -1.958) 7.301 4.498 ( 0.000 -1.850 -1.784) 2.570 4.509 ( 0.000 -0.968 -10.067) 10.113 4.803 ( 0.000 2.713 5.867) 6.464 4.912 ( 0.000 -2.160 4.860) 5.318 5.057 ( 0.000 0.350 -7.895) 7.903 5.087 ( 0.000 -0.738 -6.524) 6.566 5.347 ( 0.000 0.339 14.138) 14.142 5.362 ( -0.000 -0.268 11.638) 11.642 5.602 ( 0.000 0.947 2.406) 2.586 5.625 ( 0.000 -0.017 2.484) 2.484 5.842 ( 0.000 3.816 -1.440) 4.078 6.099 ( 0.000 -8.318 -4.537) 9.475 6.544 ( 0.000 2.887 -4.455) 5.309 6.597 ( 0.000 -0.593 -3.450) 3.500 6.674 ( 0.000 4.343 -2.776) 5.155 6.878 ( 0.000 -4.387 -7.938) 9.070 7.427 ( -0.000 1.980 11.233) 11.406 7.513 ( 0.000 0.231 7.890) 7.893 7.735 ( 0.000 0.174 15.145) 15.146 7.970 ( 0.000 -8.764 2.278) 9.055 8.356 ( 0.000 1.566 0.840) 1.777 8.362 ( 0.000 4.336 -1.355) 4.543 8.502 ( 0.000 9.469 1.454) 9.580 8.696 ( 0.000 -2.327 5.162) 5.662 8.781 ( 0.000 -2.563 13.485) 13.727 8.873 ( 0.000 -6.642 21.867) 22.853 9.325 ( 0.000 3.449 -5.462) 6.460 9.425 ( 0.000 -1.698 -4.851) 5.140 9.539 ( 0.000 5.510 3.531) 6.545 9.759 ( 0.000 -5.228 0.972) 5.318 9.952 ( 0.000 5.880 -3.362) 6.773 10.148 ( 0.000 -3.532 -3.875) 5.243 11.018 ( 0.000 3.193 -4.862) 5.817 11.194 ( 0.000 -4.939 -8.064) 9.457 11.299 ( -0.000 1.198 -6.742) 6.848 11.326 ( 0.000 0.367 -3.244) 3.264 11.890 ( 0.000 4.803 9.682) 10.808 12.011 ( 0.000 0.230 -2.040) 2.053 12.034 ( 0.000 -0.338 -3.275) 3.293 12.108 ( 0.000 -4.402 9.054) 10.067 13.302 ( 0.000 8.008 0.308) 8.014 13.654 ( 0.000 -0.227 -2.685) 2.694 13.788 ( 0.000 0.001 -13.824) 13.824 14.190 ( 0.000 -10.504 -9.944) 14.465 14.796 ( 0.000 1.380 -27.041) 27.076 14.836 ( 0.000 -0.344 -30.907) 30.909 15.516 ( 0.000 0.568 16.979) 16.989 15.575 ( 0.000 -2.014 14.262) 14.403 15.724 ( 0.000 2.339 -2.660) 3.542 15.731 ( -0.000 1.993 -2.201) 2.970 16.775 ( 0.000 0.668 5.154) 5.197 16.809 ( 0.000 -0.755 4.435) 4.499 16.970 ( 0.000 0.094 52.611) 52.611 16.974 ( 0.000 -0.083 62.406) 62.407 19.706 ( 0.000 -0.460 -6.503) 6.519 19.720 ( 0.000 -1.092 2.083) 2.352 24.098 ( 0.000 1.858 -7.813) 8.031 24.165 ( 0.000 -1.004 -8.347) 8.407 ======================= Grid point 77 (31/90) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 -16.455 11.470) 20.058 0.919 ( 0.000 16.455 11.470) 20.058 1.136 ( 0.000 -19.604 15.300) 24.868 1.136 ( 0.000 19.604 15.300) 24.868 1.952 ( 0.000 -1.171 2.247) 2.534 1.952 ( 0.000 1.171 2.247) 2.534 2.028 ( 0.000 -31.254 14.301) 34.371 2.028 ( 0.000 31.254 14.301) 34.371 2.279 ( 0.000 -5.876 16.444) 17.463 2.279 ( 0.000 5.876 16.444) 17.463 2.334 ( 0.000 -9.981 9.756) 13.958 2.334 ( 0.000 9.981 9.756) 13.958 2.614 ( 0.000 -8.993 -3.270) 9.569 2.614 ( 0.000 8.993 -3.270) 9.569 2.811 ( 0.000 -4.270 14.229) 14.856 2.811 ( 0.000 4.270 14.229) 14.856 3.067 ( 0.000 -4.609 -4.065) 6.145 3.067 ( 0.000 4.609 -4.065) 6.145 3.271 ( 0.000 -2.606 5.968) 6.512 3.271 ( 0.000 2.606 5.968) 6.512 3.339 ( 0.000 -0.065 1.907) 1.908 3.339 ( 0.000 0.065 1.907) 1.908 4.025 ( 0.000 -11.321 -1.132) 11.378 4.025 ( 0.000 11.321 -1.132) 11.378 4.387 ( 0.000 -2.937 -14.237) 14.537 4.387 ( 0.000 2.937 -14.237) 14.537 4.482 ( 0.000 -1.969 -0.237) 1.983 4.482 ( 0.000 1.969 -0.237) 1.983 5.094 ( 0.000 -7.699 9.392) 12.144 5.094 ( 0.000 7.699 9.392) 12.144 5.254 ( 0.000 -0.024 -4.713) 4.713 5.254 ( 0.000 0.024 -4.713) 4.713 5.400 ( 0.000 -0.659 -0.811) 1.045 5.400 ( 0.000 0.659 -0.811) 1.045 5.559 ( 0.000 -2.025 13.654) 13.803 5.559 ( 0.000 2.025 13.654) 13.803 5.910 ( 0.000 -1.971 -2.907) 3.512 5.910 ( 0.000 1.971 -2.907) 3.512 6.447 ( 0.000 -4.887 -5.563) 7.404 6.447 ( 0.000 4.887 -5.563) 7.404 7.036 ( 0.000 -0.839 -7.260) 7.308 7.036 ( 0.000 0.839 -7.260) 7.308 7.481 ( 0.000 -0.327 6.986) 6.994 7.481 ( 0.000 0.327 6.986) 6.994 8.041 ( 0.000 -12.137 14.501) 18.910 8.041 ( 0.000 12.137 14.501) 18.910 8.207 ( 0.000 -5.716 -4.095) 7.031 8.207 ( 0.000 5.716 -4.095) 7.031 8.564 ( 0.000 -6.027 2.204) 6.417 8.564 ( 0.000 6.027 2.204) 6.417 8.823 ( 0.000 -2.673 12.034) 12.327 8.823 ( 0.000 2.673 12.034) 12.327 9.245 ( 0.000 -1.166 -0.255) 1.193 9.245 ( 0.000 1.166 -0.255) 1.193 9.822 ( 0.000 -6.016 -1.399) 6.176 9.822 ( 0.000 6.016 -1.399) 6.176 10.393 ( 0.000 -3.151 -4.103) 5.173 10.393 ( 0.000 3.151 -4.103) 5.173 11.179 ( 0.000 -0.898 -8.768) 8.813 11.179 ( 0.000 0.898 -8.768) 8.813 11.333 ( 0.000 -9.298 7.032) 11.658 11.333 ( 0.000 9.298 7.032) 11.658 11.906 ( 0.000 -4.152 1.135) 4.304 11.906 ( 0.000 4.152 1.135) 4.304 12.153 ( 0.000 -0.777 9.063) 9.096 12.153 ( 0.000 0.777 9.063) 9.096 12.604 ( 0.000 -2.776 -13.294) 13.581 12.604 ( 0.000 2.776 -13.294) 13.581 14.402 ( 0.000 -10.269 -25.968) 27.925 14.402 ( 0.000 10.269 -25.968) 27.925 15.052 ( 0.000 -3.388 -10.630) 11.157 15.052 ( 0.000 3.388 -10.630) 11.157 15.524 ( 0.000 -3.839 6.063) 7.177 15.524 ( 0.000 3.839 6.063) 7.177 16.015 ( 0.000 -11.206 4.019) 11.905 16.015 ( 0.000 11.206 4.019) 11.905 17.353 ( 0.000 -5.859 2.603) 6.411 17.353 ( 0.000 5.859 2.603) 6.411 17.538 ( 0.000 -12.186 4.581) 13.018 17.538 ( 0.000 12.186 4.581) 13.018 19.085 ( 0.000 -51.837 113.369) 124.658 19.085 ( 0.000 51.837 113.369) 124.658 25.029 ( 0.000 -4.044 -30.657) 30.923 25.029 ( 0.000 4.044 -30.657) 30.923 ======================= Grid point 79 (32/90) ======================= q-point: ( 0.10 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 4.982 -16.139 9.592) 19.424 0.986 ( 4.982 16.139 9.592) 19.424 1.218 ( 8.117 -17.024 14.379) 23.717 1.218 ( 8.117 17.024 14.379) 23.717 1.934 ( -1.423 -1.421 2.508) 3.215 1.934 ( -1.423 1.421 2.508) 3.215 2.068 ( 4.016 -20.923 11.348) 24.139 2.068 ( 4.016 20.923 11.348) 24.139 2.275 ( 0.556 -1.917 14.372) 14.510 2.275 ( 0.556 1.917 14.372) 14.510 2.349 ( 0.916 -8.011 9.378) 12.368 2.349 ( 0.916 8.011 9.378) 12.368 2.583 ( -2.263 -9.535 -1.533) 9.919 2.583 ( -2.263 9.535 -1.533) 9.919 2.815 ( 0.411 -3.481 13.005) 13.469 2.815 ( 0.411 3.481 13.005) 13.469 3.110 ( 3.801 -2.529 -2.914) 5.416 3.110 ( 3.801 2.529 -2.914) 5.416 3.303 ( 1.564 -6.211 9.204) 11.213 3.303 ( 1.564 6.211 9.204) 11.213 3.376 ( 4.645 -3.109 -2.350) 6.063 3.376 ( 4.645 3.109 -2.350) 6.063 4.025 ( -0.040 -11.069 -0.383) 11.075 4.025 ( -0.040 11.069 -0.383) 11.075 4.320 ( -5.243 -3.463 -9.251) 11.183 4.320 ( -5.243 3.463 -9.251) 11.183 4.515 ( 1.944 -4.671 -5.174) 7.237 4.515 ( 1.944 4.671 -5.174) 7.237 5.067 ( -2.611 -7.528 9.399) 12.322 5.067 ( -2.611 7.528 9.399) 12.322 5.237 ( -2.136 -1.360 -5.513) 6.067 5.237 ( -2.136 1.360 -5.513) 6.067 5.438 ( 3.805 -2.066 0.420) 4.350 5.438 ( 3.805 2.066 0.420) 4.350 5.553 ( -0.012 -2.222 12.225) 12.425 5.553 ( -0.012 2.222 12.225) 12.425 5.881 ( -2.889 -1.823 -2.405) 4.178 5.881 ( -2.889 1.823 -2.405) 4.178 6.465 ( 1.751 -5.628 -5.303) 7.929 6.465 ( 1.751 5.628 -5.303) 7.929 7.007 ( -2.843 -1.975 -6.905) 7.725 7.007 ( -2.843 1.975 -6.905) 7.725 7.479 ( -0.167 -1.428 7.792) 7.923 7.479 ( -0.167 1.428 7.792) 7.923 7.984 ( -4.372 -10.900 11.108) 16.166 7.984 ( -4.372 10.900 11.108) 16.166 8.275 ( 5.490 -7.354 -1.120) 9.246 8.275 ( 5.490 7.354 -1.120) 9.246 8.552 ( -1.223 -5.559 1.875) 5.993 8.552 ( -1.223 5.559 1.875) 5.993 8.812 ( -0.969 -2.372 13.408) 13.651 8.812 ( -0.969 2.372 13.408) 13.651 9.263 ( 1.730 -1.273 -0.593) 2.228 9.263 ( 1.730 1.273 -0.593) 2.228 9.795 ( -2.659 -5.318 -0.494) 5.966 9.795 ( -2.659 5.318 -0.494) 5.966 10.328 ( -5.712 -6.392 -2.131) 8.833 10.328 ( -5.712 6.392 -2.131) 8.833 11.174 ( -0.505 -0.442 -8.485) 8.511 11.174 ( -0.505 0.442 -8.485) 8.511 11.306 ( -2.195 -7.324 6.119) 9.793 11.306 ( -2.195 7.324 6.119) 9.793 11.917 ( 1.100 -4.847 2.276) 5.466 11.917 ( 1.100 4.847 2.276) 5.466 12.116 ( -3.035 -2.560 4.986) 6.374 12.116 ( -3.035 2.560 4.986) 6.374 12.677 ( 7.165 -2.713 -9.058) 11.864 12.677 ( 7.165 2.713 -9.058) 11.864 14.416 ( 0.798 -12.294 -25.516) 28.334 14.416 ( 0.798 12.294 -25.516) 28.334 14.973 ( -7.015 -0.640 -12.294) 14.169 14.973 ( -7.015 0.640 -12.294) 14.169 15.500 ( -1.598 -3.313 6.064) 7.093 15.500 ( -1.598 3.313 6.064) 7.093 16.074 ( 4.649 -11.092 4.525) 12.849 16.074 ( 4.649 11.092 4.525) 12.849 17.229 ( -10.589 -3.702 20.023) 22.951 17.229 ( -10.589 3.702 20.023) 22.951 17.428 ( -10.112 -14.475 10.753) 20.674 17.428 ( -10.112 14.475 10.753) 20.674 19.211 ( 10.661 -45.765 78.571) 91.550 19.211 ( 10.661 45.765 78.571) 91.550 24.848 ( -15.671 -8.434 -24.970) 30.663 24.848 ( -15.671 8.434 -24.970) 30.663 ======================= Grid point 81 (33/90) ======================= q-point: ( 0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 3.024 -11.399 5.006) 12.812 1.063 ( 3.024 11.399 5.006) 12.812 1.419 ( 11.628 -13.223 13.179) 21.994 1.419 ( 11.628 13.223 13.179) 21.994 1.902 ( -1.950 -2.541 2.411) 4.009 1.902 ( -1.950 2.541 2.411) 4.009 2.140 ( 1.464 -3.390 5.472) 6.602 2.140 ( 1.464 3.390 5.472) 6.602 2.311 ( 2.137 -2.270 10.948) 11.384 2.311 ( 2.137 2.270 10.948) 11.384 2.388 ( 2.855 -9.397 6.744) 11.914 2.388 ( 2.855 9.397 6.744) 11.914 2.571 ( 3.413 -1.735 1.730) 4.202 2.571 ( 3.413 1.735 1.730) 4.202 2.829 ( 1.174 -2.016 11.063) 11.307 2.829 ( 1.174 2.016 11.063) 11.307 3.182 ( 2.819 -3.264 3.498) 5.553 3.182 ( 2.819 3.264 3.498) 5.553 3.335 ( 2.677 -7.016 4.608) 8.811 3.335 ( 2.677 7.016 4.608) 8.811 3.493 ( 6.427 -5.385 -3.640) 9.141 3.493 ( 6.427 5.385 -3.640) 9.141 4.020 ( -0.565 -10.000 1.155) 10.082 4.020 ( -0.565 10.000 1.155) 10.082 4.210 ( -5.815 -4.393 -5.986) 9.431 4.210 ( -5.815 4.393 -5.986) 9.431 4.539 ( 0.475 -4.698 -7.304) 8.698 4.539 ( 0.475 4.698 -7.304) 8.698 5.003 ( -3.692 -7.140 8.895) 11.989 5.003 ( -3.692 7.140 8.895) 11.989 5.179 ( -3.272 -1.019 -6.567) 7.408 5.179 ( -3.272 1.019 -6.567) 7.408 5.468 ( -1.623 -0.934 10.226) 10.396 5.468 ( -1.623 0.934 10.226) 10.396 5.625 ( 7.534 -3.885 1.358) 8.584 5.625 ( 7.534 3.885 1.358) 8.584 5.806 ( -4.495 -1.504 -0.981) 4.840 5.806 ( -4.495 1.504 -0.981) 4.840 6.507 ( 2.291 -5.935 -4.936) 8.052 6.507 ( 2.291 5.935 -4.936) 8.052 6.936 ( -4.185 -3.330 -6.080) 8.097 6.936 ( -4.185 3.330 -6.080) 8.097 7.477 ( -0.007 -2.637 9.493) 9.852 7.477 ( -0.007 2.637 9.493) 9.852 7.902 ( -3.642 -10.009 8.650) 13.721 7.902 ( -3.642 10.009 8.650) 13.721 8.391 ( 6.027 -7.926 -0.009) 9.957 8.391 ( 6.027 7.926 -0.009) 9.957 8.517 ( -2.210 -3.650 1.460) 4.510 8.517 ( -2.210 3.650 1.460) 4.510 8.792 ( -0.940 -2.509 15.892) 16.116 8.792 ( -0.940 2.509 15.892) 16.116 9.305 ( 2.423 -1.534 -1.545) 3.257 9.305 ( 2.423 1.534 -1.545) 3.257 9.733 ( -3.186 -4.579 1.190) 5.704 9.733 ( -3.186 4.579 1.190) 5.704 10.213 ( -5.394 -8.006 -0.967) 9.702 10.213 ( -5.394 8.006 -0.967) 9.702 11.157 ( -1.267 -2.809 -7.153) 7.789 11.157 ( -1.267 2.809 -7.153) 7.789 11.272 ( -0.847 -3.705 2.589) 4.598 11.272 ( -0.847 3.705 2.589) 4.598 11.945 ( 1.552 -5.909 4.884) 7.822 11.945 ( 1.552 5.909 4.884) 7.822 12.063 ( -2.029 -2.936 0.072) 3.569 12.063 ( -2.029 2.936 0.072) 3.569 12.863 ( 11.462 -2.119 -5.169) 12.751 12.863 ( 11.462 2.119 -5.169) 12.751 14.396 ( -3.733 -17.109 -20.458) 26.929 14.396 ( -3.733 17.109 -20.458) 26.929 14.843 ( -4.863 -1.452 -19.290) 19.947 14.843 ( -4.863 1.452 -19.290) 19.947 15.478 ( -0.708 -1.960 6.236) 6.575 15.478 ( -0.708 1.960 6.236) 6.575 16.145 ( 1.624 -9.606 5.888) 11.384 16.145 ( 1.624 9.606 5.888) 11.384 17.017 ( -10.538 -7.323 30.953) 33.508 17.017 ( -10.538 7.323 30.953) 33.508 17.204 ( -11.104 -8.171 21.862) 25.846 17.204 ( -11.104 8.171 21.862) 25.846 19.420 ( 9.812 -32.700 35.065) 48.940 19.420 ( 9.812 32.700 35.065) 48.940 24.536 ( -14.577 -9.962 -16.669) 24.281 24.536 ( -14.577 9.962 -16.669) 24.281 ======================= Grid point 83 (34/90) ======================= q-point: ( 0.30 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 4.324 -1.132 0.187) 4.473 1.129 ( 4.324 1.132 0.187) 4.473 1.641 ( 10.534 -10.294 12.542) 19.345 1.641 ( 10.534 10.294 12.542) 19.345 1.859 ( -2.231 -5.331 2.063) 6.136 1.859 ( -2.231 5.331 2.063) 6.136 2.133 ( -1.231 -4.044 5.099) 6.624 2.133 ( -1.231 4.044 5.099) 6.624 2.298 ( -4.696 -2.909 -0.628) 5.559 2.298 ( -4.696 2.909 -0.628) 5.559 2.411 ( 2.000 -3.301 10.718) 11.392 2.411 ( 2.000 3.301 10.718) 11.392 2.739 ( 8.401 -12.990 1.169) 15.514 2.739 ( 8.401 12.990 1.169) 15.514 2.876 ( 4.947 -7.252 7.209) 11.359 2.876 ( 4.947 7.252 7.209) 11.359 3.219 ( 1.703 -5.203 11.776) 12.986 3.219 ( 1.703 5.203 11.776) 12.986 3.413 ( 4.781 -6.609 -1.477) 8.290 3.413 ( 4.781 6.609 -1.477) 8.290 3.609 ( 5.317 -4.508 -5.005) 8.581 3.609 ( 5.317 4.508 -5.005) 8.581 4.003 ( -1.168 -8.865 1.705) 9.102 4.003 ( -1.168 8.865 1.705) 9.102 4.106 ( -4.472 -4.463 -2.081) 6.652 4.106 ( -4.472 4.463 -2.081) 6.652 4.533 ( -0.975 -3.327 -7.233) 8.021 4.533 ( -0.975 3.327 -7.233) 8.021 4.934 ( -3.255 -6.157 7.625) 10.326 4.934 ( -3.255 6.157 7.625) 10.326 5.121 ( -2.572 -0.352 -7.283) 7.731 5.121 ( -2.572 0.352 -7.283) 7.731 5.419 ( -2.739 -0.532 12.065) 12.383 5.419 ( -2.739 0.532 12.065) 12.383 5.715 ( -4.136 -1.174 0.718) 4.359 5.715 ( -4.136 1.174 0.718) 4.359 5.784 ( 7.369 -6.116 -1.245) 9.657 5.784 ( 7.369 6.116 -1.245) 9.657 6.548 ( 1.810 -4.513 -4.726) 6.781 6.548 ( 1.810 4.513 -4.726) 6.781 6.856 ( -3.768 -4.584 -5.407) 8.028 6.856 ( -3.768 4.584 -5.407) 8.028 7.478 ( 0.047 -3.265 11.046) 11.519 7.478 ( 0.047 3.265 11.046) 11.519 7.847 ( -2.048 -9.046 6.813) 11.508 7.847 ( -2.048 9.046 6.813) 11.508 8.449 ( -1.895 -1.913 -0.085) 2.694 8.449 ( -1.895 1.913 -0.085) 2.694 8.524 ( 4.845 -7.894 2.051) 9.486 8.524 ( 4.845 7.894 2.051) 9.486 8.777 ( -0.631 -3.117 17.119) 17.412 8.777 ( -0.631 3.117 17.119) 17.412 9.349 ( 1.891 -1.955 -2.948) 4.011 9.349 ( 1.891 1.955 -2.948) 4.011 9.683 ( -1.877 -5.580 2.238) 6.298 9.683 ( -1.877 5.580 2.238) 6.298 10.128 ( -3.433 -7.040 -2.110) 8.112 10.128 ( -3.433 7.040 -2.110) 8.112 11.129 ( -1.476 -4.797 -5.407) 7.377 11.129 ( -1.476 4.797 -5.407) 7.377 11.277 ( 1.149 -2.368 -2.114) 3.376 11.277 ( 1.149 2.368 -2.114) 3.376 11.971 ( 1.073 -6.481 7.560) 10.016 11.971 ( 1.073 6.481 7.560) 10.016 12.039 ( -0.608 -2.164 -2.620) 3.452 12.039 ( -0.608 2.164 -2.620) 3.452 13.107 ( 13.161 -4.148 -3.965) 14.358 13.107 ( 13.161 4.148 -3.965) 14.358 14.264 ( -9.108 -19.623 -13.001) 25.240 14.264 ( -9.108 19.623 -13.001) 25.240 14.800 ( -0.142 -1.515 -26.954) 26.997 14.800 ( -0.142 1.515 -26.954) 26.997 15.472 ( 0.248 -1.044 6.746) 6.831 15.472 ( 0.248 1.044 6.746) 6.831 16.096 ( -7.371 -6.103 7.734) 12.305 16.096 ( -7.371 6.103 7.734) 12.305 16.843 ( -6.015 -7.830 14.078) 17.195 16.843 ( -6.015 7.830 14.078) 17.195 17.048 ( -5.002 -1.025 44.646) 44.937 17.048 ( -5.002 1.025 44.646) 44.937 19.579 ( 6.472 -19.988 11.440) 23.922 19.579 ( 6.472 19.988 11.440) 23.922 24.306 ( -9.092 -6.733 -11.530) 16.154 24.306 ( -9.092 6.733 -11.530) 16.154 ======================= Grid point 85 (35/90) ======================= q-point: ( 0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 5.054 -10.494 -2.347) 11.882 1.227 ( 5.054 10.494 -2.347) 11.882 1.786 ( 2.063 -6.626 7.695) 10.362 1.786 ( 2.063 6.626 7.695) 10.362 1.846 ( 2.865 -4.290 6.958) 8.662 1.846 ( 2.865 4.290 6.958) 8.662 2.108 ( -1.244 -2.890 6.019) 6.791 2.108 ( -1.244 2.890 6.019) 6.791 2.176 ( -6.136 -0.835 -3.760) 7.245 2.176 ( -6.136 0.835 -3.760) 7.245 2.472 ( 3.471 -3.616 8.459) 9.832 2.472 ( 3.471 3.616 8.459) 9.832 2.793 ( -0.576 -4.899 8.544) 9.866 2.793 ( -0.576 4.899 8.544) 9.866 3.007 ( 5.309 -11.551 -7.521) 14.771 3.007 ( 5.309 11.551 -7.521) 14.771 3.268 ( 3.049 -7.398 12.863) 15.149 3.268 ( 3.049 7.398 12.863) 15.149 3.497 ( 3.268 -7.261 -2.305) 8.290 3.497 ( 3.268 7.261 -2.305) 8.290 3.700 ( 4.050 -1.892 -4.630) 6.436 3.700 ( 4.050 1.892 -4.630) 6.436 3.980 ( -0.894 -10.487 0.137) 10.526 3.980 ( -0.894 10.487 0.137) 10.526 4.043 ( -2.138 -4.461 3.549) 6.088 4.043 ( -2.138 4.461 3.549) 6.088 4.506 ( -1.541 -1.757 -6.292) 6.712 4.506 ( -1.541 1.757 -6.292) 6.712 4.881 ( -2.032 -4.405 6.298) 7.949 4.881 ( -2.032 4.405 6.298) 7.949 5.083 ( -1.329 -1.012 -7.348) 7.535 5.083 ( -1.329 1.012 -7.348) 7.535 5.373 ( -1.790 -0.428 12.425) 12.561 5.373 ( -1.790 0.428 12.425) 12.561 5.645 ( -2.628 -0.774 2.128) 3.469 5.645 ( -2.628 0.774 2.128) 3.469 5.903 ( 4.376 -7.204 -2.226) 8.718 5.903 ( 4.376 7.204 -2.226) 8.718 6.573 ( 0.787 -2.297 -4.286) 4.926 6.573 ( 0.787 2.297 -4.286) 4.926 6.798 ( -2.085 -5.719 -5.240) 8.032 6.798 ( -2.085 5.719 -5.240) 8.032 7.478 ( -0.018 -3.284 11.939) 12.382 7.478 ( -0.018 3.284 11.939) 12.382 7.820 ( -0.794 -8.014 5.731) 9.885 7.820 ( -0.794 8.014 5.731) 9.885 8.407 ( -1.769 -1.580 -0.178) 2.379 8.407 ( -1.769 1.580 -0.178) 2.379 8.618 ( 4.052 -7.042 2.840) 8.607 8.618 ( 4.052 7.042 2.840) 8.607 8.764 ( -0.813 -3.333 17.137) 17.477 8.764 ( -0.813 3.333 17.137) 17.477 9.375 ( 0.834 -2.532 -4.322) 5.078 9.375 ( 0.834 2.532 -4.322) 5.078 9.660 ( -0.624 -6.244 2.901) 6.914 9.660 ( -0.624 6.245 2.901) 6.914 10.078 ( -1.734 -6.037 -3.457) 7.169 10.078 ( -1.734 6.037 -3.457) 7.169 11.106 ( -0.847 -5.159 -4.819) 7.110 11.106 ( -0.847 5.159 -4.819) 7.110 11.305 ( 1.403 -1.462 -5.463) 5.827 11.305 ( 1.403 1.462 -5.463) 5.827 11.986 ( 0.479 -5.672 7.722) 9.593 11.986 ( 0.479 5.672 7.722) 9.593 12.033 ( -0.106 -0.308 -1.776) 1.805 12.033 ( -0.106 0.308 -1.776) 1.805 13.356 ( 11.620 -8.410 -4.170) 14.938 13.356 ( 11.620 8.410 -4.170) 14.938 14.075 ( -9.499 -17.387 -8.859) 21.703 14.075 ( -9.499 17.387 -8.859) 21.703 14.812 ( 0.854 -1.437 -29.188) 29.236 14.812 ( 0.854 1.437 -29.188) 29.236 15.495 ( 2.312 -1.567 9.298) 9.708 15.495 ( 2.312 1.567 9.298) 9.708 15.893 ( -11.377 -2.960 4.473) 12.577 15.893 ( -11.377 2.960 4.473) 12.577 16.791 ( -0.386 -2.782 5.982) 6.609 16.791 ( -0.386 2.782 5.982) 6.609 16.987 ( -1.668 -0.139 55.079) 55.105 16.987 ( -1.668 0.139 55.079) 55.105 19.673 ( 3.185 -9.384 0.946) 9.955 19.673 ( 3.185 9.384 0.946) 9.955 24.177 ( -4.252 -3.469 -8.973) 10.518 24.177 ( -4.252 3.469 -8.973) 10.518 ======================= Grid point 87 (36/90) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.000 -16.060 -2.798) 16.302 1.286 ( 0.000 16.060 -2.798) 16.302 1.789 ( 0.000 -8.698 3.654) 9.435 1.789 ( 0.000 8.698 3.654) 9.435 1.892 ( 0.000 -3.513 11.601) 12.121 1.892 ( 0.000 3.513 11.601) 12.121 2.092 ( 0.000 -0.146 -1.389) 1.397 2.092 ( 0.000 0.146 -1.389) 1.397 2.109 ( 0.000 -1.736 2.772) 3.270 2.109 ( 0.000 1.736 2.772) 3.270 2.514 ( -0.000 -3.561 6.253) 7.196 2.514 ( 0.000 3.561 6.253) 7.196 2.778 ( 0.000 -3.392 10.949) 11.462 2.778 ( 0.000 3.392 10.949) 11.462 3.055 ( 0.000 -9.523 -10.275) 14.009 3.055 ( 0.000 9.523 -10.275) 14.009 3.304 ( 0.000 -0.453 9.273) 9.284 3.304 ( 0.000 0.453 9.273) 9.284 3.528 ( 0.000 -6.428 -2.260) 6.813 3.528 ( 0.000 6.428 -2.260) 6.813 3.748 ( 0.000 -0.937 -2.988) 3.132 3.748 ( 0.000 0.937 -2.988) 3.132 3.973 ( 0.000 -11.012 -1.142) 11.071 3.973 ( 0.000 11.012 -1.142) 11.071 4.020 ( 0.000 -4.503 6.474) 7.886 4.020 ( 0.000 4.503 6.474) 7.886 4.488 ( 0.000 -0.854 -5.721) 5.784 4.488 ( 0.000 0.854 -5.721) 5.784 4.860 ( 0.000 -3.227 5.738) 6.583 4.860 ( 0.000 3.227 5.738) 6.583 5.070 ( 0.000 -0.946 -7.252) 7.313 5.070 ( 0.000 0.946 -7.252) 7.313 5.355 ( 0.000 -0.449 12.535) 12.543 5.355 ( 0.000 0.449 12.535) 12.543 5.619 ( 0.000 -0.683 2.611) 2.699 5.619 ( 0.000 0.683 2.611) 2.699 5.947 ( 0.000 -7.522 -2.610) 7.963 5.947 ( 0.000 7.522 -2.610) 7.963 6.580 ( 0.000 -1.300 -3.898) 4.109 6.580 ( 0.000 1.300 -3.898) 4.109 6.777 ( 0.000 -6.168 -5.330) 8.152 6.777 ( 0.000 6.168 -5.330) 8.152 7.478 ( 0.000 -3.190 12.192) 12.603 7.478 ( 0.000 3.190 12.192) 12.603 7.813 ( 0.000 -7.547 5.414) 9.288 7.813 ( 0.000 7.547 5.414) 9.288 8.389 ( 0.000 -1.241 -0.388) 1.300 8.389 ( 0.000 1.241 -0.388) 1.300 8.663 ( 0.000 -4.645 2.739) 5.393 8.663 ( 0.000 4.645 2.739) 5.393 8.752 ( 0.000 -2.807 17.608) 17.831 8.752 ( 0.000 2.807 17.608) 17.831 9.383 ( 0.000 -2.834 -4.893) 5.654 9.383 ( 0.000 2.834 -4.893) 5.654 9.654 ( 0.000 -6.334 3.183) 7.089 9.654 ( 0.000 6.334 3.183) 7.089 10.061 ( 0.000 -5.680 -4.010) 6.953 10.061 ( 0.000 5.680 -4.010) 6.953 11.097 ( 0.000 -5.173 -4.717) 7.001 11.097 ( 0.000 5.173 -4.717) 7.001 11.321 ( -0.000 -0.907 -6.788) 6.848 11.321 ( 0.000 0.907 -6.788) 6.848 11.991 ( 0.000 -4.826 6.920) 8.437 11.991 ( 0.000 4.826 6.920) 8.437 12.032 ( 0.000 -0.981 -0.356) 1.044 12.032 ( 0.000 0.981 -0.356) 1.044 13.494 ( 0.000 -11.939 -4.917) 12.912 13.494 ( 0.000 11.939 -4.917) 12.912 13.958 ( 0.000 -13.448 -6.947) 15.137 13.958 ( 0.000 13.448 -6.947) 15.137 14.822 ( 0.000 -1.202 -29.384) 29.408 14.822 ( 0.000 1.202 -29.384) 29.408 15.538 ( 0.000 -1.808 15.274) 15.380 15.538 ( 0.000 1.808 15.274) 15.380 15.751 ( -0.000 -0.241 -2.666) 2.677 15.751 ( -0.000 0.241 -2.666) 2.677 16.792 ( 0.000 -1.052 4.794) 4.908 16.792 ( 0.000 1.052 4.794) 4.908 16.972 ( 0.000 -0.135 57.396) 57.396 16.972 ( 0.000 0.135 57.396) 57.396 19.704 ( 0.000 -0.432 -1.987) 2.033 19.704 ( 0.000 0.432 -1.987) 2.033 24.136 ( 0.000 -2.003 -8.201) 8.442 24.136 ( 0.000 2.003 -8.201) 8.442 ======================= Grid point 110 (37/90) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.000 0.000 26.766) 26.766 1.073 ( 0.000 0.000 24.603) 24.603 1.486 ( 0.000 0.000 14.112) 14.112 1.728 ( 0.000 0.000 21.408) 21.408 1.736 ( 0.000 0.000 4.631) 4.631 1.941 ( 0.000 0.000 2.951) 2.951 2.091 ( 0.000 0.000 11.077) 11.077 2.286 ( 0.000 0.000 3.753) 3.753 2.432 ( 0.000 0.000 3.946) 3.946 2.490 ( 0.000 0.000 5.406) 5.406 2.571 ( 0.000 0.000 24.215) 24.215 2.753 ( 0.000 0.000 -2.910) 2.910 2.865 ( 0.000 0.000 13.074) 13.074 2.885 ( 0.000 0.000 -0.923) 0.923 3.064 ( 0.000 0.000 -3.993) 3.993 3.132 ( 0.000 0.000 8.566) 8.566 3.152 ( 0.000 0.000 -1.080) 1.080 3.223 ( 0.000 0.000 1.100) 1.100 3.280 ( 0.000 0.000 0.402) 0.402 3.301 ( 0.000 0.000 10.074) 10.074 3.439 ( 0.000 0.000 27.806) 27.806 3.744 ( 0.000 0.000 -2.435) 2.435 3.822 ( 0.000 0.000 23.705) 23.705 3.827 ( 0.000 0.000 -5.096) 5.096 4.149 ( 0.000 0.000 4.028) 4.028 4.374 ( 0.000 0.000 0.049) 0.049 4.536 ( 0.000 0.000 -0.801) 0.801 4.678 ( 0.000 0.000 9.416) 9.416 4.941 ( 0.000 0.000 8.885) 8.885 5.110 ( 0.000 0.000 -6.452) 6.452 5.124 ( 0.000 0.000 -0.997) 0.997 5.356 ( 0.000 0.000 1.600) 1.600 5.405 ( 0.000 0.000 3.178) 3.178 5.537 ( 0.000 0.000 12.942) 12.942 5.791 ( 0.000 0.000 -9.738) 9.738 5.835 ( 0.000 0.000 -0.860) 0.860 5.853 ( 0.000 0.000 20.174) 20.174 5.894 ( 0.000 0.000 16.469) 16.469 6.213 ( 0.000 0.000 -9.492) 9.492 6.444 ( 0.000 0.000 -9.695) 9.695 6.847 ( 0.000 0.000 -3.432) 3.432 6.987 ( 0.000 0.000 -1.546) 1.546 7.680 ( 0.000 0.000 6.329) 6.329 7.796 ( 0.000 0.000 7.363) 7.363 7.812 ( 0.000 0.000 4.256) 4.256 7.910 ( 0.000 0.000 -3.218) 3.218 8.262 ( 0.000 0.000 -2.806) 2.806 8.336 ( 0.000 0.000 3.753) 3.753 8.535 ( 0.000 0.000 7.492) 7.492 8.581 ( 0.000 0.000 -4.454) 4.454 8.966 ( 0.000 0.000 2.679) 2.679 9.179 ( 0.000 0.000 -5.188) 5.188 9.197 ( 0.000 0.000 -4.580) 4.580 9.553 ( 0.000 0.000 -5.567) 5.567 9.630 ( 0.000 0.000 5.152) 5.152 9.917 ( 0.000 0.000 -1.576) 1.576 10.170 ( 0.000 0.000 2.484) 2.484 10.399 ( 0.000 0.000 -2.045) 2.045 10.902 ( 0.000 0.000 -16.742) 16.742 10.907 ( 0.000 0.000 -17.437) 17.437 11.248 ( 0.000 0.000 6.040) 6.040 11.781 ( 0.000 0.000 -4.001) 4.001 11.825 ( 0.000 0.000 5.941) 5.941 12.031 ( 0.000 0.000 -3.551) 3.551 12.046 ( 0.000 0.000 -3.250) 3.250 12.311 ( 0.000 0.000 -8.896) 8.896 12.508 ( 0.000 0.000 -0.628) 0.628 12.549 ( 0.000 0.000 7.178) 7.178 13.946 ( 0.000 0.000 2.872) 2.872 14.243 ( 0.000 0.000 -12.121) 12.121 14.501 ( 0.000 0.000 -17.130) 17.130 15.141 ( 0.000 0.000 6.953) 6.953 15.636 ( 0.000 0.000 5.115) 5.115 15.738 ( 0.000 0.000 -2.322) 2.322 15.848 ( 0.000 0.000 5.382) 5.382 16.360 ( 0.000 0.000 -32.939) 32.939 16.692 ( 0.000 0.000 9.413) 9.413 17.279 ( 0.000 0.000 -4.699) 4.699 17.436 ( 0.000 0.000 0.093) 0.093 18.165 ( 0.000 0.000 4.409) 4.409 19.989 ( 0.000 0.000 88.486) 88.486 22.934 ( 0.000 0.000 9.603) 9.603 23.943 ( 0.000 0.000 -12.439) 12.439 24.408 ( 0.000 0.000 -35.383) 35.383 ======================= Grid point 111 (38/90) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 2.481 0.000 22.601) 22.737 1.159 ( 8.321 0.000 21.651) 23.195 1.576 ( 5.208 0.000 8.935) 10.342 1.772 ( 3.480 0.000 4.642) 5.802 1.792 ( 7.016 0.000 20.750) 21.904 1.874 ( -6.305 0.000 3.651) 7.286 2.099 ( 0.693 0.000 10.655) 10.677 2.254 ( -2.302 0.000 3.051) 3.823 2.346 ( -7.898 0.000 9.004) 11.977 2.417 ( -2.101 0.000 2.262) 3.087 2.611 ( 1.889 0.000 21.795) 21.877 2.735 ( -1.784 0.000 -3.307) 3.757 2.798 ( -1.402 0.000 14.730) 14.797 3.027 ( -2.280 0.000 -0.301) 2.300 3.052 ( 7.967 0.000 -5.416) 9.633 3.116 ( -2.009 0.000 3.883) 4.372 3.164 ( 0.538 0.000 4.327) 4.361 3.226 ( 1.359 0.000 6.837) 6.970 3.299 ( 0.427 0.000 -3.495) 3.521 3.367 ( 6.168 0.000 5.591) 8.325 3.455 ( 1.099 0.000 26.383) 26.406 3.735 ( 0.384 0.000 -1.653) 1.697 3.805 ( -2.222 0.000 -3.240) 3.929 3.829 ( 0.748 0.000 22.269) 22.281 4.163 ( 1.328 0.000 2.240) 2.604 4.372 ( -0.114 0.000 0.177) 0.211 4.493 ( -3.297 0.000 0.350) 3.316 4.690 ( -0.159 0.000 6.966) 6.967 4.927 ( -1.389 0.000 7.342) 7.472 5.068 ( -2.759 0.000 -5.428) 6.089 5.122 ( -1.481 0.000 -1.654) 2.220 5.416 ( 4.724 0.000 3.079) 5.639 5.459 ( 6.393 0.000 1.070) 6.482 5.502 ( -3.545 0.000 13.348) 13.811 5.762 ( -2.657 0.000 -8.525) 8.929 5.812 ( -2.234 0.000 -2.321) 3.221 5.828 ( -2.091 0.000 18.359) 18.478 5.896 ( -0.063 0.000 18.477) 18.477 6.219 ( 0.683 0.000 -8.807) 8.833 6.468 ( 2.145 0.000 -9.613) 9.849 6.822 ( -2.313 0.000 -2.584) 3.468 6.966 ( -2.184 0.000 -1.937) 2.920 7.675 ( -0.470 0.000 6.958) 6.974 7.752 ( -3.410 0.000 5.769) 6.702 7.842 ( 2.968 0.000 5.182) 5.972 7.956 ( 3.586 0.000 -2.048) 4.129 8.239 ( -1.069 0.000 -0.065) 1.071 8.406 ( 5.654 0.000 1.746) 5.918 8.522 ( -1.367 0.000 7.043) 7.175 8.553 ( -2.694 0.000 -3.575) 4.476 8.977 ( 1.028 0.000 3.310) 3.466 9.177 ( -0.232 0.000 -5.801) 5.806 9.212 ( 1.339 0.000 -5.314) 5.480 9.527 ( -1.877 0.000 -2.379) 3.030 9.663 ( 2.578 0.000 1.808) 3.149 9.908 ( -1.045 0.000 -1.208) 1.597 10.082 ( -7.954 0.000 6.605) 10.339 10.385 ( -1.899 0.000 -2.095) 2.827 10.879 ( -1.671 0.000 -16.530) 16.614 10.911 ( -0.166 0.000 -17.319) 17.320 11.237 ( -0.994 0.000 5.172) 5.267 11.755 ( -2.764 0.000 -2.113) 3.479 11.853 ( 2.662 0.000 6.896) 7.392 11.995 ( -2.385 0.000 -4.275) 4.895 12.021 ( -2.374 0.000 -2.631) 3.543 12.378 ( -5.330 0.000 7.181) 8.943 12.427 ( 10.452 0.000 -8.804) 13.666 12.726 ( 10.370 0.000 1.844) 10.533 13.916 ( -3.027 0.000 2.384) 3.853 14.244 ( 0.180 0.000 -13.817) 13.818 14.461 ( -3.862 0.000 -17.162) 17.591 14.963 ( -15.832 0.000 5.583) 16.788 15.616 ( -0.743 0.000 4.560) 4.620 15.707 ( -1.941 0.000 -2.140) 2.889 15.961 ( 9.590 0.000 7.521) 12.188 16.362 ( -2.182 0.000 -27.465) 27.552 16.691 ( 0.064 0.000 9.055) 9.055 17.377 ( 9.793 0.000 -3.309) 10.337 17.479 ( 4.259 0.000 1.897) 4.663 18.023 ( -14.095 0.000 4.735) 14.870 19.946 ( -4.166 0.000 84.051) 84.154 22.375 ( -48.766 0.000 31.909) 58.278 23.934 ( -0.892 0.000 -12.572) 12.604 24.350 ( -5.646 0.000 -32.822) 33.304 ======================= Grid point 112 (39/90) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 7.311 0.000 10.555) 12.839 1.363 ( 11.406 0.000 14.931) 18.789 1.571 ( -5.350 0.000 3.201) 6.235 1.725 ( -6.971 0.000 6.370) 9.443 1.871 ( 5.732 0.000 2.611) 6.299 1.966 ( 8.274 0.000 14.864) 17.012 2.119 ( 1.726 0.000 9.762) 9.914 2.225 ( -0.211 0.000 1.530) 1.544 2.294 ( 1.851 0.000 9.974) 10.144 2.338 ( -5.961 0.000 -1.163) 6.074 2.629 ( -0.086 0.000 17.572) 17.572 2.687 ( -3.088 0.000 -2.954) 4.273 2.816 ( 3.067 0.000 20.062) 20.295 2.976 ( -2.979 0.000 4.108) 5.074 3.113 ( 2.809 0.000 5.626) 6.288 3.166 ( 4.672 0.000 -6.516) 8.018 3.166 ( 0.203 0.000 1.942) 1.953 3.238 ( -7.045 0.000 -10.028) 12.255 3.257 ( 1.390 0.000 7.738) 7.862 3.492 ( 3.541 0.000 25.718) 25.960 3.505 ( 7.077 0.000 3.429) 7.864 3.750 ( -3.136 0.000 0.167) 3.141 3.777 ( 2.458 0.000 4.624) 5.237 3.861 ( 3.006 0.000 14.366) 14.677 4.193 ( 1.469 0.000 -0.860) 1.702 4.368 ( -0.615 0.000 -1.917) 2.013 4.432 ( -2.700 0.000 1.919) 3.313 4.655 ( -3.122 0.000 4.687) 5.631 4.885 ( -2.996 0.000 1.835) 3.513 5.018 ( -2.367 0.000 -6.542) 6.957 5.073 ( -2.848 0.000 2.232) 3.618 5.404 ( -6.264 0.000 13.319) 14.718 5.509 ( 4.811 0.000 3.357) 5.866 5.630 ( 8.791 0.000 -0.220) 8.794 5.703 ( -3.064 0.000 -6.314) 7.018 5.756 ( -3.372 0.000 -3.879) 5.140 5.793 ( -0.339 0.000 15.726) 15.730 5.889 ( -0.476 0.000 20.077) 20.083 6.245 ( 2.096 0.000 -7.695) 7.976 6.509 ( 1.646 0.000 -9.083) 9.231 6.768 ( -2.954 0.000 -0.583) 3.011 6.907 ( -3.624 0.000 -2.675) 4.504 7.665 ( -0.530 0.000 8.825) 8.841 7.687 ( -3.067 0.000 5.219) 6.054 7.917 ( 4.406 0.000 6.702) 8.021 8.024 ( 2.987 0.000 -2.655) 3.996 8.240 ( 1.448 0.000 2.010) 2.477 8.472 ( -3.987 0.000 -0.508) 4.019 8.499 ( -2.271 0.000 5.267) 5.735 8.528 ( 6.523 0.000 1.294) 6.650 9.002 ( 1.409 0.000 5.141) 5.330 9.167 ( -0.861 0.000 -7.396) 7.446 9.242 ( 1.575 0.000 -6.979) 7.154 9.498 ( -0.884 0.000 -0.273) 0.925 9.715 ( 2.566 0.000 -0.791) 2.685 9.851 ( -6.409 0.000 8.915) 10.980 9.933 ( -4.570 0.000 5.342) 7.030 10.320 ( -4.553 0.000 -1.599) 4.825 10.843 ( -1.917 0.000 -15.888) 16.003 10.900 ( -0.856 0.000 -17.603) 17.624 11.216 ( -0.954 0.000 3.535) 3.661 11.676 ( -5.038 0.000 2.963) 5.845 11.917 ( 3.594 0.000 7.499) 8.316 11.963 ( -0.757 0.000 -3.818) 3.892 11.973 ( -1.978 0.000 -1.939) 2.770 12.324 ( -0.560 0.000 9.836) 9.852 12.679 ( 14.907 0.000 -9.243) 17.540 12.926 ( 9.962 0.000 2.253) 10.214 13.837 ( -4.788 0.000 1.555) 5.034 14.254 ( 0.846 0.000 -16.893) 16.914 14.364 ( -5.791 0.000 -17.245) 18.191 14.650 ( -14.058 0.000 -0.231) 14.060 15.621 ( 1.007 0.000 4.974) 5.075 15.664 ( -2.893 0.000 -0.394) 2.920 16.160 ( 9.495 0.000 11.289) 14.751 16.236 ( -10.169 0.000 -20.417) 22.809 16.706 ( 1.753 0.000 8.142) 8.328 17.590 ( 6.750 0.000 7.630) 10.187 17.622 ( 13.996 0.000 2.838) 14.281 17.653 ( -22.605 0.000 5.419) 23.245 19.845 ( -5.649 0.000 71.875) 72.097 21.399 ( -45.834 0.000 49.052) 67.133 23.911 ( -1.411 0.000 -12.937) 13.014 24.212 ( -7.796 0.000 -27.031) 28.133 ======================= Grid point 113 (40/90) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 10.026 0.000 -2.968) 10.456 1.428 ( -7.650 0.000 -0.420) 7.661 1.500 ( -0.134 0.000 6.883) 6.884 1.705 ( 7.795 0.000 7.170) 10.591 1.978 ( 4.398 0.000 -0.202) 4.403 2.060 ( 1.735 0.000 7.381) 7.582 2.160 ( 1.752 0.000 8.959) 9.129 2.193 ( -7.713 0.000 -1.633) 7.884 2.256 ( 2.954 0.000 0.669) 3.029 2.343 ( 2.093 0.000 9.501) 9.728 2.609 ( -5.110 0.000 -2.057) 5.509 2.621 ( -0.981 0.000 16.076) 16.105 2.856 ( -0.781 0.000 12.865) 12.888 2.924 ( -2.054 0.000 8.368) 8.616 3.056 ( -7.956 0.000 -4.273) 9.031 3.169 ( -0.013 0.000 -1.549) 1.549 3.245 ( 8.988 0.000 7.087) 11.446 3.277 ( 0.673 0.000 8.800) 8.826 3.306 ( 9.784 0.000 -5.164) 11.063 3.586 ( 5.844 0.000 20.914) 21.715 3.609 ( 2.330 0.000 2.942) 3.753 3.706 ( 0.063 0.000 1.465) 1.466 3.797 ( -0.130 0.000 12.631) 12.632 3.937 ( 4.019 0.000 5.885) 7.127 4.207 ( -0.365 0.000 -3.249) 3.269 4.334 ( -2.539 0.000 -4.127) 4.845 4.392 ( -1.840 0.000 2.287) 2.935 4.589 ( -3.266 0.000 2.636) 4.197 4.822 ( -2.885 0.000 -4.729) 5.540 4.976 ( -1.936 0.000 -5.535) 5.864 5.029 ( -1.659 0.000 4.753) 5.034 5.273 ( -6.640 0.000 12.336) 14.010 5.591 ( 3.246 0.000 3.663) 4.894 5.651 ( -2.234 0.000 -4.061) 4.635 5.690 ( -3.156 0.000 -3.702) 4.864 5.692 ( -0.945 0.000 11.889) 11.927 5.879 ( 2.445 0.000 16.715) 16.893 5.893 ( 5.620 0.000 3.162) 6.448 6.296 ( 2.853 0.000 -7.236) 7.778 6.526 ( 0.107 0.000 -8.101) 8.101 6.715 ( -2.407 0.000 2.367) 3.376 6.836 ( -3.391 0.000 -3.454) 4.840 7.637 ( -2.001 0.000 5.103) 5.481 7.656 ( -0.335 0.000 10.863) 10.868 8.001 ( 4.020 0.000 7.351) 8.378 8.061 ( 0.878 0.000 -2.938) 3.066 8.297 ( 4.068 0.000 2.465) 4.756 8.387 ( -4.392 0.000 -1.310) 4.583 8.460 ( -1.743 0.000 8.305) 8.486 8.645 ( 5.168 0.000 1.122) 5.289 9.031 ( 1.526 0.000 7.604) 7.756 9.144 ( -1.368 0.000 -8.684) 8.791 9.268 ( 1.031 0.000 -8.924) 8.983 9.494 ( 0.437 0.000 0.608) 0.748 9.706 ( -6.705 0.000 21.665) 22.679 9.757 ( 1.661 0.000 -2.633) 3.114 9.889 ( -1.297 0.000 0.559) 1.413 10.220 ( -5.401 0.000 -1.930) 5.736 10.809 ( -1.494 0.000 -15.381) 15.453 10.881 ( -0.985 0.000 -18.410) 18.437 11.204 ( -0.289 0.000 1.906) 1.927 11.576 ( -4.781 0.000 6.965) 8.448 11.948 ( -0.150 0.000 -6.992) 6.993 11.949 ( -0.646 0.000 -2.968) 3.037 11.995 ( 3.351 0.000 12.174) 12.626 12.340 ( 1.842 0.000 11.549) 11.695 12.991 ( 16.677 0.000 -10.334) 19.619 13.105 ( 8.200 0.000 2.935) 8.709 13.740 ( -4.855 0.000 1.126) 4.984 14.247 ( -6.017 0.000 -16.514) 17.576 14.276 ( 1.396 0.000 -18.864) 18.915 14.454 ( -6.182 0.000 -8.670) 10.648 15.595 ( -3.822 0.000 -0.227) 3.828 15.646 ( 1.574 0.000 6.117) 6.317 16.000 ( -13.220 0.000 -15.348) 20.257 16.268 ( -0.204 0.000 14.979) 14.981 16.768 ( 4.621 0.000 7.463) 8.777 17.222 ( -19.115 0.000 5.814) 19.980 17.722 ( 6.320 0.000 16.099) 17.295 17.880 ( 11.723 0.000 14.416) 18.581 19.751 ( -3.482 0.000 54.403) 54.514 20.670 ( -29.216 0.000 43.989) 52.807 23.883 ( -1.329 0.000 -13.466) 13.531 24.068 ( -6.564 0.000 -21.282) 22.272 ======================= Grid point 114 (41/90) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -5.603 0.000 -1.730) 5.864 1.478 ( -0.305 0.000 6.191) 6.199 1.508 ( 11.082 0.000 -13.536) 17.494 1.893 ( 7.862 0.000 1.081) 7.936 1.976 ( -3.775 0.000 -12.372) 12.935 2.062 ( -1.050 0.000 2.733) 2.928 2.113 ( 0.579 0.000 6.645) 6.670 2.171 ( -0.661 0.000 7.220) 7.250 2.330 ( 3.466 0.000 2.832) 4.476 2.370 ( 0.807 0.000 8.978) 9.015 2.496 ( -5.734 0.000 -0.367) 5.746 2.554 ( -5.927 0.000 6.370) 8.701 2.803 ( -2.109 0.000 1.900) 2.839 2.897 ( -0.903 0.000 10.805) 10.843 2.969 ( -1.845 0.000 14.708) 14.823 3.165 ( -0.281 0.000 -4.592) 4.601 3.285 ( 0.231 0.000 10.302) 10.304 3.420 ( 7.350 0.000 6.179) 9.602 3.506 ( 9.388 0.000 0.454) 9.399 3.596 ( -1.738 0.000 5.860) 6.113 3.704 ( 5.329 0.000 13.826) 14.817 3.760 ( 3.533 0.000 -1.739) 3.938 3.781 ( -1.298 0.000 14.109) 14.169 4.004 ( 2.978 0.000 5.794) 6.514 4.175 ( -2.507 0.000 -4.884) 5.490 4.293 ( -1.406 0.000 -3.877) 4.124 4.341 ( -3.345 0.000 0.503) 3.383 4.536 ( -1.988 0.000 0.750) 2.125 4.793 ( 0.015 0.000 -7.002) 7.002 4.936 ( -2.391 0.000 -7.067) 7.460 5.005 ( -0.787 0.000 6.704) 6.750 5.168 ( -3.765 0.000 11.133) 11.752 5.615 ( -1.458 0.000 -2.477) 2.875 5.631 ( 1.045 0.000 6.085) 6.174 5.644 ( -1.439 0.000 -2.665) 3.029 5.668 ( -1.117 0.000 14.120) 14.164 5.890 ( 0.573 0.000 17.213) 17.222 6.016 ( 4.473 0.000 -5.788) 7.315 6.348 ( 2.247 0.000 -7.586) 7.912 6.517 ( -0.775 0.000 -6.983) 7.026 6.679 ( -1.237 0.000 5.618) 5.753 6.784 ( -1.789 0.000 -3.872) 4.266 7.609 ( -0.920 0.000 5.099) 5.182 7.651 ( -0.145 0.000 12.200) 12.201 8.065 ( 2.339 0.000 6.629) 7.029 8.068 ( 0.028 0.000 -2.494) 2.494 8.312 ( -2.984 0.000 -0.529) 3.030 8.376 ( 3.480 0.000 1.883) 3.956 8.434 ( -0.847 0.000 10.248) 10.283 8.719 ( 2.355 0.000 0.339) 2.379 9.058 ( 1.157 0.000 9.666) 9.735 9.122 ( -0.701 0.000 -8.784) 8.812 9.281 ( 0.329 0.000 -10.464) 10.469 9.508 ( 0.751 0.000 1.007) 1.256 9.610 ( -3.180 0.000 26.298) 26.490 9.778 ( 0.566 0.000 -4.066) 4.105 9.873 ( -0.289 0.000 2.074) 2.094 10.124 ( -4.030 0.000 -4.050) 5.713 10.786 ( -0.765 0.000 -15.077) 15.097 10.865 ( -0.601 0.000 -19.353) 19.362 11.203 ( 0.132 0.000 0.388) 0.410 11.501 ( -2.750 0.000 8.167) 8.618 11.942 ( -0.175 0.000 -4.165) 4.168 11.944 ( -0.214 0.000 -6.045) 6.049 12.050 ( 2.126 0.000 12.898) 13.072 12.380 ( 1.857 0.000 13.198) 13.328 13.234 ( 4.808 0.000 2.743) 5.536 13.299 ( 13.739 0.000 -13.276) 19.106 13.660 ( -3.106 0.000 1.117) 3.300 14.133 ( -5.504 0.000 -13.509) 14.588 14.305 ( 1.400 0.000 -19.805) 19.854 14.387 ( -1.456 0.000 -14.170) 14.244 15.542 ( -0.915 0.000 -2.706) 2.857 15.699 ( 4.553 0.000 7.939) 9.152 15.754 ( -11.284 0.000 -10.840) 15.647 16.119 ( -13.458 0.000 14.517) 19.796 16.865 ( 4.514 0.000 8.188) 9.350 16.985 ( -5.574 0.000 7.096) 9.024 17.821 ( 3.615 0.000 23.668) 23.943 18.057 ( 6.219 0.000 27.447) 28.143 19.724 ( 0.679 0.000 35.747) 35.754 20.237 ( -15.743 0.000 36.419) 39.676 23.863 ( -0.685 0.000 -14.112) 14.128 23.967 ( -3.680 0.000 -17.326) 17.712 ======================= Grid point 115 (42/90) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 0.000 -2.191) 2.191 1.482 ( 0.000 0.000 6.982) 6.982 1.645 ( 0.000 0.000 -18.417) 18.417 1.887 ( 0.000 0.000 -11.541) 11.541 2.022 ( -0.000 0.000 -6.662) 6.662 2.042 ( 0.000 0.000 3.116) 3.116 2.126 ( 0.000 0.000 6.826) 6.826 2.155 ( 0.000 0.000 3.942) 3.942 2.353 ( 0.000 0.000 5.269) 5.269 2.378 ( 0.000 0.000 8.119) 8.119 2.439 ( -0.000 0.000 0.838) 0.838 2.476 ( 0.000 0.000 1.883) 1.883 2.789 ( 0.000 0.000 5.493) 5.493 2.887 ( 0.000 0.000 11.634) 11.634 2.952 ( -0.000 0.000 17.886) 17.886 3.162 ( 0.000 0.000 -5.810) 5.810 3.287 ( 0.000 0.000 10.961) 10.961 3.496 ( 0.000 0.000 5.702) 5.702 3.576 ( 0.000 0.000 6.678) 6.678 3.614 ( 0.000 0.000 3.274) 3.274 3.756 ( 0.000 0.000 7.519) 7.519 3.761 ( 0.000 0.000 16.714) 16.714 3.800 ( 0.000 0.000 -2.904) 2.904 4.045 ( 0.000 0.000 6.981) 6.981 4.142 ( -0.000 0.000 -5.424) 5.424 4.278 ( 0.000 0.000 -8.352) 8.352 4.297 ( 0.000 0.000 3.980) 3.980 4.516 ( 0.000 0.000 -0.101) 0.101 4.803 ( 0.000 0.000 -7.522) 7.522 4.902 ( 0.000 0.000 -7.175) 7.175 4.999 ( 0.000 0.000 7.157) 7.157 5.132 ( 0.000 0.000 10.191) 10.191 5.600 ( 0.000 0.000 -2.004) 2.004 5.631 ( 0.000 0.000 -2.044) 2.044 5.641 ( -0.000 0.000 7.244) 7.244 5.655 ( 0.000 0.000 14.755) 14.755 5.897 ( 0.000 0.000 15.304) 15.304 6.059 ( 0.000 0.000 -7.435) 7.435 6.372 ( 0.000 0.000 -8.052) 8.052 6.507 ( 0.000 0.000 -6.313) 6.313 6.667 ( 0.000 0.000 7.023) 7.023 6.767 ( 0.000 0.000 -3.828) 3.828 7.600 ( 0.000 0.000 5.119) 5.119 7.650 ( 0.000 0.000 12.646) 12.646 8.067 ( 0.000 0.000 -2.309) 2.309 8.088 ( 0.000 0.000 5.938) 5.938 8.281 ( 0.000 0.000 -0.197) 0.197 8.413 ( 0.000 0.000 1.677) 1.677 8.426 ( 0.000 0.000 11.281) 11.281 8.740 ( 0.000 0.000 -0.386) 0.386 9.070 ( 0.000 0.000 10.454) 10.454 9.116 ( 0.000 0.000 -8.404) 8.404 9.283 ( 0.000 0.000 -11.075) 11.075 9.516 ( 0.000 0.000 1.206) 1.206 9.579 ( 0.000 0.000 27.740) 27.740 9.783 ( 0.000 0.000 -4.695) 4.695 9.873 ( -0.000 0.000 3.785) 3.785 10.081 ( 0.000 0.000 -5.978) 5.978 10.779 ( 0.000 0.000 -14.972) 14.972 10.859 ( 0.000 0.000 -19.767) 19.767 11.205 ( -0.000 0.000 -0.310) 0.310 11.474 ( 0.000 0.000 8.269) 8.269 11.940 ( 0.000 0.000 -4.630) 4.630 11.942 ( 0.000 0.000 -5.421) 5.421 12.072 ( 0.000 0.000 13.070) 13.070 12.400 ( 0.000 0.000 13.902) 13.902 13.282 ( 0.000 0.000 2.419) 2.419 13.453 ( 0.000 0.000 -16.571) 16.571 13.629 ( 0.000 0.000 1.273) 1.273 14.066 ( 0.000 0.000 -10.188) 10.188 14.321 ( 0.000 0.000 -20.451) 20.451 14.375 ( 0.000 0.000 -15.342) 15.342 15.571 ( 0.000 0.000 -8.353) 8.353 15.598 ( -0.000 0.000 -4.816) 4.816 15.825 ( -0.000 0.000 10.724) 10.724 15.882 ( 0.000 0.000 11.337) 11.337 16.922 ( 0.000 0.000 9.767) 9.767 16.933 ( 0.000 0.000 7.110) 7.110 17.857 ( 0.000 0.000 26.701) 26.701 18.118 ( 0.000 0.000 33.451) 33.451 19.745 ( 0.000 0.000 25.129) 25.129 20.072 ( 0.000 0.000 35.796) 35.796 23.857 ( 0.000 0.000 -14.568) 14.568 23.930 ( 0.000 0.000 -15.778) 15.778 ======================= Grid point 121 (43/90) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 7.618 24.183) 25.355 1.190 ( 0.000 11.522 20.877) 23.845 1.416 ( 0.000 -7.786 14.214) 16.207 1.656 ( 0.000 -8.706 8.317) 12.041 1.871 ( 0.000 12.981 13.604) 18.804 1.995 ( 0.000 7.399 6.962) 10.159 2.057 ( 0.000 -3.161 7.671) 8.297 2.315 ( 0.000 3.818 3.141) 4.944 2.398 ( 0.000 -3.839 4.267) 5.740 2.535 ( 0.000 4.343 6.087) 7.478 2.599 ( 0.000 2.801 21.443) 21.625 2.683 ( 0.000 -6.431 -3.503) 7.323 2.803 ( 0.000 -5.691 16.010) 16.991 2.909 ( 0.000 -1.889 -0.596) 1.980 2.992 ( 0.000 -14.565 8.302) 16.765 3.051 ( 0.000 -1.072 -0.008) 1.072 3.110 ( 0.000 -3.415 1.870) 3.894 3.138 ( 0.000 -3.420 7.378) 8.132 3.283 ( 0.000 1.397 2.215) 2.618 3.323 ( 0.000 1.058 6.617) 6.701 3.478 ( 0.000 4.051 23.170) 23.521 3.653 ( 0.000 -4.006 9.412) 10.229 3.873 ( 0.000 6.868 11.556) 13.443 4.039 ( 0.000 12.107 -6.127) 13.569 4.120 ( 0.000 -2.885 1.345) 3.183 4.396 ( 0.000 -6.481 0.233) 6.485 4.451 ( 0.000 1.397 1.978) 2.422 4.633 ( 0.000 -4.428 7.964) 9.112 5.050 ( 0.000 7.399 0.017) 7.399 5.121 ( 0.000 0.861 -6.431) 6.488 5.164 ( 0.000 5.217 5.087) 7.287 5.380 ( 0.000 2.290 2.147) 3.139 5.393 ( 0.000 -1.846 3.048) 3.564 5.492 ( 0.000 -4.103 12.859) 13.498 5.780 ( 0.000 -0.878 -7.810) 7.859 5.796 ( 0.000 -1.938 0.192) 1.948 5.906 ( 0.000 2.862 15.859) 16.115 5.912 ( 0.000 1.566 15.572) 15.650 6.235 ( 0.000 2.426 -9.340) 9.650 6.394 ( 0.000 -4.705 -9.119) 10.261 6.874 ( 0.000 2.520 -3.121) 4.011 6.970 ( 0.000 -1.860 -1.598) 2.453 7.639 ( 0.000 -2.904 6.306) 6.943 7.664 ( 0.000 -5.288 6.202) 8.150 7.982 ( 0.000 6.287 -4.039) 7.473 7.999 ( 0.000 10.406 3.263) 10.906 8.232 ( 0.000 -3.048 -2.102) 3.703 8.303 ( 0.000 -3.467 3.302) 4.788 8.566 ( 0.000 3.074 6.215) 6.934 8.594 ( 0.000 1.143 -3.176) 3.375 8.941 ( 0.000 -0.471 3.429) 3.461 9.172 ( 0.000 -3.331 -3.696) 4.976 9.200 ( 0.000 1.886 -2.874) 3.438 9.447 ( 0.000 -15.280 9.743) 18.122 9.634 ( 0.000 7.651 -4.325) 8.789 9.891 ( 0.000 -3.710 -1.567) 4.027 10.241 ( 0.000 5.686 -0.409) 5.701 10.382 ( 0.000 -1.834 -2.246) 2.900 10.902 ( 0.000 0.022 -16.918) 16.918 10.905 ( 0.000 -0.121 -17.417) 17.418 11.305 ( 0.000 6.128 6.336) 8.815 11.659 ( 0.000 -9.993 2.111) 10.213 11.870 ( 0.000 2.256 1.941) 2.976 11.962 ( 0.000 -3.468 -1.536) 3.793 12.140 ( 0.000 6.257 -4.487) 7.700 12.329 ( 0.000 1.173 -10.678) 10.742 12.462 ( 0.000 -7.111 9.576) 11.928 12.483 ( 0.000 -2.597 -0.019) 2.597 14.003 ( 0.000 5.264 -1.164) 5.391 14.197 ( 0.000 -4.222 -10.702) 11.505 14.613 ( 0.000 11.102 -15.432) 19.010 15.097 ( 0.000 -7.059 3.199) 7.750 15.569 ( 0.000 -3.945 0.024) 3.945 15.676 ( 0.000 -5.155 -0.099) 5.156 15.902 ( 0.000 4.454 2.045) 4.901 16.139 ( 0.000 -11.298 -13.052) 17.263 17.082 ( 0.000 27.773 -0.460) 27.777 17.307 ( 0.000 3.375 -4.409) 5.553 17.411 ( 0.000 -2.606 -0.494) 2.652 17.998 ( 0.000 -16.871 4.545) 17.473 20.278 ( 0.000 30.466 85.969) 91.207 22.172 ( 0.000 -62.814 45.803) 77.740 24.193 ( 0.000 14.241 -26.529) 30.109 24.401 ( 0.000 -0.992 -34.847) 34.861 ======================= Grid point 122 (44/90) ======================= q-point: ( 0.10 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 1.831 8.006 20.987) 22.537 1.263 ( 6.994 10.210 18.982) 22.660 1.470 ( 3.230 -9.463 11.423) 15.181 1.700 ( 4.371 -7.889 7.919) 12.002 1.885 ( -0.847 6.464 6.139) 8.955 1.996 ( 2.569 13.417 11.772) 18.033 2.060 ( 0.303 -3.655 7.520) 8.367 2.265 ( -4.350 2.662 1.748) 5.391 2.335 ( -4.734 -2.100 5.560) 7.599 2.477 ( -2.981 6.167 7.299) 10.010 2.623 ( 1.207 1.608 18.604) 18.712 2.657 ( -2.013 -6.921 -1.041) 7.283 2.800 ( -0.220 -2.634 14.420) 14.660 2.955 ( -1.282 -11.921 8.820) 14.885 3.009 ( 5.959 -3.922 -1.798) 7.357 3.083 ( 0.387 -2.078 -1.041) 2.356 3.113 ( -1.417 -4.249 6.747) 8.098 3.139 ( 3.764 -3.553 4.507) 6.863 3.296 ( 1.027 2.527 1.413) 3.072 3.383 ( 5.167 0.338 3.525) 6.264 3.487 ( 1.008 4.244 23.694) 24.093 3.675 ( 2.185 -3.995 9.521) 10.554 3.880 ( 0.915 6.808 10.708) 12.722 3.994 ( -4.057 11.592 -4.337) 13.025 4.131 ( 0.925 -2.961 -0.318) 3.119 4.371 ( -2.541 -9.089 -0.114) 9.438 4.439 ( -0.659 4.193 2.747) 5.056 4.635 ( -0.388 -4.732 6.574) 8.110 5.029 ( -2.220 6.519 -1.208) 6.992 5.085 ( -3.224 1.270 -6.307) 7.196 5.156 ( -1.379 4.880 5.733) 7.654 5.418 ( 0.821 -4.078 6.982) 8.127 5.428 ( 3.925 0.466 3.540) 5.306 5.484 ( 1.844 -1.321 6.706) 7.079 5.754 ( -2.220 -0.449 -5.786) 6.213 5.781 ( -1.718 -1.522 -2.067) 3.088 5.880 ( -2.115 3.052 14.430) 14.900 5.909 ( -0.614 1.034 17.711) 17.752 6.247 ( 1.308 3.079 -8.759) 9.376 6.420 ( 2.284 -4.665 -9.028) 10.416 6.849 ( -2.394 2.490 -2.515) 4.273 6.947 ( -2.269 -1.966 -1.820) 3.511 7.630 ( -0.456 -2.313 6.731) 7.131 7.692 ( 2.156 -5.181 6.978) 8.955 7.912 ( -3.563 7.245 0.674) 8.102 8.064 ( 2.706 6.276 -2.108) 7.152 8.213 ( 0.050 -1.231 1.640) 2.051 8.370 ( 5.130 -3.618 0.735) 6.321 8.558 ( -0.706 3.221 6.451) 7.245 8.571 ( -2.179 1.697 -2.671) 3.842 8.950 ( 0.830 -0.628 3.686) 3.830 9.175 ( 0.160 -2.845 -3.940) 4.862 9.211 ( 1.049 1.352 -3.456) 3.856 9.442 ( -0.514 -13.528 9.304) 16.427 9.638 ( 0.433 5.793 -3.420) 6.741 9.876 ( -1.494 -3.847 -0.861) 4.216 10.178 ( -5.609 7.315 1.678) 9.370 10.361 ( -2.429 -2.545 -2.078) 4.086 10.885 ( -1.252 0.602 -16.812) 16.869 10.907 ( -0.229 -0.373 -17.411) 17.417 11.288 ( -1.458 5.652 5.875) 8.282 11.634 ( -2.510 -10.284 3.302) 11.089 11.890 ( 1.867 2.115 2.402) 3.706 11.958 ( -0.294 -2.081 -3.145) 3.783 12.086 ( -3.625 5.048 -1.834) 6.480 12.310 ( -4.228 -5.894 2.167) 7.570 12.473 ( 9.493 3.803 -3.248) 10.730 12.662 ( 10.438 -5.670 1.175) 11.937 13.982 ( -2.064 6.072 -2.081) 6.742 14.195 ( -0.156 -4.449 -12.301) 13.082 14.563 ( -4.730 9.818 -15.471) 18.923 14.937 ( -14.208 -4.416 1.816) 14.989 15.554 ( -0.716 -3.487 0.186) 3.564 15.667 ( -0.782 -5.030 1.251) 5.242 15.989 ( 7.852 3.350 3.209) 9.120 16.198 ( 3.932 -9.040 -10.920) 14.712 17.010 ( -6.655 23.811 0.956) 24.742 17.394 ( 8.149 1.525 -2.833) 8.761 17.464 ( 5.059 -1.020 1.505) 5.375 17.879 ( -11.574 -14.535 4.629) 19.148 20.203 ( -7.143 27.135 81.878) 86.553 21.815 ( -32.791 -49.729 52.894) 79.661 24.109 ( -6.553 12.442 -21.814) 25.954 24.336 ( -6.124 -1.645 -32.048) 32.669 ======================= Grid point 123 (45/90) ======================= q-point: ( 0.20 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 3.345 3.952 12.470) 13.502 1.389 ( -0.074 -3.266 11.459) 11.915 1.509 ( 6.007 2.235 10.287) 12.121 1.805 ( 0.214 1.812 6.947) 7.183 1.827 ( 1.901 -0.598 2.617) 3.289 2.071 ( 0.963 -5.270 7.076) 8.875 2.092 ( 4.071 9.146 6.955) 12.190 2.203 ( -0.606 1.570 0.330) 1.715 2.275 ( -2.563 -1.239 2.253) 3.630 2.424 ( -2.287 6.574 7.574) 10.286 2.621 ( -0.985 -5.406 3.720) 6.635 2.635 ( -0.383 0.377 11.750) 11.763 2.793 ( -0.300 -2.848 16.247) 16.498 2.963 ( 2.364 -6.485 9.681) 11.890 3.042 ( -2.973 -6.225 4.888) 8.455 3.104 ( 1.839 -0.242 3.650) 4.095 3.133 ( 4.878 -2.530 0.047) 5.495 3.224 ( 4.456 -0.987 -3.432) 5.710 3.306 ( -0.060 5.343 1.153) 5.466 3.493 ( 5.497 -1.500 1.904) 6.008 3.523 ( 2.962 3.889 23.650) 24.150 3.722 ( 2.120 -5.147 10.876) 12.218 3.901 ( -4.071 11.293 -0.733) 12.027 3.918 ( 1.979 5.848 6.910) 9.266 4.148 ( 0.660 -3.988 -2.335) 4.668 4.315 ( -2.823 -9.579 0.378) 9.993 4.428 ( -0.590 4.230 1.849) 4.654 4.607 ( -2.362 -4.217 4.483) 6.593 4.962 ( -4.575 5.215 -4.302) 8.163 5.021 ( -2.917 0.179 -6.943) 7.534 5.110 ( -2.920 4.476 7.864) 9.508 5.352 ( -5.543 -5.269 13.089) 15.160 5.520 ( 4.951 1.303 2.378) 5.645 5.608 ( 7.359 -2.246 0.187) 7.696 5.707 ( -2.167 0.518 -4.924) 5.405 5.737 ( -2.208 -1.035 -2.997) 3.864 5.837 ( -1.840 3.113 14.026) 14.485 5.892 ( -0.981 0.043 18.926) 18.952 6.286 ( 2.651 4.089 -7.750) 9.155 6.466 ( 2.112 -4.188 -8.461) 9.674 6.791 ( -3.221 2.221 -1.046) 4.050 6.887 ( -3.623 -2.046 -2.169) 4.692 7.626 ( 0.089 -0.632 7.687) 7.714 7.728 ( 0.864 -2.218 8.477) 8.805 7.865 ( -0.633 2.458 2.046) 3.260 8.078 ( -0.886 -1.447 -1.737) 2.428 8.263 ( 4.431 4.974 1.945) 6.939 8.452 ( 1.392 -2.611 -1.113) 3.161 8.521 ( -2.195 2.480 2.034) 3.886 8.562 ( 2.312 2.696 4.558) 5.779 8.970 ( 1.121 -0.924 4.370) 4.605 9.172 ( -0.625 -2.040 -4.351) 4.846 9.238 ( 1.588 0.556 -4.668) 4.962 9.429 ( -0.776 -10.127 8.453) 13.214 9.651 ( 0.820 2.539 -0.760) 2.775 9.836 ( -2.341 -3.145 1.664) 4.259 10.060 ( -5.834 9.014 3.282) 11.228 10.288 ( -4.854 -3.411 -1.405) 6.096 10.856 ( -1.588 1.304 -16.469) 16.596 10.896 ( -0.876 -0.484 -17.675) 17.703 11.258 ( -1.426 4.691 4.744) 6.822 11.568 ( -4.007 -9.663 5.860) 11.991 11.930 ( 1.680 0.782 0.422) 1.901 11.953 ( -0.231 -0.451 -5.696) 5.719 12.038 ( -0.763 5.438 4.693) 7.223 12.266 ( -0.233 -5.589 8.224) 9.947 12.708 ( 13.973 2.943 -6.705) 15.775 12.869 ( 10.700 -5.000 0.903) 11.845 13.927 ( -3.495 8.121 -3.321) 9.444 14.191 ( -0.383 -5.201 -15.001) 15.881 14.450 ( -6.214 7.272 -15.706) 18.389 14.647 ( -13.508 -1.011 -2.341) 13.747 15.553 ( 0.338 -3.685 0.381) 3.720 15.641 ( -2.080 -4.451 2.900) 5.706 16.142 ( 5.162 0.944 1.536) 5.468 16.241 ( 0.797 -1.231 -4.126) 4.379 16.869 ( -6.314 15.407 4.473) 17.241 17.460 ( -10.899 -12.484 4.047) 17.059 17.619 ( 9.157 1.375 6.271) 11.183 17.676 ( 1.689 -0.202 5.925) 6.164 20.034 ( -9.285 19.925 70.129) 73.493 21.107 ( -35.519 -28.331 55.612) 71.812 23.996 ( -4.763 7.477 -17.040) 19.208 24.192 ( -7.909 -2.289 -26.077) 27.346 ======================= Grid point 124 (46/90) ======================= q-point: ( 0.30 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 4.942 -4.058 1.113) 6.491 1.289 ( -5.259 -7.553 5.170) 10.556 1.666 ( 1.796 10.941 3.004) 11.487 1.764 ( 5.770 5.794 8.960) 12.130 1.951 ( 5.675 -2.990 3.067) 7.109 2.089 ( 0.087 -4.155 5.408) 6.821 2.102 ( -3.092 -2.605 0.567) 4.083 2.179 ( -2.747 -0.838 -2.092) 3.553 2.235 ( -0.307 0.952 0.038) 1.001 2.391 ( -1.529 0.586 6.536) 6.738 2.592 ( -2.073 2.665 1.386) 3.650 2.643 ( 1.043 1.617 15.507) 15.626 2.782 ( -0.783 -3.826 11.565) 12.206 2.948 ( -5.709 -6.413 -3.130) 9.139 3.018 ( 1.362 3.225 11.874) 12.379 3.156 ( 3.272 -5.008 10.618) 12.187 3.252 ( 4.630 4.131 -1.040) 6.292 3.315 ( 3.973 6.045 2.137) 7.543 3.345 ( 8.198 1.066 -2.197) 8.554 3.575 ( 3.660 -2.383 9.071) 10.068 3.613 ( 5.437 0.460 12.203) 13.368 3.747 ( 0.432 -4.746 12.660) 13.527 3.817 ( -3.549 10.668 1.301) 11.318 3.977 ( 3.021 3.892 5.395) 7.306 4.151 ( -0.472 -5.053 -3.500) 6.164 4.269 ( -1.811 -7.753 1.471) 8.096 4.408 ( -1.748 2.904 -0.657) 3.452 4.552 ( -3.091 -3.621 2.411) 5.336 4.872 ( -3.984 4.116 -7.052) 9.085 4.970 ( -2.451 -0.985 -7.154) 7.626 5.058 ( -2.148 3.461 8.454) 9.384 5.236 ( -5.818 -3.858 12.106) 13.974 5.591 ( 1.581 0.493 1.656) 2.342 5.648 ( -1.816 -1.553 1.678) 2.920 5.684 ( -0.280 1.880 -2.363) 3.032 5.729 ( -0.644 1.514 4.596) 4.882 5.862 ( 4.869 -1.636 5.137) 7.265 5.878 ( -0.014 -0.856 16.575) 16.597 6.344 ( 3.094 4.439 -7.170) 8.983 6.495 ( 0.927 -3.000 -7.447) 8.081 6.732 ( -2.766 1.705 1.230) 3.474 6.817 ( -3.339 -1.953 -2.481) 4.595 7.632 ( 0.418 1.334 8.108) 8.228 7.717 ( -1.415 3.231 9.138) 9.795 7.891 ( 2.569 -5.107 3.863) 6.899 8.051 ( -1.608 -5.033 0.401) 5.299 8.346 ( 3.027 4.842 -0.622) 5.744 8.417 ( -3.086 1.684 -2.280) 4.190 8.506 ( 0.964 4.656 8.105) 9.397 8.647 ( 4.913 -0.112 2.522) 5.523 8.992 ( 1.107 -1.530 4.795) 5.154 9.149 ( -1.596 -1.728 -4.229) 4.839 9.268 ( 1.398 0.429 -5.657) 5.843 9.414 ( -0.719 -7.916 8.172) 11.400 9.666 ( 0.657 2.163 4.281) 4.841 9.800 ( -1.077 -1.301 3.660) 4.031 9.964 ( -3.980 7.345 1.193) 8.439 10.184 ( -5.468 -3.710 -1.716) 6.827 10.827 ( -1.358 1.733 -16.148) 16.297 10.877 ( -0.990 -0.531 -18.314) 18.349 11.238 ( -0.614 3.828 3.204) 5.029 11.492 ( -3.529 -7.806 7.238) 11.215 11.943 ( 0.046 0.027 -3.706) 3.706 11.949 ( -0.160 -0.074 -6.201) 6.204 12.060 ( 2.337 5.637 11.054) 12.626 12.287 ( 1.969 -5.256 10.964) 12.317 13.000 ( 15.526 0.932 -8.206) 17.586 13.071 ( 9.792 -2.820 0.844) 10.225 13.845 ( -4.862 9.689 -2.432) 11.110 14.164 ( -2.958 -6.010 -14.853) 16.294 14.350 ( -3.299 4.583 -17.077) 17.986 14.451 ( -6.528 -0.544 -9.327) 11.397 15.553 ( -0.697 -2.873 -0.473) 2.994 15.601 ( -0.986 -4.200 2.800) 5.143 16.075 ( -9.775 6.797 -7.381) 14.008 16.262 ( -2.210 -1.395 11.225) 11.525 16.815 ( 0.972 5.337 6.765) 8.672 17.135 ( -15.440 -8.464 5.362) 18.406 17.756 ( 6.570 3.205 16.389) 17.945 17.866 ( 10.431 -1.629 15.337) 18.619 19.875 ( -6.456 13.012 53.232) 55.179 20.520 ( -24.244 -15.161 46.160) 54.299 23.923 ( -2.858 3.810 -15.216) 15.944 24.051 ( -6.289 -1.957 -20.580) 21.609 ======================= Grid point 125 (47/90) ======================= q-point: ( 0.40 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.735 -4.512 1.377) 6.017 1.384 ( 8.593 -11.025 -8.140) 16.176 1.641 ( -0.727 11.794 2.144) 12.010 1.935 ( 1.865 3.090 0.839) 3.705 1.976 ( 0.973 1.158 -4.222) 4.485 2.033 ( -3.605 -3.383 -2.324) 5.463 2.048 ( -0.258 -6.597 4.236) 7.844 2.177 ( 0.629 -3.647 9.287) 9.997 2.228 ( -0.476 -1.762 2.683) 3.245 2.367 ( -0.415 -4.574 3.326) 5.671 2.564 ( -0.393 10.316 1.556) 10.440 2.638 ( -2.245 5.168 7.232) 9.168 2.771 ( 0.024 -1.977 2.580) 3.251 2.851 ( -3.458 -4.394 3.946) 6.844 3.017 ( -0.888 3.865 14.490) 15.022 3.196 ( 0.906 -4.060 6.764) 7.941 3.279 ( 0.141 6.650 2.372) 7.062 3.449 ( 6.665 3.013 6.085) 9.515 3.521 ( 7.469 0.600 -0.304) 7.499 3.642 ( 3.210 -3.733 2.663) 5.597 3.717 ( 3.659 2.236 14.750) 15.360 3.740 ( 0.056 -1.250 9.393) 9.476 3.783 ( 0.244 5.743 3.873) 6.931 4.022 ( 1.590 1.688 4.682) 5.225 4.132 ( -1.175 -3.851 -3.210) 5.149 4.245 ( -0.682 -5.605 3.043) 6.414 4.358 ( -3.058 2.499 -3.844) 5.511 4.497 ( -2.248 -3.860 0.455) 4.490 4.822 ( -1.104 2.701 -7.779) 8.308 4.920 ( -2.623 -1.756 -7.668) 8.292 5.028 ( -0.986 2.494 8.088) 8.521 5.145 ( -3.239 -2.421 10.661) 11.402 5.592 ( -0.549 -0.848 0.876) 1.338 5.610 ( -1.636 -1.378 1.075) 2.394 5.691 ( 0.221 3.396 4.806) 5.889 5.705 ( -1.025 2.687 9.729) 10.145 5.881 ( 0.541 -0.792 14.187) 14.220 5.959 ( 3.629 -4.930 -3.988) 7.306 6.399 ( 2.282 4.258 -7.331) 8.780 6.504 ( 0.010 -1.417 -6.457) 6.611 6.689 ( -1.537 1.183 4.031) 4.473 6.766 ( -1.782 -1.897 -2.622) 3.695 7.641 ( 0.483 3.265 7.260) 7.975 7.690 ( -1.177 3.684 10.812) 11.483 7.943 ( 2.529 -7.406 4.090) 8.830 8.019 ( -1.632 -6.700 2.136) 7.219 8.354 ( -1.671 3.262 -1.192) 3.854 8.376 ( -0.722 0.858 -0.712) 1.329 8.559 ( 3.468 9.171 8.425) 12.927 8.722 ( 2.418 0.179 1.684) 2.952 9.014 ( 1.164 -2.663 5.014) 5.796 9.115 ( -1.706 -2.210 -4.133) 4.988 9.290 ( 0.833 0.817 -6.169) 6.278 9.401 ( -0.521 -6.952 8.981) 11.369 9.679 ( 0.734 4.555 10.716) 11.667 9.793 ( 0.108 -0.197 2.761) 2.770 9.905 ( -2.044 4.030 -1.068) 4.643 10.088 ( -4.086 -3.757 -3.963) 6.820 10.806 ( -0.741 1.882 -15.943) 16.070 10.861 ( -0.608 -0.557 -19.058) 19.075 11.233 ( -0.047 3.233 1.636) 3.623 11.437 ( -1.981 -6.060 7.208) 9.622 11.943 ( -0.037 0.157 -4.570) 4.572 11.946 ( -0.121 0.068 -5.605) 5.607 12.104 ( 1.813 5.181 12.804) 13.931 12.328 ( 1.837 -5.198 12.841) 13.974 13.236 ( 6.711 0.477 0.195) 6.731 13.285 ( 12.730 -1.373 -10.742) 16.713 13.750 ( -4.375 8.764 -0.551) 9.811 14.076 ( -5.359 -5.917 -10.868) 13.485 14.325 ( 0.072 1.737 -19.210) 19.288 14.379 ( -1.582 -0.871 -14.701) 14.811 15.541 ( 0.728 0.228 -2.563) 2.674 15.623 ( 2.645 -4.415 -0.531) 5.174 15.859 ( -10.150 7.539 -0.885) 12.674 16.090 ( -13.665 -3.312 11.767) 18.335 16.870 ( 3.405 0.819 7.841) 8.588 16.956 ( -3.712 -2.824 7.114) 8.507 17.861 ( 3.871 3.988 24.528) 25.150 18.027 ( 5.731 -3.233 27.187) 27.972 19.797 ( -1.551 7.629 36.165) 36.993 20.159 ( -13.096 -8.049 36.659) 39.751 23.882 ( -1.323 1.935 -14.788) 14.973 23.956 ( -3.397 -1.268 -17.034) 17.416 ======================= Grid point 126 (48/90) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 -2.504 0.205) 2.512 1.494 ( 0.000 -14.537 -12.839) 19.395 1.642 ( 0.000 12.087 3.472) 12.576 1.883 ( 0.000 -0.436 -9.930) 9.940 1.942 ( 0.000 -4.347 -8.729) 9.752 2.049 ( 0.000 -7.758 3.555) 8.534 2.089 ( 0.000 2.112 7.427) 7.722 2.168 ( -0.000 -1.966 13.560) 13.701 2.223 ( 0.000 -0.995 3.808) 3.936 2.368 ( 0.000 -4.424 3.410) 5.586 2.578 ( 0.000 11.626 -5.775) 12.982 2.586 ( -0.000 7.294 2.525) 7.719 2.779 ( 0.000 -0.833 -1.310) 1.552 2.816 ( 0.000 -5.461 13.035) 14.133 3.005 ( 0.000 3.748 16.962) 17.372 3.203 ( 0.000 -3.097 4.973) 5.858 3.279 ( 0.000 6.358 3.368) 7.196 3.518 ( 0.000 2.399 6.496) 6.925 3.588 ( 0.000 -2.040 1.038) 2.289 3.687 ( 0.000 -3.275 4.577) 5.628 3.720 ( 0.000 4.800 12.262) 13.168 3.775 ( 0.000 1.275 8.131) 8.230 3.793 ( -0.000 2.891 3.161) 4.284 4.042 ( 0.000 -0.541 4.409) 4.442 4.119 ( 0.000 -2.025 -1.840) 2.736 4.238 ( 0.000 -5.042 4.607) 6.830 4.319 ( 0.000 3.193 -6.529) 7.268 4.474 ( 0.000 -4.212 -0.478) 4.239 4.817 ( 0.000 1.458 -7.996) 8.128 4.887 ( 0.000 -1.534 -7.413) 7.571 5.019 ( 0.000 2.124 7.842) 8.124 5.114 ( 0.000 -1.926 9.705) 9.894 5.586 ( -0.000 -0.826 0.668) 1.063 5.592 ( 0.000 -1.525 1.393) 2.066 5.688 ( 0.000 2.785 12.809) 13.108 5.698 ( 0.000 3.255 5.459) 6.355 5.888 ( 0.000 -0.648 11.563) 11.581 5.994 ( 0.000 -5.612 -5.648) 7.962 6.423 ( 0.000 4.088 -7.733) 8.747 6.502 ( 0.000 -0.590 -5.965) 5.994 6.674 ( 0.000 0.921 5.434) 5.512 6.749 ( 0.000 -1.910 -2.562) 3.195 7.647 ( 0.000 4.630 5.565) 7.239 7.677 ( 0.000 2.812 12.874) 13.177 7.984 ( -0.000 -6.936 -0.971) 7.003 7.987 ( 0.000 -8.117 7.655) 11.157 8.334 ( 0.000 3.639 -1.361) 3.885 8.368 ( 0.000 -0.122 0.508) 0.522 8.600 ( 0.000 10.795 8.320) 13.629 8.742 ( 0.000 0.343 0.746) 0.821 9.030 ( 0.000 -3.163 6.608) 7.326 9.094 ( 0.000 -2.871 -5.566) 6.263 9.298 ( 0.000 1.114 -6.376) 6.473 9.396 ( 0.000 -6.672 9.677) 11.755 9.688 ( 0.000 6.049 14.501) 15.712 9.794 ( 0.000 0.431 0.617) 0.752 9.886 ( -0.000 2.069 -0.527) 2.135 10.044 ( 0.000 -3.847 -6.181) 7.280 10.799 ( 0.000 1.904 -15.875) 15.989 10.855 ( 0.000 -0.571 -19.383) 19.392 11.233 ( 0.000 3.009 0.924) 3.147 11.417 ( 0.000 -5.370 6.999) 8.822 11.942 ( 0.000 0.193 -4.703) 4.707 11.945 ( 0.000 0.178 -5.283) 5.286 12.122 ( 0.000 5.044 13.256) 14.183 12.347 ( 0.000 -5.239 13.586) 14.562 13.307 ( 0.000 2.581 -0.280) 2.596 13.428 ( 0.000 -2.580 -13.623) 13.865 13.702 ( 0.000 7.378 0.401) 7.389 14.008 ( 0.000 -6.091 -7.464) 9.634 14.329 ( 0.000 0.807 -20.052) 20.068 14.366 ( 0.000 -0.882 -16.159) 16.183 15.597 ( 0.000 2.305 -8.287) 8.601 15.611 ( -0.000 1.173 -5.572) 5.694 15.816 ( -0.000 -0.637 10.520) 10.540 15.863 ( 0.000 -2.024 10.790) 10.979 16.915 ( 0.000 -0.542 9.203) 9.219 16.923 ( 0.000 -0.929 7.280) 7.339 17.899 ( 0.000 4.289 27.827) 28.156 18.083 ( 0.000 -3.675 32.527) 32.734 19.792 ( 0.000 4.898 27.139) 27.577 20.023 ( 0.000 -5.051 34.634) 35.000 23.870 ( 0.000 1.329 -14.867) 14.926 23.922 ( 0.000 -0.925 -15.718) 15.745 ======================= Grid point 132 (49/90) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 0.000 -10.664 18.885) 21.688 1.237 ( 0.000 10.664 18.885) 21.688 1.438 ( 0.000 -14.141 14.827) 20.489 1.438 ( 0.000 14.141 14.827) 20.489 1.996 ( 0.000 -3.504 2.388) 4.240 1.996 ( 0.000 3.504 2.388) 4.240 2.266 ( 0.000 -13.051 7.685) 15.146 2.266 ( 0.000 13.051 7.685) 15.146 2.472 ( 0.000 -15.279 -0.262) 15.281 2.472 ( 0.000 15.279 -0.262) 15.281 2.626 ( 0.000 -3.910 8.601) 9.448 2.626 ( 0.000 3.910 8.601) 9.448 2.716 ( 0.000 -0.530 22.635) 22.641 2.716 ( 0.000 0.530 22.635) 22.641 3.000 ( 0.000 -4.124 -1.858) 4.523 3.000 ( 0.000 4.124 -1.858) 4.523 3.090 ( 0.000 -1.517 7.906) 8.050 3.090 ( 0.000 1.517 7.906) 8.050 3.315 ( 0.000 -1.601 3.815) 4.138 3.315 ( 0.000 1.601 3.815) 4.138 3.570 ( 0.000 -5.292 17.634) 18.411 3.570 ( 0.000 5.292 17.634) 18.411 4.024 ( 0.000 -7.924 3.134) 8.521 4.024 ( 0.000 7.924 3.134) 8.521 4.226 ( 0.000 -9.191 -3.854) 9.966 4.226 ( 0.000 9.191 -3.854) 9.966 4.539 ( 0.000 -5.445 4.919) 7.338 4.539 ( 0.000 5.445 4.919) 7.338 5.122 ( 0.000 -1.320 -6.641) 6.771 5.122 ( 0.000 1.320 -6.641) 6.771 5.305 ( 0.000 -7.753 8.660) 11.624 5.305 ( 0.000 7.753 8.660) 11.624 5.427 ( 0.000 -2.768 5.649) 6.291 5.427 ( 0.000 2.768 5.649) 6.291 5.773 ( 0.000 -0.414 -4.820) 4.838 5.773 ( 0.000 0.414 -4.820) 4.838 5.932 ( 0.000 -0.153 15.691) 15.692 5.932 ( 0.000 0.153 15.691) 15.692 6.302 ( 0.000 -4.743 -8.931) 10.112 6.302 ( 0.000 4.743 -8.931) 10.112 6.925 ( 0.000 -2.842 -2.130) 3.551 6.925 ( 0.000 2.842 -2.130) 3.551 7.613 ( 0.000 -0.455 6.367) 6.383 7.613 ( 0.000 0.455 6.367) 6.383 8.089 ( 0.000 -3.418 -5.600) 6.561 8.089 ( 0.000 3.418 -5.600) 6.561 8.220 ( 0.000 -4.421 4.075) 6.012 8.220 ( 0.000 4.421 4.075) 6.012 8.607 ( 0.000 -0.419 0.405) 0.583 8.607 ( 0.000 0.419 0.405) 0.583 9.031 ( 0.000 -10.211 6.025) 11.856 9.031 ( 0.000 10.211 6.025) 11.856 9.252 ( 0.000 -4.770 2.331) 5.309 9.252 ( 0.000 4.770 2.331) 5.309 9.783 ( 0.000 -7.678 -2.393) 8.042 9.783 ( 0.000 7.678 -2.393) 8.042 10.331 ( 0.000 -3.868 -2.230) 4.464 10.331 ( 0.000 3.868 -2.230) 4.464 10.903 ( 0.000 -0.119 -17.245) 17.245 10.903 ( 0.000 0.119 -17.245) 17.245 11.461 ( 0.000 -10.541 5.767) 12.016 11.461 ( 0.000 10.541 5.767) 12.016 11.909 ( 0.000 -2.332 0.454) 2.376 11.909 ( 0.000 2.332 0.454) 2.376 12.266 ( 0.000 -7.201 -6.089) 9.430 12.266 ( 0.000 7.201 -6.089) 9.430 12.427 ( 0.000 -2.766 3.224) 4.248 12.427 ( 0.000 2.766 3.224) 4.248 14.106 ( 0.000 -5.552 -6.950) 8.895 14.106 ( 0.000 5.552 -6.950) 8.895 14.867 ( 0.000 -15.521 -8.732) 17.809 14.867 ( 0.000 15.521 -8.732) 17.809 15.582 ( 0.000 -4.325 0.029) 4.325 15.582 ( 0.000 4.325 0.029) 4.325 15.994 ( 0.000 -5.813 -2.685) 6.403 15.994 ( 0.000 5.813 -2.685) 6.403 17.348 ( 0.000 -4.130 -1.609) 4.432 17.348 ( 0.000 4.130 -1.609) 4.432 17.604 ( 0.000 -24.981 1.401) 25.021 17.604 ( 0.000 24.981 1.401) 25.021 21.059 ( 0.000 -54.120 76.558) 93.756 21.059 ( 0.000 54.120 76.558) 93.756 24.356 ( 0.000 -4.653 -32.888) 33.215 24.356 ( 0.000 4.653 -32.888) 33.215 ======================= Grid point 134 (50/90) ======================= q-point: ( 0.10 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 1.303 -11.163 16.585) 20.034 1.262 ( 1.303 11.163 16.585) 20.034 1.500 ( 6.228 -12.903 13.902) 19.963 1.500 ( 6.228 12.903 13.902) 19.963 1.978 ( -1.485 -4.365 2.334) 5.168 1.978 ( -1.485 4.365 2.334) 5.168 2.247 ( -1.874 -8.149 5.208) 9.851 2.247 ( -1.874 8.149 5.208) 9.851 2.430 ( -2.709 -15.570 0.071) 15.804 2.430 ( -2.709 15.570 0.071) 15.804 2.620 ( -0.442 -6.304 10.835) 12.543 2.620 ( -0.442 6.304 10.835) 12.543 2.742 ( 1.905 -1.859 20.327) 20.501 2.742 ( 1.905 1.859 20.327) 20.501 3.026 ( 1.853 -3.109 0.435) 3.646 3.026 ( 1.853 3.109 0.435) 3.646 3.097 ( 1.479 -1.071 5.480) 5.777 3.097 ( 1.479 1.071 5.480) 5.777 3.355 ( 3.535 -3.100 1.903) 5.072 3.355 ( 3.535 3.100 1.903) 5.072 3.585 ( 1.332 -5.659 18.156) 19.064 3.585 ( 1.332 5.659 18.156) 19.064 4.028 ( 0.372 -7.630 2.650) 8.085 4.028 ( 0.372 7.630 2.650) 8.085 4.189 ( -3.301 -9.437 -3.466) 10.581 4.189 ( -3.301 9.437 -3.466) 10.581 4.537 ( -0.367 -5.658 4.522) 7.252 4.537 ( -0.367 5.658 4.522) 7.252 5.090 ( -3.054 -1.055 -7.192) 7.884 5.090 ( -3.054 1.055 -7.192) 7.884 5.296 ( -1.839 -8.303 11.530) 14.327 5.296 ( -1.839 8.303 11.530) 14.327 5.455 ( 3.656 -1.779 2.738) 4.901 5.455 ( 3.656 1.779 2.738) 4.901 5.758 ( -1.547 -0.888 -4.701) 5.028 5.758 ( -1.547 0.888 -4.701) 5.028 5.916 ( -1.523 -0.653 16.046) 16.131 5.916 ( -1.523 0.653 16.046) 16.131 6.325 ( 2.165 -5.150 -8.666) 10.311 6.325 ( 2.165 5.150 -8.666) 10.311 6.900 ( -2.405 -2.927 -1.967) 4.269 6.900 ( -2.405 2.927 -1.967) 4.269 7.624 ( 1.127 -1.834 6.888) 7.216 7.624 ( 1.127 1.834 6.888) 7.216 8.044 ( -3.366 -6.278 -2.304) 7.487 8.044 ( -3.366 6.278 -2.304) 7.487 8.279 ( 4.848 -6.044 1.174) 7.836 8.279 ( 4.848 6.044 1.174) 7.836 8.594 ( -1.186 -0.258 0.871) 1.494 8.594 ( -1.186 0.258 0.871) 1.494 9.036 ( 0.476 -9.911 5.941) 11.565 9.036 ( 0.476 9.911 5.941) 11.565 9.261 ( 0.891 -4.694 1.941) 5.157 9.261 ( 0.891 4.694 1.941) 5.157 9.772 ( -1.061 -7.246 -1.777) 7.536 9.772 ( -1.061 7.246 -1.777) 7.536 10.293 ( -3.723 -4.990 -1.379) 6.377 10.293 ( -3.723 4.990 -1.379) 6.377 10.897 ( -0.578 -0.678 -17.273) 17.296 10.897 ( -0.578 0.678 -17.273) 17.296 11.437 ( -2.260 -10.225 6.188) 12.163 11.437 ( -2.260 10.225 6.188) 12.163 11.924 ( 1.196 -1.784 -0.674) 2.251 11.924 ( 1.196 1.784 -0.674) 2.251 12.192 ( -4.142 -6.446 -0.043) 7.663 12.192 ( -4.142 6.446 -0.043) 7.663 12.557 ( 10.111 -5.363 -0.848) 11.477 12.557 ( 10.111 5.363 -0.848) 11.477 14.098 ( -0.798 -6.070 -8.356) 10.358 14.098 ( -0.798 6.070 -8.356) 10.358 14.775 ( -8.556 -12.019 -8.793) 17.175 14.775 ( -8.556 12.019 -8.793) 17.175 15.566 ( -1.002 -4.489 0.926) 4.692 15.566 ( -1.002 4.489 0.926) 4.692 16.072 ( 6.520 -5.485 -1.776) 8.704 16.072 ( 6.520 5.485 -1.776) 8.704 17.353 ( -2.292 -8.934 0.778) 9.256 17.353 ( -2.292 8.934 0.778) 9.256 17.567 ( -1.031 -15.723 1.367) 15.816 17.567 ( -1.031 15.723 1.367) 15.816 20.890 ( -15.919 -46.722 74.230) 89.143 20.890 ( -15.919 46.722 74.230) 89.143 24.275 ( -7.258 -5.661 -29.184) 30.602 24.275 ( -7.258 5.661 -29.184) 30.602 ======================= Grid point 136 (51/90) ======================= q-point: ( 0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -2.678 -8.504 12.153) 15.073 1.248 ( -2.678 8.504 12.153) 15.073 1.663 ( 9.910 -10.323 11.442) 18.322 1.663 ( 9.910 10.323 11.442) 18.322 1.945 ( -2.063 -7.088 2.308) 7.735 1.945 ( -2.063 7.088 2.308) 7.735 2.198 ( -2.794 -3.780 0.138) 4.703 2.198 ( -2.794 3.780 0.138) 4.703 2.386 ( -2.820 -10.910 -0.938) 11.308 2.386 ( -2.820 10.910 -0.938) 11.308 2.630 ( 2.230 -5.189 10.987) 12.354 2.630 ( 2.230 5.189 10.987) 12.354 2.775 ( 1.228 -5.141 17.075) 17.874 2.775 ( 1.228 5.141 17.075) 17.874 3.054 ( 1.424 -3.269 8.851) 9.542 3.054 ( 1.424 3.269 8.851) 9.542 3.168 ( 5.670 -4.059 -2.195) 7.310 3.168 ( 5.670 4.059 -2.195) 7.310 3.425 ( 3.104 -6.119 -0.117) 6.862 3.425 ( 3.104 6.119 -0.117) 6.862 3.616 ( 1.878 -5.809 18.282) 19.274 3.616 ( 1.878 5.809 18.282) 19.274 4.030 ( -0.683 -4.096 1.217) 4.327 4.030 ( -0.683 4.096 1.217) 4.327 4.127 ( -2.168 -8.670 -1.367) 9.041 4.127 ( -2.168 8.670 -1.367) 9.041 4.519 ( -1.612 -5.192 3.291) 6.355 4.519 ( -1.612 5.192 3.291) 6.355 5.016 ( -4.233 -1.083 -8.010) 9.124 5.016 ( -4.233 1.083 -8.010) 9.124 5.230 ( -4.336 -7.528 12.605) 15.309 5.230 ( -4.336 7.528 12.605) 15.309 5.559 ( 5.717 -2.786 0.902) 6.423 5.559 ( 5.717 2.786 0.902) 6.423 5.721 ( -1.755 -0.844 -3.948) 4.403 5.721 ( -1.755 0.844 -3.948) 4.403 5.881 ( -1.843 -1.463 16.250) 16.420 5.881 ( -1.843 1.463 16.250) 16.420 6.376 ( 2.812 -5.268 -7.952) 9.945 6.376 ( 2.812 5.268 -7.952) 9.945 6.840 ( -3.532 -2.887 -1.463) 4.791 6.840 ( -3.532 2.887 -1.463) 4.791 7.653 ( 1.776 -3.478 8.058) 8.954 7.653 ( 1.776 3.478 8.058) 8.954 7.980 ( -3.099 -7.310 0.412) 7.950 7.980 ( -3.099 7.310 0.412) 7.950 8.376 ( 4.341 -5.645 -1.294) 7.238 8.376 ( 4.341 5.645 -1.294) 7.238 8.572 ( -0.578 -2.068 2.570) 3.349 8.572 ( -0.578 2.068 2.570) 3.349 9.046 ( 0.422 -8.893 5.525) 10.478 9.046 ( 0.422 8.893 5.525) 10.478 9.283 ( 1.193 -4.395 1.191) 4.708 9.283 ( 1.193 4.395 1.191) 4.708 9.749 ( -1.019 -5.998 -0.071) 6.084 9.749 ( -1.019 5.998 -0.071) 6.084 10.200 ( -5.453 -6.220 -0.174) 8.273 10.200 ( -5.453 6.220 -0.174) 8.273 10.881 ( -1.073 -1.170 -17.382) 17.454 10.881 ( -1.073 1.170 -17.382) 17.454 11.386 ( -2.617 -9.109 6.527) 11.507 11.386 ( -2.617 9.109 6.527) 11.507 11.943 ( 0.564 -0.659 -3.669) 3.770 11.943 ( 0.564 0.659 -3.669) 3.770 12.150 ( -0.144 -6.590 6.421) 9.202 12.150 ( -0.144 6.590 6.421) 9.202 12.778 ( 12.286 -4.576 -2.602) 13.366 12.778 ( 12.286 4.576 -2.602) 13.366 14.076 ( -1.528 -7.436 -10.563) 13.008 14.076 ( -1.528 7.436 -10.563) 13.008 14.583 ( -10.019 -6.169 -9.541) 15.149 14.583 ( -10.019 6.169 -9.541) 15.149 15.550 ( -0.776 -3.562 1.431) 3.916 15.550 ( -0.776 3.562 1.431) 3.916 16.192 ( 4.631 -3.518 0.682) 5.856 16.192 ( 4.631 3.518 0.682) 5.856 17.181 ( -12.989 -17.234 3.455) 21.856 17.181 ( -12.989 17.234 3.455) 21.856 17.652 ( 8.094 -1.932 6.394) 10.494 17.652 ( 8.094 1.932 6.394) 10.494 20.524 ( -19.599 -31.945 64.974) 75.008 20.524 ( -19.599 31.945 64.974) 75.008 24.122 ( -7.569 -5.562 -22.848) 24.704 24.122 ( -7.569 5.562 -22.848) 24.704 ======================= Grid point 138 (52/90) ======================= q-point: ( 0.30 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -1.774 -2.320 5.773) 6.470 1.194 ( -1.774 2.320 5.773) 6.470 1.862 ( 9.740 -7.740 9.497) 15.651 1.862 ( 9.740 7.740 9.497) 15.651 1.896 ( -2.579 -9.943 2.035) 10.472 1.896 ( -2.579 9.943 2.035) 10.472 2.135 ( -4.420 -2.580 -4.246) 6.650 2.135 ( -4.420 2.580 -4.246) 6.650 2.313 ( -3.529 -5.961 0.993) 6.998 2.313 ( -3.529 5.961 0.993) 6.998 2.687 ( 2.572 -2.003 9.962) 10.482 2.687 ( 2.572 2.003 9.962) 10.482 2.780 ( -0.804 -9.191 5.861) 10.930 2.780 ( -0.804 9.191 5.861) 10.930 3.084 ( 1.194 -3.347 12.403) 12.902 3.084 ( 1.194 3.347 12.403) 12.902 3.317 ( 9.184 -3.319 -1.475) 9.876 3.317 ( 9.184 3.319 -1.475) 9.876 3.469 ( 1.795 -8.583 0.253) 8.772 3.469 ( 1.795 8.583 0.253) 8.772 3.660 ( 2.667 -3.962 16.147) 16.838 3.660 ( 2.667 3.962 16.147) 16.838 3.997 ( -2.119 -6.637 -0.252) 6.971 3.997 ( -2.119 6.637 -0.252) 6.971 4.118 ( 0.723 -6.341 2.374) 6.809 4.118 ( 0.723 6.341 2.374) 6.809 4.476 ( -2.736 -4.252 1.072) 5.168 4.476 ( -2.736 4.252 1.072) 5.168 4.937 ( -3.726 -2.713 -8.417) 9.596 4.937 ( -3.726 2.713 -8.417) 9.596 5.146 ( -3.928 -5.493 11.422) 13.269 5.146 ( -3.928 5.493 11.422) 13.269 5.614 ( -0.462 -1.849 0.851) 2.087 5.614 ( -0.462 1.849 0.851) 2.087 5.723 ( 1.710 -1.912 -0.583) 2.630 5.723 ( 1.710 1.912 -0.583) 2.630 5.858 ( 0.075 -1.085 13.168) 13.213 5.858 ( 0.075 1.085 13.168) 13.213 6.428 ( 2.408 -4.293 -7.068) 8.613 6.428 ( 2.408 4.293 -7.068) 8.613 6.773 ( -3.168 -2.612 -0.596) 4.149 6.773 ( -3.168 2.612 -0.596) 4.149 7.688 ( 1.613 -4.319 9.322) 10.400 7.688 ( 1.613 4.319 9.322) 10.400 7.928 ( -2.114 -6.876 1.901) 7.441 7.928 ( -2.114 6.876 1.901) 7.441 8.414 ( -0.547 -2.167 -2.488) 3.345 8.414 ( -0.547 2.167 -2.488) 3.345 8.604 ( 4.008 -4.913 4.142) 7.574 8.604 ( 4.008 4.913 4.142) 7.574 9.048 ( -0.345 -7.117 4.504) 8.429 9.048 ( -0.345 7.117 4.504) 8.429 9.303 ( 0.883 -3.640 0.824) 3.835 9.303 ( 0.883 3.640 0.824) 3.835 9.740 ( 0.183 -4.525 2.487) 5.167 9.740 ( 0.183 4.525 2.487) 5.167 10.092 ( -5.357 -6.206 -0.562) 8.218 10.092 ( -5.357 6.206 -0.562) 8.218 10.859 ( -1.098 -1.476 -17.586) 17.682 10.859 ( -1.098 1.476 -17.586) 17.682 11.343 ( -1.739 -7.496 5.807) 9.641 11.343 ( -1.739 7.496 5.807) 9.641 11.947 ( -0.030 -0.204 -5.113) 5.117 11.947 ( -0.030 0.204 -5.113) 5.117 12.174 ( 2.126 -6.580 10.579) 12.639 12.174 ( 2.126 6.580 10.579) 12.639 13.025 ( 12.809 -1.956 -3.695) 13.474 13.025 ( 12.809 1.956 -3.695) 13.474 14.027 ( -3.844 -9.119 -9.566) 13.764 14.027 ( -3.844 9.119 -9.566) 13.764 14.422 ( -5.915 -2.872 -12.682) 14.286 14.422 ( -5.915 2.872 -12.682) 14.286 15.537 ( -0.154 -1.641 0.331) 1.681 15.537 ( -0.154 1.641 0.331) 1.681 16.198 ( -5.492 -5.669 3.137) 8.494 16.198 ( -5.492 5.669 3.137) 8.494 16.958 ( -7.581 -9.724 5.509) 13.504 16.958 ( -7.581 9.724 5.509) 13.504 17.819 ( 8.175 -3.327 16.408) 18.631 17.819 ( 8.175 3.327 16.408) 18.631 20.185 ( -14.405 -19.510 50.182) 55.735 20.185 ( -14.405 19.510 50.182) 55.735 23.997 ( -5.145 -3.815 -18.395) 19.478 23.997 ( -5.145 3.815 -18.395) 19.478 ======================= Grid point 140 (53/90) ======================= q-point: ( 0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 1.654 -7.441 -0.686) 7.653 1.196 ( 1.654 7.441 -0.686) 7.653 1.849 ( -1.457 -10.973 1.073) 11.121 1.849 ( -1.457 10.973 1.073) 11.121 1.984 ( -3.581 -1.876 -3.654) 5.449 1.984 ( -3.581 1.876 -3.654) 5.449 2.063 ( 3.422 -6.146 5.905) 9.184 2.063 ( 3.422 6.146 5.905) 9.184 2.280 ( -0.191 -4.401 4.459) 6.268 2.280 ( -0.191 4.401 4.459) 6.268 2.715 ( 0.171 -4.350 13.132) 13.835 2.715 ( 0.171 4.350 13.132) 13.835 2.751 ( -1.462 -7.325 -9.654) 12.206 2.751 ( -1.462 7.325 -9.654) 12.206 3.094 ( 0.030 -4.987 14.318) 15.161 3.094 ( 0.030 4.987 14.318) 15.161 3.444 ( 2.315 -8.209 -0.741) 8.561 3.444 ( 2.315 8.209 -0.741) 8.561 3.535 ( 4.864 -5.286 4.209) 8.326 3.535 ( 4.864 5.286 4.209) 8.326 3.723 ( 3.899 -0.287 12.525) 13.121 3.723 ( 3.899 0.287 12.525) 13.121 3.965 ( -1.037 -9.091 -0.232) 9.153 3.965 ( -1.037 9.091 -0.232) 9.153 4.135 ( 0.675 -5.078 4.616) 6.896 4.135 ( 0.675 5.078 4.616) 6.896 4.419 ( -2.720 -4.070 -1.603) 5.151 4.419 ( -2.720 4.070 -1.603) 5.151 4.876 ( -2.375 -2.931 -8.199) 9.025 4.876 ( -2.375 2.931 -8.199) 9.025 5.087 ( -2.039 -3.575 9.643) 10.484 5.087 ( -2.039 3.575 9.643) 10.484 5.591 ( -1.182 -0.617 1.110) 1.735 5.591 ( -1.182 0.617 1.110) 1.735 5.734 ( -0.390 -0.409 8.768) 8.786 5.734 ( -0.390 0.409 8.768) 8.786 5.885 ( 1.785 -2.159 3.503) 4.486 5.885 ( 1.785 2.159 3.503) 4.486 6.466 ( 1.467 -2.817 -6.407) 7.151 6.466 ( 1.467 2.817 -6.407) 7.151 6.723 ( -1.785 -2.444 0.482) 3.065 6.723 ( -1.785 2.444 0.482) 3.065 7.712 ( 0.825 -3.184 10.335) 10.846 7.712 ( 0.825 3.184 10.335) 10.846 7.899 ( -0.930 -4.361 2.463) 5.094 7.899 ( -0.930 4.361 2.463) 5.094 8.387 ( -1.470 -0.336 -1.651) 2.236 8.387 ( -1.470 0.336 -1.651) 2.236 8.692 ( 4.087 -4.582 3.992) 7.323 8.692 ( 4.087 4.582 3.992) 7.323 9.033 ( -1.032 -4.975 3.057) 5.930 9.033 ( -1.032 4.975 3.057) 5.930 9.316 ( 0.450 -2.517 1.006) 2.748 9.316 ( 0.450 2.517 1.006) 2.748 9.755 ( 1.200 -3.527 6.065) 7.118 9.755 ( 1.200 3.527 6.065) 7.118 9.999 ( -3.909 -5.517 -3.131) 7.451 9.999 ( -3.909 5.517 -3.131) 7.451 10.841 ( -0.661 -1.626 -17.815) 17.901 10.841 ( -0.661 1.626 -17.815) 17.901 11.319 ( -0.768 -6.066 4.586) 7.644 11.319 ( -0.768 6.066 4.586) 7.644 11.946 ( -0.028 -0.125 -5.042) 5.044 11.946 ( -0.028 0.125 -5.042) 5.044 12.215 ( 1.767 -6.569 12.608) 14.326 12.215 ( 1.767 6.569 12.608) 14.326 13.256 ( 10.054 -1.589 -5.290) 11.471 13.256 ( 10.054 1.589 -5.290) 11.471 13.929 ( -5.498 -9.696 -5.328) 12.354 13.929 ( -5.498 9.696 -5.328) 12.354 14.356 ( -1.316 -1.536 -16.821) 16.943 14.356 ( -1.316 1.536 -16.821) 16.943 15.561 ( 2.997 -2.200 -2.180) 4.310 15.561 ( 2.997 2.200 -2.180) 4.310 15.996 ( -12.857 -6.811 5.451) 15.537 15.996 ( -12.857 6.811 5.451) 15.537 16.902 ( 0.199 -2.607 7.369) 7.819 16.902 ( 0.199 2.607 7.369) 7.819 17.948 ( 4.696 -5.027 26.142) 27.032 17.948 ( 4.696 5.027 26.142) 27.032 19.976 ( -7.119 -10.996 36.738) 39.004 19.976 ( -7.119 10.996 36.738) 39.004 23.923 ( -2.533 -2.218 -16.101) 16.449 23.923 ( -2.533 2.218 -16.101) 16.449 ======================= Grid point 142 (54/90) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -12.125 -3.398) 12.592 1.222 ( 0.000 12.125 -3.398) 12.592 1.844 ( 0.000 -8.158 0.674) 8.186 1.844 ( 0.000 8.158 0.674) 8.186 1.906 ( 0.000 -1.997 -7.827) 8.078 1.906 ( 0.000 1.997 -7.827) 8.078 2.123 ( 0.000 -1.932 10.621) 10.795 2.123 ( -0.000 1.932 10.621) 10.795 2.282 ( 0.000 -4.760 5.249) 7.086 2.282 ( 0.000 4.760 5.249) 7.086 2.705 ( 0.000 -4.928 3.493) 6.040 2.705 ( 0.000 4.928 3.493) 6.040 2.743 ( 0.000 -3.639 -5.344) 6.465 2.743 ( 0.000 3.639 -5.344) 6.465 3.093 ( 0.000 -6.255 15.278) 16.508 3.093 ( 0.000 6.255 15.278) 16.508 3.460 ( 0.000 -10.451 -1.258) 10.526 3.460 ( 0.000 10.451 -1.258) 10.526 3.584 ( 0.000 -4.805 7.894) 9.241 3.584 ( 0.000 4.805 7.894) 9.241 3.776 ( 0.000 -1.291 9.687) 9.772 3.776 ( 0.000 1.291 9.687) 9.772 3.956 ( 0.000 -9.249 -0.315) 9.254 3.956 ( 0.000 9.249 -0.315) 9.254 4.141 ( 0.000 -4.542 5.641) 7.242 4.141 ( 0.000 4.542 5.641) 7.242 4.388 ( 0.000 -4.447 -3.112) 5.428 4.388 ( 0.000 4.447 -3.112) 5.428 4.851 ( 0.000 -2.134 -7.984) 8.264 4.851 ( 0.000 2.134 -7.984) 8.264 5.067 ( 0.000 -2.888 8.814) 9.275 5.067 ( 0.000 2.888 8.814) 9.275 5.579 ( 0.000 -0.065 1.348) 1.349 5.579 ( 0.000 0.065 1.348) 1.349 5.728 ( 0.000 -0.674 11.536) 11.556 5.728 ( 0.000 0.674 11.536) 11.556 5.904 ( 0.000 -3.231 0.357) 3.251 5.904 ( 0.000 3.231 0.357) 3.251 6.481 ( 0.000 -1.962 -6.210) 6.513 6.481 ( 0.000 1.962 -6.210) 6.513 6.706 ( 0.000 -2.434 1.052) 2.652 6.706 ( 0.000 2.434 1.052) 2.652 7.720 ( 0.000 -0.651 10.719) 10.738 7.720 ( 0.000 0.651 10.719) 10.738 7.890 ( 0.000 -0.337 2.586) 2.608 7.890 ( 0.000 0.337 2.586) 2.608 8.372 ( 0.000 -0.386 -1.350) 1.404 8.372 ( 0.000 0.386 -1.350) 1.404 8.736 ( 0.000 -2.755 4.123) 4.959 8.736 ( 0.000 2.755 4.123) 4.959 9.020 ( 0.000 -3.282 2.237) 3.972 9.020 ( 0.000 3.282 2.237) 3.972 9.321 ( 0.000 -1.875 1.176) 2.213 9.321 ( 0.000 1.875 1.176) 2.213 9.771 ( 0.000 -2.991 9.050) 9.532 9.771 ( 0.000 2.991 9.050) 9.532 9.957 ( -0.000 -5.057 -5.835) 7.721 9.957 ( -0.000 5.057 -5.835) 7.721 10.834 ( 0.000 -1.669 -17.917) 17.995 10.834 ( 0.000 1.669 -17.917) 17.995 11.312 ( 0.000 -5.482 4.000) 6.786 11.312 ( 0.000 5.482 4.000) 6.786 11.946 ( 0.000 -0.105 -4.920) 4.921 11.946 ( 0.000 0.105 -4.920) 4.921 12.233 ( 0.000 -6.637 13.320) 14.882 12.233 ( 0.000 6.637 13.320) 14.882 13.368 ( 0.000 -3.702 -6.869) 7.804 13.368 ( 0.000 3.702 -6.869) 7.804 13.862 ( 0.000 -9.203 -2.663) 9.580 13.862 ( 0.000 9.203 -2.663) 9.580 14.347 ( 0.000 -1.085 -18.258) 18.291 14.347 ( 0.000 1.085 -18.258) 18.291 15.625 ( 0.000 -0.178 -7.418) 7.420 15.625 ( 0.000 0.178 -7.418) 7.420 15.822 ( 0.000 -1.693 10.423) 10.560 15.822 ( -0.000 1.693 10.423) 10.560 16.910 ( 0.000 -0.210 8.065) 8.068 16.910 ( 0.000 0.210 8.065) 8.068 17.994 ( 0.000 -5.571 30.273) 30.781 17.994 ( 0.000 5.571 30.273) 30.781 19.907 ( 0.000 -6.999 31.305) 32.077 19.907 ( 0.000 6.999 31.305) 32.077 23.898 ( 0.000 -1.578 -15.411) 15.492 23.898 ( 0.000 1.578 -15.411) 15.492 ======================= Grid point 165 (55/90) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 0.000 24.716) 24.716 1.520 ( 0.000 0.000 19.049) 19.049 1.764 ( 0.000 0.000 13.323) 13.323 1.876 ( 0.000 0.000 8.603) 8.603 1.968 ( 0.000 0.000 4.856) 4.856 2.044 ( 0.000 0.000 7.501) 7.501 2.220 ( 0.000 0.000 2.356) 2.356 2.329 ( 0.000 0.000 0.369) 0.369 2.461 ( 0.000 0.000 -2.703) 2.703 2.583 ( 0.000 0.000 0.906) 0.906 2.717 ( 0.000 0.000 1.352) 1.352 2.886 ( 0.000 0.000 4.956) 4.956 2.975 ( 0.000 0.000 -4.276) 4.276 2.989 ( 0.000 0.000 10.885) 10.885 3.037 ( 0.000 0.000 -1.836) 1.836 3.203 ( 0.000 0.000 -1.648) 1.648 3.219 ( 0.000 0.000 14.037) 14.037 3.265 ( 0.000 0.000 -0.878) 0.878 3.301 ( 0.000 0.000 5.624) 5.624 3.498 ( 0.000 0.000 8.381) 8.381 3.687 ( 0.000 0.000 -2.031) 2.031 3.750 ( 0.000 0.000 -2.969) 2.969 4.050 ( 0.000 0.000 29.907) 29.907 4.235 ( 0.000 0.000 4.261) 4.261 4.353 ( 0.000 0.000 26.741) 26.741 4.401 ( 0.000 0.000 2.975) 2.975 4.504 ( 0.000 0.000 -1.758) 1.758 4.863 ( 0.000 0.000 -9.210) 9.210 4.868 ( 0.000 0.000 8.738) 8.738 5.012 ( 0.000 0.000 -3.095) 3.095 5.302 ( 0.000 0.000 6.128) 6.128 5.423 ( 0.000 0.000 5.184) 5.184 5.515 ( 0.000 0.000 7.789) 7.789 5.593 ( 0.000 0.000 -7.369) 7.369 5.611 ( 0.000 0.000 -3.468) 3.468 5.925 ( 0.000 0.000 8.525) 8.525 5.997 ( 0.000 0.000 -11.648) 11.648 6.118 ( 0.000 0.000 2.999) 2.999 6.179 ( 0.000 0.000 8.674) 8.674 6.234 ( 0.000 0.000 -10.526) 10.526 6.988 ( 0.000 0.000 20.020) 20.020 7.116 ( 0.000 0.000 15.885) 15.885 7.829 ( 0.000 0.000 8.839) 8.839 7.845 ( 0.000 0.000 -3.624) 3.624 7.862 ( 0.000 0.000 2.122) 2.122 7.891 ( 0.000 0.000 1.170) 1.170 8.238 ( 0.000 0.000 1.200) 1.200 8.382 ( 0.000 0.000 0.970) 0.970 8.498 ( 0.000 0.000 -3.504) 3.504 8.618 ( 0.000 0.000 -0.885) 0.885 8.950 ( 0.000 0.000 -18.127) 18.127 9.021 ( 0.000 0.000 -14.298) 14.298 9.062 ( 0.000 0.000 7.710) 7.710 9.464 ( 0.000 0.000 -3.677) 3.677 9.720 ( 0.000 0.000 3.706) 3.706 9.881 ( 0.000 0.000 -1.996) 1.996 10.222 ( 0.000 0.000 2.663) 2.663 10.357 ( 0.000 0.000 -1.990) 1.990 10.560 ( 0.000 0.000 -14.629) 14.629 10.572 ( 0.000 0.000 -14.209) 14.209 11.411 ( 0.000 0.000 9.888) 9.888 11.734 ( 0.000 0.000 -0.820) 0.820 11.875 ( 0.000 0.000 -2.013) 2.013 11.948 ( 0.000 0.000 -5.845) 5.845 12.008 ( 0.000 0.000 1.246) 1.246 12.275 ( 0.000 0.000 6.049) 6.049 12.449 ( 0.000 0.000 -6.315) 6.315 12.641 ( 0.000 0.000 1.706) 1.706 14.067 ( 0.000 0.000 9.780) 9.780 14.079 ( 0.000 0.000 -4.721) 4.721 14.232 ( 0.000 0.000 -9.952) 9.952 15.292 ( 0.000 0.000 5.654) 5.654 15.658 ( 0.000 0.000 -33.281) 33.281 15.697 ( 0.000 0.000 0.705) 0.705 15.727 ( 0.000 0.000 2.067) 2.067 15.921 ( 0.000 0.000 1.779) 1.779 16.868 ( 0.000 0.000 7.521) 7.521 17.182 ( 0.000 0.000 -4.915) 4.915 17.464 ( 0.000 0.000 3.234) 3.234 18.106 ( 0.000 0.000 -9.730) 9.730 21.505 ( 0.000 0.000 61.394) 61.394 23.120 ( 0.000 0.000 8.660) 8.660 23.687 ( 0.000 0.000 -12.379) 12.379 23.735 ( 0.000 0.000 -30.789) 30.789 ======================= Grid point 166 (56/90) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -4.744 0.000 21.464) 21.982 1.552 ( 3.048 0.000 16.314) 16.597 1.771 ( -1.264 0.000 9.531) 9.614 1.896 ( 1.447 0.000 7.253) 7.396 2.004 ( -3.441 0.000 9.231) 9.851 2.022 ( 4.907 0.000 6.015) 7.763 2.224 ( 0.464 0.000 2.337) 2.382 2.291 ( -3.360 0.000 0.751) 3.443 2.412 ( -4.860 0.000 -3.841) 6.195 2.532 ( -2.908 0.000 5.513) 6.233 2.697 ( -1.843 0.000 0.846) 2.028 2.924 ( 1.474 0.000 6.638) 6.799 2.960 ( -0.369 0.000 1.761) 1.799 2.972 ( 0.211 0.000 -3.312) 3.318 3.042 ( -1.411 0.000 -2.261) 2.665 3.214 ( 1.106 0.000 -0.540) 1.231 3.226 ( 1.660 0.000 14.278) 14.374 3.277 ( 0.552 0.000 3.004) 3.054 3.353 ( 3.295 0.000 5.198) 6.155 3.517 ( 2.549 0.000 7.659) 8.072 3.671 ( -0.879 0.000 -1.922) 2.114 3.743 ( -0.627 0.000 -3.029) 3.094 4.063 ( 1.241 0.000 29.193) 29.219 4.226 ( -0.922 0.000 3.522) 3.640 4.345 ( -0.704 0.000 25.484) 25.493 4.392 ( -1.421 0.000 2.383) 2.774 4.485 ( -1.421 0.000 -0.337) 1.461 4.834 ( -3.229 0.000 -9.480) 10.014 4.848 ( -2.193 0.000 7.951) 8.248 4.975 ( -3.130 0.000 -3.172) 4.457 5.300 ( -0.442 0.000 6.707) 6.722 5.487 ( 6.072 0.000 4.179) 7.371 5.547 ( 3.089 0.000 7.722) 8.317 5.581 ( -1.577 0.000 -7.565) 7.728 5.590 ( -1.576 0.000 -3.354) 3.706 5.877 ( -4.810 0.000 9.089) 10.283 6.014 ( 1.822 0.000 -11.066) 11.216 6.072 ( -3.611 0.000 3.737) 5.197 6.198 ( 0.899 0.000 7.026) 7.084 6.257 ( 2.142 0.000 -11.086) 11.291 6.975 ( -1.198 0.000 20.542) 20.577 7.096 ( -1.966 0.000 16.262) 16.380 7.810 ( -2.603 0.000 -0.302) 2.621 7.826 ( 0.427 0.000 7.978) 7.990 7.910 ( 3.943 0.000 3.429) 5.226 7.917 ( 1.801 0.000 -2.410) 3.009 8.249 ( 1.285 0.000 1.998) 2.375 8.432 ( 4.730 0.000 0.531) 4.760 8.474 ( -2.193 0.000 -3.096) 3.794 8.627 ( 0.691 0.000 0.696) 0.981 8.943 ( -0.722 0.000 -18.054) 18.069 9.021 ( -0.017 0.000 -14.666) 14.666 9.069 ( 0.754 0.000 6.898) 6.939 9.463 ( -0.110 0.000 -3.543) 3.545 9.723 ( 0.282 0.000 3.198) 3.211 9.876 ( -0.520 0.000 -1.884) 1.954 10.181 ( -3.739 0.000 3.900) 5.402 10.345 ( -1.460 0.000 -1.726) 2.261 10.552 ( -0.902 0.000 -13.923) 13.952 10.565 ( -0.492 0.000 -14.848) 14.856 11.387 ( -2.129 0.000 9.434) 9.671 11.722 ( -1.110 0.000 -0.828) 1.385 11.848 ( -1.778 0.000 -4.211) 4.571 11.935 ( -1.232 0.000 -5.443) 5.580 12.071 ( 5.187 0.000 7.247) 8.912 12.349 ( 7.408 0.000 2.124) 7.706 12.432 ( -0.430 0.000 -2.004) 2.049 12.731 ( 7.765 0.000 -1.730) 7.956 14.017 ( -4.541 0.000 7.774) 9.003 14.054 ( -2.200 0.000 -5.704) 6.113 14.199 ( -3.449 0.000 -8.658) 9.320 15.066 ( -19.145 0.000 0.945) 19.168 15.606 ( 0.564 0.000 -12.876) 12.888 15.666 ( -1.063 0.000 0.227) 1.087 15.895 ( 6.772 0.000 -8.681) 11.010 16.064 ( 11.872 0.000 2.667) 12.168 16.868 ( 0.234 0.000 8.059) 8.063 17.269 ( 8.882 0.000 -6.418) 10.958 17.493 ( 3.227 0.000 0.959) 3.367 17.980 ( -12.538 0.000 -8.464) 15.128 21.432 ( -7.163 0.000 61.869) 62.282 22.855 ( -25.234 0.000 18.157) 31.087 23.667 ( -1.926 0.000 -13.539) 13.675 23.713 ( -2.186 0.000 -29.729) 29.809 ======================= Grid point 167 (57/90) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -4.960 0.000 13.899) 14.757 1.617 ( 2.885 0.000 9.295) 9.732 1.676 ( -8.094 0.000 6.988) 10.693 1.852 ( -5.941 0.000 5.280) 7.948 1.989 ( 1.856 0.000 8.665) 8.861 2.100 ( 1.355 0.000 2.075) 2.478 2.239 ( -1.037 0.000 0.676) 1.238 2.246 ( 2.185 0.000 2.975) 3.691 2.289 ( -6.664 0.000 -3.487) 7.521 2.515 ( 0.579 0.000 7.135) 7.159 2.656 ( -2.519 0.000 0.042) 2.519 2.898 ( -3.973 0.000 2.026) 4.460 2.945 ( -5.126 0.000 -2.127) 5.549 2.982 ( 0.800 0.000 -1.360) 1.578 3.052 ( 7.229 0.000 -0.219) 7.232 3.239 ( 0.837 0.000 3.009) 3.123 3.265 ( 1.555 0.000 11.194) 11.302 3.308 ( 3.803 0.000 12.577) 13.140 3.385 ( 0.671 0.000 4.434) 4.485 3.594 ( 4.150 0.000 4.809) 6.352 3.683 ( 2.344 0.000 -3.458) 4.178 3.736 ( 0.229 0.000 -1.695) 1.711 4.093 ( 1.678 0.000 26.934) 26.986 4.202 ( -1.522 0.000 1.564) 2.182 4.318 ( -3.320 0.000 16.910) 17.233 4.353 ( -0.921 0.000 6.973) 7.034 4.465 ( -0.720 0.000 1.970) 2.097 4.740 ( -5.805 0.000 -9.830) 11.416 4.782 ( -4.484 0.000 7.334) 8.597 4.917 ( -2.652 0.000 -3.635) 4.500 5.278 ( -1.839 0.000 8.072) 8.279 5.529 ( -3.362 0.000 -6.739) 7.531 5.563 ( -1.417 0.000 -3.895) 4.145 5.617 ( 4.387 0.000 7.264) 8.486 5.633 ( 7.307 0.000 1.732) 7.509 5.756 ( -6.899 0.000 8.835) 11.209 5.998 ( -3.681 0.000 2.686) 4.557 6.064 ( 3.078 0.000 -9.968) 10.432 6.202 ( -0.379 0.000 5.406) 5.419 6.303 ( 2.284 0.000 -11.235) 11.464 6.949 ( -1.224 0.000 21.665) 21.700 7.048 ( -2.693 0.000 17.603) 17.808 7.758 ( -2.560 0.000 1.593) 3.015 7.846 ( 1.363 0.000 9.124) 9.225 7.949 ( 1.365 0.000 -4.918) 5.103 7.994 ( 4.197 0.000 2.777) 5.032 8.290 ( 2.849 0.000 2.933) 4.089 8.424 ( -2.757 0.000 -1.525) 3.150 8.544 ( 6.154 0.000 -0.029) 6.154 8.640 ( 0.613 0.000 4.273) 4.317 8.923 ( -1.254 0.000 -17.593) 17.638 9.020 ( -0.102 0.000 -15.421) 15.421 9.093 ( 1.684 0.000 5.159) 5.427 9.464 ( 0.340 0.000 -3.258) 3.276 9.728 ( 0.112 0.000 1.798) 1.801 9.864 ( -0.507 0.000 -1.498) 1.581 10.099 ( -4.178 0.000 6.760) 7.947 10.294 ( -3.753 0.000 -0.864) 3.851 10.526 ( -1.576 0.000 -13.574) 13.666 10.554 ( -0.704 0.000 -14.918) 14.934 11.341 ( -2.384 0.000 8.428) 8.758 11.694 ( -1.726 0.000 -0.188) 1.736 11.824 ( -0.628 0.000 -5.161) 5.199 11.904 ( -1.913 0.000 -4.991) 5.346 12.178 ( 5.514 0.000 13.124) 14.236 12.456 ( 2.879 0.000 3.058) 4.200 12.549 ( 12.689 0.000 -3.312) 13.114 12.905 ( 9.556 0.000 -4.506) 10.565 13.912 ( -5.869 0.000 5.855) 8.290 14.012 ( -1.771 0.000 -7.851) 8.048 14.105 ( -5.770 0.000 -8.370) 10.166 14.677 ( -19.080 0.000 -0.465) 19.085 15.618 ( -0.527 0.000 -8.030) 8.048 15.673 ( 1.362 0.000 -0.098) 1.365 15.923 ( -3.512 0.000 -2.794) 4.488 16.309 ( 11.739 0.000 3.344) 12.206 16.887 ( 1.994 0.000 9.518) 9.725 17.509 ( 14.794 0.000 -9.898) 17.800 17.600 ( 7.879 0.000 -3.579) 8.653 17.653 ( -19.671 0.000 -4.579) 20.197 21.247 ( -11.111 0.000 62.960) 63.932 22.256 ( -33.277 0.000 35.576) 48.713 23.617 ( -3.073 0.000 -16.484) 16.768 23.658 ( -3.223 0.000 -27.318) 27.508 ======================= Grid point 168 (58/90) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -2.741 0.000 3.787) 4.675 1.494 ( -9.548 0.000 6.621) 11.619 1.618 ( -3.484 0.000 4.906) 6.017 1.769 ( -1.060 0.000 -3.796) 3.941 1.963 ( -5.745 0.000 -0.224) 5.749 2.062 ( -4.177 0.000 -4.558) 6.182 2.204 ( 0.373 0.000 3.554) 3.574 2.289 ( 4.692 0.000 2.705) 5.416 2.298 ( 2.208 0.000 4.271) 4.808 2.518 ( -1.004 0.000 5.291) 5.385 2.590 ( -4.176 0.000 0.075) 4.177 2.702 ( -11.815 0.000 -8.445) 14.523 2.939 ( 1.437 0.000 10.012) 10.114 3.007 ( 1.707 0.000 0.420) 1.757 3.221 ( -2.651 0.000 6.323) 6.856 3.225 ( 8.678 0.000 0.870) 8.721 3.312 ( 3.896 0.000 10.174) 10.895 3.411 ( 2.090 0.000 3.640) 4.197 3.428 ( 8.732 0.000 12.452) 15.209 3.650 ( 1.925 0.000 1.154) 2.244 3.745 ( 3.495 0.000 -4.092) 5.381 3.756 ( 1.488 0.000 2.979) 3.330 4.116 ( -0.390 0.000 19.433) 19.437 4.159 ( -3.215 0.000 -1.377) 3.498 4.233 ( -3.765 0.000 8.857) 9.624 4.355 ( 0.356 0.000 14.128) 14.133 4.452 ( -0.460 0.000 4.755) 4.777 4.642 ( -3.529 0.000 -9.505) 10.139 4.682 ( -5.518 0.000 6.597) 8.601 4.864 ( -2.993 0.000 -4.778) 5.638 5.235 ( -2.418 0.000 8.687) 9.018 5.451 ( -4.634 0.000 -2.979) 5.509 5.538 ( -1.011 0.000 -3.899) 4.028 5.639 ( -4.457 0.000 5.319) 6.939 5.683 ( 2.506 0.000 6.571) 7.033 5.764 ( 5.450 0.000 -0.509) 5.474 5.937 ( -2.533 0.000 0.241) 2.544 6.125 ( 2.945 0.000 -9.375) 9.827 6.187 ( -1.004 0.000 3.932) 4.058 6.338 ( 1.178 0.000 -10.501) 10.567 6.931 ( -0.620 0.000 22.217) 22.226 7.002 ( -1.770 0.000 19.977) 20.055 7.715 ( -1.789 0.000 2.354) 2.957 7.873 ( 1.283 0.000 10.601) 10.678 7.968 ( 0.548 0.000 -6.227) 6.251 8.059 ( 2.291 0.000 0.702) 2.397 8.356 ( 3.782 0.000 2.867) 4.746 8.372 ( -2.493 0.000 0.959) 2.671 8.647 ( 3.837 0.000 -1.435) 4.097 8.655 ( 1.040 0.000 8.031) 8.098 8.904 ( -0.367 0.000 -15.896) 15.900 9.016 ( -0.315 0.000 -15.900) 15.903 9.133 ( 2.250 0.000 3.759) 4.381 9.481 ( 1.486 0.000 -2.600) 2.994 9.722 ( -0.946 0.000 -0.384) 1.021 9.863 ( 0.631 0.000 -1.070) 1.242 10.031 ( -2.740 0.000 9.842) 10.216 10.204 ( -5.274 0.000 0.609) 5.309 10.498 ( -1.252 0.000 -13.477) 13.535 10.538 ( -0.944 0.000 -14.449) 14.480 11.300 ( -1.684 0.000 7.342) 7.532 11.659 ( -1.786 0.000 1.730) 2.487 11.821 ( 0.240 0.000 -5.232) 5.237 11.865 ( -1.951 0.000 -5.483) 5.820 12.277 ( 4.503 0.000 15.515) 16.156 12.534 ( 4.710 0.000 7.137) 8.551 12.818 ( 14.232 0.000 -6.709) 15.734 13.085 ( 8.598 0.000 -5.447) 10.178 13.799 ( -5.513 0.000 4.967) 7.420 13.992 ( -0.310 0.000 -9.926) 9.931 13.997 ( -4.841 0.000 -8.725) 9.978 14.361 ( -12.889 0.000 -3.338) 13.315 15.573 ( -3.719 0.000 -5.422) 6.575 15.707 ( 2.128 0.000 -0.408) 2.166 15.793 ( -8.699 0.000 1.789) 8.881 16.443 ( -0.583 0.000 1.450) 1.563 16.953 ( 4.831 0.000 10.922) 11.943 17.298 ( -13.980 0.000 2.999) 14.298 17.764 ( 9.995 0.000 -7.501) 12.497 17.822 ( 14.571 0.000 -11.914) 18.821 21.029 ( -10.679 0.000 64.054) 64.938 21.651 ( -27.307 0.000 48.089) 55.301 23.556 ( -2.982 0.000 -19.556) 19.782 23.596 ( -2.948 0.000 -25.335) 25.506 ======================= Grid point 169 (59/90) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.614 0.000 -6.984) 7.011 1.335 ( -6.166 0.000 5.495) 8.259 1.554 ( -1.387 0.000 -0.745) 1.574 1.718 ( -6.585 0.000 -10.938) 12.768 1.882 ( 0.111 0.000 -2.753) 2.755 1.977 ( -3.841 0.000 -8.772) 9.576 2.241 ( 1.969 0.000 5.902) 6.222 2.289 ( -3.924 0.000 4.291) 5.815 2.393 ( 4.874 0.000 2.595) 5.522 2.473 ( -1.711 0.000 0.402) 1.757 2.507 ( -3.744 0.000 1.436) 4.009 2.542 ( -4.050 0.000 0.062) 4.050 2.964 ( 0.917 0.000 9.213) 9.259 3.042 ( 1.735 0.000 0.653) 1.854 3.158 ( -3.257 0.000 7.568) 8.239 3.305 ( 1.207 0.000 13.228) 13.283 3.453 ( 1.848 0.000 5.449) 5.754 3.460 ( 8.674 0.000 1.011) 8.732 3.614 ( 8.761 0.000 7.075) 11.261 3.683 ( 1.510 0.000 1.427) 2.077 3.779 ( 0.759 0.000 4.722) 4.782 3.809 ( 3.218 0.000 -2.149) 3.870 4.035 ( -6.750 0.000 5.383) 8.633 4.082 ( -4.055 0.000 -3.930) 5.647 4.224 ( 1.709 0.000 11.682) 11.807 4.352 ( -0.798 0.000 15.445) 15.466 4.454 ( 0.708 0.000 9.762) 9.788 4.578 ( -4.852 0.000 4.688) 6.746 4.612 ( 0.221 0.000 -8.958) 8.960 4.799 ( -3.395 0.000 -6.130) 7.007 5.191 ( -1.849 0.000 7.578) 7.800 5.368 ( -3.222 0.000 2.738) 4.228 5.525 ( -0.346 0.000 -4.302) 4.316 5.584 ( -1.501 0.000 1.519) 2.135 5.714 ( 0.732 0.000 5.055) 5.108 5.835 ( 1.800 0.000 1.380) 2.269 5.904 ( -0.797 0.000 -4.614) 4.683 6.170 ( -0.715 0.000 3.368) 3.443 6.172 ( 1.726 0.000 -9.513) 9.668 6.350 ( 0.226 0.000 -9.507) 9.510 6.923 ( -0.264 0.000 21.769) 21.770 6.983 ( -0.327 0.000 22.328) 22.330 7.690 ( -0.819 0.000 2.646) 2.770 7.892 ( 0.700 0.000 11.679) 11.700 7.973 ( 0.086 0.000 -6.786) 6.787 8.084 ( 0.540 0.000 -1.430) 1.528 8.330 ( -1.652 0.000 3.141) 3.549 8.426 ( 3.050 0.000 2.160) 3.737 8.678 ( 1.092 0.000 10.543) 10.599 8.681 ( -0.038 0.000 -4.962) 4.962 8.917 ( 1.485 0.000 -12.275) 12.365 9.007 ( -0.549 0.000 -15.979) 15.989 9.173 ( 1.665 0.000 3.124) 3.540 9.521 ( 2.521 0.000 -0.368) 2.548 9.690 ( -2.190 0.000 -3.752) 4.344 9.895 ( 2.542 0.000 -1.817) 3.125 9.994 ( -0.984 0.000 12.224) 12.263 10.097 ( -5.525 0.000 3.079) 6.325 10.480 ( -0.533 0.000 -13.276) 13.287 10.520 ( -0.728 0.000 -13.982) 14.001 11.276 ( -0.819 0.000 6.505) 6.556 11.628 ( -1.279 0.000 4.157) 4.350 11.828 ( 0.365 0.000 -5.142) 5.155 11.832 ( -1.287 0.000 -6.745) 6.866 12.348 ( 2.616 0.000 16.553) 16.758 12.620 ( 3.603 0.000 9.875) 10.512 13.067 ( 10.201 0.000 -9.677) 14.061 13.223 ( 5.144 0.000 -4.996) 7.171 13.709 ( -3.378 0.000 3.973) 5.214 13.924 ( -2.613 0.000 -7.569) 8.008 13.994 ( 0.389 0.000 -11.319) 11.326 14.182 ( -5.643 0.000 -7.844) 9.662 15.497 ( -3.468 0.000 -2.795) 4.454 15.629 ( -7.063 0.000 2.559) 7.512 15.775 ( 5.557 0.000 -0.736) 5.605 16.259 ( -15.417 0.000 -1.066) 15.453 17.058 ( 4.976 0.000 11.328) 12.372 17.161 ( -1.705 0.000 10.834) 10.967 17.928 ( 6.366 0.000 -7.335) 9.712 18.068 ( 9.572 0.000 -15.022) 17.813 20.857 ( -6.456 0.000 64.690) 65.012 21.232 ( -15.111 0.000 54.648) 56.699 23.508 ( -1.785 0.000 -21.520) 21.594 23.549 ( -1.729 0.000 -24.515) 24.576 ======================= Grid point 170 (60/90) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 0.000 7.234) 7.234 1.280 ( 0.000 0.000 -15.198) 15.198 1.589 ( -0.003 0.000 3.240) 3.240 1.589 ( 0.003 0.000 -16.685) 16.685 1.898 ( 0.000 0.000 -6.285) 6.285 1.936 ( 0.000 0.000 -10.047) 10.047 2.226 ( 0.000 0.000 3.977) 3.977 2.259 ( 0.000 0.000 5.465) 5.465 2.451 ( 0.000 0.000 0.479) 0.479 2.462 ( -0.000 0.000 4.435) 4.435 2.481 ( -0.000 0.000 0.538) 0.538 2.493 ( 0.000 0.000 3.047) 3.047 2.972 ( 0.000 0.000 8.617) 8.617 3.065 ( 0.000 0.000 -2.555) 2.555 3.118 ( 0.000 0.000 11.153) 11.153 3.315 ( 0.000 0.000 15.244) 15.244 3.472 ( 0.000 0.000 6.573) 6.573 3.559 ( 0.000 0.000 1.255) 1.255 3.700 ( 0.000 0.000 3.083) 3.083 3.706 ( 0.000 0.000 1.813) 1.813 3.787 ( 0.000 0.000 3.766) 3.766 3.892 ( 0.000 0.000 3.472) 3.472 3.906 ( -0.000 0.000 0.972) 0.972 4.035 ( 0.000 0.000 -4.691) 4.691 4.249 ( 0.000 0.000 4.194) 4.194 4.338 ( 0.000 0.000 21.397) 21.397 4.470 ( -0.000 0.000 14.356) 14.356 4.518 ( 0.000 0.000 0.697) 0.697 4.624 ( 0.000 0.000 -8.796) 8.796 4.757 ( 0.000 0.000 -6.771) 6.771 5.172 ( 0.000 0.000 6.685) 6.685 5.337 ( 0.000 0.000 4.724) 4.724 5.522 ( 0.000 0.000 -4.116) 4.116 5.571 ( 0.000 0.000 0.318) 0.318 5.719 ( 0.000 0.000 4.281) 4.281 5.847 ( 0.000 0.000 3.826) 3.826 5.899 ( 0.000 0.000 -8.020) 8.020 6.162 ( 0.000 0.000 3.386) 3.386 6.189 ( 0.000 0.000 -9.749) 9.749 6.351 ( 0.000 0.000 -9.014) 9.014 6.921 ( 0.000 0.000 21.564) 21.564 6.981 ( -0.000 0.000 23.070) 23.070 7.682 ( 0.000 0.000 2.734) 2.734 7.899 ( 0.000 0.000 12.066) 12.066 7.974 ( 0.000 0.000 -6.939) 6.939 8.088 ( 0.000 0.000 -2.240) 2.240 8.313 ( 0.000 0.000 3.964) 3.964 8.459 ( 0.000 0.000 1.854) 1.854 8.674 ( 0.000 0.000 -6.624) 6.624 8.690 ( 0.000 0.000 11.343) 11.343 8.938 ( 0.000 0.000 -10.505) 10.505 8.999 ( 0.000 0.000 -16.213) 16.213 9.190 ( 0.000 0.000 2.973) 2.973 9.556 ( 0.000 0.000 3.444) 3.444 9.658 ( -0.000 0.000 -7.914) 7.914 9.937 ( 0.000 0.000 -4.159) 4.159 10.000 ( 0.000 0.000 7.940) 7.940 10.010 ( -0.000 0.000 11.323) 11.323 10.475 ( 0.000 0.000 -13.148) 13.148 10.513 ( 0.000 0.000 -13.797) 13.797 11.268 ( 0.000 0.000 6.190) 6.190 11.614 ( 0.000 0.000 5.287) 5.287 11.819 ( 0.000 0.000 -7.451) 7.451 11.832 ( 0.000 0.000 -5.097) 5.097 12.374 ( 0.000 0.000 16.903) 16.903 12.657 ( 0.000 0.000 10.849) 10.849 13.173 ( 0.000 0.000 -11.401) 11.401 13.274 ( 0.000 0.000 -4.496) 4.496 13.676 ( 0.000 0.000 3.556) 3.556 13.898 ( 0.000 0.000 -6.468) 6.468 13.999 ( 0.000 0.000 -11.819) 11.819 14.130 ( 0.000 0.000 -10.114) 10.114 15.460 ( 0.000 0.000 -0.969) 0.969 15.555 ( -0.000 0.000 1.688) 1.688 15.913 ( -0.000 0.000 -1.867) 1.867 16.003 ( 0.000 0.000 0.069) 0.069 17.113 ( 0.000 0.000 11.223) 11.223 17.153 ( 0.000 0.000 13.027) 13.027 17.993 ( 0.000 0.000 -7.257) 7.257 18.165 ( 0.000 0.000 -16.092) 16.092 20.792 ( 0.000 0.000 64.802) 64.802 21.082 ( 0.000 0.000 56.882) 56.882 23.490 ( 0.000 0.000 -22.186) 22.186 23.532 ( 0.000 0.000 -24.336) 24.336 ======================= Grid point 176 (61/90) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 3.658 23.226) 23.512 1.585 ( 0.000 6.723 17.518) 18.764 1.723 ( 0.000 -4.069 15.476) 16.002 1.843 ( 0.000 -3.781 10.024) 10.714 1.978 ( 0.000 1.966 2.613) 3.270 2.159 ( 0.000 -6.133 2.484) 6.617 2.164 ( 0.000 11.385 7.091) 13.413 2.334 ( 0.000 1.137 -0.988) 1.506 2.433 ( 0.000 -2.831 -2.438) 3.736 2.628 ( 0.000 -8.514 0.580) 8.534 2.636 ( 0.000 5.021 0.983) 5.116 2.900 ( 0.000 -8.662 5.207) 10.106 2.923 ( 0.000 3.313 3.110) 4.544 2.983 ( 0.000 0.658 -2.208) 2.304 3.051 ( 0.000 1.803 -2.344) 2.957 3.168 ( 0.000 -3.108 0.470) 3.143 3.187 ( 0.000 -4.464 7.578) 8.795 3.189 ( 0.000 -3.034 15.160) 15.461 3.373 ( 0.000 4.120 4.668) 6.226 3.484 ( 0.000 -1.549 7.254) 7.418 3.719 ( 0.000 6.085 1.586) 6.288 3.915 ( 0.000 12.710 -5.140) 13.710 3.992 ( 0.000 -5.811 20.154) 20.975 4.210 ( 0.000 -0.618 9.502) 9.522 4.320 ( 0.000 -3.178 25.114) 25.314 4.386 ( 0.000 -9.184 -0.292) 9.189 4.518 ( 0.000 7.989 5.402) 9.643 4.811 ( 0.000 -5.833 9.155) 10.855 4.917 ( 0.000 4.447 -8.274) 9.393 5.016 ( 0.000 -0.097 -3.856) 3.857 5.359 ( 0.000 4.903 5.952) 7.712 5.473 ( 0.000 5.741 3.678) 6.818 5.489 ( 0.000 -2.398 7.043) 7.440 5.590 ( 0.000 -0.359 -7.703) 7.711 5.606 ( 0.000 -0.391 -2.042) 2.079 5.829 ( 0.000 -8.961 9.396) 12.984 6.018 ( 0.000 2.472 -11.414) 11.679 6.144 ( 0.000 2.552 3.162) 4.063 6.171 ( 0.000 -3.100 -5.264) 6.109 6.217 ( 0.000 -0.484 1.365) 1.448 7.012 ( 0.000 2.319 19.112) 19.252 7.101 ( 0.000 -1.620 16.287) 16.368 7.764 ( 0.000 -3.035 5.162) 5.988 7.773 ( 0.000 -4.004 4.833) 6.276 7.918 ( 0.000 4.010 -1.243) 4.198 7.974 ( 0.000 2.686 -4.255) 5.031 8.247 ( 0.000 1.456 3.302) 3.609 8.346 ( 0.000 -3.071 1.338) 3.350 8.528 ( 0.000 2.500 -3.222) 4.078 8.608 ( 0.000 -1.262 -2.323) 2.644 8.915 ( 0.000 -0.066 -11.838) 11.838 9.003 ( 0.000 -1.901 -14.172) 14.299 9.180 ( 0.000 9.393 5.296) 10.783 9.554 ( 0.000 8.806 -3.708) 9.555 9.609 ( 0.000 -10.670 6.544) 12.517 9.852 ( 0.000 -4.001 -2.337) 4.634 10.247 ( 0.000 2.404 0.909) 2.570 10.339 ( 0.000 -1.814 -1.923) 2.644 10.560 ( 0.000 0.072 -14.588) 14.588 10.568 ( 0.000 -0.315 -14.329) 14.333 11.461 ( 0.000 5.158 9.002) 10.375 11.687 ( 0.000 -4.716 1.407) 4.921 11.889 ( 0.000 1.131 -2.263) 2.530 11.929 ( 0.000 -1.285 -3.378) 3.614 12.057 ( 0.000 4.520 -0.778) 4.587 12.246 ( 0.000 -3.298 3.967) 5.159 12.462 ( 0.000 1.437 -3.830) 4.090 12.586 ( 0.000 -4.974 2.489) 5.562 14.056 ( 0.000 -0.751 6.492) 6.535 14.066 ( 0.000 -1.035 -3.055) 3.226 14.343 ( 0.000 11.776 -11.532) 16.482 15.084 ( 0.000 -23.242 -10.435) 25.477 15.501 ( 0.000 2.039 -1.570) 2.573 15.689 ( 0.000 -3.916 2.803) 4.816 15.902 ( 0.000 6.188 -8.001) 10.114 15.935 ( 0.000 1.183 0.577) 1.316 17.104 ( 0.000 22.462 1.497) 22.512 17.223 ( 0.000 4.549 -3.823) 5.942 17.422 ( 0.000 -4.394 2.089) 4.866 17.955 ( 0.000 -15.862 -8.246) 17.878 21.707 ( 0.000 21.159 56.295) 60.140 22.810 ( 0.000 -28.866 21.963) 36.271 23.747 ( 0.000 3.376 -18.511) 18.816 23.749 ( 0.000 1.320 -29.349) 29.378 ======================= Grid point 177 (62/90) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -3.873 4.608 19.829) 20.723 1.625 ( 2.802 7.080 15.888) 17.618 1.722 ( -1.117 -4.667 12.660) 13.539 1.876 ( 2.920 -2.450 9.303) 10.054 1.970 ( -0.954 0.663 4.547) 4.693 2.145 ( -0.416 -1.239 3.852) 4.068 2.174 ( 0.303 4.478 4.502) 6.358 2.282 ( -4.546 0.029 -0.051) 4.546 2.375 ( -5.267 -2.658 -2.474) 6.397 2.607 ( -2.620 0.535 1.864) 3.260 2.627 ( 0.259 -1.785 1.144) 2.136 2.848 ( -3.216 -7.155 0.936) 7.900 2.964 ( 3.464 2.211 1.223) 4.287 2.988 ( -0.959 1.990 1.240) 2.533 3.084 ( 3.262 2.375 -3.156) 5.122 3.176 ( -0.140 -3.778 5.718) 6.855 3.204 ( 1.484 -5.362 10.325) 11.729 3.215 ( 2.801 -1.833 9.415) 9.992 3.382 ( 0.647 2.780 4.602) 5.415 3.499 ( 1.829 -2.113 6.395) 6.979 3.716 ( -0.037 6.544 0.810) 6.594 3.893 ( -1.880 12.026 -4.612) 13.016 4.005 ( 1.128 -6.035 18.483) 19.476 4.199 ( -1.077 -1.006 8.868) 8.989 4.315 ( -0.561 -3.029 23.839) 24.037 4.363 ( -1.798 -8.000 1.880) 8.412 4.513 ( -0.572 7.523 4.967) 9.033 4.791 ( -2.133 -5.398 8.213) 10.057 4.889 ( -2.981 4.137 -8.104) 9.575 4.977 ( -3.446 -0.135 -3.857) 5.173 5.375 ( 0.161 6.997 6.128) 9.303 5.499 ( 3.380 1.368 2.894) 4.655 5.522 ( 2.839 -1.933 6.108) 7.007 5.580 ( -1.547 -0.579 -6.199) 6.416 5.592 ( -0.221 0.546 -2.323) 2.397 5.791 ( -3.830 -7.972 9.643) 13.085 6.035 ( 1.361 2.491 -10.219) 10.606 6.118 ( -1.945 3.859 2.536) 5.011 6.180 ( 0.317 -2.719 -1.037) 2.927 6.233 ( 1.751 -1.917 -3.986) 4.757 6.996 ( -1.425 2.115 19.642) 19.807 7.081 ( -1.923 -1.585 16.686) 16.871 7.756 ( -0.135 -1.984 5.131) 5.503 7.810 ( 2.731 -4.784 3.830) 6.709 7.906 ( -0.853 4.561 1.312) 4.822 7.989 ( 1.274 1.534 -4.507) 4.928 8.263 ( 1.681 1.834 3.287) 4.123 8.382 ( 3.055 -3.756 0.416) 4.859 8.518 ( -0.559 3.108 -2.507) 4.032 8.617 ( 0.751 -1.493 -1.288) 2.110 8.911 ( -0.372 0.101 -12.247) 12.253 9.002 ( -0.141 -1.895 -14.291) 14.417 9.185 ( 0.496 9.320 4.961) 10.570 9.543 ( -0.968 6.178 -1.773) 6.500 9.621 ( 1.040 -8.149 4.387) 9.313 9.845 ( -0.645 -4.030 -2.146) 4.611 10.213 ( -3.183 2.986 1.838) 4.736 10.324 ( -1.759 -2.200 -1.544) 3.212 10.554 ( -0.773 0.135 -14.142) 14.164 10.562 ( -0.500 -0.272 -14.824) 14.835 11.438 ( -2.100 5.273 8.772) 10.449 11.675 ( -1.147 -4.875 1.513) 5.232 11.860 ( -1.972 1.137 -4.161) 4.743 11.916 ( -1.419 -1.688 -3.912) 4.491 12.109 ( 4.526 3.744 5.042) 7.741 12.293 ( 4.171 -4.801 2.130) 6.707 12.481 ( 3.509 4.137 -0.999) 5.516 12.674 ( 7.642 -5.379 -0.995) 9.398 14.014 ( -3.894 -0.144 4.778) 6.165 14.040 ( -2.400 -1.221 -3.453) 4.379 14.296 ( -4.495 10.452 -11.140) 15.923 14.915 ( -14.720 -16.658 -7.929) 23.601 15.509 ( 0.738 0.847 -1.404) 1.798 15.719 ( 1.965 -3.645 4.579) 6.174 15.937 ( 4.423 5.489 -7.485) 10.282 16.074 ( 10.348 -0.381 -0.312) 10.359 17.063 ( -3.705 18.611 3.260) 19.254 17.300 ( 7.678 3.373 -5.402) 9.975 17.462 ( 4.216 -2.923 -0.201) 5.134 17.847 ( -10.547 -13.918 -7.222) 18.897 21.614 ( -9.108 19.051 57.391) 61.152 22.596 ( -20.724 -24.937 28.240) 42.999 23.708 ( -3.344 2.734 -18.527) 19.024 23.723 ( -2.553 0.933 -27.961) 28.093 ======================= Grid point 178 (63/90) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -5.961 4.629 13.911) 15.826 1.602 ( -7.548 -4.056 10.097) 13.243 1.720 ( 2.946 7.633 8.429) 11.747 1.892 ( -3.199 3.665 4.542) 6.655 1.978 ( 3.190 -1.295 8.881) 9.525 2.138 ( -2.463 0.950 0.344) 2.662 2.160 ( -0.157 -6.857 0.964) 6.926 2.220 ( -3.117 -3.122 0.654) 4.460 2.260 ( -3.376 0.932 -0.672) 3.566 2.538 ( -4.266 -4.468 1.432) 6.341 2.641 ( 0.520 2.534 1.386) 2.934 2.792 ( -2.910 -5.445 -3.500) 7.097 2.948 ( -2.275 4.874 5.365) 7.597 3.078 ( 7.142 2.140 0.232) 7.460 3.113 ( 0.089 3.646 0.448) 3.674 3.187 ( 1.601 -3.457 5.462) 6.659 3.242 ( 3.415 -3.198 8.291) 9.520 3.283 ( 3.763 -1.231 13.041) 13.629 3.387 ( 0.115 1.182 3.825) 4.005 3.555 ( 3.257 -4.132 3.895) 6.546 3.730 ( 1.630 6.026 -0.829) 6.297 3.859 ( -1.232 10.191 -2.807) 10.642 4.027 ( 0.938 -6.754 13.761) 15.358 4.168 ( -2.196 -2.818 6.275) 7.221 4.295 ( -1.262 -2.287 17.644) 17.837 4.347 ( 0.330 -3.728 11.838) 12.415 4.490 ( -1.880 5.935 3.550) 7.167 4.730 ( -4.076 -4.533 6.830) 9.155 4.801 ( -5.671 4.286 -7.806) 10.558 4.909 ( -3.291 -1.083 -4.124) 5.386 5.342 ( -3.032 6.303 7.285) 10.099 5.516 ( -3.528 -1.357 -5.417) 6.606 5.550 ( -0.006 -0.823 -1.544) 1.750 5.611 ( 4.235 -1.038 4.789) 6.477 5.637 ( 5.489 0.274 1.295) 5.647 5.698 ( -4.731 -4.867 8.494) 10.873 6.025 ( -2.695 2.907 -0.501) 3.996 6.120 ( 2.501 4.994 -7.081) 9.019 6.172 ( -1.048 -3.207 2.503) 4.201 6.280 ( 2.614 -2.508 -8.795) 9.512 6.965 ( -1.561 1.593 20.911) 21.030 7.035 ( -2.544 -1.382 18.045) 18.275 7.752 ( -0.387 0.295 3.915) 3.945 7.866 ( 2.641 -5.169 0.720) 5.849 7.897 ( 0.167 3.994 6.466) 7.602 8.016 ( 1.375 -0.522 -2.861) 3.216 8.309 ( 2.770 2.090 2.499) 4.276 8.416 ( -0.465 -1.737 -1.250) 2.190 8.541 ( 3.375 0.944 -0.118) 3.507 8.639 ( 1.825 -1.432 0.790) 2.451 8.900 ( -0.760 0.557 -13.058) 13.092 8.997 ( -0.433 -1.912 -14.312) 14.446 9.201 ( 1.125 8.921 4.105) 9.884 9.523 ( -0.993 3.100 0.249) 3.265 9.645 ( 1.386 -5.251 1.586) 5.658 9.832 ( -0.527 -3.929 -1.675) 4.303 10.140 ( -4.004 3.608 4.054) 6.744 10.268 ( -3.864 -2.610 -0.454) 4.685 10.531 ( -1.371 0.481 -13.947) 14.022 10.550 ( -0.768 -0.400 -14.903) 14.928 11.391 ( -2.497 5.273 8.130) 10.007 11.644 ( -1.985 -5.329 2.299) 6.134 11.832 ( -0.830 0.797 -5.195) 5.321 11.882 ( -1.799 -1.836 -4.702) 5.359 12.209 ( 5.416 3.094 10.886) 12.546 12.383 ( 4.826 -5.545 4.199) 8.465 12.624 ( 10.647 5.735 -2.724) 12.396 12.849 ( 9.780 -5.448 -3.605) 11.761 13.923 ( -4.987 1.203 3.051) 5.968 13.989 ( -2.475 -1.861 -5.824) 6.596 14.187 ( -6.164 8.345 -10.698) 14.902 14.601 ( -16.083 -8.770 -5.375) 19.091 15.523 ( 0.494 -0.565 -1.091) 1.324 15.735 ( -0.969 -3.993 7.109) 8.211 15.994 ( 0.145 9.488 -8.133) 12.498 16.282 ( 9.778 -3.451 1.105) 10.428 16.993 ( -2.508 10.817 7.205) 13.237 17.445 ( -2.052 -8.151 -4.392) 9.484 17.585 ( 8.701 0.079 -5.852) 10.486 17.641 ( -1.221 -1.429 -6.401) 6.672 21.382 ( -13.775 14.096 59.772) 62.938 22.088 ( -28.935 -16.824 40.887) 52.840 23.636 ( -3.840 1.564 -19.040) 19.487 23.660 ( -3.580 0.158 -26.111) 26.356 ======================= Grid point 179 (64/90) ======================= q-point: ( 0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -5.199 1.462 5.951) 8.037 1.421 ( -9.471 -5.054 8.054) 13.420 1.729 ( -3.561 9.590 3.418) 10.786 1.839 ( -0.842 6.423 -4.804) 8.065 1.992 ( -5.920 2.831 -0.692) 6.598 2.048 ( -3.209 -2.088 -2.977) 4.849 2.141 ( -0.346 -5.983 3.901) 7.151 2.213 ( 4.647 -8.349 3.616) 10.216 2.285 ( 2.561 0.051 3.831) 4.608 2.449 ( -4.522 -7.745 0.988) 9.022 2.622 ( -2.533 3.750 0.078) 4.526 2.700 ( -6.902 -0.067 -7.962) 10.538 2.911 ( -0.760 2.516 9.911) 10.253 3.088 ( -1.043 -0.655 7.610) 7.709 3.220 ( 0.820 4.543 2.818) 5.408 3.261 ( 8.237 2.574 1.753) 8.807 3.320 ( 4.424 -0.058 7.058) 8.330 3.382 ( 5.903 -1.089 11.058) 12.582 3.415 ( 4.721 -1.699 3.613) 6.183 3.606 ( 2.127 -5.272 1.276) 5.827 3.776 ( 2.720 4.386 -0.062) 5.161 3.851 ( 0.363 7.854 -0.329) 7.869 4.037 ( 0.058 -6.712 7.531) 10.088 4.112 ( -3.552 -3.787 3.254) 6.127 4.279 ( -0.308 2.446 17.846) 18.016 4.364 ( 1.044 -1.222 14.976) 15.062 4.445 ( -2.526 2.365 3.284) 4.771 4.637 ( -5.294 -4.393 5.821) 9.012 4.697 ( -4.336 4.656 -8.101) 10.301 4.845 ( -3.411 -2.224 -5.093) 6.521 5.276 ( -3.441 4.102 7.848) 9.501 5.428 ( -5.119 -2.458 -0.623) 5.713 5.539 ( -0.705 0.305 -2.803) 2.906 5.606 ( -2.741 -2.918 3.455) 5.288 5.697 ( 2.749 1.205 4.806) 5.667 5.751 ( 5.118 -1.392 -0.165) 5.307 5.967 ( -2.796 3.461 0.663) 4.498 6.143 ( -1.400 -3.969 2.042) 4.678 6.179 ( 2.774 4.575 -8.729) 10.238 6.323 ( 1.738 -1.778 -9.446) 9.768 6.941 ( -0.852 1.035 21.941) 21.982 6.992 ( -1.656 -1.063 20.282) 20.378 7.741 ( -0.709 2.731 2.601) 3.838 7.901 ( 1.046 0.535 2.837) 3.070 7.913 ( 1.145 -2.487 4.441) 5.217 8.040 ( 1.114 -2.350 -0.116) 2.603 8.359 ( 2.193 0.569 1.609) 2.779 8.384 ( -2.124 0.716 -0.139) 2.246 8.611 ( 3.174 -0.435 0.882) 3.323 8.698 ( 3.971 -0.532 1.654) 4.334 8.885 ( -0.667 0.664 -13.264) 13.297 8.985 ( -0.795 -2.067 -13.818) 13.995 9.226 ( 1.384 7.884 3.004) 8.550 9.508 ( -0.568 -0.185 1.779) 1.877 9.672 ( 1.326 -1.880 -1.464) 2.727 9.832 ( 0.805 -3.531 -1.434) 3.896 10.066 ( -3.418 3.109 6.862) 8.273 10.179 ( -5.116 -2.498 1.300) 5.840 10.506 ( -1.162 0.770 -13.836) 13.906 10.533 ( -0.938 -0.482 -14.501) 14.539 11.347 ( -1.876 4.977 7.291) 9.025 11.602 ( -2.165 -5.891 3.824) 7.350 11.825 ( 0.081 0.417 -5.441) 5.457 11.851 ( -1.359 -1.097 -5.759) 6.018 12.311 ( 4.839 3.336 13.773) 14.974 12.481 ( 5.180 -4.814 8.110) 10.760 12.863 ( 13.034 4.090 -5.725) 14.812 13.039 ( 9.361 -4.451 -4.781) 11.415 13.831 ( -4.400 3.046 1.625) 5.593 13.949 ( -1.816 -2.557 -7.206) 7.859 14.079 ( -4.479 6.395 -10.526) 13.106 14.326 ( -11.596 -4.137 -5.725) 13.578 15.521 ( -0.674 -1.179 -1.589) 2.090 15.675 ( -4.629 -5.191 7.240) 10.039 15.939 ( -5.054 13.336 -6.311) 15.595 16.379 ( -2.168 -7.115 -0.762) 7.477 16.992 ( 2.487 4.156 10.604) 11.658 17.227 ( -10.042 -6.603 4.847) 12.958 17.791 ( 9.956 2.243 -7.927) 12.923 17.830 ( 13.679 0.489 -11.482) 17.866 21.114 ( -12.851 9.003 61.946) 63.903 21.554 ( -24.497 -9.980 50.738) 57.219 23.566 ( -3.224 0.917 -20.690) 20.960 23.593 ( -3.131 -0.336 -24.679) 24.879 ======================= Grid point 180 (65/90) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -1.804 -2.731 -0.697) 3.346 1.273 ( -5.064 -4.332 3.011) 7.313 1.653 ( -2.864 7.699 -4.021) 9.146 1.776 ( -5.783 6.073 -7.015) 10.933 1.843 ( -6.482 -2.845 -8.140) 10.788 2.052 ( 2.871 4.856 -1.682) 5.887 2.155 ( 0.078 -7.522 5.240) 9.168 2.284 ( 0.424 -1.608 2.013) 2.610 2.342 ( 4.107 -4.290 6.527) 8.825 2.398 ( 0.023 -4.827 0.844) 4.901 2.549 ( -4.948 2.731 -2.646) 6.240 2.570 ( -4.758 2.077 -2.937) 5.965 2.911 ( 0.288 -0.674 8.806) 8.836 3.069 ( -0.873 -4.469 10.247) 11.213 3.212 ( -0.958 9.055 0.260) 9.109 3.329 ( 1.168 2.105 12.667) 12.894 3.422 ( 2.734 -2.238 6.203) 7.138 3.490 ( 7.164 2.132 0.741) 7.511 3.557 ( 5.035 -4.599 1.528) 6.988 3.662 ( 4.372 -4.283 1.602) 6.327 3.826 ( 2.465 5.155 4.037) 6.996 3.870 ( 1.571 5.684 0.929) 5.970 4.027 ( -3.922 -1.367 6.056) 7.343 4.037 ( -1.159 -3.314 -2.373) 4.237 4.280 ( 0.357 4.556 14.053) 14.777 4.362 ( -1.735 1.284 12.214) 12.404 4.417 ( 0.301 -3.201 11.215) 11.667 4.535 ( -4.763 -4.413 4.009) 7.631 4.645 ( -1.066 3.231 -8.270) 8.943 4.777 ( -3.236 -2.419 -6.256) 7.447 5.218 ( -2.255 2.765 7.057) 7.907 5.342 ( -3.283 -2.716 3.617) 5.589 5.529 ( -0.331 0.448 -3.207) 3.255 5.569 ( -1.146 -1.393 0.950) 2.038 5.734 ( 1.052 1.968 3.179) 3.884 5.823 ( 2.309 -1.990 -1.421) 3.363 5.924 ( -1.594 3.343 -0.030) 3.704 6.119 ( -0.949 -4.880 2.567) 5.595 6.223 ( 1.600 4.607 -9.836) 10.979 6.346 ( 0.652 -0.902 -9.232) 9.298 6.931 ( -0.284 0.801 22.086) 22.102 6.973 ( -0.378 -0.982 22.394) 22.419 7.729 ( -0.415 4.060 2.115) 4.597 7.917 ( 0.569 2.151 7.938) 8.244 7.928 ( 0.380 -4.115 -1.122) 4.282 8.056 ( 0.512 -3.029 0.957) 3.218 8.346 ( -1.575 1.335 1.290) 2.435 8.390 ( 1.037 -2.309 2.036) 3.249 8.665 ( 2.352 1.210 -1.958) 3.291 8.759 ( 1.561 2.858 3.281) 4.623 8.889 ( 1.430 -1.784 -12.430) 12.639 8.965 ( -1.343 -2.311 -12.674) 12.953 9.249 ( 0.886 6.445 1.981) 6.801 9.501 ( -0.148 -3.820 3.313) 5.059 9.694 ( 0.875 2.334 -5.217) 5.782 9.866 ( 2.591 -3.242 -2.702) 4.952 10.012 ( -2.011 1.574 9.997) 10.318 10.077 ( -5.117 -1.837 4.240) 6.894 10.489 ( -0.545 0.830 -13.599) 13.635 10.516 ( -0.683 -0.429 -14.061) 14.084 11.320 ( -0.958 4.616 6.572) 8.088 11.565 ( -1.498 -6.202 5.210) 8.237 11.828 ( -0.253 0.041 -6.285) 6.290 11.832 ( -0.233 -0.063 -6.027) 6.031 12.389 ( 2.947 4.008 15.436) 16.218 12.572 ( 3.684 -4.599 10.862) 12.358 13.093 ( 9.567 2.409 -8.462) 12.997 13.195 ( 6.149 -2.649 -5.243) 8.504 13.756 ( -3.042 4.542 1.483) 5.664 13.912 ( -1.881 -2.043 -6.015) 6.625 14.023 ( -1.306 3.435 -11.134) 11.725 14.162 ( -5.191 -2.241 -8.414) 10.137 15.500 ( -1.418 0.576 -1.522) 2.159 15.586 ( -3.756 -3.558 2.957) 5.960 15.856 ( -1.497 7.836 -2.345) 8.315 16.193 ( -14.058 -6.930 -2.045) 15.806 17.066 ( 4.067 1.032 11.795) 12.519 17.140 ( -0.548 -2.081 11.379) 11.581 17.960 ( 6.678 3.111 -8.344) 11.131 18.059 ( 8.937 -1.128 -13.757) 16.444 20.910 ( -7.621 5.545 63.220) 63.919 21.175 ( -13.728 -5.874 56.131) 58.084 23.515 ( -1.840 0.721 -22.057) 22.145 23.544 ( -1.790 -0.541 -24.162) 24.234 ======================= Grid point 181 (66/90) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 -4.259 6.504) 7.775 1.234 ( 0.000 -4.080 -10.605) 11.363 1.630 ( 0.000 3.599 -14.718) 15.152 1.700 ( 0.000 9.537 2.159) 9.778 1.773 ( 0.000 -5.219 -8.133) 9.664 2.116 ( 0.000 10.433 -5.503) 11.795 2.125 ( -0.000 -9.863 3.971) 10.633 2.280 ( 0.000 1.216 2.343) 2.640 2.396 ( 0.000 -4.938 7.858) 9.281 2.407 ( -0.000 -3.393 1.877) 3.877 2.504 ( -0.000 1.113 -3.053) 3.249 2.507 ( 0.000 0.792 -1.468) 1.668 2.915 ( 0.000 -1.533 8.148) 8.291 3.059 ( 0.000 -5.699 10.991) 12.380 3.201 ( 0.000 10.185 -0.755) 10.213 3.340 ( 0.000 2.297 14.315) 14.498 3.447 ( 0.000 -2.280 7.819) 8.144 3.579 ( 0.000 -7.952 -3.137) 8.549 3.586 ( -0.000 2.674 1.342) 2.992 3.722 ( 0.000 -3.688 1.396) 3.944 3.858 ( 0.000 7.419 6.406) 9.802 3.918 ( 0.000 2.308 2.687) 3.542 3.942 ( -0.000 2.985 2.761) 4.066 4.032 ( 0.000 -0.643 -2.640) 2.717 4.288 ( 0.000 3.882 3.331) 5.115 4.334 ( 0.000 0.075 20.752) 20.752 4.429 ( 0.000 -3.895 15.288) 15.776 4.479 ( 0.000 -4.181 1.181) 4.345 4.640 ( 0.000 1.886 -8.310) 8.522 4.739 ( 0.000 -1.964 -6.729) 7.010 5.195 ( 0.000 2.398 6.402) 6.836 5.309 ( 0.000 -2.725 4.946) 5.647 5.526 ( 0.000 0.414 -3.187) 3.214 5.558 ( 0.000 -1.139 0.403) 1.208 5.743 ( 0.000 2.273 2.363) 3.279 5.845 ( 0.000 -2.160 -1.887) 2.868 5.908 ( 0.000 3.287 -0.261) 3.298 6.109 ( 0.000 -5.108 2.819) 5.834 6.239 ( 0.000 4.493 -10.178) 11.126 6.352 ( 0.000 -0.516 -9.040) 9.055 6.928 ( 0.000 0.793 22.062) 22.076 6.971 ( 0.000 -1.043 23.095) 23.119 7.725 ( 0.000 4.433 2.026) 4.874 7.923 ( 0.000 2.333 9.390) 9.676 7.931 ( 0.000 -4.237 -2.659) 5.002 8.061 ( 0.000 -3.036 0.972) 3.188 8.330 ( 0.000 1.493 1.847) 2.375 8.401 ( 0.000 -3.751 2.551) 4.537 8.692 ( 0.000 2.112 -6.406) 6.745 8.768 ( 0.000 4.949 6.133) 7.881 8.925 ( -0.000 -5.256 -13.619) 14.598 8.935 ( 0.000 -0.502 -9.844) 9.857 9.258 ( 0.000 5.723 1.539) 5.927 9.500 ( -0.000 -5.662 4.121) 7.003 9.703 ( 0.000 4.661 -7.404) 8.749 9.908 ( 0.000 -3.707 -7.008) 7.928 10.001 ( 0.001 0.017 8.347) 8.347 10.001 ( -0.001 -0.355 12.605) 12.610 10.484 ( 0.000 0.798 -13.458) 13.482 10.509 ( 0.000 -0.374 -13.880) 13.885 11.310 ( 0.000 4.458 6.288) 7.708 11.550 ( 0.000 -6.248 5.732) 8.479 11.822 ( 0.000 0.301 -7.224) 7.230 11.833 ( 0.000 -0.035 -5.542) 5.543 12.418 ( 0.000 4.358 16.067) 16.647 12.610 ( 0.000 -4.586 11.870) 12.726 13.193 ( 0.000 1.764 -10.063) 10.217 13.258 ( 0.000 -1.551 -5.424) 5.641 13.724 ( 0.000 4.802 1.886) 5.159 13.890 ( 0.000 -1.705 -4.617) 4.922 14.014 ( 0.000 1.997 -11.644) 11.814 14.114 ( 0.000 -1.765 -10.005) 10.159 15.482 ( 0.000 2.115 -1.396) 2.534 15.546 ( 0.000 -0.870 0.610) 1.063 15.905 ( -0.000 -0.416 -1.618) 1.671 15.973 ( 0.000 -3.011 -0.412) 3.039 17.112 ( 0.000 0.103 11.879) 11.879 17.141 ( 0.000 -1.098 13.106) 13.152 18.028 ( 0.000 3.484 -8.391) 9.085 18.150 ( 0.000 -1.758 -14.605) 14.711 20.834 ( 0.000 4.335 63.572) 63.720 21.039 ( 0.000 -4.488 57.980) 58.154 23.497 ( 0.000 0.686 -22.562) 22.573 23.527 ( 0.000 -0.590 -24.078) 24.086 ======================= Grid point 187 (67/90) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 -5.319 19.568) 20.278 1.633 ( 0.000 5.319 19.568) 20.278 1.732 ( 0.000 -8.078 13.969) 16.136 1.732 ( 0.000 8.078 13.969) 16.136 2.043 ( 0.000 -5.276 1.901) 5.608 2.043 ( 0.000 5.276 1.901) 5.608 2.368 ( 0.000 -4.628 0.970) 4.729 2.368 ( 0.000 4.628 0.970) 4.729 2.420 ( 0.000 -12.789 -0.694) 12.807 2.420 ( 0.000 12.789 -0.694) 12.807 2.746 ( 0.000 -7.104 1.520) 7.264 2.746 ( 0.000 7.104 1.520) 7.264 2.981 ( 0.000 -1.727 -0.211) 1.740 2.981 ( 0.000 1.727 -0.211) 1.740 3.104 ( 0.000 -3.775 -2.562) 4.562 3.104 ( 0.000 3.775 -2.562) 4.562 3.141 ( 0.000 -0.678 17.389) 17.402 3.141 ( 0.000 0.678 17.389) 17.402 3.440 ( 0.000 -3.194 5.730) 6.561 3.440 ( 0.000 3.194 5.730) 6.561 3.862 ( 0.000 -8.139 7.876) 11.326 3.862 ( 0.000 8.139 7.876) 11.326 4.145 ( 0.000 -10.953 -3.598) 11.528 4.145 ( 0.000 10.953 -3.598) 11.528 4.267 ( 0.000 -1.065 19.913) 19.941 4.267 ( 0.000 1.065 19.913) 19.941 4.675 ( 0.000 -8.536 8.534) 12.071 4.675 ( 0.000 8.536 8.534) 12.071 4.990 ( 0.000 -2.941 -6.087) 6.760 4.990 ( 0.000 2.941 -6.087) 6.760 5.436 ( 0.000 -3.402 6.605) 7.429 5.436 ( 0.000 3.402 6.605) 7.429 5.581 ( 0.000 -1.278 -11.866) 11.935 5.581 ( 0.000 1.278 -11.866) 11.935 5.649 ( 0.000 -9.045 13.007) 15.843 5.649 ( 0.000 9.045 13.007) 15.843 6.088 ( 0.000 -4.866 -10.686) 11.742 6.088 ( 0.000 4.866 -10.686) 11.742 6.194 ( 0.000 -2.402 4.003) 4.669 6.194 ( 0.000 2.402 4.003) 4.669 7.060 ( 0.000 -2.683 17.471) 17.675 7.060 ( 0.000 2.683 17.471) 17.675 7.736 ( 0.000 -0.121 5.671) 5.672 7.736 ( 0.000 0.121 5.671) 5.672 7.974 ( 0.000 -1.972 -4.926) 5.306 7.974 ( 0.000 1.972 -4.926) 5.306 8.290 ( 0.000 -2.886 3.253) 4.349 8.290 ( 0.000 2.886 3.253) 4.349 8.574 ( 0.000 -2.342 -3.242) 3.999 8.574 ( 0.000 2.342 -3.242) 3.999 8.954 ( 0.000 -3.191 -12.991) 13.377 8.954 ( 0.000 3.191 -12.991) 13.377 9.384 ( 0.000 -12.685 8.669) 15.364 9.384 ( 0.000 12.685 8.669) 15.364 9.729 ( 0.000 -9.001 -2.993) 9.486 9.729 ( 0.000 9.001 -2.993) 9.486 10.296 ( 0.000 -2.697 -1.203) 2.953 10.296 ( 0.000 2.697 -1.203) 2.953 10.563 ( 0.000 -0.228 -14.504) 14.506 10.563 ( 0.000 0.228 -14.504) 14.506 11.577 ( 0.000 -6.836 5.825) 8.982 11.577 ( 0.000 6.836 5.825) 8.982 11.908 ( 0.000 -1.026 -2.390) 2.601 11.908 ( 0.000 1.026 -2.390) 2.601 12.157 ( 0.000 -5.944 0.246) 5.949 12.157 ( 0.000 5.944 0.246) 5.949 12.504 ( 0.000 -3.379 0.931) 3.505 12.504 ( 0.000 3.379 0.931) 3.505 14.051 ( 0.000 -0.340 0.892) 0.954 14.051 ( 0.000 0.340 0.892) 0.954 14.650 ( 0.000 -21.479 -13.468) 25.352 14.650 ( 0.000 21.479 -13.468) 25.352 15.595 ( 0.000 -6.033 3.254) 6.854 15.595 ( 0.000 6.033 3.254) 6.854 15.949 ( 0.000 -0.160 -2.350) 2.355 15.949 ( 0.000 0.160 -2.350) 2.355 17.320 ( 0.000 -6.204 -0.704) 6.243 17.320 ( 0.000 6.204 -0.704) 6.243 17.568 ( 0.000 -25.030 -4.904) 25.506 17.568 ( 0.000 25.030 -4.904) 25.506 22.218 ( 0.000 -32.812 42.158) 53.423 22.218 ( 0.000 32.812 42.158) 53.423 23.770 ( 0.000 -0.475 -25.216) 25.221 23.770 ( 0.000 0.475 -25.216) 25.221 ======================= Grid point 189 (68/90) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -2.805 -6.453 16.574) 18.006 1.605 ( -2.805 6.453 16.574) 18.006 1.784 ( 4.460 -7.724 14.015) 16.612 1.784 ( 4.460 7.724 14.015) 16.612 2.025 ( -1.441 -5.380 1.944) 5.899 2.025 ( -1.441 5.380 1.944) 5.899 2.295 ( -6.053 -2.120 -0.390) 6.425 2.295 ( -6.053 2.120 -0.390) 6.425 2.419 ( -1.136 -11.376 0.582) 11.448 2.419 ( -1.136 11.376 0.582) 11.448 2.736 ( -0.610 -5.903 -0.157) 5.936 2.736 ( -0.610 5.903 -0.157) 5.936 3.009 ( 2.811 -1.577 0.422) 3.250 3.009 ( 2.811 1.577 0.422) 3.250 3.106 ( -0.408 -2.284 5.679) 6.135 3.106 ( -0.408 2.284 5.679) 6.135 3.172 ( 3.248 -2.163 10.008) 10.741 3.172 ( 3.248 2.163 10.008) 10.741 3.444 ( 0.433 -3.599 4.883) 6.082 3.444 ( 0.433 3.599 4.883) 6.082 3.867 ( 0.404 -8.644 6.745) 10.972 3.867 ( 0.404 8.644 6.745) 10.972 4.112 ( -2.928 -10.695 -3.248) 11.555 4.112 ( -2.928 10.695 -3.248) 11.555 4.270 ( 0.450 -1.402 20.135) 20.188 4.270 ( 0.450 1.402 20.135) 20.188 4.664 ( -1.311 -8.088 7.783) 11.301 4.664 ( -1.311 8.088 7.783) 11.301 4.954 ( -3.396 -2.537 -5.956) 7.310 4.954 ( -3.396 2.537 -5.956) 7.310 5.479 ( 3.743 -3.008 7.095) 8.567 5.479 ( 3.743 3.008 7.095) 8.567 5.552 ( -2.650 -3.035 -8.150) 9.091 5.552 ( -2.650 3.035 -8.150) 9.091 5.641 ( -0.763 -6.388 8.809) 10.908 5.641 ( -0.763 6.388 8.809) 10.908 6.104 ( 1.087 -4.682 -8.753) 9.986 6.104 ( 1.087 4.682 -8.753) 9.986 6.188 ( -0.182 -3.323 1.862) 3.813 6.188 ( -0.182 3.323 1.862) 3.813 7.041 ( -1.760 -2.555 17.949) 18.215 7.041 ( -1.760 2.555 17.949) 18.215 7.751 ( 1.461 -1.547 5.365) 5.772 7.751 ( 1.461 1.547 5.365) 5.772 7.974 ( -0.056 -2.640 -3.336) 4.254 7.974 ( -0.056 2.640 -3.336) 4.254 8.314 ( 2.259 -3.434 2.200) 4.662 8.314 ( 2.259 3.434 2.200) 4.662 8.574 ( 0.109 -2.886 -2.623) 3.901 8.574 ( 0.109 2.886 -2.623) 3.901 8.953 ( -0.135 -3.236 -13.103) 13.497 8.953 ( -0.135 3.236 -13.103) 13.497 9.386 ( 0.252 -12.455 8.342) 14.993 9.386 ( 0.252 12.455 8.342) 14.993 9.725 ( -0.350 -8.667 -2.869) 9.136 9.725 ( -0.350 8.667 -2.869) 9.136 10.272 ( -2.398 -3.230 -0.577) 4.063 10.272 ( -2.398 3.230 -0.577) 4.063 10.557 ( -0.584 -0.244 -14.584) 14.598 10.557 ( -0.584 0.244 -14.584) 14.598 11.559 ( -1.715 -7.254 6.020) 9.582 11.559 ( -1.715 7.254 6.020) 9.582 11.885 ( -1.912 -1.586 -3.681) 4.441 11.885 ( -1.912 1.586 -3.681) 4.441 12.195 ( 3.621 -5.456 3.209) 7.292 12.195 ( 3.621 5.456 3.209) 7.292 12.570 ( 6.391 -5.489 -0.527) 8.441 12.570 ( 6.391 5.489 -0.527) 8.441 14.020 ( -2.963 -0.837 -0.063) 3.080 14.020 ( -2.963 0.837 -0.063) 3.080 14.567 ( -7.764 -18.497 -12.595) 23.687 14.567 ( -7.764 18.497 -12.595) 23.687 15.604 ( 0.718 -7.261 4.607) 8.629 15.604 ( 0.718 7.261 4.607) 8.629 16.032 ( 7.293 -4.071 -2.723) 8.785 16.032 ( 7.293 4.071 -2.723) 8.785 17.339 ( 0.133 -4.933 -1.214) 5.082 17.339 ( 0.133 4.933 -1.214) 5.082 17.525 ( -2.145 -17.619 -4.823) 18.393 17.525 ( -2.145 17.619 -4.823) 18.393 22.074 ( -14.127 -29.372 45.107) 55.650 22.074 ( -14.127 29.372 45.107) 55.650 23.734 ( -3.346 -0.182 -24.347) 24.576 23.734 ( -3.346 0.182 -24.347) 24.576 ======================= Grid point 191 (69/90) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -7.619 -6.049 12.753) 16.040 1.505 ( -7.619 6.049 12.753) 16.040 1.891 ( 6.421 -8.090 10.300) 14.587 1.891 ( 6.421 8.090 10.300) 14.587 1.994 ( -2.023 -6.648 2.366) 7.340 1.994 ( -2.023 6.648 2.366) 7.340 2.166 ( -6.817 -1.854 -2.761) 7.585 2.166 ( -6.817 1.854 -2.761) 7.585 2.370 ( -3.318 -9.460 0.346) 10.031 2.370 ( -3.318 9.460 0.346) 10.031 2.728 ( -0.728 -4.028 -1.834) 4.486 2.728 ( -0.728 4.028 -1.834) 4.486 3.055 ( -1.448 -6.118 7.312) 9.643 3.055 ( -1.448 6.118 7.312) 9.643 3.127 ( 6.394 -3.675 3.520) 8.172 3.127 ( 6.394 3.675 3.520) 8.172 3.249 ( 4.226 -2.414 7.979) 9.346 3.249 ( 4.226 2.414 7.979) 9.346 3.456 ( 0.719 -5.771 2.724) 6.422 3.456 ( 0.719 5.771 2.724) 6.422 3.875 ( 0.383 -8.742 4.721) 9.942 3.875 ( 0.383 8.742 4.721) 9.942 4.053 ( -2.702 -9.442 -2.177) 10.060 4.053 ( -2.702 9.442 -2.177) 10.060 4.288 ( 1.354 -1.927 20.347) 20.483 4.288 ( 1.354 1.927 20.347) 20.483 4.619 ( -3.308 -7.097 6.148) 9.955 4.619 ( -3.308 7.097 6.148) 9.955 4.872 ( -4.698 -3.030 -5.870) 8.106 4.872 ( -4.698 3.030 -5.870) 8.106 5.464 ( -4.888 -5.377 2.355) 7.638 5.464 ( -4.888 5.377 2.355) 7.638 5.560 ( 1.566 -2.714 1.217) 3.361 5.560 ( 1.566 2.714 1.217) 3.361 5.645 ( 2.596 -0.970 3.650) 4.583 5.645 ( 2.596 0.970 3.650) 4.583 6.097 ( -1.840 -4.513 -0.868) 4.950 6.097 ( -1.840 4.513 -0.868) 4.950 6.213 ( 2.653 -4.665 -6.423) 8.370 6.213 ( 2.653 4.665 -6.423) 8.370 7.001 ( -2.137 -2.132 19.337) 19.571 7.001 ( -2.137 2.132 19.337) 19.571 7.784 ( 1.712 -3.243 4.047) 5.462 7.784 ( 1.712 3.243 4.047) 5.462 7.973 ( 0.069 -3.659 0.352) 3.677 7.973 ( 0.069 3.659 0.352) 3.677 8.361 ( 2.054 -3.455 0.180) 4.024 8.361 ( 2.054 3.455 0.180) 4.024 8.587 ( 1.568 -3.398 -1.197) 3.929 8.587 ( 1.568 3.398 -1.197) 3.929 8.948 ( -0.400 -3.315 -13.133) 13.550 8.948 ( -0.400 3.315 -13.133) 13.550 9.392 ( 0.221 -11.486 7.376) 13.653 9.392 ( 0.221 11.486 7.376) 13.653 9.722 ( 0.182 -7.628 -2.658) 8.080 9.722 ( 0.182 7.628 -2.658) 8.080 10.209 ( -3.959 -3.690 1.043) 5.512 10.209 ( -3.959 3.690 1.043) 5.512 10.541 ( -1.003 -0.546 -14.607) 14.652 10.541 ( -1.003 0.546 -14.607) 14.652 11.517 ( -2.484 -7.805 6.331) 10.353 11.517 ( -2.484 7.805 6.331) 10.353 11.852 ( -1.311 -1.400 -5.044) 5.396 11.852 ( -1.311 1.400 -5.044) 5.396 12.284 ( 5.189 -4.966 7.462) 10.357 12.284 ( 5.189 4.966 7.462) 10.357 12.735 ( 10.202 -6.411 -2.816) 12.374 12.735 ( 10.202 6.411 -2.816) 12.374 13.953 ( -3.465 -1.956 -2.119) 4.508 13.953 ( -3.465 1.956 -2.119) 4.508 14.388 ( -9.759 -12.794 -10.871) 19.419 14.388 ( -9.759 12.794 -10.871) 19.419 15.605 ( -0.990 -7.722 5.835) 9.729 15.605 ( -0.990 7.722 5.835) 9.729 16.173 ( 5.605 -8.445 -3.328) 10.668 16.173 ( 5.605 8.445 -3.328) 10.668 17.232 ( -9.074 -13.828 2.126) 16.675 17.232 ( -9.074 13.828 2.126) 16.675 17.607 ( 9.518 -1.924 -7.353) 12.181 17.607 ( 9.518 1.924 -7.353) 12.181 21.720 ( -20.638 -21.324 51.310) 59.274 21.720 ( -20.638 21.324 51.310) 59.274 23.658 ( -4.147 -0.640 -23.168) 23.545 23.658 ( -4.147 0.640 -23.168) 23.545 ======================= Grid point 193 (70/90) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -8.452 -3.980 8.278) 12.482 1.338 ( -8.452 3.980 8.278) 12.482 1.920 ( -6.023 -7.955 -2.266) 10.232 1.920 ( -6.023 7.955 -2.266) 10.232 1.994 ( -0.811 -7.788 0.098) 7.831 1.994 ( -0.811 7.788 0.098) 7.831 2.074 ( 2.542 -4.747 3.657) 6.510 2.074 ( 2.542 4.747 3.657) 6.510 2.324 ( -0.905 -4.599 1.534) 4.932 2.324 ( -0.905 4.599 1.534) 4.932 2.684 ( -3.953 -2.217 -4.347) 6.280 2.684 ( -3.953 2.217 -4.347) 6.280 3.002 ( -2.743 -6.091 10.234) 12.221 3.002 ( -2.743 6.091 10.234) 12.221 3.297 ( 7.566 -1.185 4.578) 8.922 3.297 ( 7.566 1.185 4.578) 8.922 3.333 ( 5.386 -4.519 5.338) 8.827 3.333 ( 5.386 4.519 5.338) 8.827 3.472 ( 1.578 -7.740 1.467) 8.034 3.472 ( 1.578 7.740 1.467) 8.034 3.888 ( 1.144 -6.658 3.447) 7.584 3.888 ( 1.144 6.658 3.447) 7.584 4.014 ( -1.355 -6.565 -0.464) 6.719 4.014 ( -1.355 6.565 -0.464) 6.719 4.319 ( 1.723 -2.399 20.027) 20.244 4.319 ( 1.723 2.399 20.027) 20.244 4.537 ( -5.004 -6.080 4.244) 8.945 4.537 ( -5.004 6.080 4.244) 8.945 4.783 ( -4.193 -4.336 -6.325) 8.740 4.783 ( -4.193 4.336 -6.325) 8.740 5.362 ( -5.106 -4.651 4.634) 8.317 5.362 ( -5.106 4.651 4.634) 8.317 5.558 ( -0.803 -1.940 -0.400) 2.137 5.558 ( -0.803 1.940 -0.400) 2.137 5.722 ( 3.903 -1.547 1.816) 4.574 5.722 ( 3.903 1.547 1.816) 4.574 6.052 ( -2.338 -5.350 1.174) 5.955 6.052 ( -2.338 5.350 1.174) 5.955 6.267 ( 2.520 -4.299 -8.942) 10.236 6.267 ( 2.520 4.299 -8.942) 10.236 6.966 ( -1.307 -1.576 21.131) 21.230 6.966 ( -1.307 1.576 21.131) 21.230 7.812 ( 1.028 -4.901 1.833) 5.333 7.812 ( 1.028 4.901 1.833) 5.333 7.977 ( 0.338 -4.157 4.232) 5.942 7.977 ( 0.338 4.157 4.232) 5.942 8.379 ( -0.213 -1.209 -0.478) 1.317 8.379 ( -0.213 1.209 -0.478) 1.317 8.642 ( 3.888 -3.539 -1.028) 5.357 8.642 ( 3.888 3.539 -1.028) 5.357 8.937 ( -0.744 -3.348 -12.350) 12.817 8.937 ( -0.744 3.348 -12.350) 12.817 9.392 ( -0.271 -9.605 5.877) 11.263 9.392 ( -0.271 9.605 5.877) 11.263 9.738 ( 1.582 -6.221 -2.854) 7.025 9.738 ( 1.582 6.221 -2.854) 7.025 10.125 ( -4.466 -3.200 3.401) 6.461 10.125 ( -4.466 3.200 3.401) 6.461 10.521 ( -0.998 -0.807 -14.375) 14.432 10.521 ( -0.998 0.807 -14.375) 14.432 11.469 ( -2.250 -7.791 6.432) 10.350 11.469 ( -2.250 7.791 6.432) 10.350 11.835 ( -0.467 -0.654 -5.817) 5.872 11.835 ( -0.467 0.654 -5.817) 5.872 12.388 ( 5.276 -4.936 10.786) 12.983 12.388 ( 5.276 4.936 10.786) 12.983 12.948 ( 11.124 -5.057 -4.685) 13.087 12.948 ( 11.124 5.057 -4.685) 13.087 13.893 ( -2.665 -3.459 -3.602) 5.660 13.893 ( -2.665 3.459 -3.602) 5.660 14.213 ( -7.714 -7.588 -9.604) 14.468 14.213 ( -7.714 7.588 -9.604) 14.468 15.567 ( -2.577 -5.404 4.565) 7.529 15.567 ( -2.577 5.404 4.565) 7.529 16.190 ( -4.696 -12.968 -4.626) 14.547 16.190 ( -4.696 12.968 -4.626) 14.547 17.097 ( -3.228 -6.976 8.474) 11.441 17.097 ( -3.228 6.976 8.474) 11.441 17.825 ( 11.632 -1.184 -9.719) 15.204 17.825 ( 11.632 1.184 -9.719) 15.204 21.328 ( -18.369 -13.338 56.602) 60.985 21.328 ( -18.369 13.338 56.602) 60.985 23.583 ( -3.376 -0.818 -22.915) 23.177 23.583 ( -3.376 0.818 -22.915) 23.177 ======================= Grid point 195 (71/90) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -4.210 -1.983 2.682) 5.370 1.210 ( -4.210 1.983 2.682) 5.370 1.774 ( -7.232 -5.111 -9.211) 12.778 1.774 ( -7.232 5.111 -9.211) 12.778 1.935 ( -2.599 -10.916 1.836) 11.370 1.935 ( -2.599 10.916 1.836) 11.370 2.193 ( 6.214 -6.453 2.214) 9.228 2.193 ( 6.214 6.453 2.214) 9.228 2.331 ( 1.209 -2.285 3.121) 4.052 2.331 ( 1.209 2.285 3.121) 4.052 2.585 ( -5.561 -0.772 -5.133) 7.607 2.585 ( -5.561 0.772 -5.133) 7.607 2.963 ( -1.278 -5.514 10.419) 11.857 2.963 ( -1.278 5.514 10.419) 11.857 3.360 ( 1.168 -0.876 9.855) 9.962 3.360 ( 1.168 0.876 9.855) 9.962 3.415 ( 1.313 -6.500 -1.534) 6.806 3.415 ( 1.313 6.500 -1.534) 6.806 3.572 ( 7.033 -4.515 1.856) 8.561 3.572 ( 7.033 4.515 1.856) 8.561 3.921 ( 2.036 -3.576 2.752) 4.950 3.921 ( 2.036 3.576 2.752) 4.950 3.996 ( -0.422 -2.096 1.544) 2.638 3.996 ( -0.422 2.096 1.544) 2.638 4.348 ( 1.126 -2.921 19.110) 19.365 4.348 ( 1.126 2.921 19.110) 19.365 4.436 ( -4.842 -5.505 2.585) 7.774 4.436 ( -4.842 5.505 2.585) 7.774 4.716 ( -2.576 -4.057 -6.998) 8.489 4.716 ( -2.576 4.057 -6.998) 8.489 5.280 ( -3.017 -3.689 5.507) 7.283 5.280 ( -3.017 3.689 5.507) 7.283 5.544 ( -0.553 -1.201 -1.013) 1.666 5.544 ( -0.553 1.201 -1.013) 1.666 5.777 ( 1.683 -2.622 0.051) 3.116 5.777 ( 1.683 2.622 0.051) 3.116 6.015 ( -1.366 -5.937 1.887) 6.377 6.015 ( -1.366 5.937 1.887) 6.377 6.305 ( 1.274 -3.674 -9.667) 10.420 6.305 ( 1.274 3.674 -9.667) 10.420 6.951 ( -0.368 -1.304 22.435) 22.476 6.951 ( -0.368 1.304 22.435) 22.476 7.825 ( 0.355 -5.938 0.220) 5.952 7.825 ( 0.355 5.938 0.220) 5.952 7.985 ( 0.338 -4.299 6.513) 7.811 7.985 ( 0.338 4.299 6.513) 7.811 8.365 ( -0.799 -0.784 0.260) 1.149 8.365 ( -0.799 0.784 0.260) 1.149 8.719 ( 3.443 -4.303 -2.966) 6.258 8.719 ( 3.443 4.303 -2.966) 6.258 8.921 ( -0.861 -3.035 -10.214) 10.690 8.921 ( -0.861 3.035 -10.214) 10.690 9.383 ( -0.524 -7.796 4.314) 8.926 9.383 ( -0.524 7.796 4.314) 8.926 9.780 ( 2.379 -5.731 -4.504) 7.668 9.780 ( 2.379 5.731 -4.504) 7.668 10.043 ( -3.713 -1.782 6.811) 7.959 10.043 ( -3.713 1.782 6.811) 7.959 10.505 ( -0.596 -0.815 -14.029) 14.065 10.505 ( -0.596 0.815 -14.029) 14.065 11.433 ( -1.324 -7.393 6.335) 9.826 11.433 ( -1.324 7.393 6.335) 9.826 11.830 ( -0.118 -0.128 -6.308) 6.311 11.830 ( -0.118 0.128 -6.308) 6.311 12.477 ( 3.519 -5.331 13.182) 14.648 12.477 ( 3.519 5.331 13.182) 14.648 13.142 ( 8.008 -2.871 -6.468) 10.687 13.142 ( 8.008 2.871 -6.468) 10.687 13.847 ( -2.071 -4.749 -2.892) 5.934 13.847 ( -2.071 4.749 -2.892) 5.934 14.101 ( -3.675 -4.294 -9.766) 11.283 14.101 ( -3.675 4.294 -9.766) 11.283 15.527 ( -1.056 -2.513 1.248) 2.998 15.527 ( -1.056 2.513 1.248) 2.998 16.029 ( -9.457 -10.187 -3.136) 14.249 16.029 ( -9.457 10.187 -3.136) 14.249 17.097 ( 1.836 -2.274 12.064) 12.413 17.097 ( 1.836 2.274 12.064) 12.413 18.021 ( 7.666 -3.004 -10.924) 13.680 18.021 ( 7.666 3.004 -10.924) 13.680 21.040 ( -10.567 -8.074 59.680) 61.144 21.040 ( -10.567 8.074 59.680) 61.144 23.531 ( -1.872 -0.878 -23.201) 23.293 23.531 ( -1.872 0.878 -23.201) 23.293 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 0.000 -1.663 -0.423) 1.716 1.172 ( 0.000 1.663 -0.423) 1.716 1.695 ( 0.000 -3.358 -10.422) 10.950 1.695 ( 0.000 3.358 -10.422) 10.950 1.909 ( 0.000 -12.341 2.943) 12.687 1.909 ( 0.000 12.341 2.943) 12.687 2.265 ( 0.000 -5.137 -1.450) 5.337 2.265 ( 0.000 5.137 -1.450) 5.337 2.351 ( 0.000 -1.744 5.299) 5.579 2.351 ( 0.000 1.744 5.299) 5.579 2.514 ( 0.000 -0.078 -5.047) 5.048 2.514 ( 0.000 0.078 -5.047) 5.048 2.951 ( 0.000 -4.973 10.269) 11.409 2.951 ( 0.000 4.973 10.269) 11.409 3.368 ( 0.000 -3.026 7.995) 8.549 3.368 ( 0.000 3.026 7.995) 8.549 3.426 ( 0.000 -4.779 0.745) 4.837 3.426 ( 0.000 4.779 0.745) 4.837 3.648 ( 0.000 -3.934 1.104) 4.086 3.648 ( 0.000 3.934 1.104) 4.086 3.945 ( 0.000 -0.645 1.838) 1.948 3.945 ( 0.000 0.645 1.838) 1.948 3.996 ( 0.000 -3.195 3.144) 4.483 3.996 ( 0.000 3.195 3.144) 4.483 4.359 ( 0.000 -2.867 17.631) 17.863 4.359 ( 0.000 2.867 17.631) 17.863 4.381 ( 0.000 -5.854 2.670) 6.434 4.381 ( 0.000 5.854 2.670) 6.434 4.689 ( 0.000 -3.166 -7.226) 7.889 4.689 ( 0.000 3.166 -7.226) 7.889 5.250 ( 0.000 -3.393 5.645) 6.586 5.250 ( 0.000 3.393 5.645) 6.586 5.538 ( 0.000 -0.957 -1.066) 1.433 5.538 ( 0.000 0.957 -1.066) 1.433 5.792 ( 0.000 -2.973 -0.861) 3.095 5.792 ( 0.000 2.973 -0.861) 3.095 6.001 ( 0.000 -6.127 2.354) 6.564 6.001 ( 0.000 6.127 2.354) 6.564 6.317 ( 0.000 -3.388 -9.882) 10.446 6.317 ( 0.000 3.388 -9.882) 10.446 6.948 ( 0.000 -1.288 22.850) 22.886 6.948 ( 0.000 1.288 22.850) 22.886 7.828 ( 0.000 -6.232 -0.237) 6.237 7.828 ( 0.000 6.232 -0.237) 6.237 7.988 ( 0.000 -4.318 7.092) 8.303 7.988 ( 0.000 4.318 7.092) 8.303 8.357 ( 0.000 -1.473 0.698) 1.630 8.357 ( 0.000 1.473 0.698) 1.630 8.756 ( 0.000 -4.521 -4.690) 6.514 8.756 ( 0.000 4.521 -4.690) 6.514 8.910 ( 0.000 -2.166 -8.385) 8.661 8.910 ( 0.000 2.166 -8.385) 8.661 9.377 ( 0.000 -7.093 3.603) 7.956 9.377 ( 0.000 7.093 3.603) 7.956 9.809 ( 0.000 -6.342 -6.960) 9.416 9.809 ( 0.000 6.342 -6.960) 9.416 10.000 ( -0.000 -0.071 9.949) 9.949 10.000 ( -0.000 0.071 9.949) 9.949 10.499 ( 0.000 -0.749 -13.863) 13.883 10.499 ( 0.000 0.749 -13.863) 13.883 11.420 ( 0.000 -7.160 6.258) 9.509 11.420 ( 0.000 7.160 6.258) 9.509 11.829 ( 0.000 -0.380 -6.495) 6.506 11.829 ( 0.000 0.380 -6.495) 6.506 12.513 ( 0.000 -5.594 14.117) 15.185 12.513 ( 0.000 5.594 14.117) 15.185 13.226 ( 0.000 -1.806 -7.548) 7.761 13.226 ( 0.000 1.806 -7.548) 7.761 13.823 ( 0.000 -5.219 -1.603) 5.459 13.823 ( 0.000 5.219 -1.603) 5.459 14.067 ( 0.000 -3.223 -10.368) 10.857 14.067 ( 0.000 3.223 -10.368) 10.857 15.522 ( 0.000 -1.897 -1.202) 2.246 15.522 ( 0.000 1.897 -1.202) 2.246 15.918 ( 0.000 -2.148 -1.074) 2.402 15.918 ( 0.000 2.148 -1.074) 2.402 17.121 ( 0.000 -0.907 12.855) 12.886 17.121 ( 0.000 0.907 12.855) 12.886 18.099 ( 0.000 -3.700 -11.323) 11.912 18.099 ( 0.000 3.700 -11.323) 11.912 20.935 ( 0.000 -6.247 60.709) 61.030 20.935 ( 0.000 6.247 60.709) 61.030 23.512 ( 0.000 -0.895 -23.379) 23.396 23.512 ( 0.000 0.895 -23.379) 23.396 ======================= Grid point 220 (73/90) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 0.000 9.169) 9.169 1.908 ( 0.000 0.000 -0.932) 0.932 1.948 ( 0.000 0.000 17.308) 17.308 2.041 ( 0.000 0.000 6.358) 6.358 2.100 ( 0.000 0.000 10.403) 10.403 2.215 ( 0.000 0.000 -1.603) 1.603 2.250 ( 0.000 0.000 12.528) 12.528 2.279 ( 0.000 0.000 -5.917) 5.917 2.317 ( 0.000 0.000 -10.279) 10.279 2.489 ( 0.000 0.000 -9.544) 9.544 2.818 ( 0.000 0.000 7.561) 7.561 2.923 ( 0.000 0.000 -0.259) 0.259 2.953 ( 0.000 0.000 -1.621) 1.621 2.963 ( 0.000 0.000 -3.664) 3.664 3.044 ( 0.000 0.000 0.386) 0.386 3.130 ( 0.000 0.000 -5.095) 5.095 3.321 ( 0.000 0.000 4.614) 4.614 3.367 ( 0.000 0.000 0.514) 0.514 3.496 ( 0.000 0.000 10.484) 10.484 3.596 ( 0.000 0.000 0.530) 0.530 3.675 ( 0.000 0.000 0.583) 0.583 3.701 ( 0.000 0.000 -1.939) 1.939 4.311 ( 0.000 0.000 3.272) 3.272 4.364 ( 0.000 0.000 -0.870) 0.870 4.521 ( 0.000 0.000 5.858) 5.858 4.674 ( 0.000 0.000 -8.973) 8.973 4.678 ( 0.000 0.000 23.917) 23.917 4.817 ( 0.000 0.000 16.233) 16.233 4.967 ( 0.000 0.000 -2.511) 2.511 5.046 ( 0.000 0.000 11.318) 11.318 5.117 ( 0.000 0.000 -18.300) 18.300 5.351 ( 0.000 0.000 -15.520) 15.520 5.563 ( 0.000 0.000 8.534) 8.534 5.707 ( 0.000 0.000 10.931) 10.931 5.754 ( 0.000 0.000 -5.946) 5.946 5.796 ( 0.000 0.000 8.583) 8.583 5.931 ( 0.000 0.000 -9.992) 9.992 6.033 ( 0.000 0.000 -9.518) 9.518 6.155 ( 0.000 0.000 4.128) 4.128 6.225 ( 0.000 0.000 -1.767) 1.767 7.509 ( 0.000 0.000 17.903) 17.903 7.534 ( 0.000 0.000 27.419) 27.419 7.746 ( 0.000 0.000 -6.977) 6.977 7.841 ( 0.000 0.000 -6.037) 6.037 7.950 ( 0.000 0.000 9.160) 9.160 8.081 ( 0.000 0.000 17.815) 17.815 8.256 ( 0.000 0.000 -6.894) 6.894 8.372 ( 0.000 0.000 -3.265) 3.265 8.453 ( 0.000 0.000 -0.497) 0.497 8.530 ( 0.000 0.000 -15.017) 15.017 8.536 ( 0.000 0.000 -5.677) 5.677 8.625 ( 0.000 0.000 -21.777) 21.777 9.235 ( 0.000 0.000 8.287) 8.287 9.375 ( 0.000 0.000 -5.596) 5.596 9.784 ( 0.000 0.000 2.823) 2.823 9.837 ( 0.000 0.000 -2.422) 2.422 10.279 ( 0.000 0.000 3.185) 3.185 10.329 ( 0.000 0.000 -0.377) 0.377 10.366 ( 0.000 0.000 -4.894) 4.894 10.368 ( 0.000 0.000 -6.417) 6.417 11.626 ( 0.000 0.000 10.805) 10.805 11.745 ( 0.000 0.000 1.830) 1.830 11.803 ( 0.000 0.000 -3.778) 3.778 11.815 ( 0.000 0.000 -7.720) 7.720 12.083 ( 0.000 0.000 6.510) 6.510 12.265 ( 0.000 0.000 -10.625) 10.625 12.459 ( 0.000 0.000 9.788) 9.788 12.611 ( 0.000 0.000 -4.710) 4.710 14.038 ( 0.000 0.000 0.350) 0.350 14.088 ( 0.000 0.000 -4.643) 4.643 14.368 ( 0.000 0.000 20.766) 20.766 14.899 ( 0.000 0.000 -31.103) 31.103 15.531 ( 0.000 0.000 7.657) 7.657 15.660 ( 0.000 0.000 -4.392) 4.392 15.815 ( 0.000 0.000 5.711) 5.711 15.911 ( 0.000 0.000 -2.948) 2.948 16.991 ( 0.000 0.000 5.066) 5.066 17.086 ( 0.000 0.000 -4.617) 4.617 17.587 ( 0.000 0.000 9.462) 9.462 17.839 ( 0.000 0.000 -14.661) 14.661 22.492 ( 0.000 0.000 38.768) 38.768 23.150 ( 0.000 0.000 -28.942) 28.942 23.286 ( 0.000 0.000 8.128) 8.128 23.462 ( 0.000 0.000 -9.829) 9.829 ======================= Grid point 221 (74/90) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -2.650 0.000 6.040) 6.596 1.785 ( -8.710 0.000 7.640) 11.586 1.947 ( -2.560 0.000 10.105) 10.424 2.036 ( -1.334 0.000 4.995) 5.170 2.139 ( 1.312 0.000 5.232) 5.394 2.201 ( -4.845 0.000 3.048) 5.724 2.224 ( 1.278 0.000 -0.702) 1.459 2.280 ( -1.707 0.000 -3.085) 3.525 2.295 ( 0.016 0.000 1.148) 1.148 2.490 ( 0.299 0.000 -8.609) 8.614 2.764 ( -4.730 0.000 5.019) 6.897 2.885 ( -6.360 0.000 -6.777) 9.294 2.939 ( 1.885 0.000 0.680) 2.004 2.977 ( 1.990 0.000 -0.926) 2.195 3.049 ( 1.180 0.000 4.171) 4.334 3.155 ( 2.760 0.000 -4.831) 5.564 3.370 ( 3.350 0.000 4.471) 5.587 3.413 ( 3.049 0.000 0.497) 3.090 3.507 ( 1.677 0.000 10.542) 10.674 3.612 ( 2.000 0.000 0.483) 2.057 3.657 ( -1.500 0.000 0.482) 1.575 3.684 ( -1.468 0.000 -2.450) 2.856 4.292 ( -1.849 0.000 2.995) 3.520 4.342 ( -2.124 0.000 -1.183) 2.431 4.509 ( -1.425 0.000 5.212) 5.403 4.647 ( -2.928 0.000 -8.461) 8.953 4.677 ( 0.130 0.000 23.553) 23.554 4.791 ( -2.509 0.000 15.243) 15.448 4.925 ( -3.501 0.000 -2.875) 4.530 5.028 ( -1.742 0.000 12.258) 12.381 5.121 ( 0.170 0.000 -18.000) 18.000 5.340 ( -1.192 0.000 -15.499) 15.545 5.606 ( 4.108 0.000 7.701) 8.728 5.739 ( 3.008 0.000 10.751) 11.164 5.760 ( -2.280 0.000 12.963) 13.162 5.792 ( 2.631 0.000 -10.442) 10.768 5.964 ( 2.622 0.000 -7.046) 7.518 6.005 ( -2.673 0.000 -8.596) 9.002 6.113 ( -3.832 0.000 2.795) 4.743 6.203 ( -2.130 0.000 -3.573) 4.160 7.496 ( -1.201 0.000 18.442) 18.481 7.529 ( -0.477 0.000 27.766) 27.770 7.742 ( -0.448 0.000 -6.864) 6.879 7.840 ( -0.169 0.000 -5.952) 5.954 7.965 ( 1.476 0.000 8.633) 8.758 8.106 ( 2.294 0.000 17.207) 17.360 8.260 ( 0.565 0.000 -7.883) 7.904 8.414 ( 3.921 0.000 -4.352) 5.858 8.435 ( -1.147 0.000 -0.603) 1.296 8.529 ( -0.149 0.000 -15.488) 15.488 8.574 ( 3.276 0.000 -4.228) 5.349 8.635 ( 1.040 0.000 -19.191) 19.219 9.230 ( -0.392 0.000 8.045) 8.055 9.371 ( -0.375 0.000 -5.788) 5.800 9.782 ( -0.189 0.000 2.724) 2.731 9.833 ( -0.332 0.000 -2.330) 2.353 10.253 ( -2.194 0.000 3.658) 4.265 10.324 ( -0.868 0.000 -0.062) 0.870 10.350 ( -1.204 0.000 -6.835) 6.940 10.365 ( -0.614 0.000 -4.964) 5.002 11.598 ( -2.705 0.000 10.767) 11.102 11.723 ( -1.982 0.000 0.491) 2.042 11.774 ( -1.876 0.000 -2.819) 3.386 11.804 ( -1.020 0.000 -7.540) 7.609 12.184 ( 8.986 0.000 5.394) 10.481 12.320 ( 5.388 0.000 -7.612) 9.326 12.491 ( 3.173 0.000 9.463) 9.981 12.654 ( 4.190 0.000 -6.036) 7.348 13.997 ( -3.685 0.000 -0.257) 3.694 14.036 ( -4.662 0.000 -3.848) 6.045 14.318 ( -5.320 0.000 18.532) 19.281 14.781 ( -11.467 0.000 -25.019) 27.521 15.504 ( -0.323 0.000 4.851) 4.862 15.620 ( -1.643 0.000 -4.757) 5.033 15.945 ( 9.228 0.000 6.835) 11.483 16.059 ( 11.815 0.000 -3.346) 12.280 17.012 ( 2.208 0.000 6.439) 6.807 17.138 ( 5.448 0.000 -6.382) 8.391 17.558 ( -2.484 0.000 6.247) 6.723 17.751 ( -8.643 0.000 -12.179) 14.934 22.444 ( -4.805 0.000 40.287) 40.572 23.127 ( -2.306 0.000 -29.737) 29.826 23.159 ( -12.312 0.000 13.080) 17.963 23.410 ( -5.206 0.000 -12.367) 13.418 ======================= Grid point 222 (75/90) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -9.531 0.000 9.739) 13.627 1.713 ( -3.617 0.000 -0.314) 3.631 1.839 ( -8.187 0.000 8.630) 11.896 1.925 ( -10.718 0.000 1.890) 10.884 2.076 ( -8.009 0.000 -3.031) 8.563 2.085 ( -6.589 0.000 -3.118) 7.290 2.249 ( 1.130 0.000 2.326) 2.586 2.273 ( 3.333 0.000 0.198) 3.339 2.334 ( 2.594 0.000 8.663) 9.043 2.513 ( 1.990 0.000 -6.243) 6.552 2.674 ( -4.322 0.000 1.479) 4.568 2.741 ( -8.266 0.000 -6.323) 10.407 2.979 ( 2.192 0.000 1.393) 2.597 3.011 ( 1.848 0.000 -0.455) 1.904 3.136 ( 7.450 0.000 7.094) 10.287 3.244 ( 6.016 0.000 -2.761) 6.619 3.394 ( -0.490 0.000 4.029) 4.058 3.431 ( -1.293 0.000 0.266) 1.320 3.583 ( 5.407 0.000 10.254) 11.593 3.637 ( 0.223 0.000 -0.655) 0.692 3.647 ( -0.420 0.000 -0.339) 0.540 3.696 ( 4.825 0.000 -2.102) 5.263 4.242 ( -3.394 0.000 2.180) 4.034 4.284 ( -3.903 0.000 -1.567) 4.206 4.462 ( -3.186 0.000 3.962) 5.084 4.565 ( -4.908 0.000 -6.988) 8.539 4.690 ( 1.036 0.000 20.970) 20.996 4.733 ( -2.937 0.000 14.450) 14.745 4.854 ( -3.658 0.000 -3.428) 5.013 4.979 ( -3.334 0.000 14.125) 14.514 5.122 ( 0.168 0.000 -17.535) 17.536 5.302 ( -2.811 0.000 -15.344) 15.599 5.696 ( -3.690 0.000 11.776) 12.340 5.700 ( 4.933 0.000 5.570) 7.440 5.806 ( 3.308 0.000 9.729) 10.276 5.866 ( 4.213 0.000 -8.818) 9.773 5.938 ( -3.897 0.000 -6.310) 7.416 5.969 ( -4.331 0.000 9.674) 10.600 6.067 ( 1.456 0.000 -11.530) 11.621 6.151 ( -2.881 0.000 -7.123) 7.683 7.469 ( -1.465 0.000 19.462) 19.517 7.515 ( -0.925 0.000 27.830) 27.845 7.727 ( -1.011 0.000 -6.168) 6.250 7.833 ( -0.555 0.000 -6.754) 6.777 8.002 ( 2.154 0.000 7.604) 7.904 8.153 ( 2.050 0.000 15.826) 15.958 8.281 ( 1.473 0.000 -10.220) 10.326 8.423 ( 0.044 0.000 1.339) 1.339 8.498 ( 2.847 0.000 -7.645) 8.158 8.531 ( 1.692 0.000 -16.070) 16.158 8.648 ( 4.082 0.000 -2.263) 4.667 8.667 ( 2.245 0.000 -12.340) 12.543 9.225 ( -0.016 0.000 7.385) 7.385 9.366 ( 0.038 0.000 -6.262) 6.262 9.775 ( -0.709 0.000 2.583) 2.679 9.825 ( -0.477 0.000 -2.320) 2.368 10.210 ( -2.027 0.000 4.853) 5.260 10.291 ( -2.395 0.000 0.811) 2.529 10.324 ( -1.404 0.000 -7.315) 7.449 10.346 ( -1.177 0.000 -5.538) 5.662 11.537 ( -3.222 0.000 10.281) 10.774 11.681 ( -2.042 0.000 -1.954) 2.826 11.750 ( -0.626 0.000 -2.077) 2.170 11.779 ( -1.491 0.000 -6.304) 6.477 12.391 ( 11.441 0.000 6.004) 12.921 12.459 ( 8.471 0.000 -1.983) 8.700 12.578 ( 5.727 0.000 7.231) 9.224 12.763 ( 6.684 0.000 -8.997) 11.208 13.920 ( -3.744 0.000 -1.608) 4.075 13.937 ( -4.859 0.000 -2.889) 5.653 14.168 ( -9.491 0.000 14.133) 17.024 14.504 ( -15.577 0.000 -16.193) 22.469 15.518 ( 0.836 0.000 1.990) 2.159 15.616 ( 0.722 0.000 -5.184) 5.234 16.069 ( 2.089 0.000 11.866) 12.048 16.277 ( 8.567 0.000 -6.782) 10.926 17.083 ( 5.116 0.000 10.013) 11.244 17.293 ( 10.028 0.000 -10.891) 14.805 17.528 ( 0.443 0.000 -2.335) 2.377 17.544 ( -10.962 0.000 -4.167) 11.728 22.319 ( -7.523 0.000 44.128) 44.765 22.850 ( -18.163 0.000 24.495) 30.494 23.067 ( -3.652 0.000 -31.774) 31.984 23.276 ( -8.026 0.000 -18.651) 20.305 ======================= Grid point 223 (76/90) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -10.628 0.000 8.883) 13.851 1.608 ( -10.596 0.000 -10.004) 14.573 1.663 ( -8.783 0.000 8.801) 12.433 1.715 ( -5.747 0.000 4.434) 7.259 1.902 ( -9.185 0.000 -5.411) 10.661 1.925 ( -8.566 0.000 -7.413) 11.328 2.305 ( 3.422 0.000 3.919) 5.203 2.340 ( 3.165 0.000 0.115) 3.167 2.384 ( 2.441 0.000 7.390) 7.782 2.539 ( -0.771 0.000 -6.184) 6.232 2.576 ( -7.146 0.000 -0.127) 7.147 2.591 ( -4.090 0.000 -0.467) 4.117 3.028 ( 2.586 0.000 2.156) 3.367 3.058 ( 2.344 0.000 0.899) 2.511 3.293 ( 7.758 0.000 5.939) 9.770 3.343 ( 1.503 0.000 4.833) 5.061 3.404 ( 2.579 0.000 0.441) 2.616 3.410 ( 2.179 0.000 -3.379) 4.020 3.638 ( 1.408 0.000 2.070) 2.504 3.652 ( 1.120 0.000 -0.660) 1.300 3.721 ( 6.623 0.000 5.692) 8.733 3.799 ( 4.988 0.000 -0.092) 4.989 4.154 ( -5.637 0.000 0.980) 5.722 4.187 ( -5.866 0.000 -1.563) 6.070 4.397 ( -3.244 0.000 3.394) 4.695 4.483 ( -3.013 0.000 -5.967) 6.684 4.661 ( -3.223 0.000 8.854) 9.422 4.734 ( 2.110 0.000 21.985) 22.086 4.778 ( -4.311 0.000 -4.259) 6.060 4.904 ( -4.069 0.000 16.140) 16.645 5.132 ( 0.726 0.000 -16.059) 16.075 5.235 ( -3.764 0.000 -14.899) 15.367 5.627 ( -3.213 0.000 10.213) 10.707 5.769 ( 1.130 0.000 -0.381) 1.192 5.850 ( 1.207 0.000 6.072) 6.191 5.860 ( -5.482 0.000 11.431) 12.678 5.875 ( -1.853 0.000 0.005) 1.853 5.941 ( 3.277 0.000 -8.123) 8.759 6.108 ( -1.241 0.000 -8.190) 8.284 6.115 ( 2.450 0.000 -10.871) 11.143 7.446 ( -0.784 0.000 20.509) 20.524 7.495 ( -1.107 0.000 26.480) 26.503 7.707 ( -0.890 0.000 -4.968) 5.047 7.818 ( -0.976 0.000 -8.668) 8.722 8.043 ( 1.945 0.000 6.651) 6.929 8.174 ( 0.159 0.000 14.401) 14.402 8.312 ( 1.576 0.000 -12.863) 12.959 8.434 ( 0.764 0.000 4.925) 4.984 8.498 ( -0.889 0.000 -13.977) 14.005 8.605 ( 3.707 0.000 -13.359) 13.864 8.719 ( 2.900 0.000 -5.029) 5.805 8.726 ( 3.777 0.000 -0.555) 3.817 9.235 ( 1.156 0.000 6.796) 6.893 9.381 ( 1.668 0.000 -6.845) 7.045 9.750 ( -1.933 0.000 2.849) 3.443 9.816 ( -0.493 0.000 -3.234) 3.272 10.181 ( -0.936 0.000 5.930) 6.003 10.238 ( -2.801 0.000 2.558) 3.793 10.300 ( -0.934 0.000 -6.730) 6.794 10.324 ( -1.033 0.000 -6.956) 7.033 11.481 ( -2.334 0.000 9.988) 10.257 11.649 ( -1.122 0.000 -4.231) 4.378 11.745 ( 0.009 0.000 -2.271) 2.271 11.747 ( -1.750 0.000 -4.026) 4.389 12.589 ( 7.892 0.000 13.621) 15.742 12.632 ( 8.733 0.000 3.123) 9.275 12.724 ( 9.424 0.000 -1.715) 9.579 12.902 ( 7.219 0.000 -12.029) 14.029 13.860 ( -2.987 0.000 -2.033) 3.613 13.864 ( -1.955 0.000 -3.051) 3.624 13.978 ( -9.250 0.000 9.903) 13.551 14.216 ( -13.252 0.000 -11.364) 17.457 15.520 ( -0.439 0.000 2.903) 2.936 15.634 ( 1.184 0.000 -6.147) 6.260 16.007 ( -7.840 0.000 15.471) 17.344 16.316 ( -5.633 0.000 -12.926) 14.100 17.203 ( 6.951 0.000 13.853) 15.499 17.400 ( -2.529 0.000 7.765) 8.166 17.502 ( 10.658 0.000 -15.488) 18.801 17.594 ( 5.889 0.000 -10.731) 12.241 22.171 ( -7.241 0.000 48.680) 49.215 22.502 ( -16.467 0.000 36.180) 39.752 22.995 ( -3.521 0.000 -34.199) 34.380 23.118 ( -7.641 0.000 -25.803) 26.910 ======================= Grid point 224 (77/90) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -8.920 0.000 3.300) 9.511 1.374 ( -10.210 0.000 -11.761) 15.574 1.526 ( -5.012 0.000 11.571) 12.610 1.670 ( -1.697 0.000 2.639) 3.137 1.757 ( -4.388 0.000 -9.171) 10.167 1.792 ( -4.612 0.000 -8.147) 9.362 2.340 ( -0.175 0.000 3.304) 3.309 2.354 ( -3.170 0.000 1.792) 3.642 2.433 ( 2.559 0.000 1.779) 3.117 2.462 ( -0.311 0.000 -0.962) 1.011 2.531 ( -1.822 0.000 0.555) 1.904 2.542 ( -1.115 0.000 -0.614) 1.273 3.063 ( 0.830 0.000 2.186) 2.338 3.081 ( 0.215 0.000 1.944) 1.956 3.334 ( -0.167 0.000 8.398) 8.399 3.439 ( 7.654 0.000 0.645) 7.682 3.479 ( 3.644 0.000 0.020) 3.644 3.496 ( 4.458 0.000 -0.540) 4.490 3.652 ( -0.811 0.000 -0.600) 1.009 3.676 ( 0.693 0.000 -1.477) 1.632 3.848 ( 6.171 0.000 4.492) 7.632 3.881 ( 3.522 0.000 2.543) 4.345 4.041 ( -5.377 0.000 0.772) 5.432 4.074 ( -5.298 0.000 -0.143) 5.300 4.345 ( -1.872 0.000 4.039) 4.452 4.454 ( -0.117 0.000 -6.757) 6.758 4.594 ( -3.489 0.000 4.784) 5.921 4.690 ( -4.444 0.000 -4.943) 6.647 4.774 ( 1.718 0.000 21.598) 21.666 4.836 ( -2.503 0.000 17.559) 17.736 5.135 ( -0.968 0.000 -12.718) 12.755 5.180 ( -0.999 0.000 -15.763) 15.795 5.578 ( -1.677 0.000 8.452) 8.617 5.750 ( -1.659 0.000 -7.462) 7.645 5.775 ( -3.084 0.000 11.124) 11.543 5.842 ( -1.388 0.000 5.832) 5.995 5.882 ( 1.245 0.000 2.134) 2.470 5.988 ( 1.564 0.000 -7.974) 8.125 6.102 ( 0.292 0.000 -5.537) 5.544 6.151 ( 1.218 0.000 -9.277) 9.356 7.440 ( 0.123 0.000 21.877) 21.878 7.474 ( -0.947 0.000 23.981) 24.000 7.696 ( -0.278 0.000 -3.587) 3.598 7.799 ( -0.843 0.000 -10.725) 10.758 8.074 ( 1.199 0.000 5.603) 5.729 8.167 ( -0.626 0.000 14.275) 14.289 8.337 ( 0.900 0.000 -14.929) 14.956 8.444 ( 0.288 0.000 7.959) 7.964 8.481 ( -0.761 0.000 -13.996) 14.017 8.659 ( 1.833 0.000 -13.850) 13.971 8.767 ( 1.779 0.000 -1.917) 2.615 8.786 ( 2.250 0.000 0.200) 2.259 9.265 ( 1.573 0.000 7.075) 7.248 9.430 ( 3.111 0.000 -8.042) 8.623 9.700 ( -2.952 0.000 4.287) 5.205 9.807 ( -0.402 0.000 -5.562) 5.576 10.167 ( -0.729 0.000 6.717) 6.757 10.195 ( -1.216 0.000 4.704) 4.859 10.289 ( -0.255 0.000 -6.141) 6.146 10.308 ( -0.561 0.000 -7.791) 7.811 11.447 ( -1.154 0.000 9.948) 10.015 11.639 ( 0.017 0.000 -6.810) 6.810 11.712 ( -1.763 0.000 -0.784) 1.929 11.746 ( 0.071 0.000 -2.949) 2.950 12.699 ( 3.776 0.000 17.699) 18.097 12.777 ( 5.612 0.000 6.326) 8.457 12.904 ( 7.571 0.000 -6.790) 10.170 13.027 ( 5.120 0.000 -13.877) 14.792 13.817 ( -2.092 0.000 1.863) 2.801 13.835 ( -4.384 0.000 3.789) 5.794 13.841 ( -0.499 0.000 -4.094) 4.125 14.011 ( -7.401 0.000 -9.495) 12.038 15.521 ( 1.124 0.000 5.992) 6.096 15.680 ( 4.130 0.000 -7.815) 8.839 15.815 ( -10.391 0.000 13.631) 17.140 16.101 ( -13.857 0.000 -12.977) 18.985 17.333 ( 5.669 0.000 15.978) 16.954 17.414 ( 2.114 0.000 13.980) 14.139 17.678 ( 6.733 0.000 -16.569) 17.885 17.716 ( 5.454 0.000 -16.657) 17.527 22.055 ( -4.294 0.000 52.338) 52.514 22.243 ( -9.594 0.000 44.172) 45.202 22.939 ( -1.924 0.000 -36.071) 36.123 22.995 ( -4.752 0.000 -31.196) 31.556 ======================= Grid point 225 (78/90) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 0.000 -0.078) 0.078 1.268 ( 0.000 0.000 -13.726) 13.726 1.475 ( 0.000 0.000 12.629) 12.629 1.640 ( 0.000 0.000 2.780) 2.780 1.729 ( 0.000 0.000 -10.706) 10.706 1.749 ( 0.000 0.000 -7.502) 7.502 2.305 ( 0.000 0.000 3.229) 3.229 2.329 ( 0.000 0.000 1.206) 1.206 2.464 ( 0.000 0.000 0.850) 0.850 2.481 ( 0.000 0.000 -0.610) 0.610 2.514 ( 0.000 0.000 1.066) 1.066 2.522 ( 0.000 0.000 0.256) 0.256 3.068 ( 0.000 0.000 1.899) 1.899 3.081 ( 0.000 0.000 1.911) 1.911 3.338 ( 0.000 0.000 10.844) 10.844 3.516 ( 0.000 0.000 0.635) 0.635 3.548 ( 0.000 0.000 1.530) 1.530 3.564 ( 0.000 0.000 -0.436) 0.436 3.599 ( -0.000 0.000 -3.192) 3.192 3.676 ( -0.000 0.000 -3.749) 3.749 3.933 ( 0.000 0.000 1.427) 1.427 3.935 ( 0.000 0.000 7.621) 7.621 3.966 ( -0.000 0.000 -2.206) 2.206 4.002 ( -0.000 0.000 2.680) 2.680 4.329 ( 0.000 0.000 5.015) 5.015 4.461 ( 0.000 0.000 -7.479) 7.479 4.552 ( 0.000 0.000 3.070) 3.070 4.636 ( 0.000 0.000 -5.211) 5.211 4.793 ( 0.000 0.000 21.811) 21.811 4.811 ( 0.000 0.000 17.376) 17.376 5.118 ( 0.000 0.000 -11.676) 11.676 5.178 ( 0.000 0.000 -15.679) 15.679 5.562 ( -0.000 0.000 7.694) 7.694 5.732 ( 0.000 0.000 -8.333) 8.333 5.744 ( 0.000 0.000 10.821) 10.821 5.825 ( 0.000 0.000 4.177) 4.177 5.894 ( 0.000 0.000 2.682) 2.682 6.003 ( -0.000 0.000 -7.996) 7.996 6.107 ( 0.000 0.000 -4.259) 4.259 6.163 ( 0.000 0.000 -8.684) 8.684 7.444 ( -0.000 0.000 23.742) 23.742 7.463 ( 0.000 0.000 21.520) 21.520 7.694 ( 0.000 0.000 -2.801) 2.801 7.790 ( -0.000 0.000 -11.754) 11.754 8.087 ( 0.000 0.000 4.753) 4.753 8.159 ( 0.000 0.000 14.863) 14.863 8.346 ( 0.000 0.000 -15.722) 15.722 8.447 ( 0.000 0.000 9.076) 9.076 8.473 ( 0.000 0.000 -13.777) 13.777 8.676 ( 0.000 0.000 -13.806) 13.806 8.785 ( 0.000 0.000 -1.310) 1.310 8.809 ( 0.000 0.000 0.311) 0.311 9.283 ( 0.000 0.000 7.560) 7.560 9.471 ( 0.000 0.000 -10.124) 10.124 9.661 ( -0.000 0.000 6.589) 6.589 9.802 ( 0.000 0.000 -7.130) 7.130 10.156 ( 0.000 0.000 7.278) 7.278 10.187 ( -0.000 0.000 5.561) 5.561 10.287 ( 0.000 0.000 -5.961) 5.961 10.303 ( 0.000 0.000 -7.948) 7.948 11.436 ( 0.000 0.000 9.971) 9.971 11.643 ( -0.000 0.000 -9.943) 9.943 11.690 ( 0.000 0.000 2.745) 2.745 11.747 ( 0.000 0.000 -3.324) 3.324 12.737 ( 0.000 0.000 18.533) 18.533 12.834 ( 0.000 0.000 7.314) 7.314 12.982 ( 0.000 0.000 -8.015) 8.015 13.080 ( 0.000 0.000 -14.410) 14.410 13.778 ( 0.000 0.000 6.631) 6.631 13.813 ( 0.000 0.000 -1.751) 1.751 13.838 ( 0.000 0.000 -4.462) 4.462 13.938 ( 0.000 0.000 -9.066) 9.066 15.556 ( 0.000 0.000 9.597) 9.597 15.680 ( -0.000 0.000 9.987) 9.987 15.777 ( -0.000 0.000 -10.508) 10.508 15.895 ( 0.000 0.000 -9.670) 9.670 17.395 ( 0.000 0.000 16.761) 16.761 17.437 ( 0.000 0.000 15.088) 15.088 17.746 ( 0.000 0.000 -15.012) 15.012 17.773 ( 0.000 0.000 -20.317) 20.317 22.012 ( 0.000 0.000 53.824) 53.824 22.147 ( 0.000 0.000 46.892) 46.892 22.923 ( -0.000 0.000 -37.119) 37.119 22.944 ( 0.000 0.000 -32.826) 32.826 ======================= Grid point 231 (79/90) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 5.049 8.710) 10.068 1.942 ( 0.000 3.397 1.044) 3.554 1.959 ( 0.000 1.109 16.398) 16.435 2.029 ( 0.000 -1.404 7.427) 7.558 2.064 ( 0.000 -2.583 10.115) 10.439 2.164 ( 0.000 -5.472 -1.222) 5.607 2.256 ( 0.000 -1.432 -6.585) 6.739 2.292 ( 0.000 -2.387 -10.441) 10.711 2.342 ( 0.000 8.398 10.386) 13.356 2.551 ( 0.000 5.915 -8.598) 10.437 2.718 ( 0.000 -9.306 7.039) 11.668 2.863 ( 0.000 -9.964 -6.098) 11.682 2.949 ( 0.000 2.508 -0.223) 2.518 2.981 ( 0.000 2.002 -3.143) 3.727 3.004 ( 0.000 -0.689 4.362) 4.416 3.100 ( 0.000 -2.875 -4.698) 5.508 3.360 ( 0.000 2.679 6.407) 6.945 3.425 ( 0.000 4.151 -0.020) 4.151 3.468 ( 0.000 -2.807 10.115) 10.498 3.567 ( 0.000 -2.994 0.138) 2.997 3.757 ( 0.000 9.110 2.370) 9.413 3.821 ( 0.000 11.219 -4.020) 11.918 4.177 ( 0.000 -10.922 4.663) 11.875 4.265 ( 0.000 -9.736 -3.918) 10.495 4.580 ( 0.000 3.694 9.782) 10.456 4.709 ( 0.000 6.484 4.574) 7.935 4.762 ( 0.000 -5.099 15.972) 16.766 4.796 ( 0.000 8.018 8.115) 11.408 4.932 ( 0.000 -3.849 -2.945) 4.846 5.028 ( 0.000 -2.532 11.448) 11.724 5.175 ( 0.000 5.519 -18.049) 18.874 5.335 ( 0.000 -1.847 -15.758) 15.866 5.576 ( 0.000 1.460 8.840) 8.960 5.675 ( 0.000 -3.073 10.850) 11.277 5.770 ( 0.000 1.939 -6.140) 6.439 5.833 ( 0.000 4.045 8.607) 9.510 5.898 ( 0.000 -3.347 -9.349) 9.930 6.062 ( 0.000 3.099 -9.298) 9.801 6.079 ( 0.000 -6.946 6.228) 9.330 6.207 ( 0.000 -2.604 -4.563) 5.254 7.505 ( 0.000 -0.422 18.327) 18.332 7.516 ( 0.000 -1.413 24.195) 24.236 7.743 ( 0.000 -0.104 -6.586) 6.586 7.804 ( 0.000 -3.287 -6.106) 6.935 7.970 ( 0.000 2.224 10.670) 10.899 8.068 ( 0.000 -1.541 16.526) 16.598 8.284 ( 0.000 2.458 -6.314) 6.776 8.353 ( 0.000 -1.525 -2.560) 2.980 8.474 ( 0.000 1.608 -1.660) 2.312 8.508 ( 0.000 -0.647 -6.416) 6.448 8.572 ( 0.000 1.619 -12.744) 12.846 8.614 ( 0.000 -1.103 -20.838) 20.867 9.334 ( 0.000 9.850 7.803) 12.566 9.467 ( 0.000 9.151 -5.350) 10.600 9.718 ( 0.000 -6.994 4.484) 8.308 9.795 ( 0.000 -4.899 -3.303) 5.908 10.280 ( 0.000 0.240 2.547) 2.558 10.316 ( 0.000 -1.238 0.088) 1.242 10.364 ( 0.000 -0.351 -6.381) 6.391 10.364 ( 0.000 -0.226 -5.302) 5.307 11.650 ( 0.000 2.234 9.196) 9.463 11.730 ( 0.000 -1.498 3.005) 3.358 11.807 ( 0.000 0.327 -4.503) 4.515 11.814 ( 0.000 -0.058 -7.141) 7.141 12.136 ( 0.000 5.643 7.533) 9.412 12.320 ( 0.000 5.569 -9.463) 10.981 12.410 ( 0.000 -5.422 9.543) 10.976 12.562 ( 0.000 -5.069 -4.755) 6.950 14.059 ( 0.000 2.462 2.212) 3.309 14.153 ( 0.000 7.269 -7.161) 10.204 14.278 ( 0.000 -8.119 15.882) 17.837 14.684 ( 0.000 -18.469 -23.348) 29.770 15.605 ( 0.000 6.646 8.549) 10.828 15.768 ( 0.000 7.812 -7.008) 10.495 15.792 ( 0.000 -2.497 6.534) 6.995 15.905 ( 0.000 -0.785 -3.805) 3.886 17.127 ( 0.000 13.911 1.071) 13.952 17.160 ( 0.000 7.792 -2.371) 8.145 17.515 ( 0.000 -7.517 7.655) 10.729 17.727 ( 0.000 -11.884 -12.513) 17.257 22.602 ( 0.000 11.463 34.978) 36.808 23.156 ( 0.000 -12.847 14.118) 19.089 23.200 ( 0.000 5.185 -26.674) 27.173 23.427 ( 0.000 -4.177 -13.886) 14.501 ======================= Grid point 232 (80/90) ======================= q-point: ( 0.10 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -5.542 3.694 8.796) 11.033 1.853 ( -4.514 6.482 4.789) 9.238 1.944 ( -3.606 -1.034 10.557) 11.204 2.035 ( -0.184 0.479 5.698) 5.721 2.097 ( 1.336 -2.298 6.839) 7.337 2.150 ( -1.490 -6.063 -2.687) 6.797 2.243 ( -2.559 -1.295 -3.007) 4.156 2.260 ( -3.079 -2.310 -6.684) 7.713 2.332 ( 0.206 6.621 9.892) 11.905 2.539 ( -0.831 4.648 -8.640) 9.846 2.675 ( -3.501 -8.481 4.274) 10.122 2.776 ( -5.929 -8.201 -5.300) 11.423 2.988 ( 1.647 3.242 0.044) 3.637 3.009 ( 3.801 3.213 -1.370) 5.162 3.048 ( 3.727 0.120 3.581) 5.170 3.139 ( 3.530 -2.023 -4.148) 5.811 3.375 ( 0.813 0.520 6.090) 6.166 3.433 ( 0.526 2.239 0.514) 2.357 3.483 ( 1.633 -3.229 9.560) 10.222 3.577 ( 1.155 -3.675 0.261) 3.861 3.741 ( -1.382 9.426 1.994) 9.734 3.803 ( -1.422 11.032 -4.066) 11.843 4.161 ( -1.539 -10.660 3.879) 11.448 4.238 ( -2.491 -9.867 -3.578) 10.788 4.580 ( -0.141 4.274 8.154) 9.207 4.689 ( -2.068 5.738 3.717) 7.143 4.745 ( -1.322 -2.911 16.628) 16.932 4.776 ( -2.072 6.407 7.861) 10.350 4.902 ( -2.843 -2.856 -2.453) 4.718 5.000 ( -2.490 -2.955 12.327) 12.918 5.171 ( -0.503 4.686 -17.926) 18.535 5.321 ( -1.413 -2.119 -15.912) 16.114 5.616 ( 3.687 1.131 8.428) 9.269 5.709 ( 3.194 -2.900 10.700) 11.537 5.793 ( -0.522 3.302 10.202) 10.735 5.814 ( 1.193 2.793 -8.282) 8.822 5.933 ( 2.751 -3.009 -5.980) 7.237 6.031 ( -2.868 -0.472 -3.499) 4.549 6.052 ( -2.589 -2.577 -0.963) 3.778 6.185 ( -2.102 -2.471 -5.696) 6.555 7.493 ( -1.043 -0.254 18.974) 19.004 7.512 ( -0.421 -1.426 24.847) 24.891 7.742 ( -0.116 0.180 -6.647) 6.651 7.806 ( 0.141 -3.040 -6.067) 6.788 7.985 ( 1.524 2.240 9.914) 10.277 8.089 ( 1.925 -1.846 15.958) 16.180 8.284 ( 0.232 2.244 -7.121) 7.470 8.378 ( 1.920 -2.458 -3.234) 4.493 8.475 ( 0.724 2.493 -1.654) 3.078 8.516 ( 0.548 -0.531 -8.999) 9.031 8.589 ( 1.796 0.754 -9.577) 9.773 8.624 ( 0.947 -1.159 -18.698) 18.758 9.331 ( -0.247 9.955 7.591) 12.522 9.463 ( -0.342 9.148 -5.400) 10.629 9.716 ( -0.161 -6.976 4.299) 8.196 9.791 ( -0.395 -4.933 -3.186) 5.886 10.258 ( -1.904 0.632 2.947) 3.565 10.308 ( -1.016 -1.492 0.403) 1.850 10.349 ( -1.118 -0.092 -6.741) 6.833 10.360 ( -0.689 -0.492 -5.404) 5.470 11.625 ( -2.358 2.653 9.250) 9.907 11.712 ( -1.643 -1.211 2.153) 2.966 11.778 ( -2.049 0.437 -3.639) 4.199 11.799 ( -1.444 -0.497 -6.979) 7.144 12.224 ( 7.962 4.276 6.574) 11.176 12.364 ( 4.486 3.971 -4.796) 7.674 12.456 ( 4.449 -3.339 6.746) 8.744 12.607 ( 4.437 -4.849 -5.829) 8.785 14.016 ( -3.897 2.273 1.603) 4.787 14.095 ( -5.133 6.366 -5.313) 9.752 14.232 ( -4.820 -7.450 12.999) 15.739 14.592 ( -8.875 -16.666 -20.339) 27.753 15.592 ( -0.181 8.643 8.115) 11.857 15.753 ( 0.699 10.218 -6.050) 11.896 15.898 ( 7.279 -4.565 6.683) 10.884 16.032 ( 10.106 -3.200 -4.722) 11.605 17.126 ( 0.165 11.718 3.170) 12.140 17.200 ( 4.222 6.447 -4.347) 8.848 17.497 ( -1.369 -6.295 4.468) 7.840 17.651 ( -7.199 -10.404 -10.219) 16.263 22.543 ( -5.806 10.401 36.851) 38.728 23.045 ( -10.901 -11.508 18.090) 24.052 23.172 ( -2.828 4.624 -27.614) 28.141 23.375 ( -5.070 -3.867 -15.752) 16.993 ======================= Grid point 233 (81/90) ======================= q-point: ( 0.20 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -9.533 4.673 10.287) 14.783 1.776 ( -4.697 5.480 0.825) 7.264 1.822 ( -8.491 -0.966 7.445) 11.334 1.953 ( -8.945 2.633 -0.172) 9.326 2.070 ( -6.709 -0.849 -4.205) 7.963 2.073 ( -4.815 -0.815 -1.750) 5.187 2.195 ( 0.844 -4.930 3.844) 6.308 2.235 ( 0.613 -5.179 0.004) 5.215 2.352 ( 1.494 2.769 9.420) 9.931 2.532 ( 0.038 0.326 -4.180) 4.193 2.610 ( -3.460 -5.617 -1.463) 6.758 2.667 ( -4.951 -4.364 -5.710) 8.727 3.027 ( 1.997 5.350 2.753) 6.339 3.081 ( 3.254 5.413 -2.107) 6.658 3.159 ( 7.973 1.598 5.135) 9.617 3.229 ( 5.326 -2.054 -1.043) 5.803 3.376 ( -0.193 -0.810 4.932) 5.002 3.426 ( -1.407 0.607 -0.146) 1.539 3.529 ( 2.774 -5.812 8.355) 10.549 3.606 ( 1.236 -5.603 0.108) 5.739 3.729 ( 0.995 9.426 1.452) 9.589 3.789 ( 0.541 9.748 -3.741) 10.455 4.122 ( -2.377 -9.652 2.547) 10.261 4.180 ( -3.157 -9.381 -2.945) 10.326 4.559 ( -2.507 6.701 3.989) 8.192 4.633 ( -3.442 5.179 0.084) 6.219 4.714 ( -2.931 -0.881 9.218) 9.713 4.735 ( -0.555 3.727 19.035) 19.404 4.834 ( -3.911 -2.084 -1.836) 4.796 4.940 ( -3.550 -3.861 14.400) 15.325 5.157 ( -0.751 3.263 -17.682) 17.997 5.280 ( -2.745 -2.288 -16.002) 16.396 5.691 ( 2.241 0.822 8.384) 8.717 5.748 ( -1.310 3.871 9.823) 10.639 5.780 ( 3.443 -2.581 10.096) 10.975 5.880 ( 3.358 1.988 -8.369) 9.234 5.930 ( -4.294 -3.528 11.042) 12.361 5.990 ( -2.691 4.132 -7.907) 9.319 6.018 ( 2.208 -4.282 -11.259) 12.247 6.138 ( -2.278 -2.013 -8.398) 8.931 7.470 ( -1.226 0.167 20.135) 20.173 7.500 ( -0.748 -1.350 25.723) 25.769 7.736 ( -0.523 0.926 -6.367) 6.455 7.806 ( -0.120 -2.471 -6.680) 7.123 8.023 ( 2.135 2.212 8.517) 9.055 8.131 ( 1.982 -2.266 14.605) 14.912 8.296 ( 0.975 1.682 -9.126) 9.331 8.402 ( 0.429 -2.539 -2.729) 3.752 8.517 ( 2.180 1.751 -5.691) 6.340 8.528 ( 1.980 0.277 -8.738) 8.964 8.637 ( 2.866 -1.121 -6.398) 7.100 8.650 ( 1.809 -1.460 -12.816) 13.025 9.328 ( -0.039 9.989 7.065) 12.235 9.458 ( -0.104 8.956 -5.492) 10.506 9.710 ( -0.574 -6.825 3.831) 7.848 9.781 ( -0.544 -4.978 -3.149) 5.915 10.218 ( -1.984 0.949 4.040) 4.600 10.274 ( -2.343 -1.565 1.267) 3.089 10.325 ( -1.263 0.080 -7.156) 7.267 10.340 ( -1.198 -0.589 -5.915) 6.064 11.569 ( -3.046 3.305 9.020) 10.077 11.677 ( -1.761 -0.777 0.646) 2.030 11.748 ( -1.024 -0.175 -3.077) 3.247 11.764 ( -1.999 -1.316 -6.201) 6.647 12.407 ( 10.147 1.945 7.157) 12.568 12.483 ( 7.271 1.225 3.615) 8.212 12.574 ( 7.672 0.576 0.851) 7.740 12.724 ( 7.297 -3.977 -8.346) 11.778 13.932 ( -4.218 1.612 0.291) 4.525 13.986 ( -5.429 4.952 -3.610) 8.187 14.102 ( -7.821 -5.433 9.022) 13.118 14.378 ( -12.107 -11.831 -15.132) 22.705 15.595 ( -0.105 9.031 8.004) 12.068 15.775 ( 0.557 13.201 -7.714) 15.300 15.995 ( 1.336 -7.388 11.099) 13.400 16.214 ( 6.733 -6.810 -8.136) 12.566 17.151 ( 2.736 6.901 8.494) 11.280 17.322 ( 7.562 2.612 -7.734) 11.127 17.478 ( -4.183 -5.140 -2.800) 7.194 17.507 ( -1.103 -3.466 -5.121) 6.281 22.394 ( -8.990 7.790 41.539) 43.209 22.768 ( -16.421 -8.401 27.786) 33.351 23.099 ( -4.381 3.312 -30.077) 30.575 23.247 ( -7.550 -3.006 -20.906) 22.430 ======================= Grid point 234 (82/90) ======================= q-point: ( 0.30 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -11.389 3.645 9.699) 15.397 1.606 ( -10.919 -3.847 9.582) 15.028 1.660 ( -10.326 4.657 -10.350) 15.344 1.776 ( -6.847 2.853 -3.064) 8.026 1.898 ( -8.410 2.549 -0.948) 8.838 1.984 ( -4.094 5.160 -5.289) 8.448 2.243 ( 2.167 -6.577 3.050) 7.567 2.261 ( 1.982 -8.535 0.819) 8.800 2.389 ( 2.262 0.837 7.436) 7.817 2.500 ( -4.198 -5.688 3.904) 8.075 2.551 ( -1.407 1.021 -6.940) 7.155 2.586 ( -3.581 -0.805 -3.661) 5.185 3.055 ( 0.811 4.511 5.455) 7.125 3.141 ( 2.549 6.696 -2.233) 7.505 3.296 ( 1.415 -4.263 4.921) 6.663 3.337 ( 8.219 2.833 4.592) 9.832 3.385 ( 0.886 -1.408 -0.494) 1.735 3.426 ( 3.640 1.957 -1.176) 4.297 3.578 ( 1.992 -5.601 5.193) 7.893 3.627 ( 1.711 -5.329 0.168) 5.599 3.785 ( 4.228 6.642 1.712) 8.057 3.829 ( 3.223 5.492 -1.685) 6.587 4.072 ( -2.607 -6.751 1.708) 7.436 4.118 ( -3.258 -6.699 -2.282) 7.791 4.484 ( -4.678 7.160 3.143) 9.112 4.558 ( -4.037 6.371 -4.454) 8.759 4.651 ( -3.483 -1.321 7.592) 8.457 4.747 ( 0.935 0.421 16.437) 16.469 4.752 ( -4.078 -1.760 2.134) 4.928 4.868 ( -3.527 -3.536 17.166) 17.878 5.148 ( -0.141 1.631 -16.319) 16.401 5.219 ( -3.225 -1.571 -15.487) 15.897 5.657 ( -3.055 3.123 10.427) 11.306 5.774 ( 0.753 0.755 1.386) 1.748 5.808 ( -2.008 -3.461 10.260) 11.013 5.852 ( -1.755 -1.833 9.399) 9.735 5.902 ( -0.414 3.055 -3.690) 4.808 5.986 ( 2.213 4.231 -9.221) 10.384 6.052 ( 0.692 -4.004 -7.462) 8.497 6.121 ( 0.849 -1.260 -10.476) 10.585 7.451 ( -0.628 0.549 21.215) 21.231 7.485 ( -0.799 -0.991 25.335) 25.367 7.725 ( -0.545 1.714 -5.604) 5.886 7.800 ( -0.499 -1.752 -8.145) 8.346 8.062 ( 1.776 1.971 7.304) 7.771 8.156 ( 0.562 -1.949 13.095) 13.251 8.317 ( 1.048 0.799 -11.110) 11.188 8.402 ( -0.277 -2.757 -2.144) 3.504 8.527 ( 0.249 2.461 -8.102) 8.471 8.606 ( 4.171 -0.119 -6.929) 8.088 8.678 ( 1.669 -2.784 -8.170) 8.791 8.707 ( 3.440 -2.039 -3.857) 5.556 9.332 ( 0.497 9.258 6.744) 11.464 9.465 ( 0.986 8.043 -5.577) 9.837 9.690 ( -1.546 -6.231 3.404) 7.266 9.771 ( -0.464 -4.884 -4.041) 6.356 10.187 ( -1.195 0.653 5.317) 5.489 10.225 ( -2.505 -1.177 3.049) 4.117 10.303 ( -0.918 0.221 -6.853) 6.918 10.319 ( -0.949 -0.515 -7.052) 7.134 11.516 ( -2.338 3.552 8.939) 9.899 11.649 ( -1.032 -0.682 -0.446) 1.315 11.722 ( -2.034 -1.819 -5.071) 5.759 11.737 ( -0.400 -0.962 -3.486) 3.639 12.591 ( 8.135 0.524 12.085) 14.577 12.630 ( 7.621 -0.535 8.104) 11.138 12.751 ( 10.060 2.856 -5.315) 11.731 12.877 ( 7.926 -2.593 -10.912) 13.733 13.865 ( -2.551 0.742 -0.944) 2.820 13.897 ( -3.731 2.877 -1.440) 4.926 13.954 ( -6.823 -1.543 4.488) 8.311 14.152 ( -10.469 -6.402 -11.132) 16.568 15.578 ( -1.498 6.812 7.427) 10.188 15.758 ( -2.004 11.349 -8.069) 14.068 15.933 ( -7.085 -7.312 13.622) 17.006 16.229 ( -5.855 -9.104 -13.014) 16.928 17.236 ( 5.684 3.205 13.556) 15.044 17.367 ( -0.070 -2.966 9.128) 9.598 17.532 ( 9.204 2.402 -15.018) 17.776 17.589 ( 6.648 -0.560 -11.778) 13.536 22.217 ( -8.543 4.892 46.969) 47.990 22.452 ( -15.047 -5.205 38.150) 41.340 23.013 ( -4.163 1.903 -33.066) 33.381 23.101 ( -7.091 -1.856 -27.145) 28.118 ======================= Grid point 235 (83/90) ======================= q-point: ( 0.40 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -8.820 3.312 5.501) 10.910 1.413 ( -7.991 0.663 -2.348) 8.355 1.461 ( -8.178 -1.554 0.142) 8.325 1.653 ( -5.798 -5.372 -10.028) 12.768 1.793 ( -2.569 10.048 4.935) 11.485 1.937 ( -0.810 9.866 -8.193) 12.850 2.240 ( -1.916 -9.757 3.328) 10.486 2.289 ( -0.117 -7.196 -1.303) 7.314 2.432 ( 1.793 -0.303 3.235) 3.712 2.450 ( 0.328 -0.629 2.605) 2.700 2.519 ( -1.813 -0.984 -0.662) 2.167 2.533 ( -1.988 -0.744 -1.791) 2.778 3.062 ( 0.058 2.611 6.710) 7.201 3.168 ( 0.390 6.415 -2.654) 6.953 3.280 ( -1.263 -5.248 7.977) 9.632 3.427 ( 2.680 -3.814 -5.439) 7.163 3.484 ( 5.844 2.256 3.479) 7.165 3.518 ( 4.480 1.939 1.100) 5.004 3.600 ( 0.280 -2.690 3.880) 4.730 3.674 ( 2.311 -3.210 -1.891) 4.384 3.876 ( 4.827 3.810 2.088) 6.495 3.900 ( 3.774 2.731 0.759) 4.720 4.027 ( -2.063 -1.910 1.175) 3.048 4.054 ( -3.289 -2.395 -0.720) 4.132 4.399 ( -3.480 5.113 3.917) 7.321 4.496 ( -1.929 4.201 -5.724) 7.358 4.573 ( -4.247 -2.412 4.171) 6.423 4.660 ( -4.464 -3.013 -3.995) 6.706 4.778 ( 1.387 0.345 20.828) 20.877 4.817 ( -1.607 -1.739 18.916) 19.064 5.141 ( -0.985 0.617 -13.412) 13.462 5.173 ( -0.993 -0.754 -15.453) 15.503 5.608 ( -1.776 3.020 8.973) 9.633 5.744 ( -2.476 -2.781 9.773) 10.458 5.764 ( -1.537 1.064 -4.089) 4.496 5.828 ( -1.312 -1.454 4.145) 4.584 5.912 ( 0.954 3.192 1.362) 3.599 6.025 ( 1.443 3.602 -8.882) 9.693 6.063 ( 0.553 -3.607 -3.740) 5.225 6.145 ( 1.073 -1.284 -9.831) 9.972 7.446 ( 0.105 0.629 22.313) 22.323 7.470 ( -0.652 -0.446 23.819) 23.832 7.718 ( -0.166 2.125 -4.627) 5.094 7.789 ( -0.502 -1.041 -9.742) 9.810 8.089 ( 0.973 1.524 6.204) 6.462 8.157 ( -0.299 -1.218 12.480) 12.543 8.334 ( 0.578 -0.070 -12.547) 12.561 8.394 ( -0.430 -3.243 -2.467) 4.097 8.530 ( 0.108 3.508 -4.388) 5.619 8.672 ( 2.325 0.917 -10.569) 10.860 8.707 ( 1.225 -4.563 -3.129) 5.667 8.766 ( 2.329 -2.385 -3.409) 4.768 9.344 ( 0.639 7.642 7.201) 10.520 9.497 ( 2.220 6.292 -6.321) 9.191 9.649 ( -2.523 -5.136 3.953) 6.955 9.764 ( -0.283 -4.578 -6.148) 7.670 10.169 ( -0.830 0.188 6.445) 6.501 10.187 ( -1.118 -0.725 5.116) 5.287 10.291 ( -0.286 0.221 -6.535) 6.545 10.305 ( -0.490 -0.364 -7.671) 7.695 11.481 ( -1.215 3.514 9.023) 9.759 11.638 ( 0.020 -1.303 -0.588) 1.430 11.683 ( -1.902 -1.520 -4.605) 5.210 11.732 ( -0.141 -1.490 -4.168) 4.429 12.713 ( 4.370 1.338 16.199) 16.831 12.765 ( 5.481 -1.099 8.767) 10.397 12.930 ( 7.297 2.431 -8.062) 11.143 13.013 ( 5.540 -1.444 -12.567) 13.809 13.827 ( -3.392 0.456 5.274) 6.287 13.832 ( -0.993 0.221 -1.529) 1.837 13.867 ( -1.872 2.559 -3.997) 5.102 13.989 ( -5.900 -2.397 -8.949) 10.984 15.555 ( -0.297 3.681 7.262) 8.148 15.728 ( -0.750 3.719 -4.497) 5.883 15.769 ( -7.688 -3.138 8.424) 11.828 16.033 ( -12.025 -6.982 -12.453) 18.666 17.348 ( 5.069 1.495 16.105) 16.950 17.405 ( 2.640 -1.013 14.631) 14.902 17.693 ( 6.381 1.408 -16.792) 18.019 17.719 ( 5.626 0.211 -16.968) 17.878 22.081 ( -5.048 2.761 51.193) 51.515 22.214 ( -8.794 -2.947 45.418) 46.355 22.947 ( -2.346 0.823 -35.400) 35.488 22.986 ( -4.348 -0.856 -31.954) 32.260 ======================= Grid point 236 (84/90) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 3.652 2.848) 4.631 1.329 ( 0.000 6.070 -13.793) 15.069 1.378 ( 0.000 -7.454 10.667) 13.014 1.590 ( 0.000 -7.011 -9.861) 12.099 1.771 ( 0.000 10.811 5.464) 12.114 1.934 ( 0.000 11.556 -10.125) 15.364 2.210 ( 0.000 -9.383 4.282) 10.314 2.281 ( 0.000 -5.629 -2.212) 6.048 2.452 ( 0.000 -0.843 1.970) 2.143 2.478 ( 0.000 -0.121 -0.748) 0.757 2.493 ( -0.000 -2.484 2.175) 3.302 2.506 ( -0.000 -0.976 0.554) 1.122 3.062 ( 0.000 2.112 6.715) 7.039 3.169 ( 0.000 6.662 -3.350) 7.457 3.268 ( 0.000 -6.446 9.987) 11.887 3.455 ( 0.000 -7.374 -8.117) 10.966 3.553 ( 0.000 0.807 3.203) 3.303 3.567 ( -0.000 0.255 8.316) 8.320 3.592 ( 0.000 2.538 -0.745) 2.645 3.696 ( 0.000 -1.123 -4.303) 4.447 3.947 ( 0.000 1.457 1.424) 2.038 3.956 ( 0.000 2.030 4.754) 5.169 3.985 ( -0.000 1.616 -2.185) 2.718 4.009 ( -0.000 0.490 1.182) 1.279 4.365 ( 0.000 3.474 4.835) 5.953 4.483 ( 0.000 2.512 -6.683) 7.139 4.520 ( 0.000 -3.310 3.474) 4.798 4.607 ( 0.000 -2.827 -4.637) 5.431 4.794 ( -0.000 0.004 20.808) 20.808 4.801 ( 0.000 -0.809 18.587) 18.604 5.126 ( 0.000 0.845 -12.366) 12.395 5.168 ( 0.000 -0.992 -15.059) 15.091 5.590 ( 0.000 2.885 8.276) 8.765 5.718 ( 0.000 -2.711 10.378) 10.727 5.747 ( 0.000 1.524 -6.335) 6.516 5.813 ( 0.000 -1.335 2.449) 2.790 5.923 ( 0.000 3.001 2.318) 3.792 6.039 ( 0.000 3.521 -8.832) 9.508 6.069 ( 0.000 -3.517 -2.401) 4.258 6.156 ( 0.000 -1.276 -9.399) 9.485 7.449 ( -0.000 0.509 23.713) 23.719 7.462 ( 0.000 -0.100 22.080) 22.080 7.716 ( 0.000 2.203 -4.052) 4.612 7.784 ( 0.000 -0.721 -10.539) 10.563 8.099 ( 0.000 1.252 5.496) 5.637 8.152 ( 0.000 -0.861 12.671) 12.701 8.339 ( 0.000 -0.425 -13.096) 13.103 8.389 ( 0.000 -3.360 -2.647) 4.277 8.531 ( 0.000 3.912 -2.824) 4.825 8.694 ( 0.000 1.871 -12.557) 12.695 8.720 ( 0.000 -5.563 -0.709) 5.608 8.790 ( 0.000 -2.354 -3.459) 4.184 9.352 ( 0.000 6.679 7.677) 10.176 9.531 ( 0.000 5.822 -9.315) 10.985 9.613 ( 0.000 -5.069 6.946) 8.599 9.761 ( 0.000 -4.365 -7.478) 8.659 10.158 ( 0.000 0.216 7.085) 7.089 10.179 ( -0.000 -0.765 5.924) 5.973 10.289 ( 0.000 0.179 -6.424) 6.426 10.300 ( 0.000 -0.288 -7.779) 7.784 11.469 ( 0.000 3.453 9.078) 9.713 11.646 ( -0.000 -4.347 4.156) 6.014 11.656 ( 0.000 1.448 -9.108) 9.223 11.731 ( 0.000 -1.701 -4.556) 4.864 12.757 ( 0.000 1.898 17.086) 17.191 12.821 ( 0.000 -1.194 9.496) 9.570 13.005 ( 0.000 2.130 -9.039) 9.287 13.071 ( 0.000 -1.004 -13.152) 13.191 13.791 ( 0.000 1.326 5.147) 5.315 13.823 ( 0.000 0.289 -1.459) 1.487 13.852 ( 0.000 2.064 -4.599) 5.040 13.931 ( 0.000 -0.952 -8.380) 8.434 15.566 ( 0.000 1.262 9.019) 9.107 15.654 ( -0.000 -2.533 9.347) 9.684 15.777 ( -0.000 0.297 -10.027) 10.031 15.861 ( 0.000 -3.276 -9.509) 10.058 17.403 ( 0.000 0.837 16.912) 16.933 17.433 ( 0.000 -0.472 15.704) 15.711 17.758 ( 0.000 1.142 -16.046) 16.086 17.778 ( 0.000 0.335 -19.784) 19.787 22.031 ( 0.000 1.967 52.841) 52.877 22.126 ( 0.000 -2.116 47.937) 47.983 22.926 ( -0.000 0.297 -36.520) 36.521 22.941 ( 0.000 -0.342 -33.485) 33.487 ======================= Grid point 242 (85/90) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 -3.973 8.778) 9.635 1.955 ( 0.000 3.973 8.778) 9.635 1.999 ( 0.000 -1.120 14.694) 14.737 1.999 ( 0.000 1.120 14.694) 14.737 2.053 ( 0.000 -4.125 -1.183) 4.291 2.053 ( 0.000 4.125 -1.183) 4.291 2.253 ( 0.000 -1.258 -9.442) 9.526 2.253 ( 0.000 1.258 -9.442) 9.526 2.525 ( 0.000 -11.033 7.828) 13.528 2.525 ( 0.000 11.033 7.828) 13.528 2.685 ( 0.000 -8.618 -6.754) 10.949 2.685 ( 0.000 8.618 -6.754) 10.949 2.990 ( 0.000 -1.496 1.256) 1.954 2.990 ( 0.000 1.496 1.256) 1.954 3.036 ( 0.000 -3.733 -3.228) 4.935 3.036 ( 0.000 3.733 -3.228) 4.935 3.409 ( 0.000 -3.086 8.853) 9.375 3.409 ( 0.000 3.086 8.853) 9.375 3.499 ( 0.000 -4.077 -0.337) 4.091 3.499 ( 0.000 4.077 -0.337) 4.091 3.963 ( 0.000 -12.192 3.986) 12.827 3.963 ( 0.000 12.192 3.986) 12.827 4.051 ( 0.000 -12.912 -4.860) 13.796 4.051 ( 0.000 12.912 -4.860) 13.796 4.662 ( 0.000 -5.346 14.561) 15.512 4.662 ( 0.000 5.346 14.561) 15.512 4.835 ( 0.000 -6.487 -1.844) 6.744 4.835 ( 0.000 6.487 -1.844) 6.744 4.940 ( 0.000 -6.937 10.999) 13.004 4.940 ( 0.000 6.937 10.999) 13.004 5.277 ( 0.000 -4.703 -17.149) 17.783 5.277 ( 0.000 4.703 -17.149) 17.783 5.616 ( 0.000 -2.898 10.197) 10.600 5.616 ( 0.000 2.898 10.197) 10.600 5.826 ( 0.000 -3.970 -7.581) 8.557 5.826 ( 0.000 3.970 -7.581) 8.557 5.940 ( 0.000 -7.386 8.133) 10.987 5.940 ( 0.000 7.386 8.133) 10.987 6.136 ( 0.000 -4.573 -7.894) 9.123 6.136 ( 0.000 4.573 -7.894) 9.123 7.500 ( 0.000 -0.163 20.136) 20.137 7.500 ( 0.000 0.163 20.136) 20.137 7.754 ( 0.000 -1.652 -6.258) 6.473 7.754 ( 0.000 1.652 -6.258) 6.473 8.023 ( 0.000 -3.173 13.800) 14.160 8.023 ( 0.000 3.173 13.800) 14.160 8.325 ( 0.000 -1.759 -3.879) 4.259 8.325 ( 0.000 1.759 -3.879) 4.259 8.497 ( 0.000 -0.827 -3.444) 3.542 8.497 ( 0.000 0.827 -3.444) 3.542 8.593 ( 0.000 -1.037 -17.074) 17.105 8.593 ( 0.000 1.037 -17.074) 17.105 9.543 ( 0.000 -11.571 6.790) 13.416 9.543 ( 0.000 11.571 6.790) 13.416 9.656 ( 0.000 -9.983 -4.539) 10.967 9.656 ( 0.000 9.983 -4.539) 10.967 10.293 ( 0.000 -1.125 1.215) 1.656 10.293 ( 0.000 1.125 1.215) 1.656 10.360 ( 0.000 -0.041 -6.015) 6.015 10.360 ( 0.000 0.041 -6.015) 6.015 11.694 ( 0.000 -2.353 5.819) 6.277 11.694 ( 0.000 2.353 5.819) 6.277 11.812 ( 0.000 -0.209 -5.867) 5.871 11.812 ( 0.000 0.209 -5.867) 5.871 12.274 ( 0.000 -8.616 9.018) 12.472 12.274 ( 0.000 8.616 9.018) 12.472 12.444 ( 0.000 -7.320 -6.576) 9.839 12.444 ( 0.000 7.320 -6.576) 9.839 14.137 ( 0.000 -6.275 7.719) 9.948 14.137 ( 0.000 6.275 7.719) 9.948 14.359 ( 0.000 -15.309 -13.924) 20.695 14.359 ( 0.000 15.309 -13.924) 20.695 15.721 ( 0.000 -5.355 8.149) 9.751 15.721 ( 0.000 5.355 8.149) 9.751 15.871 ( 0.000 -3.396 -5.849) 6.764 15.871 ( 0.000 3.396 -5.849) 6.764 17.339 ( 0.000 -10.881 2.937) 11.271 17.339 ( 0.000 10.881 2.937) 11.271 17.440 ( 0.000 -18.154 -6.691) 19.348 17.440 ( 0.000 18.154 -6.691) 19.348 22.872 ( 0.000 -16.713 25.340) 30.355 22.872 ( 0.000 16.713 25.340) 30.355 23.319 ( 0.000 -7.026 -20.863) 22.014 23.319 ( 0.000 7.026 -20.863) 22.014 ======================= Grid point 244 (86/90) ======================= q-point: ( 0.10 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -5.116 -4.435 10.747) 12.702 1.890 ( -5.116 4.435 10.747) 12.702 2.000 ( -2.117 -8.740 1.961) 9.204 2.000 ( -2.117 8.740 1.961) 9.204 2.067 ( 1.691 -2.304 6.416) 7.024 2.067 ( 1.691 2.304 6.416) 7.024 2.224 ( -3.637 -0.537 -6.446) 7.421 2.224 ( -3.637 0.537 -6.446) 7.421 2.491 ( -2.840 -9.927 6.514) 12.208 2.491 ( -2.840 9.927 6.514) 12.208 2.645 ( -2.683 -6.086 -7.422) 9.967 2.645 ( -2.683 6.086 -7.422) 9.967 3.037 ( 4.199 -1.752 1.829) 4.904 3.037 ( 4.199 1.752 1.829) 4.904 3.081 ( 4.055 -4.051 -2.508) 6.257 3.081 ( 4.055 4.051 -2.508) 6.257 3.410 ( -0.039 -3.537 8.510) 9.216 3.410 ( -0.039 3.537 8.510) 9.216 3.497 ( -0.263 -4.413 -0.352) 4.435 3.497 ( -0.263 4.413 -0.352) 4.435 3.949 ( -1.175 -12.145 3.324) 12.646 3.949 ( -1.175 12.145 3.324) 12.646 4.027 ( -2.085 -12.480 -4.427) 13.405 4.027 ( -2.085 12.480 -4.427) 13.405 4.659 ( -0.245 -4.648 13.417) 14.201 4.659 ( -0.245 4.648 13.417) 14.201 4.812 ( -2.291 -5.637 -1.629) 6.299 4.812 ( -2.291 5.637 -1.629) 6.299 4.914 ( -2.517 -6.201 11.824) 13.586 4.914 ( -2.517 6.201 11.824) 13.586 5.261 ( -1.519 -4.443 -17.386) 18.009 5.261 ( -1.519 4.443 -17.386) 18.009 5.652 ( 3.409 -2.853 10.033) 10.973 5.652 ( 3.409 2.853 10.033) 10.973 5.858 ( 2.514 -3.190 -4.008) 5.706 5.858 ( 2.514 3.190 -4.008) 5.706 5.916 ( -1.987 -6.123 4.956) 8.124 5.916 ( -1.987 6.123 4.956) 8.124 6.117 ( -1.863 -4.497 -8.267) 9.594 6.117 ( -1.863 4.497 -8.267) 9.594 7.493 ( -0.646 -0.447 20.936) 20.951 7.493 ( -0.646 0.447 20.936) 20.951 7.757 ( 0.293 -1.755 -6.378) 6.622 7.757 ( 0.293 1.755 -6.378) 6.622 8.040 ( 1.575 -3.292 12.992) 13.494 8.040 ( 1.575 3.292 12.992) 13.494 8.331 ( 0.577 -2.668 -4.838) 5.555 8.331 ( 0.577 2.668 -4.838) 5.555 8.508 ( 1.097 -0.917 -2.890) 3.225 8.508 ( 1.097 0.917 -2.890) 3.225 8.601 ( 0.852 -0.969 -15.996) 16.048 8.601 ( 0.852 0.969 -15.996) 16.048 9.540 ( -0.237 -11.479 6.646) 13.266 9.540 ( -0.237 11.479 6.646) 13.266 9.652 ( -0.327 -9.837 -4.529) 10.834 9.652 ( -0.327 9.837 -4.529) 10.834 10.278 ( -1.388 -1.532 1.546) 2.582 10.278 ( -1.388 1.532 1.546) 2.582 10.351 ( -0.902 -0.373 -6.230) 6.306 10.351 ( -0.902 0.373 -6.230) 6.306 11.677 ( -1.629 -2.583 5.671) 6.441 11.677 ( -1.629 2.583 5.671) 6.441 11.788 ( -2.054 -0.643 -5.398) 5.811 11.788 ( -2.054 0.643 -5.398) 5.811 12.329 ( 5.234 -6.446 8.845) 12.132 12.329 ( 5.234 6.446 8.845) 12.132 12.497 ( 5.210 -6.491 -6.664) 10.663 12.497 ( 5.210 6.491 -6.664) 10.663 14.088 ( -4.540 -5.717 6.969) 10.092 14.088 ( -4.540 5.717 6.969) 10.092 14.295 ( -6.029 -13.933 -13.047) 20.018 14.295 ( -6.029 13.933 -13.047) 20.018 15.758 ( 3.054 -8.308 9.635) 13.083 15.758 ( 3.054 8.308 9.635) 13.083 15.937 ( 5.780 -7.129 -7.097) 11.601 15.937 ( 5.780 7.129 -7.097) 11.601 17.336 ( -0.567 -6.235 1.528) 6.444 17.336 ( -0.567 6.235 1.528) 6.444 17.410 ( -1.934 -12.342 -5.531) 13.662 17.410 ( -1.934 12.342 -5.531) 13.662 22.788 ( -8.239 -15.176 28.110) 32.990 22.788 ( -8.239 15.176 28.110) 32.990 23.277 ( -4.049 -6.271 -22.165) 23.388 23.277 ( -4.049 6.271 -22.165) 23.388 ======================= Grid point 246 (87/90) ======================= q-point: ( 0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -9.832 -4.736 11.082) 15.553 1.747 ( -9.832 4.736 11.082) 15.553 1.930 ( -5.999 -7.017 -6.053) 11.040 1.930 ( -5.999 7.017 -6.053) 11.040 2.084 ( -0.119 -3.003 4.357) 5.293 2.084 ( -0.119 3.003 4.357) 5.293 2.125 ( -4.593 -1.715 -0.944) 4.992 2.125 ( -4.593 1.715 -0.944) 4.992 2.439 ( -1.937 -6.444 6.944) 9.669 2.439 ( -1.937 6.444 6.944) 9.669 2.609 ( -1.466 -2.549 -8.432) 8.930 2.609 ( -1.466 2.549 -8.432) 8.930 3.136 ( 4.686 -5.123 2.731) 7.461 3.136 ( 4.686 5.123 2.731) 7.461 3.170 ( 5.344 -3.818 -0.180) 6.570 3.170 ( 5.344 3.818 -0.180) 6.570 3.412 ( 0.694 -4.993 6.680) 8.369 3.412 ( 0.694 4.993 6.680) 8.369 3.489 ( -0.412 -5.642 -0.673) 5.697 3.489 ( -0.412 5.642 -0.673) 5.697 3.928 ( -0.752 -11.297 2.363) 11.566 3.928 ( -0.752 11.297 2.363) 11.566 3.989 ( -1.467 -11.131 -3.511) 11.764 3.989 ( -1.467 11.131 -3.511) 11.764 4.650 ( -1.014 -3.325 9.313) 9.941 4.650 ( -1.014 3.325 9.313) 9.941 4.751 ( -3.755 -4.253 -1.127) 5.784 4.751 ( -3.755 4.253 -1.127) 5.784 4.851 ( -3.593 -5.281 14.937) 16.246 4.851 ( -3.593 5.281 14.937) 16.246 5.224 ( -2.144 -3.666 -17.370) 17.882 5.224 ( -2.144 3.666 -17.370) 17.882 5.726 ( 3.327 -2.812 9.285) 10.256 5.726 ( 3.327 2.812 9.285) 10.256 5.838 ( -3.318 -5.649 11.118) 12.904 5.838 ( -3.318 5.649 11.118) 12.904 5.939 ( 3.017 -4.097 -9.152) 10.471 5.939 ( 3.017 4.097 -9.152) 10.471 6.075 ( -1.898 -4.548 -9.328) 10.550 6.075 ( -1.898 4.548 -9.328) 10.550 7.478 ( -0.800 -0.853 22.338) 22.369 7.478 ( -0.800 0.853 22.338) 22.369 7.762 ( 0.121 -2.012 -6.686) 6.984 7.762 ( 0.121 2.012 -6.686) 6.984 8.077 ( 1.968 -3.361 11.353) 12.002 8.077 ( 1.968 3.361 11.353) 12.002 8.343 ( 0.563 -3.290 -6.628) 7.421 8.343 ( 0.563 3.290 -6.628) 7.421 8.538 ( 1.943 -0.114 -2.109) 2.870 8.538 ( 1.943 0.114 -2.109) 2.870 8.626 ( 1.734 -0.568 -13.210) 13.335 8.626 ( 1.734 0.568 -13.210) 13.335 9.533 ( -0.562 -10.817 6.407) 12.585 9.533 ( -0.562 10.817 6.407) 12.585 9.646 ( -0.222 -9.140 -4.789) 10.321 9.646 ( -0.222 9.140 -4.789) 10.321 10.243 ( -2.100 -1.682 2.569) 3.720 10.243 ( -2.100 1.682 2.569) 3.720 10.329 ( -1.191 -0.475 -6.709) 6.830 10.329 ( -1.191 0.475 -6.709) 6.830 11.638 ( -2.228 -3.486 5.695) 7.039 11.638 ( -2.228 3.486 5.695) 7.039 11.747 ( -1.920 -0.334 -5.287) 5.635 11.747 ( -1.920 0.334 -5.287) 5.635 12.458 ( 7.599 -3.094 9.497) 12.550 12.458 ( 7.599 3.094 9.497) 12.550 12.635 ( 8.636 -5.144 -7.315) 12.432 12.635 ( 8.636 5.144 -7.315) 12.432 13.985 ( -5.538 -4.144 5.232) 8.673 13.985 ( -5.538 4.144 5.232) 8.673 14.155 ( -7.616 -10.802 -11.125) 17.276 14.155 ( -7.616 10.802 -11.125) 17.276 15.797 ( -0.042 -11.328 12.228) 16.668 15.797 ( -0.042 11.328 12.228) 16.668 16.037 ( 2.882 -12.025 -10.176) 16.014 16.037 ( 2.882 12.025 -10.176) 16.014 17.297 ( -2.112 -7.478 4.979) 9.229 17.297 ( -2.112 7.478 4.979) 9.229 17.436 ( 4.800 -3.117 -8.477) 10.228 17.436 ( 4.800 3.117 -8.477) 10.228 22.577 ( -12.591 -11.355 34.990) 38.881 22.577 ( -12.591 11.355 34.990) 38.881 23.175 ( -6.068 -4.549 -25.746) 26.840 23.175 ( -6.068 4.549 -25.746) 26.840 ======================= Grid point 248 (88/90) ======================= q-point: ( 0.30 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -11.825 -4.660 10.521) 16.499 1.527 ( -11.825 4.660 10.521) 16.499 1.750 ( -11.245 -4.323 -11.148) 16.413 1.750 ( -11.245 4.323 -11.148) 16.413 2.047 ( -2.161 -10.945 3.842) 11.800 2.047 ( -2.161 10.945 3.842) 11.800 2.110 ( 0.986 -6.812 -1.616) 7.070 2.110 ( 0.986 6.812 -1.616) 7.070 2.422 ( 0.071 -2.843 7.366) 7.896 2.422 ( 0.071 2.843 7.366) 7.896 2.570 ( -2.604 -0.936 -6.781) 7.324 2.570 ( -2.604 0.936 -6.781) 7.324 3.170 ( -0.399 -6.687 6.994) 9.685 3.170 ( -0.399 6.687 6.994) 9.685 3.285 ( 4.326 -5.972 -3.931) 8.357 3.285 ( 4.326 5.972 -3.931) 8.357 3.452 ( 3.485 -4.654 4.917) 7.615 3.452 ( 3.485 4.654 4.917) 7.615 3.507 ( 3.163 -4.356 0.105) 5.384 3.507 ( 3.163 4.356 0.105) 5.384 3.928 ( 0.801 -7.479 1.954) 7.771 3.928 ( 0.801 7.479 1.954) 7.771 3.976 ( 0.101 -7.680 -2.561) 8.096 3.976 ( 0.101 7.680 -2.561) 8.097 4.599 ( -4.398 -4.647 4.201) 7.654 4.599 ( -4.398 4.647 4.201) 7.654 4.672 ( -4.357 -5.484 -2.823) 7.551 4.672 ( -4.357 5.484 -2.823) 7.551 4.797 ( -1.463 -3.629 20.389) 20.762 4.797 ( -1.463 3.629 20.389) 20.762 5.184 ( -1.813 -2.115 -16.325) 16.561 5.184 ( -1.813 2.115 -16.325) 16.561 5.730 ( -2.810 -4.483 10.574) 11.824 5.730 ( -2.810 4.483 10.574) 11.824 5.808 ( 0.003 -2.455 5.346) 5.883 5.808 ( 0.003 2.455 5.346) 5.883 5.973 ( 0.641 -4.399 -5.020) 6.706 5.973 ( 0.641 4.399 -5.020) 6.706 6.069 ( 1.295 -4.179 -10.373) 11.258 6.069 ( 1.295 4.179 -10.373) 11.258 7.465 ( -0.496 -1.002 23.114) 23.141 7.465 ( -0.496 1.002 23.114) 23.141 7.762 ( -0.098 -2.221 -7.033) 7.376 7.762 ( -0.098 2.221 -7.033) 7.376 8.109 ( 1.242 -2.919 9.816) 10.316 8.109 ( 1.242 2.919 9.816) 10.316 8.349 ( 0.045 -2.640 -7.565) 8.013 8.349 ( 0.045 2.640 -7.565) 8.013 8.577 ( 1.841 -2.784 -2.048) 3.916 8.577 ( 1.841 2.784 -2.048) 3.916 8.669 ( 2.563 -1.610 -10.141) 10.583 8.669 ( 2.563 1.610 -10.141) 10.583 9.518 ( -0.933 -9.339 6.552) 11.446 9.518 ( -0.933 9.339 6.552) 11.446 9.645 ( 0.183 -7.867 -5.853) 9.807 9.645 ( 0.183 7.867 -5.853) 9.807 10.203 ( -1.855 -1.104 4.188) 4.712 10.203 ( -1.855 1.104 4.188) 4.712 10.309 ( -0.860 -0.472 -7.104) 7.171 10.309 ( -0.860 0.472 -7.104) 7.171 11.596 ( -1.967 -4.571 6.134) 7.898 11.596 ( -1.967 4.571 6.134) 7.898 11.717 ( -1.240 -0.971 -5.933) 6.138 11.717 ( -1.240 0.971 -5.933) 6.138 12.611 ( 7.706 -1.360 11.151) 13.622 12.611 ( 7.706 1.360 11.151) 13.622 12.816 ( 9.410 -3.783 -8.670) 13.343 12.816 ( 9.410 3.783 -8.670) 13.343 13.889 ( -3.995 -1.936 3.323) 5.545 13.889 ( -3.995 1.936 3.323) 5.545 14.019 ( -6.008 -7.063 -8.982) 12.910 14.019 ( -6.008 7.063 -8.982) 12.910 15.747 ( -4.685 -10.424 12.548) 16.972 15.747 ( -4.685 10.424 12.548) 16.972 16.012 ( -5.248 -13.534 -12.304) 19.029 16.012 ( -5.248 13.534 -12.304) 19.029 17.304 ( 2.872 -3.855 12.073) 12.995 17.304 ( 2.872 3.855 12.073) 12.995 17.570 ( 8.109 -1.577 -13.921) 16.188 17.570 ( 8.109 1.577 -13.921) 16.188 22.333 ( -11.739 -7.128 42.687) 44.842 22.333 ( -11.739 7.128 42.687) 44.842 23.057 ( -5.670 -2.675 -30.208) 30.851 23.057 ( -5.670 2.675 -30.208) 30.851 ======================= Grid point 250 (89/90) ======================= q-point: ( 0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -7.964 -5.754 8.876) 13.240 1.325 ( -7.964 5.754 8.876) 13.240 1.547 ( -8.437 -6.177 -12.261) 16.114 1.547 ( -8.437 6.177 -12.261) 16.114 2.011 ( -1.441 -12.518 5.217) 13.638 2.011 ( -1.441 12.518 5.217) 13.638 2.128 ( 0.740 -9.221 -5.877) 10.959 2.128 ( 0.740 9.221 -5.877) 10.959 2.436 ( 1.150 -0.810 5.247) 5.432 2.436 ( 1.150 0.810 5.247) 5.432 2.516 ( -2.538 -0.742 -2.968) 3.975 2.516 ( -2.538 0.742 -2.968) 3.975 3.153 ( -0.887 -6.464 8.811) 10.963 3.153 ( -0.887 6.464 8.811) 10.963 3.313 ( -0.265 -7.547 -6.708) 10.101 3.313 ( -0.265 7.547 -6.708) 10.101 3.532 ( 3.588 -1.904 5.687) 6.989 3.532 ( 3.588 1.904 5.687) 6.989 3.596 ( 4.714 -3.598 -0.501) 5.951 3.596 ( 4.714 3.598 -0.501) 5.951 3.955 ( 1.611 -2.621 1.600) 3.467 3.955 ( 1.611 2.621 1.600) 3.467 3.990 ( 1.225 -2.917 -1.469) 3.489 3.990 ( 1.225 2.917 -1.469) 3.489 4.499 ( -4.993 -5.138 3.840) 8.128 4.499 ( -4.993 5.138 3.840) 8.128 4.587 ( -3.896 -4.782 -4.609) 7.700 4.587 ( -3.896 4.782 -4.609) 7.700 4.789 ( 0.229 -1.041 20.663) 20.691 4.789 ( 0.229 1.041 20.663) 20.691 5.156 ( -1.002 -0.945 -14.591) 14.656 5.156 ( -1.002 0.945 -14.591) 14.656 5.676 ( -2.109 -4.116 9.927) 10.951 5.676 ( -2.109 4.116 9.927) 10.951 5.794 ( -1.128 -1.999 -0.158) 2.300 5.794 ( -1.128 1.999 -0.158) 2.300 5.986 ( 0.699 -4.470 -0.780) 4.591 5.986 ( 0.699 4.470 -0.780) 4.591 6.098 ( 1.209 -3.721 -9.939) 10.682 6.098 ( 1.209 3.721 -9.939) 10.682 7.459 ( -0.144 -0.717 23.217) 23.228 7.459 ( -0.144 0.717 23.217) 23.228 7.760 ( -0.089 -2.159 -7.259) 7.574 7.760 ( -0.089 2.159 -7.259) 7.574 8.124 ( 0.400 -2.122 8.750) 9.012 8.124 ( 0.400 2.122 8.750) 9.012 8.347 ( -0.187 -1.710 -7.757) 7.945 8.347 ( -0.187 1.710 -7.757) 7.945 8.605 ( 1.010 -4.766 -1.453) 5.084 8.605 ( 1.010 4.766 -1.453) 5.084 8.717 ( 2.070 -2.592 -8.908) 9.506 8.717 ( 2.070 2.592 -8.908) 9.506 9.500 ( -0.815 -8.155 7.148) 10.875 9.500 ( -0.815 8.155 7.148) 10.875 9.651 ( 0.280 -7.072 -7.437) 10.267 9.651 ( 0.280 7.072 -7.437) 10.267 10.175 ( -0.985 -0.504 5.847) 5.951 10.175 ( -0.985 0.504 5.847) 5.951 10.297 ( -0.360 -0.407 -7.237) 7.258 10.297 ( -0.360 0.407 -7.237) 7.258 11.565 ( -1.171 -5.184 6.618) 8.488 11.565 ( -1.171 5.184 6.618) 8.488 11.698 ( -0.645 -1.948 -6.672) 6.980 11.698 ( -0.645 1.948 -6.672) 6.980 12.741 ( 5.148 -1.528 12.857) 13.933 12.741 ( 5.148 1.528 12.857) 13.933 12.977 ( 6.490 -2.432 -10.192) 12.325 12.977 ( 6.490 2.432 -10.192) 12.325 13.833 ( -1.847 -0.235 1.987) 2.723 13.833 ( -1.847 0.235 1.987) 2.723 13.930 ( -3.111 -3.805 -7.222) 8.735 13.930 ( -3.111 3.805 -7.222) 8.735 15.649 ( -4.390 -6.175 10.218) 12.721 15.649 ( -4.390 6.175 10.218) 12.721 15.878 ( -6.894 -8.975 -10.878) 15.698 15.878 ( -6.894 8.975 -10.878) 15.698 17.379 ( 3.806 -1.702 15.739) 16.282 17.379 ( 3.806 1.702 15.739) 16.282 17.715 ( 5.935 -0.758 -17.141) 18.155 17.715 ( 5.935 0.758 -17.141) 18.155 22.147 ( -6.899 -4.040 48.355) 49.012 22.147 ( -6.899 4.040 48.355) 49.012 22.967 ( -3.357 -1.192 -33.721) 33.908 22.967 ( -3.357 1.192 -33.721) 33.908 ======================= Grid point 252 (90/90) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.000 -6.769 7.804) 10.330 1.244 ( 0.000 6.769 7.804) 10.330 1.459 ( 0.000 -7.485 -12.381) 14.468 1.459 ( 0.000 7.485 -12.381) 14.468 1.996 ( 0.000 -13.016 5.789) 14.245 1.996 ( 0.000 13.016 5.789) 14.245 2.136 ( 0.000 -9.906 -7.801) 12.609 2.136 ( 0.000 9.906 -7.801) 12.609 2.454 ( 0.000 -1.346 3.346) 3.606 2.454 ( 0.000 1.346 3.346) 3.606 2.485 ( -0.000 -0.969 -0.280) 1.009 2.485 ( -0.000 0.969 -0.281) 1.009 3.143 ( 0.000 -6.323 9.079) 11.064 3.143 ( 0.000 6.323 9.079) 11.064 3.307 ( 0.000 -8.210 -6.789) 10.653 3.307 ( 0.000 8.210 -6.789) 10.653 3.568 ( 0.000 -0.496 6.282) 6.302 3.568 ( 0.000 0.496 6.282) 6.302 3.647 ( 0.000 -3.299 -1.610) 3.671 3.647 ( 0.000 3.299 -1.610) 3.671 3.973 ( 0.000 -0.681 1.625) 1.762 3.973 ( 0.000 0.681 1.625) 1.762 4.008 ( 0.000 -0.669 -1.176) 1.353 4.008 ( 0.000 0.669 -1.176) 1.353 4.442 ( 0.000 -4.721 4.361) 6.427 4.442 ( 0.000 4.721 4.361) 6.427 4.544 ( 0.000 -3.760 -5.349) 6.539 4.544 ( 0.000 3.760 -5.349) 6.539 4.793 ( 0.000 -0.029 20.064) 20.064 4.793 ( 0.000 0.029 20.064) 20.064 5.146 ( 0.000 -1.247 -13.719) 13.776 5.146 ( 0.000 1.247 -13.719) 13.776 5.655 ( 0.000 -3.858 9.401) 10.162 5.655 ( 0.000 3.858 9.401) 10.162 5.781 ( 0.000 -1.980 -1.792) 2.670 5.781 ( 0.000 1.980 -1.792) 2.671 5.994 ( 0.000 -4.390 0.500) 4.418 5.994 ( 0.000 4.390 0.500) 4.418 6.110 ( 0.000 -3.616 -9.714) 10.365 6.110 ( 0.000 3.616 -9.714) 10.365 7.458 ( 0.000 -0.354 23.161) 23.164 7.458 ( 0.000 0.354 23.161) 23.164 7.759 ( 0.000 -2.046 -7.329) 7.609 7.759 ( 0.000 2.046 -7.329) 7.609 8.128 ( 0.000 -1.701 8.375) 8.546 8.128 ( 0.000 1.701 8.375) 8.546 8.345 ( 0.000 -1.326 -7.788) 7.900 8.345 ( 0.000 1.326 -7.788) 7.900 8.615 ( 0.000 -5.370 -0.930) 5.450 8.615 ( 0.000 5.370 -0.930) 5.450 8.739 ( 0.000 -2.844 -8.858) 9.303 8.739 ( 0.000 2.844 -8.858) 9.303 9.491 ( 0.000 -7.798 7.511) 10.827 9.491 ( 0.000 7.798 7.511) 10.827 9.654 ( 0.000 -6.927 -8.223) 10.752 9.654 ( 0.000 6.927 -8.223) 10.752 10.165 ( -0.000 -0.604 6.575) 6.603 10.165 ( 0.000 0.604 6.575) 6.603 10.294 ( 0.000 -0.326 -7.238) 7.246 10.294 ( 0.000 0.326 -7.238) 7.246 11.553 ( 0.000 -5.340 6.815) 8.658 11.553 ( 0.000 5.340 6.815) 8.658 11.692 ( 0.000 -2.297 -6.979) 7.347 11.692 ( 0.000 2.297 -6.979) 7.347 12.793 ( 0.000 -1.848 13.587) 13.712 12.793 ( 0.000 1.848 13.587) 13.712 13.044 ( 0.000 -1.898 -10.912) 11.075 13.044 ( 0.000 1.898 -10.912) 11.075 13.815 ( 0.000 -1.021 1.593) 1.892 13.815 ( 0.000 1.021 1.593) 1.892 13.899 ( 0.000 -2.461 -6.543) 6.991 13.899 ( 0.000 2.461 -6.543) 6.991 15.603 ( 0.000 -2.652 8.534) 8.937 15.603 ( 0.000 2.652 8.534) 8.937 15.802 ( 0.000 -2.597 -9.406) 9.758 15.802 ( 0.000 2.597 -9.406) 9.758 17.420 ( 0.000 -0.901 16.675) 16.700 17.420 ( 0.000 0.901 16.675) 16.700 17.776 ( 0.000 -0.602 -18.155) 18.165 17.776 ( 0.000 0.602 -18.155) 18.165 22.078 ( 0.000 -2.891 50.419) 50.502 22.078 ( 0.000 2.891 50.419) 50.502 22.933 ( 0.000 -0.454 -35.032) 35.035 22.933 ( 0.000 0.454 -35.032) 35.035 =================== 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 3/30240 10.0 205.723 230.761 289.267 0.000 0.000 -0.000 3/30240 20.0 30.329 39.986 51.544 0.000 0.000 -0.000 3/30240 30.0 11.984 17.187 21.632 0.000 0.000 -0.000 3/30240 40.0 6.806 10.198 12.867 0.000 0.000 -0.000 3/30240 50.0 4.632 7.111 9.129 0.000 0.000 -0.000 3/30240 60.0 3.490 5.438 7.149 0.000 0.000 -0.000 3/30240 70.0 2.799 4.405 5.943 0.000 0.000 -0.000 3/30240 80.0 2.341 3.709 5.135 0.000 0.000 -0.000 3/30240 90.0 2.016 3.212 4.555 0.000 0.000 -0.000 3/30240 100.0 1.775 2.839 4.120 0.000 0.000 -0.000 3/30240 110.0 1.590 2.550 3.781 0.000 0.000 -0.000 3/30240 120.0 1.444 2.319 3.511 0.000 0.000 -0.000 3/30240 130.0 1.325 2.132 3.291 0.000 0.000 -0.000 3/30240 140.0 1.228 1.976 3.109 0.000 0.000 -0.000 3/30240 150.0 1.147 1.845 2.958 0.000 0.000 -0.000 3/30240 160.0 1.078 1.734 2.829 0.000 0.000 -0.000 3/30240 170.0 1.019 1.637 2.719 0.000 0.000 -0.000 3/30240 180.0 0.968 1.553 2.623 0.000 0.000 -0.000 3/30240 190.0 0.922 1.479 2.539 0.000 0.000 -0.000 3/30240 200.0 0.882 1.413 2.464 0.000 0.000 -0.000 3/30240 210.0 0.846 1.353 2.396 0.000 0.000 -0.000 3/30240 220.0 0.814 1.300 2.335 0.000 0.000 -0.000 3/30240 230.0 0.784 1.251 2.278 0.000 0.000 -0.000 3/30240 240.0 0.757 1.206 2.226 0.000 0.000 -0.000 3/30240 250.0 0.732 1.165 2.177 0.000 0.000 -0.000 3/30240 260.0 0.709 1.127 2.131 0.000 0.000 -0.000 3/30240 270.0 0.688 1.092 2.087 0.000 0.000 -0.000 3/30240 280.0 0.668 1.059 2.045 0.000 0.000 -0.000 3/30240 290.0 0.649 1.028 2.005 0.000 0.000 -0.000 3/30240 300.0 0.632 0.999 1.966 0.000 0.000 -0.000 3/30240 310.0 0.615 0.972 1.929 0.000 0.000 -0.000 3/30240 320.0 0.599 0.946 1.894 0.000 0.000 -0.000 3/30240 330.0 0.584 0.922 1.859 0.000 0.000 -0.000 3/30240 340.0 0.570 0.898 1.826 0.000 0.000 -0.000 3/30240 350.0 0.557 0.877 1.793 0.000 0.000 -0.000 3/30240 360.0 0.544 0.856 1.762 0.000 0.000 -0.000 3/30240 370.0 0.532 0.836 1.731 0.000 0.000 -0.000 3/30240 380.0 0.520 0.817 1.701 0.000 0.000 -0.000 3/30240 390.0 0.509 0.799 1.673 0.000 0.000 -0.000 3/30240 400.0 0.498 0.781 1.645 0.000 0.000 -0.000 3/30240 410.0 0.488 0.765 1.617 0.000 0.000 -0.000 3/30240 420.0 0.478 0.749 1.591 0.000 0.000 -0.000 3/30240 430.0 0.469 0.734 1.565 0.000 0.000 -0.000 3/30240 440.0 0.459 0.719 1.540 0.000 0.000 -0.000 3/30240 450.0 0.451 0.705 1.515 0.000 0.000 -0.000 3/30240 460.0 0.442 0.691 1.491 0.000 0.000 -0.000 3/30240 470.0 0.434 0.678 1.468 0.000 0.000 -0.000 3/30240 480.0 0.426 0.666 1.445 0.000 0.000 -0.000 3/30240 490.0 0.418 0.653 1.423 0.000 0.000 -0.000 3/30240 500.0 0.411 0.642 1.402 0.000 0.000 -0.000 3/30240 510.0 0.404 0.630 1.381 0.000 0.000 -0.000 3/30240 520.0 0.397 0.619 1.361 0.000 0.000 -0.000 3/30240 530.0 0.390 0.609 1.341 0.000 0.000 -0.000 3/30240 540.0 0.384 0.599 1.321 0.000 0.000 -0.000 3/30240 550.0 0.378 0.589 1.302 0.000 0.000 -0.000 3/30240 560.0 0.372 0.579 1.284 0.000 0.000 -0.000 3/30240 570.0 0.366 0.570 1.266 0.000 0.000 -0.000 3/30240 580.0 0.360 0.561 1.248 0.000 0.000 -0.000 3/30240 590.0 0.355 0.552 1.231 0.000 0.000 -0.000 3/30240 600.0 0.349 0.544 1.214 0.000 0.000 -0.000 3/30240 610.0 0.344 0.535 1.198 0.000 0.000 -0.000 3/30240 620.0 0.339 0.527 1.182 0.000 0.000 -0.000 3/30240 630.0 0.334 0.520 1.167 0.000 0.000 -0.000 3/30240 640.0 0.329 0.512 1.151 0.000 0.000 -0.000 3/30240 650.0 0.325 0.505 1.137 0.000 0.000 -0.000 3/30240 660.0 0.320 0.498 1.122 0.000 0.000 -0.000 3/30240 670.0 0.316 0.491 1.108 0.000 0.000 -0.000 3/30240 680.0 0.311 0.484 1.094 0.000 0.000 -0.000 3/30240 690.0 0.307 0.477 1.081 0.000 0.000 -0.000 3/30240 700.0 0.303 0.471 1.067 0.000 0.000 -0.000 3/30240 710.0 0.299 0.465 1.054 0.000 0.000 -0.000 3/30240 720.0 0.295 0.459 1.042 0.000 0.000 -0.000 3/30240 730.0 0.292 0.453 1.029 0.000 0.000 -0.000 3/30240 740.0 0.288 0.447 1.017 0.000 0.000 -0.000 3/30240 750.0 0.284 0.441 1.005 0.000 0.000 -0.000 3/30240 760.0 0.281 0.436 0.994 0.000 0.000 -0.000 3/30240 770.0 0.277 0.430 0.982 0.000 0.000 -0.000 3/30240 780.0 0.274 0.425 0.971 0.000 0.000 -0.000 3/30240 790.0 0.271 0.420 0.960 0.000 0.000 -0.000 3/30240 800.0 0.268 0.415 0.950 0.000 0.000 -0.000 3/30240 810.0 0.265 0.410 0.939 0.000 0.000 -0.000 3/30240 820.0 0.262 0.406 0.929 0.000 0.000 -0.000 3/30240 830.0 0.259 0.401 0.919 0.000 0.000 -0.000 3/30240 840.0 0.256 0.396 0.909 0.000 0.000 -0.000 3/30240 850.0 0.253 0.392 0.900 0.000 0.000 -0.000 3/30240 860.0 0.250 0.387 0.890 0.000 0.000 -0.000 3/30240 870.0 0.247 0.383 0.881 0.000 0.000 -0.000 3/30240 880.0 0.245 0.379 0.872 0.000 0.000 -0.000 3/30240 890.0 0.242 0.375 0.863 0.000 0.000 -0.000 3/30240 900.0 0.239 0.371 0.854 0.000 0.000 -0.000 3/30240 910.0 0.237 0.367 0.846 0.000 0.000 -0.000 3/30240 920.0 0.234 0.363 0.838 0.000 0.000 -0.000 3/30240 930.0 0.232 0.359 0.829 0.000 0.000 -0.000 3/30240 940.0 0.230 0.356 0.821 0.000 0.000 -0.000 3/30240 950.0 0.227 0.352 0.813 0.000 0.000 -0.000 3/30240 960.0 0.225 0.349 0.806 0.000 0.000 -0.000 3/30240 970.0 0.223 0.345 0.798 0.000 0.000 -0.000 3/30240 980.0 0.221 0.342 0.790 0.000 0.000 -0.000 3/30240 990.0 0.219 0.338 0.783 0.000 0.000 -0.000 3/30240 1000.0 0.216 0.335 0.776 0.000 0.000 -0.000 3/30240 Thermal conductivity related properties were written into "kappa-m1049.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:41:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|