----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:20:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.663552449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.869096660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.341160280000000 Atomic positions (fractional): *1 La 0.88403200436499 0.75000000000000 0.08316806979958 138.905 *2 La 0.86695128488483 0.75000000000000 0.74384303276898 138.905 3 La 0.63304871511517 0.25000000000000 0.24384303276898 138.905 4 La 0.61596799563501 0.25000000000000 0.58316806979958 138.905 5 La 0.38403200436499 0.75000000000000 0.41683193020042 138.905 6 La 0.36695128488483 0.75000000000000 0.75615696723102 138.905 7 La 0.13304871511517 0.25000000000000 0.25615696723102 138.905 8 La 0.11596799563501 0.25000000000000 0.91683193020042 138.905 *9 Hf 0.87835791869654 0.75000000000000 0.42960507674854 178.490 10 Hf 0.62164208130346 0.25000000000000 0.92960507674854 178.490 11 Hf 0.37835791869654 0.75000000000000 0.07039492325146 178.490 12 Hf 0.12164208130346 0.25000000000000 0.57039492325146 178.490 *13 O 0.89225437382517 0.25000000000000 0.17281597187037 15.999 *14 O 0.90842719004669 0.25000000000000 0.46728852331001 15.999 *15 O 0.91268058135152 0.25000000000000 0.65183553477708 15.999 *16 O 0.84989495002975 0.25000000000000 0.99824517628713 15.999 *17 O 0.71321827876964 0.75000000000000 0.33247806581371 15.999 18 O 0.78678172123036 0.25000000000000 0.83247806581371 15.999 19 O 0.65010504997025 0.75000000000000 0.49824517628713 15.999 20 O 0.58731941864848 0.75000000000000 0.15183553477708 15.999 21 O 0.59157280995331 0.75000000000000 0.96728852331001 15.999 22 O 0.60774562617483 0.75000000000000 0.67281597187037 15.999 23 O 0.39225437382517 0.25000000000000 0.32718402812963 15.999 24 O 0.40842719004669 0.25000000000000 0.03271147668999 15.999 25 O 0.41268058135152 0.25000000000000 0.84816446522292 15.999 26 O 0.34989495002975 0.25000000000000 0.50175482371287 15.999 27 O 0.21321827876964 0.75000000000000 0.16752193418629 15.999 28 O 0.28678172123036 0.25000000000000 0.66752193418629 15.999 29 O 0.15010504997025 0.75000000000000 0.00175482371287 15.999 30 O 0.08731941864848 0.75000000000000 0.34816446522292 15.999 31 O 0.09157280995331 0.75000000000000 0.53271147668999 15.999 32 O 0.10774562617483 0.75000000000000 0.82718402812963 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.663552449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.869096660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.341160280000000 Atomic positions (fractional): *1 La 0.88403200436499 0.75000000000000 0.08316806979958 138.905 > 1 *2 La 0.86695128488483 0.75000000000000 0.74384303276898 138.905 > 2 3 La 0.63304871511517 0.25000000000000 0.24384303276898 138.905 > 3 4 La 0.61596799563501 0.25000000000000 0.58316806979958 138.905 > 4 5 La 0.38403200436499 0.75000000000000 0.41683193020042 138.905 > 5 6 La 0.36695128488483 0.75000000000000 0.75615696723102 138.905 > 6 7 La 0.13304871511517 0.25000000000000 0.25615696723102 138.905 > 7 8 La 0.11596799563501 0.25000000000000 0.91683193020042 138.905 > 8 *9 Hf 0.87835791869654 0.75000000000000 0.42960507674854 178.490 > 9 10 Hf 0.62164208130346 0.25000000000000 0.92960507674854 178.490 > 10 11 Hf 0.37835791869654 0.75000000000000 0.07039492325146 178.490 > 11 12 Hf 0.12164208130346 0.25000000000000 0.57039492325146 178.490 > 12 *13 O 0.89225437382517 0.25000000000000 0.17281597187037 15.999 > 13 *14 O 0.90842719004669 0.25000000000000 0.46728852331001 15.999 > 14 *15 O 0.91268058135152 0.25000000000000 0.65183553477708 15.999 > 15 *16 O 0.84989495002975 0.25000000000000 0.99824517628713 15.999 > 16 *17 O 0.71321827876964 0.75000000000000 0.33247806581371 15.999 > 17 18 O 0.78678172123036 0.25000000000000 0.83247806581371 15.999 > 18 19 O 0.65010504997025 0.75000000000000 0.49824517628713 15.999 > 19 20 O 0.58731941864848 0.75000000000000 0.15183553477708 15.999 > 20 21 O 0.59157280995331 0.75000000000000 0.96728852331001 15.999 > 21 22 O 0.60774562617483 0.75000000000000 0.67281597187037 15.999 > 22 23 O 0.39225437382517 0.25000000000000 0.32718402812963 15.999 > 23 24 O 0.40842719004669 0.25000000000000 0.03271147668999 15.999 > 24 25 O 0.41268058135152 0.25000000000000 0.84816446522292 15.999 > 25 26 O 0.34989495002975 0.25000000000000 0.50175482371287 15.999 > 26 27 O 0.21321827876964 0.75000000000000 0.16752193418629 15.999 > 27 28 O 0.28678172123036 0.25000000000000 0.66752193418629 15.999 > 28 29 O 0.15010504997025 0.75000000000000 0.00175482371287 15.999 > 29 30 O 0.08731941864848 0.75000000000000 0.34816446522292 15.999 > 30 31 O 0.09157280995331 0.75000000000000 0.53271147668999 15.999 > 31 32 O 0.10774562617483 0.75000000000000 0.82718402812963 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.327104899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.738193320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.341160280000000 Atomic positions (fractional): *1 La 0.44201600218250 0.37500000000000 0.08316806979958 138.905 > 1 2 La 0.94201600218250 0.37500000000000 0.08316806979958 138.905 > 1 3 La 0.44201600218250 0.87500000000000 0.08316806979958 138.905 > 1 4 La 0.94201600218250 0.87500000000000 0.08316806979958 138.905 > 1 *5 La 0.43347564244242 0.37500000000000 0.74384303276898 138.905 > 2 6 La 0.93347564244242 0.37500000000000 0.74384303276898 138.905 > 2 7 La 0.43347564244242 0.87500000000000 0.74384303276898 138.905 > 2 8 La 0.93347564244242 0.87500000000000 0.74384303276898 138.905 > 2 9 La 0.31652435755758 0.12500000000000 0.24384303276898 138.905 > 3 10 La 0.81652435755758 0.12500000000000 0.24384303276898 138.905 > 3 11 La 0.31652435755758 0.62500000000000 0.24384303276898 138.905 > 3 12 La 0.81652435755758 0.62500000000000 0.24384303276898 138.905 > 3 13 La 0.30798399781750 0.12500000000000 0.58316806979958 138.905 > 4 14 La 0.80798399781750 0.12500000000000 0.58316806979958 138.905 > 4 15 La 0.30798399781750 0.62500000000000 0.58316806979958 138.905 > 4 16 La 0.80798399781750 0.62500000000000 0.58316806979958 138.905 > 4 17 La 0.19201600218250 0.37500000000000 0.41683193020042 138.905 > 5 18 La 0.69201600218250 0.37500000000000 0.41683193020042 138.905 > 5 19 La 0.19201600218250 0.87500000000000 0.41683193020042 138.905 > 5 20 La 0.69201600218250 0.87500000000000 0.41683193020042 138.905 > 5 21 La 0.18347564244242 0.37500000000000 0.75615696723102 138.905 > 6 22 La 0.68347564244242 0.37500000000000 0.75615696723102 138.905 > 6 23 La 0.18347564244242 0.87500000000000 0.75615696723102 138.905 > 6 24 La 0.68347564244242 0.87500000000000 0.75615696723102 138.905 > 6 25 La 0.06652435755758 0.12500000000000 0.25615696723102 138.905 > 7 26 La 0.56652435755758 0.12500000000000 0.25615696723102 138.905 > 7 27 La 0.06652435755758 0.62500000000000 0.25615696723102 138.905 > 7 28 La 0.56652435755758 0.62500000000000 0.25615696723102 138.905 > 7 29 La 0.05798399781750 0.12500000000000 0.91683193020042 138.905 > 8 30 La 0.55798399781750 0.12500000000000 0.91683193020042 138.905 > 8 31 La 0.05798399781750 0.62500000000000 0.91683193020042 138.905 > 8 32 La 0.55798399781750 0.62500000000000 0.91683193020042 138.905 > 8 *33 Hf 0.43917895934827 0.37500000000000 0.42960507674854 178.490 > 9 34 Hf 0.93917895934827 0.37500000000000 0.42960507674854 178.490 > 9 35 Hf 0.43917895934827 0.87500000000000 0.42960507674854 178.490 > 9 36 Hf 0.93917895934827 0.87500000000000 0.42960507674854 178.490 > 9 37 Hf 0.31082104065173 0.12500000000000 0.92960507674854 178.490 > 10 38 Hf 0.81082104065173 0.12500000000000 0.92960507674854 178.490 > 10 39 Hf 0.31082104065173 0.62500000000000 0.92960507674854 178.490 > 10 40 Hf 0.81082104065173 0.62500000000000 0.92960507674854 178.490 > 10 41 Hf 0.18917895934827 0.37500000000000 0.07039492325146 178.490 > 11 42 Hf 0.68917895934827 0.37500000000000 0.07039492325146 178.490 > 11 43 Hf 0.18917895934827 0.87500000000000 0.07039492325146 178.490 > 11 44 Hf 0.68917895934827 0.87500000000000 0.07039492325146 178.490 > 11 45 Hf 0.06082104065173 0.12500000000000 0.57039492325146 178.490 > 12 46 Hf 0.56082104065173 0.12500000000000 0.57039492325146 178.490 > 12 47 Hf 0.06082104065173 0.62500000000000 0.57039492325146 178.490 > 12 48 Hf 0.56082104065173 0.62500000000000 0.57039492325146 178.490 > 12 *49 O 0.44612718691258 0.12500000000000 0.17281597187037 15.999 > 13 50 O 0.94612718691258 0.12500000000000 0.17281597187037 15.999 > 13 51 O 0.44612718691258 0.62500000000000 0.17281597187037 15.999 > 13 52 O 0.94612718691258 0.62500000000000 0.17281597187037 15.999 > 13 *53 O 0.45421359502335 0.12500000000000 0.46728852331001 15.999 > 14 54 O 0.95421359502335 0.12500000000000 0.46728852331001 15.999 > 14 55 O 0.45421359502335 0.62500000000000 0.46728852331001 15.999 > 14 56 O 0.95421359502335 0.62500000000000 0.46728852331001 15.999 > 14 *57 O 0.45634029067576 0.12500000000000 0.65183553477708 15.999 > 15 58 O 0.95634029067576 0.12500000000000 0.65183553477708 15.999 > 15 59 O 0.45634029067576 0.62500000000000 0.65183553477708 15.999 > 15 60 O 0.95634029067576 0.62500000000000 0.65183553477708 15.999 > 15 *61 O 0.42494747501488 0.12500000000000 0.99824517628713 15.999 > 16 62 O 0.92494747501488 0.12500000000000 0.99824517628713 15.999 > 16 63 O 0.42494747501488 0.62500000000000 0.99824517628713 15.999 > 16 64 O 0.92494747501488 0.62500000000000 0.99824517628713 15.999 > 16 *65 O 0.35660913938482 0.37500000000000 0.33247806581371 15.999 > 17 66 O 0.85660913938482 0.37500000000000 0.33247806581371 15.999 > 17 67 O 0.35660913938482 0.87500000000000 0.33247806581371 15.999 > 17 68 O 0.85660913938482 0.87500000000000 0.33247806581371 15.999 > 17 69 O 0.39339086061518 0.12500000000000 0.83247806581371 15.999 > 18 70 O 0.89339086061518 0.12500000000000 0.83247806581371 15.999 > 18 71 O 0.39339086061518 0.62500000000000 0.83247806581371 15.999 > 18 72 O 0.89339086061518 0.62500000000000 0.83247806581371 15.999 > 18 73 O 0.32505252498512 0.37500000000000 0.49824517628713 15.999 > 19 74 O 0.82505252498512 0.37500000000000 0.49824517628713 15.999 > 19 75 O 0.32505252498512 0.87500000000000 0.49824517628713 15.999 > 19 76 O 0.82505252498512 0.87500000000000 0.49824517628713 15.999 > 19 77 O 0.29365970932424 0.37500000000000 0.15183553477708 15.999 > 20 78 O 0.79365970932424 0.37500000000000 0.15183553477708 15.999 > 20 79 O 0.29365970932424 0.87500000000000 0.15183553477708 15.999 > 20 80 O 0.79365970932424 0.87500000000000 0.15183553477708 15.999 > 20 81 O 0.29578640497665 0.37500000000000 0.96728852331001 15.999 > 21 82 O 0.79578640497665 0.37500000000000 0.96728852331001 15.999 > 21 83 O 0.29578640497665 0.87500000000000 0.96728852331001 15.999 > 21 84 O 0.79578640497665 0.87500000000000 0.96728852331001 15.999 > 21 85 O 0.30387281308742 0.37500000000000 0.67281597187037 15.999 > 22 86 O 0.80387281308742 0.37500000000000 0.67281597187037 15.999 > 22 87 O 0.30387281308742 0.87500000000000 0.67281597187037 15.999 > 22 88 O 0.80387281308742 0.87500000000000 0.67281597187037 15.999 > 22 89 O 0.19612718691258 0.12500000000000 0.32718402812963 15.999 > 23 90 O 0.69612718691258 0.12500000000000 0.32718402812963 15.999 > 23 91 O 0.19612718691258 0.62500000000000 0.32718402812963 15.999 > 23 92 O 0.69612718691258 0.62500000000000 0.32718402812963 15.999 > 23 93 O 0.20421359502335 0.12500000000000 0.03271147668999 15.999 > 24 94 O 0.70421359502335 0.12500000000000 0.03271147668999 15.999 > 24 95 O 0.20421359502335 0.62500000000000 0.03271147668999 15.999 > 24 96 O 0.70421359502335 0.62500000000000 0.03271147668999 15.999 > 24 97 O 0.20634029067576 0.12500000000000 0.84816446522292 15.999 > 25 98 O 0.70634029067576 0.12500000000000 0.84816446522292 15.999 > 25 99 O 0.20634029067576 0.62500000000000 0.84816446522292 15.999 > 25 100 O 0.70634029067576 0.62500000000000 0.84816446522292 15.999 > 25 101 O 0.17494747501488 0.12500000000000 0.50175482371287 15.999 > 26 102 O 0.67494747501488 0.12500000000000 0.50175482371287 15.999 > 26 103 O 0.17494747501488 0.62500000000000 0.50175482371287 15.999 > 26 104 O 0.67494747501488 0.62500000000000 0.50175482371287 15.999 > 26 105 O 0.10660913938482 0.37500000000000 0.16752193418629 15.999 > 27 106 O 0.60660913938482 0.37500000000000 0.16752193418629 15.999 > 27 107 O 0.10660913938482 0.87500000000000 0.16752193418629 15.999 > 27 108 O 0.60660913938482 0.87500000000000 0.16752193418629 15.999 > 27 109 O 0.14339086061518 0.12500000000000 0.66752193418629 15.999 > 28 110 O 0.64339086061518 0.12500000000000 0.66752193418629 15.999 > 28 111 O 0.14339086061518 0.62500000000000 0.66752193418629 15.999 > 28 112 O 0.64339086061518 0.62500000000000 0.66752193418629 15.999 > 28 113 O 0.07505252498512 0.37500000000000 0.00175482371287 15.999 > 29 114 O 0.57505252498512 0.37500000000000 0.00175482371287 15.999 > 29 115 O 0.07505252498512 0.87500000000000 0.00175482371287 15.999 > 29 116 O 0.57505252498512 0.87500000000000 0.00175482371287 15.999 > 29 117 O 0.04365970932424 0.37500000000000 0.34816446522292 15.999 > 30 118 O 0.54365970932424 0.37500000000000 0.34816446522292 15.999 > 30 119 O 0.04365970932424 0.87500000000000 0.34816446522292 15.999 > 30 120 O 0.54365970932424 0.87500000000000 0.34816446522292 15.999 > 30 121 O 0.04578640497665 0.37500000000000 0.53271147668999 15.999 > 31 122 O 0.54578640497665 0.37500000000000 0.53271147668999 15.999 > 31 123 O 0.04578640497665 0.87500000000000 0.53271147668999 15.999 > 31 124 O 0.54578640497665 0.87500000000000 0.53271147668999 15.999 > 31 125 O 0.05387281308742 0.37500000000000 0.82718402812963 15.999 > 32 126 O 0.55387281308742 0.37500000000000 0.82718402812963 15.999 > 32 127 O 0.05387281308742 0.87500000000000 0.82718402812963 15.999 > 32 128 O 0.55387281308742 0.87500000000000 0.82718402812963 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5014959 0.0000000 0.0000000 0.0000000 4.5572878 0.0000000 0.0000000 0.0000000 4.4977932 -------------------------- Born effective charges -------------------------- 1 La 3.8203352 0.0000000 -0.2722393 0.0000000 4.5056653 0.0000000 -0.2180941 0.0000000 3.9999967 2 La 4.0584639 0.0000000 0.7187798 0.0000000 4.2577841 0.0000000 0.7198702 0.0000000 4.3107232 3 La 4.0584639 0.0000000 -0.7187798 0.0000000 4.2577841 0.0000000 -0.7198702 0.0000000 4.3107232 4 La 3.8203352 0.0000000 0.2722393 0.0000000 4.5056653 0.0000000 0.2180941 0.0000000 3.9999967 5 La 3.8203352 0.0000000 0.2722393 0.0000000 4.5056653 0.0000000 0.2180941 0.0000000 3.9999967 6 La 4.0584639 0.0000000 -0.7187798 0.0000000 4.2577841 0.0000000 -0.7198702 0.0000000 4.3107232 7 La 4.0584639 0.0000000 0.7187798 0.0000000 4.2577841 0.0000000 0.7198702 0.0000000 4.3107232 8 La 3.8203352 0.0000000 -0.2722393 0.0000000 4.5056653 0.0000000 -0.2180941 0.0000000 3.9999967 9 Hf 5.4434161 0.0000000 -0.2349790 0.0000000 4.7818032 0.0000000 -0.2022649 0.0000000 4.8506619 10 Hf 5.4434161 0.0000000 0.2349790 0.0000000 4.7818032 0.0000000 0.2022649 0.0000000 4.8506619 11 Hf 5.4434161 0.0000000 0.2349790 0.0000000 4.7818032 0.0000000 0.2022649 0.0000000 4.8506619 12 Hf 5.4434161 0.0000000 -0.2349790 0.0000000 4.7818032 0.0000000 -0.2022649 0.0000000 4.8506619 13 O -3.1235584 0.0000000 -0.1465738 0.0000000 -2.4584637 0.0000000 -0.0428216 0.0000000 -2.8138422 14 O -1.8363254 0.0000000 -0.2938315 0.0000000 -3.9479850 0.0000000 -0.3236583 0.0000000 -1.9444235 15 O -2.9967506 0.0000000 0.7153595 0.0000000 -2.3284174 0.0000000 0.5798201 0.0000000 -2.7738469 16 O -2.9550863 0.0000000 -0.3296612 0.0000000 -2.5832191 0.0000000 -0.5022663 0.0000000 -2.6407531 17 O -2.4104945 0.0000000 -0.8833901 0.0000000 -2.2271674 0.0000000 -0.8455538 0.0000000 -2.9885162 18 O -2.4104945 0.0000000 0.8833901 0.0000000 -2.2271674 0.0000000 0.8455538 0.0000000 -2.9885162 19 O -2.9550863 0.0000000 0.3296612 0.0000000 -2.5832191 0.0000000 0.5022663 0.0000000 -2.6407531 20 O -2.9967506 0.0000000 -0.7153595 0.0000000 -2.3284174 0.0000000 -0.5798201 0.0000000 -2.7738469 21 O -1.8363254 0.0000000 0.2938315 0.0000000 -3.9479850 0.0000000 0.3236583 0.0000000 -1.9444235 22 O -3.1235584 0.0000000 0.1465738 0.0000000 -2.4584637 0.0000000 0.0428216 0.0000000 -2.8138422 23 O -3.1235584 0.0000000 0.1465738 0.0000000 -2.4584637 0.0000000 0.0428216 0.0000000 -2.8138422 24 O -1.8363254 0.0000000 0.2938315 0.0000000 -3.9479850 0.0000000 0.3236583 0.0000000 -1.9444235 25 O -2.9967506 0.0000000 -0.7153595 0.0000000 -2.3284174 0.0000000 -0.5798201 0.0000000 -2.7738469 26 O -2.9550863 0.0000000 0.3296612 0.0000000 -2.5832191 0.0000000 0.5022663 0.0000000 -2.6407531 27 O -2.4104945 0.0000000 0.8833901 0.0000000 -2.2271674 0.0000000 0.8455538 0.0000000 -2.9885162 28 O -2.4104945 0.0000000 -0.8833901 0.0000000 -2.2271674 0.0000000 -0.8455538 0.0000000 -2.9885162 29 O -2.9550863 0.0000000 -0.3296612 0.0000000 -2.5832191 0.0000000 -0.5022663 0.0000000 -2.6407531 30 O -2.9967506 0.0000000 0.7153595 0.0000000 -2.3284174 0.0000000 0.5798201 0.0000000 -2.7738469 31 O -1.8363254 0.0000000 -0.2938315 0.0000000 -3.9479850 0.0000000 -0.3236583 0.0000000 -1.9444235 32 O -3.1235584 0.0000000 -0.1465738 0.0000000 -2.4584637 0.0000000 -0.0428216 0.0000000 -2.8138422 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2528 Number of blocks in projector: 2528 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: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (2528, 2488), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (416, 408), data: True |-- (416, 408), data: True |-- (416, 408), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.789 Solver_block: 200 / 480 - Time: 0.730 Solver_block: 300 / 480 - Time: 0.708 Solver_block: 400 / 480 - Time: 0.713 Solver_block: 480 / 480 - Time: 0.597 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.640 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2528 Number of blocks in projector: 2528 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: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (2528, 2488), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (416, 408), data: True |-- (416, 408), data: True |-- (416, 408), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:21:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:21:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.663552449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.869096660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.341160280000000 Atomic positions (fractional): 1 La 0.88403200436499 0.75000000000000 0.08316806979958 138.905 2 La 0.86695128488483 0.75000000000000 0.74384303276898 138.905 3 La 0.63304871511517 0.25000000000000 0.24384303276898 138.905 4 La 0.61596799563501 0.25000000000000 0.58316806979958 138.905 5 La 0.38403200436499 0.75000000000000 0.41683193020042 138.905 6 La 0.36695128488483 0.75000000000000 0.75615696723102 138.905 7 La 0.13304871511517 0.25000000000000 0.25615696723102 138.905 8 La 0.11596799563501 0.25000000000000 0.91683193020042 138.905 9 Hf 0.87835791869654 0.75000000000000 0.42960507674854 178.490 10 Hf 0.62164208130346 0.25000000000000 0.92960507674854 178.490 11 Hf 0.37835791869654 0.75000000000000 0.07039492325146 178.490 12 Hf 0.12164208130346 0.25000000000000 0.57039492325146 178.490 13 O 0.89225437382517 0.25000000000000 0.17281597187037 15.999 14 O 0.90842719004669 0.25000000000000 0.46728852331001 15.999 15 O 0.91268058135152 0.25000000000000 0.65183553477708 15.999 16 O 0.84989495002975 0.25000000000000 0.99824517628713 15.999 17 O 0.71321827876964 0.75000000000000 0.33247806581371 15.999 18 O 0.78678172123036 0.25000000000000 0.83247806581371 15.999 19 O 0.65010504997025 0.75000000000000 0.49824517628713 15.999 20 O 0.58731941864848 0.75000000000000 0.15183553477708 15.999 21 O 0.59157280995331 0.75000000000000 0.96728852331001 15.999 22 O 0.60774562617483 0.75000000000000 0.67281597187037 15.999 23 O 0.39225437382517 0.25000000000000 0.32718402812963 15.999 24 O 0.40842719004669 0.25000000000000 0.03271147668999 15.999 25 O 0.41268058135152 0.25000000000000 0.84816446522292 15.999 26 O 0.34989495002975 0.25000000000000 0.50175482371287 15.999 27 O 0.21321827876964 0.75000000000000 0.16752193418629 15.999 28 O 0.28678172123036 0.25000000000000 0.66752193418629 15.999 29 O 0.15010504997025 0.75000000000000 0.00175482371287 15.999 30 O 0.08731941864848 0.75000000000000 0.34816446522292 15.999 31 O 0.09157280995331 0.75000000000000 0.53271147668999 15.999 32 O 0.10774562617483 0.75000000000000 0.82718402812963 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.327104899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.738193320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.341160280000000 Atomic positions (fractional): 1 La 0.44201600218250 0.37500000000000 0.08316806979958 138.905 > 1 2 La 0.94201600218250 0.37500000000000 0.08316806979958 138.905 > 1 3 La 0.44201600218250 0.87500000000000 0.08316806979958 138.905 > 1 4 La 0.94201600218250 0.87500000000000 0.08316806979958 138.905 > 1 5 La 0.43347564244242 0.37500000000000 0.74384303276898 138.905 > 5 6 La 0.93347564244242 0.37500000000000 0.74384303276898 138.905 > 5 7 La 0.43347564244242 0.87500000000000 0.74384303276898 138.905 > 5 8 La 0.93347564244242 0.87500000000000 0.74384303276898 138.905 > 5 9 La 0.31652435755758 0.12500000000000 0.24384303276898 138.905 > 9 10 La 0.81652435755758 0.12500000000000 0.24384303276898 138.905 > 9 11 La 0.31652435755758 0.62500000000000 0.24384303276898 138.905 > 9 12 La 0.81652435755758 0.62500000000000 0.24384303276898 138.905 > 9 13 La 0.30798399781750 0.12500000000000 0.58316806979958 138.905 > 13 14 La 0.80798399781750 0.12500000000000 0.58316806979958 138.905 > 13 15 La 0.30798399781750 0.62500000000000 0.58316806979958 138.905 > 13 16 La 0.80798399781750 0.62500000000000 0.58316806979958 138.905 > 13 17 La 0.19201600218250 0.37500000000000 0.41683193020042 138.905 > 17 18 La 0.69201600218250 0.37500000000000 0.41683193020042 138.905 > 17 19 La 0.19201600218250 0.87500000000000 0.41683193020042 138.905 > 17 20 La 0.69201600218250 0.87500000000000 0.41683193020042 138.905 > 17 21 La 0.18347564244242 0.37500000000000 0.75615696723102 138.905 > 21 22 La 0.68347564244242 0.37500000000000 0.75615696723102 138.905 > 21 23 La 0.18347564244242 0.87500000000000 0.75615696723102 138.905 > 21 24 La 0.68347564244242 0.87500000000000 0.75615696723102 138.905 > 21 25 La 0.06652435755758 0.12500000000000 0.25615696723102 138.905 > 25 26 La 0.56652435755758 0.12500000000000 0.25615696723102 138.905 > 25 27 La 0.06652435755758 0.62500000000000 0.25615696723102 138.905 > 25 28 La 0.56652435755758 0.62500000000000 0.25615696723102 138.905 > 25 29 La 0.05798399781750 0.12500000000000 0.91683193020042 138.905 > 29 30 La 0.55798399781750 0.12500000000000 0.91683193020042 138.905 > 29 31 La 0.05798399781750 0.62500000000000 0.91683193020042 138.905 > 29 32 La 0.55798399781750 0.62500000000000 0.91683193020042 138.905 > 29 33 Hf 0.43917895934827 0.37500000000000 0.42960507674854 178.490 > 33 34 Hf 0.93917895934827 0.37500000000000 0.42960507674854 178.490 > 33 35 Hf 0.43917895934827 0.87500000000000 0.42960507674854 178.490 > 33 36 Hf 0.93917895934827 0.87500000000000 0.42960507674854 178.490 > 33 37 Hf 0.31082104065173 0.12500000000000 0.92960507674854 178.490 > 37 38 Hf 0.81082104065173 0.12500000000000 0.92960507674854 178.490 > 37 39 Hf 0.31082104065173 0.62500000000000 0.92960507674854 178.490 > 37 40 Hf 0.81082104065173 0.62500000000000 0.92960507674854 178.490 > 37 41 Hf 0.18917895934827 0.37500000000000 0.07039492325146 178.490 > 41 42 Hf 0.68917895934827 0.37500000000000 0.07039492325146 178.490 > 41 43 Hf 0.18917895934827 0.87500000000000 0.07039492325146 178.490 > 41 44 Hf 0.68917895934827 0.87500000000000 0.07039492325146 178.490 > 41 45 Hf 0.06082104065173 0.12500000000000 0.57039492325146 178.490 > 45 46 Hf 0.56082104065173 0.12500000000000 0.57039492325146 178.490 > 45 47 Hf 0.06082104065173 0.62500000000000 0.57039492325146 178.490 > 45 48 Hf 0.56082104065173 0.62500000000000 0.57039492325146 178.490 > 45 49 O 0.44612718691258 0.12500000000000 0.17281597187037 15.999 > 49 50 O 0.94612718691258 0.12500000000000 0.17281597187037 15.999 > 49 51 O 0.44612718691258 0.62500000000000 0.17281597187037 15.999 > 49 52 O 0.94612718691258 0.62500000000000 0.17281597187037 15.999 > 49 53 O 0.45421359502335 0.12500000000000 0.46728852331001 15.999 > 53 54 O 0.95421359502335 0.12500000000000 0.46728852331001 15.999 > 53 55 O 0.45421359502335 0.62500000000000 0.46728852331001 15.999 > 53 56 O 0.95421359502335 0.62500000000000 0.46728852331001 15.999 > 53 57 O 0.45634029067576 0.12500000000000 0.65183553477708 15.999 > 57 58 O 0.95634029067576 0.12500000000000 0.65183553477708 15.999 > 57 59 O 0.45634029067576 0.62500000000000 0.65183553477708 15.999 > 57 60 O 0.95634029067576 0.62500000000000 0.65183553477708 15.999 > 57 61 O 0.42494747501488 0.12500000000000 0.99824517628713 15.999 > 61 62 O 0.92494747501488 0.12500000000000 0.99824517628713 15.999 > 61 63 O 0.42494747501488 0.62500000000000 0.99824517628713 15.999 > 61 64 O 0.92494747501488 0.62500000000000 0.99824517628713 15.999 > 61 65 O 0.35660913938482 0.37500000000000 0.33247806581371 15.999 > 65 66 O 0.85660913938482 0.37500000000000 0.33247806581371 15.999 > 65 67 O 0.35660913938482 0.87500000000000 0.33247806581371 15.999 > 65 68 O 0.85660913938482 0.87500000000000 0.33247806581371 15.999 > 65 69 O 0.39339086061518 0.12500000000000 0.83247806581371 15.999 > 69 70 O 0.89339086061518 0.12500000000000 0.83247806581371 15.999 > 69 71 O 0.39339086061518 0.62500000000000 0.83247806581371 15.999 > 69 72 O 0.89339086061518 0.62500000000000 0.83247806581371 15.999 > 69 73 O 0.32505252498512 0.37500000000000 0.49824517628713 15.999 > 73 74 O 0.82505252498512 0.37500000000000 0.49824517628713 15.999 > 73 75 O 0.32505252498512 0.87500000000000 0.49824517628713 15.999 > 73 76 O 0.82505252498512 0.87500000000000 0.49824517628713 15.999 > 73 77 O 0.29365970932424 0.37500000000000 0.15183553477708 15.999 > 77 78 O 0.79365970932424 0.37500000000000 0.15183553477708 15.999 > 77 79 O 0.29365970932424 0.87500000000000 0.15183553477708 15.999 > 77 80 O 0.79365970932424 0.87500000000000 0.15183553477708 15.999 > 77 81 O 0.29578640497665 0.37500000000000 0.96728852331001 15.999 > 81 82 O 0.79578640497665 0.37500000000000 0.96728852331001 15.999 > 81 83 O 0.29578640497665 0.87500000000000 0.96728852331001 15.999 > 81 84 O 0.79578640497665 0.87500000000000 0.96728852331001 15.999 > 81 85 O 0.30387281308742 0.37500000000000 0.67281597187037 15.999 > 85 86 O 0.80387281308742 0.37500000000000 0.67281597187037 15.999 > 85 87 O 0.30387281308742 0.87500000000000 0.67281597187037 15.999 > 85 88 O 0.80387281308742 0.87500000000000 0.67281597187037 15.999 > 85 89 O 0.19612718691258 0.12500000000000 0.32718402812963 15.999 > 89 90 O 0.69612718691258 0.12500000000000 0.32718402812963 15.999 > 89 91 O 0.19612718691258 0.62500000000000 0.32718402812963 15.999 > 89 92 O 0.69612718691258 0.62500000000000 0.32718402812963 15.999 > 89 93 O 0.20421359502335 0.12500000000000 0.03271147668999 15.999 > 93 94 O 0.70421359502335 0.12500000000000 0.03271147668999 15.999 > 93 95 O 0.20421359502335 0.62500000000000 0.03271147668999 15.999 > 93 96 O 0.70421359502335 0.62500000000000 0.03271147668999 15.999 > 93 97 O 0.20634029067576 0.12500000000000 0.84816446522292 15.999 > 97 98 O 0.70634029067576 0.12500000000000 0.84816446522292 15.999 > 97 99 O 0.20634029067576 0.62500000000000 0.84816446522292 15.999 > 97 100 O 0.70634029067576 0.62500000000000 0.84816446522292 15.999 > 97 101 O 0.17494747501488 0.12500000000000 0.50175482371287 15.999 > 101 102 O 0.67494747501488 0.12500000000000 0.50175482371287 15.999 > 101 103 O 0.17494747501488 0.62500000000000 0.50175482371287 15.999 > 101 104 O 0.67494747501488 0.62500000000000 0.50175482371287 15.999 > 101 105 O 0.10660913938482 0.37500000000000 0.16752193418629 15.999 > 105 106 O 0.60660913938482 0.37500000000000 0.16752193418629 15.999 > 105 107 O 0.10660913938482 0.87500000000000 0.16752193418629 15.999 > 105 108 O 0.60660913938482 0.87500000000000 0.16752193418629 15.999 > 105 109 O 0.14339086061518 0.12500000000000 0.66752193418629 15.999 > 109 110 O 0.64339086061518 0.12500000000000 0.66752193418629 15.999 > 109 111 O 0.14339086061518 0.62500000000000 0.66752193418629 15.999 > 109 112 O 0.64339086061518 0.62500000000000 0.66752193418629 15.999 > 109 113 O 0.07505252498512 0.37500000000000 0.00175482371287 15.999 > 113 114 O 0.57505252498512 0.37500000000000 0.00175482371287 15.999 > 113 115 O 0.07505252498512 0.87500000000000 0.00175482371287 15.999 > 113 116 O 0.57505252498512 0.87500000000000 0.00175482371287 15.999 > 113 117 O 0.04365970932424 0.37500000000000 0.34816446522292 15.999 > 117 118 O 0.54365970932424 0.37500000000000 0.34816446522292 15.999 > 117 119 O 0.04365970932424 0.87500000000000 0.34816446522292 15.999 > 117 120 O 0.54365970932424 0.87500000000000 0.34816446522292 15.999 > 117 121 O 0.04578640497665 0.37500000000000 0.53271147668999 15.999 > 121 122 O 0.54578640497665 0.37500000000000 0.53271147668999 15.999 > 121 123 O 0.04578640497665 0.87500000000000 0.53271147668999 15.999 > 121 124 O 0.54578640497665 0.87500000000000 0.53271147668999 15.999 > 121 125 O 0.05387281308742 0.37500000000000 0.82718402812963 15.999 > 125 126 O 0.55387281308742 0.37500000000000 0.82718402812963 15.999 > 125 127 O 0.05387281308742 0.87500000000000 0.82718402812963 15.999 > 125 128 O 0.55387281308742 0.87500000000000 0.82718402812963 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5014959 0.0000000 0.0000000 0.0000000 4.5572878 0.0000000 0.0000000 0.0000000 4.4977932 -------------------------- Born effective charges -------------------------- 1 La 3.8203352 0.0000000 -0.2722393 0.0000000 4.5056653 0.0000000 -0.2180941 0.0000000 3.9999967 2 La 4.0584639 0.0000000 0.7187798 0.0000000 4.2577841 0.0000000 0.7198702 0.0000000 4.3107232 3 La 4.0584639 0.0000000 -0.7187798 0.0000000 4.2577841 0.0000000 -0.7198702 0.0000000 4.3107232 4 La 3.8203352 0.0000000 0.2722393 0.0000000 4.5056653 0.0000000 0.2180941 0.0000000 3.9999967 5 La 3.8203352 0.0000000 0.2722393 0.0000000 4.5056653 0.0000000 0.2180941 0.0000000 3.9999967 6 La 4.0584639 0.0000000 -0.7187798 0.0000000 4.2577841 0.0000000 -0.7198702 0.0000000 4.3107232 7 La 4.0584639 0.0000000 0.7187798 0.0000000 4.2577841 0.0000000 0.7198702 0.0000000 4.3107232 8 La 3.8203352 0.0000000 -0.2722393 0.0000000 4.5056653 0.0000000 -0.2180941 0.0000000 3.9999967 9 Hf 5.4434161 0.0000000 -0.2349790 0.0000000 4.7818032 0.0000000 -0.2022649 0.0000000 4.8506619 10 Hf 5.4434161 0.0000000 0.2349790 0.0000000 4.7818032 0.0000000 0.2022649 0.0000000 4.8506619 11 Hf 5.4434161 0.0000000 0.2349790 0.0000000 4.7818032 0.0000000 0.2022649 0.0000000 4.8506619 12 Hf 5.4434161 0.0000000 -0.2349790 0.0000000 4.7818032 0.0000000 -0.2022649 0.0000000 4.8506619 13 O -3.1235584 0.0000000 -0.1465738 0.0000000 -2.4584637 0.0000000 -0.0428216 0.0000000 -2.8138422 14 O -1.8363254 0.0000000 -0.2938315 0.0000000 -3.9479850 0.0000000 -0.3236583 0.0000000 -1.9444235 15 O -2.9967506 0.0000000 0.7153595 0.0000000 -2.3284174 0.0000000 0.5798201 0.0000000 -2.7738469 16 O -2.9550863 0.0000000 -0.3296612 0.0000000 -2.5832191 0.0000000 -0.5022663 0.0000000 -2.6407531 17 O -2.4104945 0.0000000 -0.8833901 0.0000000 -2.2271674 0.0000000 -0.8455538 0.0000000 -2.9885162 18 O -2.4104945 0.0000000 0.8833901 0.0000000 -2.2271674 0.0000000 0.8455538 0.0000000 -2.9885162 19 O -2.9550863 0.0000000 0.3296612 0.0000000 -2.5832191 0.0000000 0.5022663 0.0000000 -2.6407531 20 O -2.9967506 0.0000000 -0.7153595 0.0000000 -2.3284174 0.0000000 -0.5798201 0.0000000 -2.7738469 21 O -1.8363254 0.0000000 0.2938315 0.0000000 -3.9479850 0.0000000 0.3236583 0.0000000 -1.9444235 22 O -3.1235584 0.0000000 0.1465738 0.0000000 -2.4584637 0.0000000 0.0428216 0.0000000 -2.8138422 23 O -3.1235584 0.0000000 0.1465738 0.0000000 -2.4584637 0.0000000 0.0428216 0.0000000 -2.8138422 24 O -1.8363254 0.0000000 0.2938315 0.0000000 -3.9479850 0.0000000 0.3236583 0.0000000 -1.9444235 25 O -2.9967506 0.0000000 -0.7153595 0.0000000 -2.3284174 0.0000000 -0.5798201 0.0000000 -2.7738469 26 O -2.9550863 0.0000000 0.3296612 0.0000000 -2.5832191 0.0000000 0.5022663 0.0000000 -2.6407531 27 O -2.4104945 0.0000000 0.8833901 0.0000000 -2.2271674 0.0000000 0.8455538 0.0000000 -2.9885162 28 O -2.4104945 0.0000000 -0.8833901 0.0000000 -2.2271674 0.0000000 -0.8455538 0.0000000 -2.9885162 29 O -2.9550863 0.0000000 -0.3296612 0.0000000 -2.5832191 0.0000000 -0.5022663 0.0000000 -2.6407531 30 O -2.9967506 0.0000000 0.7153595 0.0000000 -2.3284174 0.0000000 0.5798201 0.0000000 -2.7738469 31 O -1.8363254 0.0000000 -0.2938315 0.0000000 -3.9479850 0.0000000 -0.3236583 0.0000000 -1.9444235 32 O -3.1235584 0.0000000 -0.1465738 0.0000000 -2.4584637 0.0000000 -0.0428216 0.0000000 -2.8138422 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (yzy) 0.00000006 (yzy) 0.00000006 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:21:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:21:53]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.663552449999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.869096660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.341160280000000 Atomic positions (fractional): 1 La 0.88403200436499 0.75000000000000 0.08316806979958 138.905 2 La 0.86695128488483 0.75000000000000 0.74384303276898 138.905 3 La 0.63304871511517 0.25000000000000 0.24384303276898 138.905 4 La 0.61596799563501 0.25000000000000 0.58316806979958 138.905 5 La 0.38403200436499 0.75000000000000 0.41683193020042 138.905 6 La 0.36695128488483 0.75000000000000 0.75615696723102 138.905 7 La 0.13304871511517 0.25000000000000 0.25615696723102 138.905 8 La 0.11596799563501 0.25000000000000 0.91683193020042 138.905 9 Hf 0.87835791869654 0.75000000000000 0.42960507674854 178.490 10 Hf 0.62164208130346 0.25000000000000 0.92960507674854 178.490 11 Hf 0.37835791869654 0.75000000000000 0.07039492325146 178.490 12 Hf 0.12164208130346 0.25000000000000 0.57039492325146 178.490 13 O 0.89225437382517 0.25000000000000 0.17281597187037 15.999 14 O 0.90842719004669 0.25000000000000 0.46728852331001 15.999 15 O 0.91268058135152 0.25000000000000 0.65183553477708 15.999 16 O 0.84989495002975 0.25000000000000 0.99824517628713 15.999 17 O 0.71321827876964 0.75000000000000 0.33247806581371 15.999 18 O 0.78678172123036 0.25000000000000 0.83247806581371 15.999 19 O 0.65010504997025 0.75000000000000 0.49824517628713 15.999 20 O 0.58731941864848 0.75000000000000 0.15183553477708 15.999 21 O 0.59157280995331 0.75000000000000 0.96728852331001 15.999 22 O 0.60774562617483 0.75000000000000 0.67281597187037 15.999 23 O 0.39225437382517 0.25000000000000 0.32718402812963 15.999 24 O 0.40842719004669 0.25000000000000 0.03271147668999 15.999 25 O 0.41268058135152 0.25000000000000 0.84816446522292 15.999 26 O 0.34989495002975 0.25000000000000 0.50175482371287 15.999 27 O 0.21321827876964 0.75000000000000 0.16752193418629 15.999 28 O 0.28678172123036 0.25000000000000 0.66752193418629 15.999 29 O 0.15010504997025 0.75000000000000 0.00175482371287 15.999 30 O 0.08731941864848 0.75000000000000 0.34816446522292 15.999 31 O 0.09157280995331 0.75000000000000 0.53271147668999 15.999 32 O 0.10774562617483 0.75000000000000 0.82718402812963 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.327104899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.738193320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 16.341160280000000 Atomic positions (fractional): 1 La 0.44201600218250 0.37500000000000 0.08316806979958 138.905 > 1 2 La 0.94201600218250 0.37500000000000 0.08316806979958 138.905 > 1 3 La 0.44201600218250 0.87500000000000 0.08316806979958 138.905 > 1 4 La 0.94201600218250 0.87500000000000 0.08316806979958 138.905 > 1 5 La 0.43347564244242 0.37500000000000 0.74384303276898 138.905 > 5 6 La 0.93347564244242 0.37500000000000 0.74384303276898 138.905 > 5 7 La 0.43347564244242 0.87500000000000 0.74384303276898 138.905 > 5 8 La 0.93347564244242 0.87500000000000 0.74384303276898 138.905 > 5 9 La 0.31652435755758 0.12500000000000 0.24384303276898 138.905 > 9 10 La 0.81652435755758 0.12500000000000 0.24384303276898 138.905 > 9 11 La 0.31652435755758 0.62500000000000 0.24384303276898 138.905 > 9 12 La 0.81652435755758 0.62500000000000 0.24384303276898 138.905 > 9 13 La 0.30798399781750 0.12500000000000 0.58316806979958 138.905 > 13 14 La 0.80798399781750 0.12500000000000 0.58316806979958 138.905 > 13 15 La 0.30798399781750 0.62500000000000 0.58316806979958 138.905 > 13 16 La 0.80798399781750 0.62500000000000 0.58316806979958 138.905 > 13 17 La 0.19201600218250 0.37500000000000 0.41683193020042 138.905 > 17 18 La 0.69201600218250 0.37500000000000 0.41683193020042 138.905 > 17 19 La 0.19201600218250 0.87500000000000 0.41683193020042 138.905 > 17 20 La 0.69201600218250 0.87500000000000 0.41683193020042 138.905 > 17 21 La 0.18347564244242 0.37500000000000 0.75615696723102 138.905 > 21 22 La 0.68347564244242 0.37500000000000 0.75615696723102 138.905 > 21 23 La 0.18347564244242 0.87500000000000 0.75615696723102 138.905 > 21 24 La 0.68347564244242 0.87500000000000 0.75615696723102 138.905 > 21 25 La 0.06652435755758 0.12500000000000 0.25615696723102 138.905 > 25 26 La 0.56652435755758 0.12500000000000 0.25615696723102 138.905 > 25 27 La 0.06652435755758 0.62500000000000 0.25615696723102 138.905 > 25 28 La 0.56652435755758 0.62500000000000 0.25615696723102 138.905 > 25 29 La 0.05798399781750 0.12500000000000 0.91683193020042 138.905 > 29 30 La 0.55798399781750 0.12500000000000 0.91683193020042 138.905 > 29 31 La 0.05798399781750 0.62500000000000 0.91683193020042 138.905 > 29 32 La 0.55798399781750 0.62500000000000 0.91683193020042 138.905 > 29 33 Hf 0.43917895934827 0.37500000000000 0.42960507674854 178.490 > 33 34 Hf 0.93917895934827 0.37500000000000 0.42960507674854 178.490 > 33 35 Hf 0.43917895934827 0.87500000000000 0.42960507674854 178.490 > 33 36 Hf 0.93917895934827 0.87500000000000 0.42960507674854 178.490 > 33 37 Hf 0.31082104065173 0.12500000000000 0.92960507674854 178.490 > 37 38 Hf 0.81082104065173 0.12500000000000 0.92960507674854 178.490 > 37 39 Hf 0.31082104065173 0.62500000000000 0.92960507674854 178.490 > 37 40 Hf 0.81082104065173 0.62500000000000 0.92960507674854 178.490 > 37 41 Hf 0.18917895934827 0.37500000000000 0.07039492325146 178.490 > 41 42 Hf 0.68917895934827 0.37500000000000 0.07039492325146 178.490 > 41 43 Hf 0.18917895934827 0.87500000000000 0.07039492325146 178.490 > 41 44 Hf 0.68917895934827 0.87500000000000 0.07039492325146 178.490 > 41 45 Hf 0.06082104065173 0.12500000000000 0.57039492325146 178.490 > 45 46 Hf 0.56082104065173 0.12500000000000 0.57039492325146 178.490 > 45 47 Hf 0.06082104065173 0.62500000000000 0.57039492325146 178.490 > 45 48 Hf 0.56082104065173 0.62500000000000 0.57039492325146 178.490 > 45 49 O 0.44612718691258 0.12500000000000 0.17281597187037 15.999 > 49 50 O 0.94612718691258 0.12500000000000 0.17281597187037 15.999 > 49 51 O 0.44612718691258 0.62500000000000 0.17281597187037 15.999 > 49 52 O 0.94612718691258 0.62500000000000 0.17281597187037 15.999 > 49 53 O 0.45421359502335 0.12500000000000 0.46728852331001 15.999 > 53 54 O 0.95421359502335 0.12500000000000 0.46728852331001 15.999 > 53 55 O 0.45421359502335 0.62500000000000 0.46728852331001 15.999 > 53 56 O 0.95421359502335 0.62500000000000 0.46728852331001 15.999 > 53 57 O 0.45634029067576 0.12500000000000 0.65183553477708 15.999 > 57 58 O 0.95634029067576 0.12500000000000 0.65183553477708 15.999 > 57 59 O 0.45634029067576 0.62500000000000 0.65183553477708 15.999 > 57 60 O 0.95634029067576 0.62500000000000 0.65183553477708 15.999 > 57 61 O 0.42494747501488 0.12500000000000 0.99824517628713 15.999 > 61 62 O 0.92494747501488 0.12500000000000 0.99824517628713 15.999 > 61 63 O 0.42494747501488 0.62500000000000 0.99824517628713 15.999 > 61 64 O 0.92494747501488 0.62500000000000 0.99824517628713 15.999 > 61 65 O 0.35660913938482 0.37500000000000 0.33247806581371 15.999 > 65 66 O 0.85660913938482 0.37500000000000 0.33247806581371 15.999 > 65 67 O 0.35660913938482 0.87500000000000 0.33247806581371 15.999 > 65 68 O 0.85660913938482 0.87500000000000 0.33247806581371 15.999 > 65 69 O 0.39339086061518 0.12500000000000 0.83247806581371 15.999 > 69 70 O 0.89339086061518 0.12500000000000 0.83247806581371 15.999 > 69 71 O 0.39339086061518 0.62500000000000 0.83247806581371 15.999 > 69 72 O 0.89339086061518 0.62500000000000 0.83247806581371 15.999 > 69 73 O 0.32505252498512 0.37500000000000 0.49824517628713 15.999 > 73 74 O 0.82505252498512 0.37500000000000 0.49824517628713 15.999 > 73 75 O 0.32505252498512 0.87500000000000 0.49824517628713 15.999 > 73 76 O 0.82505252498512 0.87500000000000 0.49824517628713 15.999 > 73 77 O 0.29365970932424 0.37500000000000 0.15183553477708 15.999 > 77 78 O 0.79365970932424 0.37500000000000 0.15183553477708 15.999 > 77 79 O 0.29365970932424 0.87500000000000 0.15183553477708 15.999 > 77 80 O 0.79365970932424 0.87500000000000 0.15183553477708 15.999 > 77 81 O 0.29578640497665 0.37500000000000 0.96728852331001 15.999 > 81 82 O 0.79578640497665 0.37500000000000 0.96728852331001 15.999 > 81 83 O 0.29578640497665 0.87500000000000 0.96728852331001 15.999 > 81 84 O 0.79578640497665 0.87500000000000 0.96728852331001 15.999 > 81 85 O 0.30387281308742 0.37500000000000 0.67281597187037 15.999 > 85 86 O 0.80387281308742 0.37500000000000 0.67281597187037 15.999 > 85 87 O 0.30387281308742 0.87500000000000 0.67281597187037 15.999 > 85 88 O 0.80387281308742 0.87500000000000 0.67281597187037 15.999 > 85 89 O 0.19612718691258 0.12500000000000 0.32718402812963 15.999 > 89 90 O 0.69612718691258 0.12500000000000 0.32718402812963 15.999 > 89 91 O 0.19612718691258 0.62500000000000 0.32718402812963 15.999 > 89 92 O 0.69612718691258 0.62500000000000 0.32718402812963 15.999 > 89 93 O 0.20421359502335 0.12500000000000 0.03271147668999 15.999 > 93 94 O 0.70421359502335 0.12500000000000 0.03271147668999 15.999 > 93 95 O 0.20421359502335 0.62500000000000 0.03271147668999 15.999 > 93 96 O 0.70421359502335 0.62500000000000 0.03271147668999 15.999 > 93 97 O 0.20634029067576 0.12500000000000 0.84816446522292 15.999 > 97 98 O 0.70634029067576 0.12500000000000 0.84816446522292 15.999 > 97 99 O 0.20634029067576 0.62500000000000 0.84816446522292 15.999 > 97 100 O 0.70634029067576 0.62500000000000 0.84816446522292 15.999 > 97 101 O 0.17494747501488 0.12500000000000 0.50175482371287 15.999 > 101 102 O 0.67494747501488 0.12500000000000 0.50175482371287 15.999 > 101 103 O 0.17494747501488 0.62500000000000 0.50175482371287 15.999 > 101 104 O 0.67494747501488 0.62500000000000 0.50175482371287 15.999 > 101 105 O 0.10660913938482 0.37500000000000 0.16752193418629 15.999 > 105 106 O 0.60660913938482 0.37500000000000 0.16752193418629 15.999 > 105 107 O 0.10660913938482 0.87500000000000 0.16752193418629 15.999 > 105 108 O 0.60660913938482 0.87500000000000 0.16752193418629 15.999 > 105 109 O 0.14339086061518 0.12500000000000 0.66752193418629 15.999 > 109 110 O 0.64339086061518 0.12500000000000 0.66752193418629 15.999 > 109 111 O 0.14339086061518 0.62500000000000 0.66752193418629 15.999 > 109 112 O 0.64339086061518 0.62500000000000 0.66752193418629 15.999 > 109 113 O 0.07505252498512 0.37500000000000 0.00175482371287 15.999 > 113 114 O 0.57505252498512 0.37500000000000 0.00175482371287 15.999 > 113 115 O 0.07505252498512 0.87500000000000 0.00175482371287 15.999 > 113 116 O 0.57505252498512 0.87500000000000 0.00175482371287 15.999 > 113 117 O 0.04365970932424 0.37500000000000 0.34816446522292 15.999 > 117 118 O 0.54365970932424 0.37500000000000 0.34816446522292 15.999 > 117 119 O 0.04365970932424 0.87500000000000 0.34816446522292 15.999 > 117 120 O 0.54365970932424 0.87500000000000 0.34816446522292 15.999 > 117 121 O 0.04578640497665 0.37500000000000 0.53271147668999 15.999 > 121 122 O 0.54578640497665 0.37500000000000 0.53271147668999 15.999 > 121 123 O 0.04578640497665 0.87500000000000 0.53271147668999 15.999 > 121 124 O 0.54578640497665 0.87500000000000 0.53271147668999 15.999 > 121 125 O 0.05387281308742 0.37500000000000 0.82718402812963 15.999 > 125 126 O 0.55387281308742 0.37500000000000 0.82718402812963 15.999 > 125 127 O 0.05387281308742 0.87500000000000 0.82718402812963 15.999 > 125 128 O 0.55387281308742 0.87500000000000 0.82718402812963 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5014959 0.0000000 0.0000000 0.0000000 4.5572878 0.0000000 0.0000000 0.0000000 4.4977932 -------------------------- Born effective charges -------------------------- 1 La 3.8203352 0.0000000 -0.2722393 0.0000000 4.5056653 0.0000000 -0.2180941 0.0000000 3.9999967 2 La 4.0584639 0.0000000 0.7187798 0.0000000 4.2577841 0.0000000 0.7198702 0.0000000 4.3107232 3 La 4.0584639 0.0000000 -0.7187798 0.0000000 4.2577841 0.0000000 -0.7198702 0.0000000 4.3107232 4 La 3.8203352 0.0000000 0.2722393 0.0000000 4.5056653 0.0000000 0.2180941 0.0000000 3.9999967 5 La 3.8203352 0.0000000 0.2722393 0.0000000 4.5056653 0.0000000 0.2180941 0.0000000 3.9999967 6 La 4.0584639 0.0000000 -0.7187798 0.0000000 4.2577841 0.0000000 -0.7198702 0.0000000 4.3107232 7 La 4.0584639 0.0000000 0.7187798 0.0000000 4.2577841 0.0000000 0.7198702 0.0000000 4.3107232 8 La 3.8203352 0.0000000 -0.2722393 0.0000000 4.5056653 0.0000000 -0.2180941 0.0000000 3.9999967 9 Hf 5.4434161 0.0000000 -0.2349790 0.0000000 4.7818032 0.0000000 -0.2022649 0.0000000 4.8506619 10 Hf 5.4434161 0.0000000 0.2349790 0.0000000 4.7818032 0.0000000 0.2022649 0.0000000 4.8506619 11 Hf 5.4434161 0.0000000 0.2349790 0.0000000 4.7818032 0.0000000 0.2022649 0.0000000 4.8506619 12 Hf 5.4434161 0.0000000 -0.2349790 0.0000000 4.7818032 0.0000000 -0.2022649 0.0000000 4.8506619 13 O -3.1235584 0.0000000 -0.1465738 0.0000000 -2.4584637 0.0000000 -0.0428216 0.0000000 -2.8138422 14 O -1.8363254 0.0000000 -0.2938315 0.0000000 -3.9479850 0.0000000 -0.3236583 0.0000000 -1.9444235 15 O -2.9967506 0.0000000 0.7153595 0.0000000 -2.3284174 0.0000000 0.5798201 0.0000000 -2.7738469 16 O -2.9550863 0.0000000 -0.3296612 0.0000000 -2.5832191 0.0000000 -0.5022663 0.0000000 -2.6407531 17 O -2.4104945 0.0000000 -0.8833901 0.0000000 -2.2271674 0.0000000 -0.8455538 0.0000000 -2.9885162 18 O -2.4104945 0.0000000 0.8833901 0.0000000 -2.2271674 0.0000000 0.8455538 0.0000000 -2.9885162 19 O -2.9550863 0.0000000 0.3296612 0.0000000 -2.5832191 0.0000000 0.5022663 0.0000000 -2.6407531 20 O -2.9967506 0.0000000 -0.7153595 0.0000000 -2.3284174 0.0000000 -0.5798201 0.0000000 -2.7738469 21 O -1.8363254 0.0000000 0.2938315 0.0000000 -3.9479850 0.0000000 0.3236583 0.0000000 -1.9444235 22 O -3.1235584 0.0000000 0.1465738 0.0000000 -2.4584637 0.0000000 0.0428216 0.0000000 -2.8138422 23 O -3.1235584 0.0000000 0.1465738 0.0000000 -2.4584637 0.0000000 0.0428216 0.0000000 -2.8138422 24 O -1.8363254 0.0000000 0.2938315 0.0000000 -3.9479850 0.0000000 0.3236583 0.0000000 -1.9444235 25 O -2.9967506 0.0000000 -0.7153595 0.0000000 -2.3284174 0.0000000 -0.5798201 0.0000000 -2.7738469 26 O -2.9550863 0.0000000 0.3296612 0.0000000 -2.5832191 0.0000000 0.5022663 0.0000000 -2.6407531 27 O -2.4104945 0.0000000 0.8833901 0.0000000 -2.2271674 0.0000000 0.8455538 0.0000000 -2.9885162 28 O -2.4104945 0.0000000 -0.8833901 0.0000000 -2.2271674 0.0000000 -0.8455538 0.0000000 -2.9885162 29 O -2.9550863 0.0000000 -0.3296612 0.0000000 -2.5832191 0.0000000 -0.5022663 0.0000000 -2.6407531 30 O -2.9967506 0.0000000 0.7153595 0.0000000 -2.3284174 0.0000000 0.5798201 0.0000000 -2.7738469 31 O -1.8363254 0.0000000 -0.2938315 0.0000000 -3.9479850 0.0000000 -0.3236583 0.0000000 -1.9444235 32 O -3.1235584 0.0000000 -0.1465738 0.0000000 -2.4584637 0.0000000 -0.0428216 0.0000000 -2.8138422 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (yzy) 0.00000006 (yzy) 0.00000006 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 13 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 285, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 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 1.673 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.127 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.332 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 0.000) 0.000 8.403 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.437 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 10.310 ( 0.000 0.000 0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 10.686 ( 0.000 0.000 0.000) 0.000 11.113 ( 0.000 0.000 0.000) 0.000 11.117 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 11.543 ( 0.000 0.000 0.000) 0.000 11.896 ( 0.000 0.000 0.000) 0.000 12.242 ( 0.000 0.000 0.000) 0.000 12.285 ( 0.000 0.000 0.000) 0.000 12.296 ( 0.000 0.000 0.000) 0.000 12.557 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 0.000) 0.000 13.186 ( 0.000 0.000 0.000) 0.000 13.311 ( 0.000 0.000 0.000) 0.000 13.358 ( 0.000 0.000 0.000) 0.000 13.607 ( 0.000 0.000 0.000) 0.000 14.939 ( 0.000 0.000 0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.434 ( 0.000 0.000 0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 17.710 ( 0.000 0.000 0.000) 0.000 17.886 ( 0.000 0.000 0.000) 0.000 18.499 ( 0.000 0.000 0.000) 0.000 18.987 ( 0.000 0.000 0.000) 0.000 19.366 ( 0.000 0.000 0.000) 0.000 19.367 ( 0.000 0.000 0.000) 0.000 19.544 ( 0.000 0.000 0.000) 0.000 19.626 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 27.734 0.000 0.000) 27.734 0.524 ( 27.487 0.000 0.000) 27.487 0.922 ( 44.223 0.000 0.000) 44.223 1.483 ( -16.422 0.000 0.000) 16.422 1.682 ( -1.007 0.000 0.000) 1.007 1.725 ( 4.057 0.000 0.000) 4.057 1.767 ( 8.360 0.000 0.000) 8.360 1.960 ( -1.159 0.000 0.000) 1.159 2.013 ( -1.643 0.000 0.000) 1.643 2.044 ( 1.480 0.000 0.000) 1.480 2.100 ( -5.106 0.000 0.000) 5.106 2.102 ( 2.807 0.000 0.000) 2.807 2.526 ( -3.348 0.000 0.000) 3.348 2.684 ( -11.905 0.000 0.000) 11.905 2.817 ( -1.468 0.000 0.000) 1.468 2.945 ( 0.647 0.000 0.000) 0.647 3.045 ( 9.547 0.000 0.000) 9.547 3.094 ( 4.933 0.000 0.000) 4.933 3.211 ( -7.701 0.000 0.000) 7.701 3.215 ( -8.709 0.000 0.000) 8.709 3.404 ( 2.632 0.000 0.000) 2.632 3.519 ( 16.130 0.000 0.000) 16.130 3.521 ( 3.066 0.000 0.000) 3.066 3.532 ( 3.467 0.000 0.000) 3.467 3.657 ( 4.309 0.000 0.000) 4.309 3.756 ( 1.006 0.000 0.000) 1.006 3.767 ( 0.589 0.000 0.000) 0.589 3.932 ( 14.421 0.000 0.000) 14.421 4.077 ( -1.556 0.000 0.000) 1.556 4.186 ( 5.066 0.000 0.000) 5.066 4.386 ( -6.931 0.000 0.000) 6.931 4.598 ( -2.800 0.000 0.000) 2.800 4.786 ( -1.816 0.000 0.000) 1.816 5.273 ( 1.063 0.000 0.000) 1.063 5.803 ( -9.300 0.000 0.000) 9.300 5.989 ( -1.706 0.000 0.000) 1.706 6.406 ( 3.849 0.000 0.000) 3.849 6.509 ( -10.120 0.000 0.000) 10.120 6.540 ( -1.847 0.000 0.000) 1.847 6.784 ( 0.303 0.000 0.000) 0.303 6.869 ( 0.957 0.000 0.000) 0.957 6.921 ( 0.274 0.000 0.000) 0.274 7.220 ( -5.172 0.000 0.000) 5.172 7.278 ( -5.228 0.000 0.000) 5.228 7.717 ( -1.509 0.000 0.000) 1.509 7.891 ( -6.555 0.000 0.000) 6.555 8.239 ( 13.654 0.000 0.000) 13.654 8.327 ( 7.971 0.000 0.000) 7.971 8.450 ( 1.698 0.000 0.000) 1.698 8.495 ( 3.241 0.000 0.000) 3.241 8.518 ( 8.014 0.000 0.000) 8.014 8.523 ( 11.034 0.000 0.000) 11.034 8.594 ( 5.488 0.000 0.000) 5.488 8.602 ( -3.615 0.000 0.000) 3.615 8.925 ( -2.426 0.000 0.000) 2.426 8.965 ( -0.928 0.000 0.000) 0.928 9.364 ( -4.616 0.000 0.000) 4.616 9.467 ( -3.110 0.000 0.000) 3.110 9.559 ( 11.073 0.000 0.000) 11.073 9.728 ( -4.183 0.000 0.000) 4.183 9.732 ( 5.277 0.000 0.000) 5.277 10.384 ( 7.196 0.000 0.000) 7.196 10.436 ( 1.763 0.000 0.000) 1.763 10.442 ( 1.772 0.000 0.000) 1.772 10.443 ( 1.780 0.000 0.000) 1.780 10.637 ( -5.400 0.000 0.000) 5.400 11.092 ( -2.151 0.000 0.000) 2.151 11.096 ( -2.225 0.000 0.000) 2.225 11.168 ( 1.557 0.000 0.000) 1.557 11.763 ( -13.173 0.000 0.000) 13.173 11.969 ( 1.873 0.000 0.000) 1.873 12.205 ( -7.719 0.000 0.000) 7.719 12.298 ( 0.283 0.000 0.000) 0.283 12.553 ( -0.817 0.000 0.000) 0.817 12.923 ( -6.324 0.000 0.000) 6.324 13.139 ( -4.466 0.000 0.000) 4.466 13.190 ( -3.681 0.000 0.000) 3.681 13.329 ( 5.818 0.000 0.000) 5.818 13.363 ( 0.056 0.000 0.000) 0.056 13.586 ( -2.136 0.000 0.000) 2.136 14.994 ( 6.691 0.000 0.000) 6.691 15.659 ( 0.285 0.000 0.000) 0.285 16.239 ( 0.342 0.000 0.000) 0.342 16.239 ( 0.339 0.000 0.000) 0.339 16.381 ( -5.103 0.000 0.000) 5.103 16.553 ( -3.480 0.000 0.000) 3.480 16.875 ( 7.229 0.000 0.000) 7.229 17.700 ( -1.547 0.000 0.000) 1.547 17.890 ( 0.687 0.000 0.000) 0.687 18.132 ( -0.165 0.000 0.000) 0.165 18.539 ( 4.154 0.000 0.000) 4.154 19.175 ( -4.834 0.000 0.000) 4.834 19.365 ( -0.092 0.000 0.000) 0.092 19.366 ( -0.100 0.000 0.000) 0.100 19.564 ( 1.713 0.000 0.000) 1.713 19.614 ( -1.027 0.000 0.000) 1.027 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 24.653 0.000 0.000) 24.653 1.019 ( 23.746 0.000 0.000) 23.746 1.222 ( -8.252 0.000 0.000) 8.252 1.314 ( -2.672 0.000 0.000) 2.672 1.796 ( 2.385 0.000 0.000) 2.385 1.839 ( -0.124 0.000 0.000) 0.124 1.915 ( -3.868 0.000 0.000) 3.868 1.972 ( -2.572 0.000 0.000) 2.572 1.975 ( 24.646 0.000 0.000) 24.646 1.978 ( -6.385 0.000 0.000) 6.385 2.124 ( 10.185 0.000 0.000) 10.185 2.203 ( 8.495 0.000 0.000) 8.495 2.449 ( -8.239 0.000 0.000) 8.239 2.454 ( -4.285 0.000 0.000) 4.285 2.768 ( -4.248 0.000 0.000) 4.248 3.042 ( -8.890 0.000 0.000) 8.890 3.060 ( -7.655 0.000 0.000) 7.655 3.061 ( 9.346 0.000 0.000) 9.346 3.227 ( 8.192 0.000 0.000) 8.192 3.260 ( 11.678 0.000 0.000) 11.678 3.403 ( 1.838 0.000 0.000) 1.838 3.564 ( 1.534 0.000 0.000) 1.534 3.578 ( 1.374 0.000 0.000) 1.374 3.701 ( 0.826 0.000 0.000) 0.826 3.751 ( -0.125 0.000 0.000) 0.125 3.779 ( 1.312 0.000 0.000) 1.312 3.783 ( 1.005 0.000 0.000) 1.005 4.028 ( -4.542 0.000 0.000) 4.542 4.244 ( 14.070 0.000 0.000) 14.070 4.267 ( -3.372 0.000 0.000) 3.372 4.317 ( 11.783 0.000 0.000) 11.783 4.565 ( 1.172 0.000 0.000) 1.172 4.685 ( -8.465 0.000 0.000) 8.465 5.333 ( 6.073 0.000 0.000) 6.073 5.578 ( -14.699 0.000 0.000) 14.699 5.922 ( -5.638 0.000 0.000) 5.638 6.311 ( -9.803 0.000 0.000) 9.803 6.353 ( -6.586 0.000 0.000) 6.586 6.646 ( 10.209 0.000 0.000) 10.209 6.833 ( 4.871 0.000 0.000) 4.871 6.896 ( 1.909 0.000 0.000) 1.909 6.933 ( 1.245 0.000 0.000) 1.245 7.110 ( -6.024 0.000 0.000) 6.024 7.164 ( -6.441 0.000 0.000) 6.441 7.673 ( -3.162 0.000 0.000) 3.162 7.738 ( -8.810 0.000 0.000) 8.810 8.404 ( 2.595 0.000 0.000) 2.595 8.500 ( 3.470 0.000 0.000) 3.470 8.501 ( 9.308 0.000 0.000) 9.308 8.527 ( -4.238 0.000 0.000) 4.238 8.574 ( 5.028 0.000 0.000) 5.028 8.696 ( 9.822 0.000 0.000) 9.822 8.786 ( 17.145 0.000 0.000) 17.145 8.845 ( 20.144 0.000 0.000) 20.144 8.868 ( -3.514 0.000 0.000) 3.514 8.953 ( 0.726 0.000 0.000) 0.726 9.244 ( -8.069 0.000 0.000) 8.069 9.376 ( -6.629 0.000 0.000) 6.629 9.563 ( -8.612 0.000 0.000) 8.612 9.785 ( 4.361 0.000 0.000) 4.361 9.893 ( 12.163 0.000 0.000) 12.163 10.463 ( -3.344 0.000 0.000) 3.344 10.485 ( 2.645 0.000 0.000) 2.645 10.486 ( 2.646 0.000 0.000) 2.646 10.528 ( -0.186 0.000 0.000) 0.186 10.532 ( 7.321 0.000 0.000) 7.321 11.040 ( -3.105 0.000 0.000) 3.105 11.042 ( -3.203 0.000 0.000) 3.203 11.192 ( 0.151 0.000 0.000) 0.151 11.455 ( -17.714 0.000 0.000) 17.714 11.999 ( 0.976 0.000 0.000) 0.976 12.049 ( -7.377 0.000 0.000) 7.377 12.315 ( 1.828 0.000 0.000) 1.828 12.519 ( -2.833 0.000 0.000) 2.833 12.874 ( 0.072 0.000 0.000) 0.072 13.039 ( -5.761 0.000 0.000) 5.761 13.098 ( -3.109 0.000 0.000) 3.109 13.342 ( -2.844 0.000 0.000) 2.844 13.443 ( 5.100 0.000 0.000) 5.100 13.541 ( -2.002 0.000 0.000) 2.002 15.150 ( 9.556 0.000 0.000) 9.556 15.642 ( -2.925 0.000 0.000) 2.925 16.247 ( 0.427 0.000 0.000) 0.427 16.247 ( 0.420 0.000 0.000) 0.420 16.280 ( -4.528 0.000 0.000) 4.528 16.461 ( -6.244 0.000 0.000) 6.244 17.048 ( 10.894 0.000 0.000) 10.894 17.631 ( -6.178 0.000 0.000) 6.178 17.924 ( 2.992 0.000 0.000) 2.992 18.115 ( -1.824 0.000 0.000) 1.824 18.643 ( 6.643 0.000 0.000) 6.643 19.060 ( -7.088 0.000 0.000) 7.088 19.363 ( -0.113 0.000 0.000) 0.113 19.364 ( -0.127 0.000 0.000) 0.127 19.593 ( 1.112 0.000 0.000) 1.112 19.597 ( -0.567 0.000 0.000) 0.567 ======================= Grid point 3 (4/56) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.668 0.000 0.000) 0.668 1.187 ( -7.377 0.000 0.000) 7.377 1.429 ( 19.511 0.000 0.000) 19.511 1.500 ( 21.781 0.000 0.000) 21.781 1.722 ( -11.305 0.000 0.000) 11.305 1.771 ( -6.114 0.000 0.000) 6.114 1.884 ( 1.446 0.000 0.000) 1.446 1.887 ( -1.596 0.000 0.000) 1.596 1.923 ( -2.528 0.000 0.000) 2.528 2.014 ( -15.295 0.000 0.000) 15.295 2.234 ( 8.704 0.000 0.000) 8.704 2.364 ( -5.564 0.000 0.000) 5.564 2.406 ( 12.380 0.000 0.000) 12.380 2.630 ( -10.641 0.000 0.000) 10.641 2.827 ( 31.372 0.000 0.000) 31.372 2.932 ( -2.249 0.000 0.000) 2.249 2.949 ( -3.784 0.000 0.000) 3.784 3.182 ( -1.244 0.000 0.000) 1.244 3.353 ( 0.938 0.000 0.000) 0.938 3.354 ( 2.905 0.000 0.000) 2.905 3.579 ( -6.710 0.000 0.000) 6.710 3.583 ( 0.630 0.000 0.000) 0.630 3.589 ( 0.007 0.000 0.000) 0.007 3.597 ( 14.856 0.000 0.000) 14.856 3.650 ( -8.203 0.000 0.000) 8.203 3.798 ( 0.570 0.000 0.000) 0.570 3.798 ( 0.495 0.000 0.000) 0.495 3.862 ( -12.559 0.000 0.000) 12.559 4.306 ( 5.300 0.000 0.000) 5.300 4.371 ( 1.543 0.000 0.000) 1.543 4.434 ( 1.000 0.000 0.000) 1.000 4.524 ( -7.479 0.000 0.000) 7.479 4.832 ( 23.366 0.000 0.000) 23.366 5.251 ( -20.389 0.000 0.000) 20.389 5.509 ( 12.415 0.000 0.000) 12.415 5.755 ( -12.348 0.000 0.000) 12.348 6.201 ( -1.238 0.000 0.000) 1.238 6.241 ( -4.665 0.000 0.000) 4.665 6.830 ( 8.220 0.000 0.000) 8.220 6.906 ( 0.825 0.000 0.000) 0.825 6.940 ( 2.938 0.000 0.000) 2.938 6.974 ( 3.195 0.000 0.000) 3.195 7.009 ( -4.574 0.000 0.000) 4.574 7.053 ( -5.219 0.000 0.000) 5.219 7.610 ( -3.663 0.000 0.000) 3.663 7.611 ( -2.769 0.000 0.000) 2.769 8.420 ( 0.640 0.000 0.000) 0.640 8.454 ( -3.145 0.000 0.000) 3.145 8.570 ( 3.674 0.000 0.000) 3.674 8.608 ( 0.986 0.000 0.000) 0.986 8.674 ( 5.571 0.000 0.000) 5.571 8.771 ( -4.132 0.000 0.000) 4.132 8.887 ( 8.652 0.000 0.000) 8.652 9.044 ( 8.831 0.000 0.000) 8.831 9.071 ( -10.123 0.000 0.000) 10.123 9.098 ( 16.017 0.000 0.000) 16.017 9.224 ( -9.432 0.000 0.000) 9.432 9.262 ( 22.701 0.000 0.000) 22.701 9.365 ( -12.444 0.000 0.000) 12.444 9.653 ( -17.280 0.000 0.000) 17.280 10.167 ( 15.557 0.000 0.000) 15.557 10.377 ( -5.634 0.000 0.000) 5.634 10.527 ( 1.452 0.000 0.000) 1.452 10.528 ( 1.410 0.000 0.000) 1.410 10.595 ( 3.692 0.000 0.000) 3.692 10.620 ( 1.614 0.000 0.000) 1.614 10.991 ( -1.623 0.000 0.000) 1.623 10.992 ( -1.690 0.000 0.000) 1.690 11.157 ( -2.876 0.000 0.000) 2.876 11.187 ( -8.631 0.000 0.000) 8.631 11.974 ( -0.529 0.000 0.000) 0.529 11.994 ( -1.419 0.000 0.000) 1.419 12.371 ( 3.976 0.000 0.000) 3.976 12.451 ( -4.264 0.000 0.000) 4.264 12.888 ( 1.413 0.000 0.000) 1.413 12.941 ( -4.344 0.000 0.000) 4.344 13.123 ( 5.354 0.000 0.000) 5.354 13.248 ( -6.792 0.000 0.000) 6.792 13.509 ( 1.945 0.000 0.000) 1.945 13.524 ( -0.239 0.000 0.000) 0.239 15.341 ( 10.678 0.000 0.000) 10.678 15.530 ( -8.826 0.000 0.000) 8.826 16.252 ( 1.903 0.000 0.000) 1.903 16.253 ( 0.184 0.000 0.000) 0.184 16.253 ( 0.193 0.000 0.000) 0.193 16.336 ( -6.394 0.000 0.000) 6.394 17.264 ( 11.889 0.000 0.000) 11.889 17.475 ( -10.230 0.000 0.000) 10.230 17.993 ( 4.049 0.000 0.000) 4.049 18.065 ( -3.463 0.000 0.000) 3.463 18.777 ( 7.592 0.000 0.000) 7.592 18.921 ( -7.713 0.000 0.000) 7.713 19.361 ( -0.045 0.000 0.000) 0.045 19.362 ( -0.062 0.000 0.000) 0.062 19.596 ( 0.314 0.000 0.000) 0.314 19.602 ( -0.089 0.000 0.000) 0.089 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 26.806 0.000) 26.806 0.608 ( 0.000 31.054 0.000) 31.054 1.254 ( 0.000 54.278 0.000) 54.278 1.650 ( 0.000 -2.566 0.000) 2.566 1.747 ( 0.000 9.110 0.000) 9.110 1.770 ( 0.000 6.234 0.000) 6.234 1.875 ( 0.000 0.684 0.000) 0.684 1.882 ( 0.000 11.451 0.000) 11.451 1.920 ( 0.000 -6.337 0.000) 6.337 2.121 ( 0.000 13.479 0.000) 13.479 2.166 ( 0.000 -1.184 0.000) 1.184 2.308 ( 0.000 16.885 0.000) 16.885 2.649 ( 0.000 7.869 0.000) 7.869 2.846 ( 0.000 2.181 0.000) 2.181 2.987 ( 0.000 -1.876 0.000) 1.876 3.070 ( 0.000 0.421 0.000) 0.421 3.073 ( 0.000 0.614 0.000) 0.614 3.183 ( 0.000 21.042 0.000) 21.042 3.228 ( 0.000 7.620 0.000) 7.620 3.264 ( 0.000 -2.068 0.000) 2.068 3.361 ( 0.000 3.565 0.000) 3.565 3.402 ( 0.000 -1.617 0.000) 1.617 3.522 ( 0.000 15.385 0.000) 15.385 3.655 ( 0.000 3.561 0.000) 3.561 3.668 ( 0.000 14.595 0.000) 14.595 3.758 ( 0.000 1.190 0.000) 1.190 3.890 ( 0.000 23.330 0.000) 23.330 3.892 ( 0.000 12.890 0.000) 12.890 3.990 ( 0.000 20.089 0.000) 20.089 4.252 ( 0.000 12.122 0.000) 12.122 4.259 ( 0.000 14.330 0.000) 14.330 4.575 ( 0.000 11.466 0.000) 11.466 4.707 ( 0.000 -6.004 0.000) 6.004 5.277 ( 0.000 1.217 0.000) 1.217 5.934 ( 0.000 3.236 0.000) 3.236 5.986 ( 0.000 -0.917 0.000) 0.917 6.342 ( 0.000 -0.051 0.000) 0.051 6.562 ( 0.000 -1.460 0.000) 1.460 6.596 ( 0.000 -2.797 0.000) 2.797 6.765 ( 0.000 -1.179 0.000) 1.179 7.019 ( 0.000 14.591 0.000) 14.591 7.062 ( 0.000 13.549 0.000) 13.549 7.507 ( 0.000 19.820 0.000) 19.820 7.625 ( 0.000 -9.478 0.000) 9.478 7.812 ( 0.000 1.066 0.000) 1.066 7.832 ( 0.000 -11.961 0.000) 11.961 8.079 ( 0.000 0.144 0.000) 0.144 8.204 ( 0.000 -4.514 0.000) 4.514 8.352 ( 0.000 -2.573 0.000) 2.573 8.450 ( 0.000 1.494 0.000) 1.494 8.484 ( 0.000 2.743 0.000) 2.743 8.574 ( 0.000 2.019 0.000) 2.019 8.604 ( 0.000 11.120 0.000) 11.120 8.645 ( 0.000 0.098 0.000) 0.098 9.081 ( 0.000 11.899 0.000) 11.899 9.088 ( 0.000 10.506 0.000) 10.506 9.316 ( 0.000 -10.241 0.000) 10.241 9.467 ( 0.000 0.936 0.000) 0.936 9.481 ( 0.000 5.501 0.000) 5.501 9.642 ( 0.000 5.612 0.000) 5.612 9.757 ( 0.000 -3.631 0.000) 3.631 9.845 ( 0.000 7.678 0.000) 7.678 10.315 ( 0.000 1.682 0.000) 1.682 10.463 ( 0.000 3.671 0.000) 3.671 10.690 ( 0.000 0.308 0.000) 0.308 11.058 ( 0.000 -4.802 0.000) 4.802 11.080 ( 0.000 -2.793 0.000) 2.793 11.177 ( 0.000 1.894 0.000) 1.894 11.545 ( 0.000 0.186 0.000) 0.186 11.892 ( 0.000 -0.400 0.000) 0.400 12.282 ( 0.000 -1.507 0.000) 1.507 12.335 ( 0.000 4.119 0.000) 4.119 12.341 ( 0.000 9.574 0.000) 9.574 12.634 ( 0.000 7.309 0.000) 7.309 12.746 ( 0.000 -20.203 0.000) 20.203 13.063 ( 0.000 -10.479 0.000) 10.479 13.204 ( 0.000 2.164 0.000) 2.164 13.295 ( 0.000 -1.244 0.000) 1.244 13.397 ( 0.000 3.953 0.000) 3.953 13.598 ( 0.000 20.808 0.000) 20.808 13.611 ( 0.000 0.503 0.000) 0.503 14.852 ( 0.000 -8.345 0.000) 8.345 15.537 ( 0.000 -11.406 0.000) 11.406 15.677 ( 0.000 -30.493 0.000) 30.493 16.453 ( 0.000 -13.184 0.000) 13.184 16.812 ( 0.000 12.741 0.000) 12.741 16.918 ( 0.000 -35.661 0.000) 35.661 17.526 ( 0.000 -17.805 0.000) 17.805 17.777 ( 0.000 -10.973 0.000) 10.973 18.168 ( 0.000 -23.456 0.000) 23.456 18.625 ( 0.000 -26.362 0.000) 26.362 18.996 ( 0.000 -33.090 0.000) 33.090 19.804 ( 0.000 33.836 0.000) 33.836 19.837 ( 0.000 34.157 0.000) 34.157 19.888 ( 0.000 25.080 0.000) 25.080 20.281 ( 0.000 29.518 0.000) 29.518 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.14 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 14.032 16.941 0.000) 21.998 0.793 ( 17.265 22.963 0.000) 28.730 1.508 ( -17.677 2.024 0.000) 17.792 1.575 ( 23.279 40.200 0.000) 46.454 1.662 ( 1.753 -2.249 0.000) 2.852 1.743 ( 3.495 8.767 0.000) 9.438 1.869 ( -0.977 8.258 0.000) 8.316 1.962 ( 1.108 3.008 0.000) 3.205 1.972 ( 5.887 -3.124 0.000) 6.665 2.113 ( -3.638 1.283 0.000) 3.857 2.115 ( -0.928 12.923 0.000) 12.956 2.342 ( 2.338 16.572 0.000) 16.736 2.616 ( -2.504 8.114 0.000) 8.492 2.725 ( -10.641 3.271 0.000) 11.132 2.882 ( -4.240 4.438 0.000) 6.137 3.034 ( 5.106 -1.905 0.000) 5.450 3.077 ( 1.767 9.528 0.000) 9.691 3.218 ( 3.003 15.392 0.000) 15.682 3.230 ( -1.171 5.242 0.000) 5.371 3.294 ( -5.662 5.110 0.000) 7.627 3.415 ( 8.377 3.339 0.000) 9.018 3.562 ( -2.321 -0.879 0.000) 2.482 3.647 ( 10.474 12.865 0.000) 16.590 3.678 ( 4.719 3.474 0.000) 5.860 3.711 ( 4.399 14.697 0.000) 15.342 3.743 ( -1.166 -0.991 0.000) 1.530 4.005 ( 2.785 21.674 0.000) 21.852 4.099 ( 14.370 15.554 0.000) 21.176 4.170 ( 21.270 -10.456 0.000) 23.701 4.256 ( -0.330 14.236 0.000) 14.240 4.293 ( 4.214 9.208 0.000) 10.127 4.484 ( -7.195 10.135 0.000) 12.429 4.737 ( -0.024 -2.554 0.000) 2.554 5.280 ( 0.959 1.063 0.000) 1.432 5.825 ( -9.490 2.228 0.000) 9.748 5.996 ( -0.774 0.885 0.000) 1.176 6.392 ( 2.631 -0.657 0.000) 2.712 6.483 ( -10.143 -2.326 0.000) 10.407 6.500 ( -3.328 -2.573 0.000) 4.207 6.737 ( -2.696 -3.795 0.000) 4.655 7.029 ( 1.566 14.691 0.000) 14.775 7.069 ( 0.680 13.810 0.000) 13.827 7.405 ( -8.544 10.787 0.000) 13.761 7.565 ( -14.166 14.396 0.000) 20.197 7.672 ( 0.323 -1.026 0.000) 1.076 7.779 ( -5.483 -10.559 0.000) 11.898 8.177 ( 8.210 -4.673 0.000) 9.447 8.233 ( 4.920 -6.112 0.000) 7.846 8.425 ( 6.185 -1.687 0.000) 6.411 8.488 ( 5.293 -2.101 0.000) 5.695 8.534 ( 5.108 4.453 0.000) 6.777 8.586 ( 2.620 0.032 0.000) 2.621 8.647 ( -0.570 2.162 0.000) 2.236 8.675 ( 7.602 10.432 0.000) 12.908 9.051 ( -3.896 12.928 0.000) 13.502 9.087 ( -1.288 11.363 0.000) 11.436 9.324 ( 0.626 -7.634 0.000) 7.659 9.447 ( -3.507 4.627 0.000) 5.806 9.548 ( 9.831 -1.411 0.000) 9.932 9.644 ( -4.353 -5.485 0.000) 7.003 9.850 ( 1.037 6.667 0.000) 6.747 9.929 ( 13.855 -7.684 0.000) 15.843 10.393 ( 7.409 1.519 0.000) 7.563 10.476 ( 1.434 3.225 0.000) 3.530 10.629 ( -6.323 0.892 0.000) 6.386 11.037 ( -1.979 -3.127 0.000) 3.700 11.041 ( -3.232 -3.206 0.000) 4.553 11.224 ( 4.104 3.432 0.000) 5.350 11.242 ( -15.881 20.617 0.000) 26.024 11.806 ( -11.110 3.032 0.000) 11.516 12.125 ( -3.450 14.794 0.000) 15.191 12.276 ( -5.998 6.504 0.000) 8.848 12.291 ( 0.530 0.143 0.000) 0.549 12.615 ( -1.932 5.439 0.000) 5.772 12.788 ( -2.824 -14.539 0.000) 14.811 13.019 ( -4.385 -10.034 0.000) 10.950 13.158 ( -5.009 -1.420 0.000) 5.207 13.357 ( 6.299 2.356 0.000) 6.725 13.397 ( -0.305 3.552 0.000) 3.565 13.592 ( -1.898 0.643 0.000) 2.004 14.562 ( 46.396 -40.144 0.000) 61.352 14.997 ( 22.145 -14.917 0.000) 26.700 15.481 ( -4.800 -18.194 0.000) 18.817 15.752 ( 6.584 -22.898 0.000) 23.825 16.440 ( -1.712 -13.458 0.000) 13.567 16.737 ( -7.362 10.505 0.000) 12.828 16.946 ( 2.528 -28.605 0.000) 28.716 17.523 ( -1.096 -16.610 0.000) 16.646 17.779 ( 0.685 -11.062 0.000) 11.083 18.216 ( 4.866 -23.069 0.000) 23.577 18.452 ( -16.258 -12.603 0.000) 20.571 18.880 ( -7.964 -23.684 0.000) 24.987 19.804 ( -0.005 33.887 0.000) 33.887 19.826 ( -1.208 35.047 0.000) 35.068 19.866 ( -2.082 24.281 0.000) 24.370 20.001 ( -13.915 38.952 0.000) 41.362 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.29 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 11.851 -0.225 0.000) 11.853 1.129 ( 7.787 7.886 0.000) 11.083 1.252 ( 1.071 5.780 0.000) 5.878 1.546 ( -3.277 12.156 0.000) 12.590 1.728 ( -0.818 -2.804 0.000) 2.921 1.836 ( -2.850 -5.114 0.000) 5.854 1.956 ( -0.842 11.900 0.000) 11.930 2.019 ( -1.723 -1.794 0.000) 2.488 2.072 ( -3.175 11.319 0.000) 11.756 2.138 ( 12.992 10.134 0.000) 16.477 2.273 ( 21.325 22.470 0.000) 30.978 2.362 ( 0.152 12.908 0.000) 12.909 2.517 ( -4.399 6.877 0.000) 8.163 2.592 ( 0.470 11.308 0.000) 11.318 2.862 ( 0.375 7.345 0.000) 7.354 3.035 ( -5.023 4.683 0.000) 6.867 3.126 ( -8.287 8.615 0.000) 11.953 3.193 ( 8.732 0.606 0.000) 8.753 3.266 ( 5.473 10.961 0.000) 12.251 3.316 ( 5.683 2.069 0.000) 6.048 3.459 ( -1.587 9.605 0.000) 9.735 3.567 ( 3.051 -0.376 0.000) 3.074 3.692 ( -2.395 3.531 0.000) 4.267 3.755 ( 2.443 7.970 0.000) 8.336 3.803 ( 4.403 4.955 0.000) 6.629 3.859 ( 4.252 13.988 0.000) 14.620 4.064 ( 2.947 22.951 0.000) 23.140 4.258 ( 1.433 14.949 0.000) 15.017 4.314 ( 4.738 6.339 0.000) 7.914 4.348 ( -6.742 12.069 0.000) 13.825 4.364 ( 10.829 5.548 0.000) 12.167 4.522 ( 15.892 2.352 0.000) 16.065 4.656 ( -8.273 -1.633 0.000) 8.433 5.338 ( 5.896 1.015 0.000) 5.983 5.601 ( -14.461 2.391 0.000) 14.657 5.945 ( -5.130 2.399 0.000) 5.663 6.277 ( -10.444 -2.856 0.000) 10.827 6.304 ( -7.548 -2.987 0.000) 8.118 6.587 ( 8.184 -4.983 0.000) 9.581 6.715 ( 0.917 -8.289 0.000) 8.339 7.061 ( 0.865 13.523 0.000) 13.551 7.109 ( 4.372 14.997 0.000) 15.621 7.240 ( -8.245 6.445 0.000) 10.465 7.356 ( -8.109 14.759 0.000) 16.840 7.659 ( -6.157 -6.861 0.000) 9.218 7.677 ( -0.534 3.534 0.000) 3.574 8.271 ( 1.104 -10.695 0.000) 10.751 8.319 ( 1.754 -9.439 0.000) 9.601 8.509 ( 2.898 -0.258 0.000) 2.910 8.578 ( 3.311 -2.322 0.000) 4.045 8.629 ( 5.727 6.143 0.000) 8.399 8.705 ( 7.753 1.244 0.000) 7.852 8.792 ( 16.970 -4.910 0.000) 17.666 8.861 ( 11.250 6.171 0.000) 12.832 8.948 ( -5.910 8.600 0.000) 10.435 9.048 ( -2.282 9.473 0.000) 9.744 9.309 ( -3.459 3.725 0.000) 5.083 9.372 ( -3.209 0.680 0.000) 3.280 9.523 ( -7.838 -4.223 0.000) 8.903 9.733 ( 6.349 -3.573 0.000) 7.286 9.923 ( 7.898 2.293 0.000) 8.224 10.161 ( 10.169 -7.232 0.000) 12.479 10.471 ( -5.451 0.180 0.000) 5.454 10.471 ( -3.313 0.024 0.000) 3.313 10.579 ( 8.788 3.196 0.000) 9.351 10.984 ( -2.281 -3.055 0.000) 3.813 10.998 ( -3.102 -3.532 0.000) 4.701 11.033 ( -8.039 18.764 0.000) 20.414 11.305 ( 3.799 7.585 0.000) 8.483 11.550 ( -13.551 10.199 0.000) 16.960 12.108 ( -0.514 9.825 0.000) 9.839 12.143 ( -7.015 9.627 0.000) 11.912 12.322 ( 3.084 2.152 0.000) 3.761 12.565 ( -3.357 2.996 0.000) 4.499 12.749 ( -1.215 -12.934 0.000) 12.991 12.917 ( -6.179 -9.809 0.000) 11.593 13.084 ( -1.012 -0.056 0.000) 1.014 13.369 ( -3.304 2.727 0.000) 4.284 13.474 ( 5.441 3.120 0.000) 6.272 13.558 ( -1.122 1.642 0.000) 1.988 14.918 ( 8.989 -21.401 0.000) 23.212 15.373 ( -6.770 -22.086 0.000) 23.100 15.615 ( 29.943 -30.766 0.000) 42.931 15.895 ( 8.383 -17.062 0.000) 19.010 16.375 ( -5.435 -13.139 0.000) 14.219 16.563 ( -10.804 5.751 0.000) 12.239 17.009 ( 4.673 -17.769 0.000) 18.373 17.458 ( -6.087 -15.525 0.000) 16.675 17.816 ( 3.300 -10.966 0.000) 11.451 18.176 ( -11.592 -5.037 0.000) 12.639 18.334 ( 7.319 -22.303 0.000) 23.474 18.748 ( -6.755 -22.104 0.000) 23.113 19.800 ( -1.093 32.881 0.000) 32.899 19.805 ( 0.090 33.950 0.000) 33.950 19.826 ( -1.871 22.568 0.000) 22.645 19.871 ( -2.919 28.736 0.000) 28.884 ======================= Grid point 10 (8/56) ======================= q-point: ( 0.43 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -2.261 -4.205 0.000) 4.775 1.063 ( -1.153 -7.908 0.000) 7.992 1.549 ( 13.773 6.117 0.000) 15.070 1.594 ( 5.847 7.385 0.000) 9.420 1.731 ( 2.957 4.847 0.000) 5.678 1.809 ( 2.889 -3.835 0.000) 4.802 1.869 ( -8.516 11.737 0.000) 14.501 1.964 ( -6.217 -0.472 0.000) 6.235 2.055 ( 1.415 12.417 0.000) 12.497 2.151 ( -11.242 12.412 0.000) 16.747 2.312 ( 5.095 7.719 0.000) 9.249 2.362 ( -0.585 6.683 0.000) 6.709 2.647 ( 5.833 14.504 0.000) 15.633 2.787 ( -1.688 7.858 0.000) 8.037 2.815 ( 3.844 11.271 0.000) 11.909 2.929 ( -5.581 4.609 0.000) 7.238 3.187 ( 16.894 15.506 0.000) 22.932 3.330 ( 4.783 -0.882 0.000) 4.864 3.354 ( 2.274 7.405 0.000) 7.746 3.420 ( -1.695 2.935 0.000) 3.389 3.442 ( 7.667 -0.068 0.000) 7.667 3.634 ( 3.661 5.588 0.000) 6.681 3.649 ( -3.306 3.889 0.000) 5.104 3.748 ( -13.628 17.220 0.000) 21.961 3.780 ( 0.350 10.596 0.000) 10.602 3.805 ( -2.329 10.183 0.000) 10.446 4.115 ( 3.251 23.393 0.000) 23.618 4.203 ( -6.124 21.763 0.000) 22.608 4.370 ( 6.237 7.406 0.000) 9.683 4.379 ( 3.253 0.895 0.000) 3.374 4.479 ( 0.009 7.274 0.000) 7.274 4.497 ( -6.484 -0.816 0.000) 6.535 4.886 ( 22.135 5.791 0.000) 22.880 5.284 ( -19.575 3.377 0.000) 19.864 5.516 ( 12.949 1.054 0.000) 12.992 5.775 ( -13.028 2.152 0.000) 13.204 6.157 ( -1.738 -3.577 0.000) 3.977 6.188 ( -4.341 -3.962 0.000) 5.877 6.717 ( 4.668 -8.318 0.000) 9.538 6.745 ( 1.116 -9.886 0.000) 9.948 7.072 ( 0.931 8.935 0.000) 8.983 7.118 ( -4.479 5.589 0.000) 7.162 7.194 ( 3.537 15.626 0.000) 16.021 7.249 ( -3.591 15.104 0.000) 15.525 7.599 ( 0.535 1.259 0.000) 1.368 7.646 ( -2.836 6.181 0.000) 6.801 8.261 ( -0.577 -12.389 0.000) 12.402 8.287 ( -3.175 -11.739 0.000) 12.161 8.568 ( 3.492 -1.754 0.000) 3.908 8.616 ( -0.521 -1.932 0.000) 2.001 8.745 ( 6.337 5.908 0.000) 8.663 8.850 ( -3.210 2.190 0.000) 3.886 8.874 ( 7.263 3.026 0.000) 7.868 8.989 ( -0.118 -3.804 0.000) 3.806 9.048 ( 3.194 2.210 0.000) 3.884 9.066 ( 6.692 -3.868 0.000) 7.730 9.246 ( 0.164 4.772 0.000) 4.775 9.363 ( -9.017 -0.405 0.000) 9.026 9.398 ( 9.975 7.128 0.000) 12.260 9.671 ( -13.230 1.346 0.000) 13.298 10.132 ( 11.885 -2.861 0.000) 12.225 10.238 ( -0.198 -6.509 0.000) 6.512 10.429 ( 1.492 -1.253 0.000) 1.948 10.444 ( -1.923 -2.467 0.000) 3.127 10.714 ( 5.471 3.266 0.000) 6.372 10.834 ( -9.141 2.864 0.000) 9.579 10.969 ( 0.584 -1.381 0.000) 1.499 10.989 ( -1.113 2.694 0.000) 2.914 11.341 ( 0.294 14.545 0.000) 14.548 11.372 ( -4.862 17.526 0.000) 18.187 12.061 ( -1.147 9.194 0.000) 9.266 12.081 ( -2.154 8.156 0.000) 8.435 12.402 ( 5.089 3.961 0.000) 6.449 12.493 ( -4.401 3.101 0.000) 5.384 12.744 ( 1.230 -13.369 0.000) 13.426 12.806 ( -5.159 -11.294 0.000) 12.416 13.139 ( 6.063 1.704 0.000) 6.298 13.269 ( -6.919 2.076 0.000) 7.223 13.545 ( 1.999 3.610 0.000) 4.126 13.556 ( 0.340 3.094 0.000) 3.113 15.074 ( 8.338 -21.615 0.000) 23.168 15.231 ( -8.280 -22.794 0.000) 24.251 16.041 ( 16.489 -17.321 0.000) 23.915 16.056 ( 8.548 -14.472 0.000) 16.808 16.247 ( -7.132 -10.756 0.000) 12.905 16.345 ( -12.451 -1.506 0.000) 12.541 17.133 ( 8.531 -14.613 0.000) 16.921 17.307 ( -9.437 -15.066 0.000) 17.777 17.897 ( 5.227 -10.360 0.000) 11.604 18.010 ( -7.032 -8.350 0.000) 10.916 18.477 ( 7.742 -21.779 0.000) 23.114 18.617 ( -7.308 -21.771 0.000) 22.965 19.791 ( 0.076 28.316 0.000) 28.316 19.799 ( -0.726 26.811 0.000) 26.820 19.814 ( 0.622 28.503 0.000) 28.509 19.834 ( -1.465 27.839 0.000) 27.878 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 21.241 0.000) 21.241 1.234 ( 0.000 31.650 0.000) 31.650 1.565 ( 0.000 -4.451 0.000) 4.451 1.632 ( 0.000 1.177 0.000) 1.177 1.803 ( 0.000 -4.593 0.000) 4.593 1.875 ( 0.000 2.266 0.000) 2.266 1.902 ( 0.000 5.599 0.000) 5.599 2.143 ( 0.000 -0.645 0.000) 0.645 2.160 ( 0.000 11.020 0.000) 11.020 2.427 ( 0.000 15.836 0.000) 15.836 2.585 ( 0.000 55.316 0.000) 55.316 2.664 ( 0.000 14.963 0.000) 14.963 2.809 ( 0.000 7.623 0.000) 7.623 2.929 ( 0.000 6.288 0.000) 6.288 3.037 ( 0.000 11.069 0.000) 11.069 3.073 ( 0.000 -0.082 0.000) 0.082 3.239 ( 0.000 16.132 0.000) 16.132 3.251 ( 0.000 0.620 0.000) 0.620 3.358 ( 0.000 -0.663 0.000) 0.663 3.407 ( 0.000 8.540 0.000) 8.540 3.431 ( 0.000 3.652 0.000) 3.652 3.585 ( 0.000 8.913 0.000) 8.913 3.676 ( 0.000 -6.208 0.000) 6.208 3.824 ( 0.000 20.852 0.000) 20.852 3.956 ( 0.000 25.677 0.000) 25.677 4.039 ( 0.000 17.904 0.000) 17.904 4.190 ( 0.000 13.864 0.000) 13.864 4.376 ( 0.000 -5.651 0.000) 5.651 4.449 ( 0.000 29.440 0.000) 29.440 4.494 ( 0.000 29.416 0.000) 29.416 4.586 ( 0.000 20.965 0.000) 20.965 4.807 ( 0.000 19.083 0.000) 19.083 4.887 ( 0.000 17.989 0.000) 17.989 5.335 ( 0.000 5.136 0.000) 5.136 5.955 ( 0.000 -2.276 0.000) 2.276 6.034 ( 0.000 6.774 0.000) 6.774 6.336 ( 0.000 -0.712 0.000) 0.712 6.524 ( 0.000 -4.324 0.000) 4.324 6.532 ( 0.000 -1.497 0.000) 1.497 6.755 ( 0.000 0.700 0.000) 0.700 7.355 ( 0.000 11.653 0.000) 11.653 7.390 ( 0.000 -13.075 0.000) 13.075 7.400 ( 0.000 18.405 0.000) 18.405 7.550 ( 0.000 -9.262 0.000) 9.262 7.793 ( 0.000 0.763 0.000) 0.763 7.798 ( 0.000 -2.734 0.000) 2.734 8.103 ( 0.000 2.496 0.000) 2.496 8.180 ( 0.000 5.860 0.000) 5.860 8.327 ( 0.000 0.143 0.000) 0.143 8.457 ( 0.000 -5.881 0.000) 5.881 8.511 ( 0.000 5.438 0.000) 5.438 8.634 ( 0.000 -1.540 0.000) 1.540 8.638 ( 0.000 3.301 0.000) 3.301 8.843 ( 0.000 12.182 0.000) 12.182 9.205 ( 0.000 0.356 0.000) 0.356 9.273 ( 0.000 4.062 0.000) 4.062 9.314 ( 0.000 8.781 0.000) 8.781 9.555 ( 0.000 0.990 0.000) 0.990 9.571 ( 0.000 11.866 0.000) 11.866 9.667 ( 0.000 -4.432 0.000) 4.432 9.875 ( 0.000 18.592 0.000) 18.592 9.879 ( 0.000 -3.332 0.000) 3.332 10.412 ( 0.000 6.650 0.000) 6.650 10.557 ( 0.000 5.206 0.000) 5.206 10.689 ( 0.000 -0.751 0.000) 0.751 10.959 ( 0.000 -4.101 0.000) 4.101 11.055 ( 0.000 1.265 0.000) 1.265 11.189 ( 0.000 -1.613 0.000) 1.613 11.548 ( 0.000 0.147 0.000) 0.147 11.876 ( 0.000 -1.506 0.000) 1.506 12.183 ( 0.000 -12.827 0.000) 12.827 12.323 ( 0.000 -9.663 0.000) 9.663 12.425 ( 0.000 -6.740 0.000) 6.740 12.600 ( 0.000 15.691 0.000) 15.691 12.829 ( 0.000 11.856 0.000) 11.856 12.950 ( 0.000 4.424 0.000) 4.424 13.267 ( 0.000 -1.399 0.000) 1.399 13.269 ( 0.000 4.518 0.000) 4.518 13.515 ( 0.000 7.942 0.000) 7.942 13.622 ( 0.000 0.138 0.000) 0.138 13.999 ( 0.000 18.955 0.000) 18.955 14.638 ( 0.000 -12.092 0.000) 12.092 15.164 ( 0.000 -20.279 0.000) 20.279 15.218 ( 0.000 -20.005 0.000) 20.005 16.083 ( 0.000 -23.312 0.000) 23.312 16.094 ( 0.000 -44.073 0.000) 44.073 16.865 ( 0.000 -5.567 0.000) 5.567 17.077 ( 0.000 -24.875 0.000) 24.875 17.462 ( 0.000 -20.135 0.000) 20.135 17.696 ( 0.000 -24.249 0.000) 24.249 18.033 ( 0.000 -31.784 0.000) 31.784 18.327 ( 0.000 -33.744 0.000) 33.744 20.521 ( 0.000 35.637 0.000) 35.637 20.526 ( 0.000 37.126 0.000) 37.126 20.561 ( 0.000 37.138 0.000) 37.138 20.859 ( 0.000 28.601 0.000) 28.601 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.14 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -1.260 14.172 0.000) 14.228 1.316 ( 7.555 27.586 0.000) 28.602 1.535 ( -17.391 0.484 0.000) 17.398 1.621 ( 5.812 -0.228 0.000) 5.816 1.722 ( 6.125 3.590 0.000) 7.100 1.919 ( -6.201 1.399 0.000) 6.357 1.919 ( 5.201 -1.164 0.000) 5.330 2.128 ( 0.566 2.349 0.000) 2.416 2.171 ( 2.855 11.474 0.000) 11.824 2.408 ( -3.080 15.536 0.000) 15.838 2.685 ( 11.318 49.725 0.000) 50.997 2.691 ( 1.476 15.005 0.000) 15.077 2.783 ( -1.305 7.706 0.000) 7.816 2.823 ( -8.940 7.544 0.000) 11.698 2.949 ( -4.750 2.701 0.000) 5.464 3.121 ( 7.547 11.068 0.000) 13.397 3.264 ( 0.120 13.101 0.000) 13.101 3.329 ( 2.260 0.398 0.000) 2.295 3.423 ( 2.502 10.017 0.000) 10.324 3.430 ( 1.959 1.123 0.000) 2.258 3.475 ( 0.758 3.015 0.000) 3.109 3.666 ( 8.878 8.491 0.000) 12.285 3.675 ( 0.233 -5.081 0.000) 5.086 3.853 ( 3.135 19.637 0.000) 19.885 4.033 ( 6.939 23.547 0.000) 24.548 4.042 ( 1.292 17.320 0.000) 17.368 4.240 ( 9.426 11.541 0.000) 14.901 4.375 ( 0.276 -3.515 0.000) 3.525 4.502 ( 3.308 25.358 0.000) 25.573 4.562 ( 4.405 28.206 0.000) 28.548 4.595 ( 3.331 20.179 0.000) 20.452 4.799 ( -1.087 20.973 0.000) 21.001 4.876 ( -1.882 16.400 0.000) 16.508 5.335 ( 0.781 4.940 0.000) 5.002 5.881 ( -7.754 2.638 0.000) 8.191 6.035 ( 0.066 3.432 0.000) 3.433 6.373 ( 3.537 -1.980 0.000) 4.053 6.424 ( -9.569 -3.527 0.000) 10.199 6.459 ( -7.149 -0.741 0.000) 7.187 6.671 ( -7.841 -1.800 0.000) 8.045 7.321 ( -6.510 -12.457 0.000) 14.055 7.332 ( -3.468 3.255 0.000) 4.756 7.402 ( 1.366 18.475 0.000) 18.526 7.565 ( 1.838 0.054 0.000) 1.839 7.681 ( -8.900 -1.782 0.000) 9.077 7.867 ( 3.824 7.932 0.000) 8.806 8.109 ( -0.278 -1.437 0.000) 1.464 8.161 ( 0.237 1.449 0.000) 1.468 8.398 ( 7.558 -1.945 0.000) 7.804 8.483 ( -0.120 2.681 0.000) 2.684 8.511 ( 4.367 -4.014 0.000) 5.931 8.667 ( 1.740 0.025 0.000) 1.740 8.670 ( 3.822 5.349 0.000) 6.574 8.891 ( 4.833 10.866 0.000) 11.892 9.238 ( 3.866 0.318 0.000) 3.879 9.326 ( 5.352 7.452 0.000) 9.174 9.351 ( -1.020 11.858 0.000) 11.902 9.510 ( -4.528 0.656 0.000) 4.575 9.534 ( -11.616 4.109 0.000) 12.321 9.618 ( 3.777 4.466 0.000) 5.848 9.901 ( 1.948 -1.345 0.000) 2.367 9.908 ( 5.543 5.113 0.000) 7.541 10.460 ( 4.365 4.275 0.000) 6.110 10.560 ( 0.725 4.867 0.000) 4.920 10.647 ( -4.733 0.736 0.000) 4.790 10.959 ( -0.467 -3.394 0.000) 3.426 11.015 ( -3.193 1.152 0.000) 3.395 11.259 ( 6.409 -0.672 0.000) 6.445 11.439 ( -10.115 3.665 0.000) 10.758 11.834 ( -4.695 -1.140 0.000) 4.831 12.172 ( -0.736 -11.258 0.000) 11.282 12.318 ( -0.363 -9.151 0.000) 9.159 12.445 ( 2.466 -1.455 0.000) 2.864 12.584 ( -1.947 13.766 0.000) 13.903 12.721 ( -9.479 8.383 0.000) 12.654 12.965 ( -0.056 8.876 0.000) 8.876 13.158 ( -5.344 0.903 0.000) 5.419 13.407 ( 8.564 2.946 0.000) 9.057 13.504 ( -1.456 7.097 0.000) 7.245 13.606 ( -1.175 0.555 0.000) 1.299 14.257 ( 20.550 0.862 0.000) 20.568 14.752 ( 13.945 -11.729 0.000) 18.222 15.061 ( -6.350 -20.204 0.000) 21.179 15.351 ( 9.116 -19.720 0.000) 21.725 16.046 ( -1.973 -26.710 0.000) 26.783 16.227 ( 11.060 -37.918 0.000) 39.498 16.722 ( -11.892 -10.416 0.000) 15.809 17.131 ( 1.907 -20.495 0.000) 20.584 17.462 ( 0.610 -20.185 0.000) 20.195 17.742 ( 4.659 -24.727 0.000) 25.162 17.973 ( -6.113 -29.522 0.000) 30.148 18.297 ( -3.013 -32.236 0.000) 32.377 20.489 ( -3.009 35.548 0.000) 35.676 20.528 ( 0.140 37.281 0.000) 37.281 20.557 ( -0.329 37.178 0.000) 37.179 20.735 ( -10.928 33.783 0.000) 35.507 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.29 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -4.325 -0.191 0.000) 4.329 1.178 ( -15.281 -0.527 0.000) 15.290 1.564 ( 13.781 21.624 0.000) 25.642 1.677 ( -1.006 4.151 0.000) 4.271 1.779 ( -6.687 -0.205 0.000) 6.691 1.829 ( 7.030 10.877 0.000) 12.951 2.014 ( 3.324 2.389 0.000) 4.093 2.219 ( 1.911 12.057 0.000) 12.207 2.245 ( 10.409 2.987 0.000) 10.829 2.316 ( -6.210 14.386 0.000) 15.669 2.630 ( -10.820 9.248 0.000) 14.233 2.647 ( -4.334 12.792 0.000) 13.507 2.826 ( 3.999 11.375 0.000) 12.058 2.903 ( 4.125 13.635 0.000) 14.245 3.045 ( 16.562 24.878 0.000) 29.887 3.172 ( -3.238 4.632 0.000) 5.651 3.285 ( -2.808 1.204 0.000) 3.055 3.309 ( 5.890 14.299 0.000) 15.465 3.416 ( -1.077 5.667 0.000) 5.768 3.449 ( -1.136 5.136 0.000) 5.260 3.481 ( 1.359 5.329 0.000) 5.499 3.714 ( 4.431 3.156 0.000) 5.440 3.816 ( 4.773 16.961 0.000) 17.620 3.949 ( 6.475 12.178 0.000) 13.792 4.035 ( -0.718 14.645 0.000) 14.662 4.213 ( 8.072 21.276 0.000) 22.756 4.411 ( 4.403 1.211 0.000) 4.566 4.465 ( 10.050 8.630 0.000) 13.247 4.552 ( -1.476 18.097 0.000) 18.157 4.596 ( 6.715 24.455 0.000) 25.360 4.728 ( -8.782 18.778 0.000) 20.730 4.784 ( 14.520 20.524 0.000) 25.141 4.810 ( -3.129 21.738 0.000) 21.962 5.394 ( 5.892 5.040 0.000) 7.753 5.681 ( -13.314 5.853 0.000) 14.544 6.019 ( -3.163 4.616 0.000) 5.596 6.213 ( -11.443 -3.337 0.000) 11.920 6.281 ( -9.888 1.004 0.000) 9.939 6.465 ( 4.730 -6.974 0.000) 8.426 6.546 ( -3.613 -7.436 0.000) 8.268 7.184 ( -7.312 -10.568 0.000) 12.851 7.211 ( -8.220 -6.298 0.000) 10.355 7.465 ( 4.093 18.299 0.000) 18.751 7.521 ( -6.330 0.602 0.000) 6.359 7.629 ( 5.446 9.829 0.000) 11.237 7.920 ( 1.518 15.564 0.000) 15.637 8.085 ( -1.763 -5.298 0.000) 5.584 8.187 ( 0.321 -3.353 0.000) 3.369 8.523 ( 3.822 -1.019 0.000) 3.956 8.527 ( 2.786 1.743 0.000) 3.286 8.605 ( 7.333 -8.703 0.000) 11.380 8.712 ( 3.549 -0.541 0.000) 3.590 8.800 ( 9.865 6.292 0.000) 11.701 9.006 ( 6.753 7.990 0.000) 10.462 9.219 ( -14.192 17.216 0.000) 22.312 9.271 ( -6.439 10.293 0.000) 12.141 9.352 ( 7.861 1.824 0.000) 8.070 9.401 ( -6.642 0.850 0.000) 6.696 9.427 ( -1.433 -2.512 0.000) 2.892 9.693 ( 3.857 -0.427 0.000) 3.881 9.954 ( 4.654 0.527 0.000) 4.684 10.103 ( 12.783 -0.528 0.000) 12.794 10.484 ( -2.163 1.292 0.000) 2.520 10.496 ( -10.760 2.121 0.000) 10.967 10.641 ( 7.145 2.800 0.000) 7.674 10.920 ( -4.593 -3.594 0.000) 5.833 10.962 ( -1.928 1.126 0.000) 2.233 11.221 ( -11.585 3.889 0.000) 12.220 11.403 ( 8.425 1.316 0.000) 8.527 11.736 ( -4.844 3.751 0.000) 6.127 12.172 ( 0.975 -9.426 0.000) 9.477 12.315 ( 0.274 -8.422 0.000) 8.427 12.483 ( -1.324 -4.910 0.000) 5.085 12.519 ( -11.333 6.935 0.000) 13.287 12.565 ( 2.750 21.064 0.000) 21.243 12.927 ( -4.100 12.372 0.000) 13.034 13.108 ( 0.967 2.194 0.000) 2.397 13.445 ( -5.017 4.599 0.000) 6.806 13.559 ( 6.981 5.167 0.000) 8.685 13.604 ( 1.240 2.986 0.000) 3.233 14.525 ( 8.623 -14.439 0.000) 16.818 14.938 ( -7.079 -19.741 0.000) 20.972 15.183 ( 28.316 -15.641 0.000) 32.348 15.528 ( 9.576 -19.652 0.000) 21.860 15.995 ( -3.666 -24.048 0.000) 24.326 16.464 ( 13.430 -32.851 0.000) 35.490 16.470 ( -14.975 -12.769 0.000) 19.680 17.092 ( -5.986 -20.413 0.000) 21.273 17.499 ( 3.215 -20.120 0.000) 20.375 17.832 ( -8.183 -25.166 0.000) 26.463 17.855 ( 7.084 -25.731 0.000) 26.689 18.222 ( -4.914 -29.937 0.000) 30.338 20.428 ( -2.971 35.421 0.000) 35.545 20.531 ( 0.211 37.444 0.000) 37.445 20.539 ( -7.873 36.318 0.000) 37.161 20.551 ( -1.221 38.231 0.000) 38.251 ======================= Grid point 17 (12/56) ======================= q-point: ( 0.43 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -1.482 -6.324 0.000) 6.495 0.964 ( -6.924 -4.206 0.000) 8.101 1.653 ( -0.373 1.893 0.000) 1.929 1.677 ( -2.825 2.278 0.000) 3.629 1.843 ( 13.223 11.931 0.000) 17.810 1.966 ( 5.679 13.751 0.000) 14.877 2.036 ( -0.426 9.867 0.000) 9.876 2.155 ( -8.377 16.118 0.000) 18.165 2.282 ( 2.676 10.528 0.000) 10.863 2.353 ( -2.994 7.025 0.000) 7.636 2.504 ( 1.488 11.042 0.000) 11.142 2.570 ( -3.830 11.634 0.000) 12.249 2.897 ( 3.972 10.631 0.000) 11.349 2.959 ( 0.526 9.097 0.000) 9.112 3.067 ( -3.689 7.458 0.000) 8.320 3.099 ( -3.929 6.341 0.000) 7.460 3.324 ( 1.832 -0.107 0.000) 1.835 3.368 ( -1.724 -2.328 0.000) 2.897 3.429 ( 1.976 12.257 0.000) 12.415 3.472 ( -1.477 7.561 0.000) 7.704 3.723 ( 27.571 20.099 0.000) 34.119 3.809 ( 4.409 10.077 0.000) 11.000 3.853 ( -0.180 14.631 0.000) 14.632 4.017 ( -1.498 10.895 0.000) 10.998 4.025 ( 1.855 13.566 0.000) 13.693 4.201 ( -14.008 24.123 0.000) 27.895 4.444 ( -1.736 5.743 0.000) 6.000 4.477 ( -3.299 13.141 0.000) 13.549 4.603 ( 3.083 19.081 0.000) 19.329 4.615 ( 1.523 17.915 0.000) 17.980 4.755 ( 6.488 20.895 0.000) 21.879 4.783 ( 0.230 26.116 0.000) 26.117 5.076 ( 16.222 13.328 0.000) 20.995 5.394 ( -17.061 8.024 0.000) 18.854 5.568 ( 12.983 4.439 0.000) 13.721 5.843 ( -14.671 4.362 0.000) 15.306 6.093 ( -1.298 -2.248 0.000) 2.595 6.130 ( -5.324 -1.188 0.000) 5.455 6.532 ( 2.004 -9.829 0.000) 10.031 6.536 ( 1.007 -10.523 0.000) 10.571 7.075 ( -3.540 -8.880 0.000) 9.560 7.081 ( -4.375 -8.540 0.000) 9.595 7.472 ( 0.605 2.667 0.000) 2.735 7.499 ( -0.809 9.966 0.000) 9.999 7.783 ( 10.191 15.240 0.000) 18.333 7.917 ( -2.658 17.913 0.000) 18.109 8.064 ( 0.194 -1.803 0.000) 1.814 8.126 ( -5.836 -1.382 0.000) 5.997 8.559 ( 1.879 1.286 0.000) 2.277 8.581 ( 0.894 -0.616 0.000) 1.086 8.725 ( 4.799 -8.134 0.000) 9.444 8.768 ( 0.744 -5.206 0.000) 5.259 8.981 ( 7.424 4.564 0.000) 8.715 9.039 ( -3.095 9.436 0.000) 9.931 9.100 ( 2.050 5.477 0.000) 5.848 9.155 ( -5.362 7.028 0.000) 8.840 9.305 ( -1.402 1.401 0.000) 1.982 9.359 ( -4.866 0.916 0.000) 4.952 9.514 ( 9.715 4.217 0.000) 10.591 9.689 ( -6.276 0.296 0.000) 6.283 10.090 ( 8.454 -0.871 0.000) 8.499 10.204 ( -3.913 1.918 0.000) 4.358 10.407 ( 3.124 -1.110 0.000) 3.315 10.436 ( -1.661 0.860 0.000) 1.871 10.734 ( 1.802 -0.628 0.000) 1.909 10.790 ( -6.847 -3.467 0.000) 7.674 10.967 ( 2.957 1.482 0.000) 3.308 11.057 ( -6.306 3.085 0.000) 7.021 11.549 ( 6.796 4.099 0.000) 7.937 11.653 ( -4.590 6.031 0.000) 7.579 12.213 ( 3.708 -7.981 0.000) 8.800 12.315 ( -5.169 -18.922 0.000) 19.615 12.353 ( -0.743 16.579 0.000) 16.596 12.411 ( -4.477 2.032 0.000) 4.916 12.676 ( 7.572 16.022 0.000) 17.721 12.819 ( -7.167 14.284 0.000) 15.982 13.189 ( 6.779 3.277 0.000) 7.530 13.327 ( -7.328 3.663 0.000) 8.193 13.640 ( 1.912 5.136 0.000) 5.480 13.646 ( 1.970 6.229 0.000) 6.533 14.659 ( 6.982 -17.981 0.000) 19.289 14.798 ( -7.733 -19.126 0.000) 20.630 15.655 ( 18.001 -19.665 0.000) 26.660 15.691 ( 7.102 -20.735 0.000) 21.918 15.934 ( 0.287 -19.440 0.000) 19.442 16.164 ( -17.643 -14.574 0.000) 22.884 16.709 ( 12.645 -26.586 0.000) 29.440 16.930 ( -10.755 -22.461 0.000) 24.903 17.576 ( 5.065 -20.947 0.000) 21.550 17.688 ( -6.955 -22.407 0.000) 23.462 17.991 ( 7.201 -26.819 0.000) 27.769 18.117 ( -6.248 -28.167 0.000) 28.852 20.395 ( -0.246 35.434 0.000) 35.435 20.426 ( -3.726 36.224 0.000) 36.416 20.536 ( 0.278 37.568 0.000) 37.569 20.542 ( -0.387 37.597 0.000) 37.599 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.000 10.829 0.000) 10.829 1.452 ( 0.000 -6.587 0.000) 6.587 1.639 ( 0.000 -0.095 0.000) 0.095 1.678 ( 0.000 -7.965 0.000) 7.965 1.828 ( 0.000 21.484 0.000) 21.484 1.963 ( 0.000 3.715 0.000) 3.715 1.975 ( 0.000 7.521 0.000) 7.521 2.179 ( 0.000 6.507 0.000) 6.507 2.333 ( 0.000 6.922 0.000) 6.922 2.708 ( 0.000 11.695 0.000) 11.695 2.858 ( 0.000 7.189 0.000) 7.189 3.003 ( 0.000 12.663 0.000) 12.663 3.049 ( 0.000 0.068 0.000) 0.068 3.095 ( 0.000 7.740 0.000) 7.740 3.260 ( 0.000 0.171 0.000) 0.171 3.356 ( 0.000 14.034 0.000) 14.034 3.376 ( 0.000 2.668 0.000) 2.668 3.498 ( 0.000 11.314 0.000) 11.314 3.509 ( 0.000 -8.616 0.000) 8.616 3.625 ( 0.000 15.727 0.000) 15.727 3.627 ( 0.000 39.552 0.000) 39.552 3.629 ( 0.000 19.611 0.000) 19.611 3.669 ( 0.000 3.021 0.000) 3.021 4.129 ( 0.000 -7.520 0.000) 7.520 4.333 ( 0.000 25.864 0.000) 25.864 4.353 ( 0.000 12.963 0.000) 12.963 4.366 ( 0.000 4.133 0.000) 4.133 4.522 ( 0.000 19.040 0.000) 19.040 5.001 ( 0.000 25.543 0.000) 25.543 5.039 ( 0.000 22.807 0.000) 22.807 5.088 ( 0.000 28.424 0.000) 28.424 5.209 ( 0.000 12.622 0.000) 12.622 5.228 ( 0.000 20.510 0.000) 20.510 5.478 ( 0.000 8.492 0.000) 8.492 5.901 ( 0.000 -2.728 0.000) 2.728 6.184 ( 0.000 6.896 0.000) 6.896 6.304 ( 0.000 -2.745 0.000) 2.745 6.443 ( 0.000 -2.590 0.000) 2.590 6.491 ( 0.000 -3.326 0.000) 3.326 6.801 ( 0.000 3.063 0.000) 3.063 7.112 ( 0.000 -17.095 0.000) 17.095 7.163 ( 0.000 -8.021 0.000) 8.021 7.622 ( 0.000 -12.860 0.000) 12.860 7.691 ( 0.000 8.409 0.000) 8.409 7.712 ( 0.000 -5.455 0.000) 5.455 7.833 ( 0.000 19.631 0.000) 19.631 8.157 ( 0.000 -2.234 0.000) 2.234 8.260 ( 0.000 -1.161 0.000) 1.161 8.332 ( 0.000 0.991 0.000) 0.991 8.350 ( 0.000 1.945 0.000) 1.945 8.575 ( 0.000 -4.505 0.000) 4.505 8.658 ( 0.000 6.303 0.000) 6.303 8.706 ( 0.000 4.060 0.000) 4.060 9.072 ( 0.000 10.467 0.000) 10.467 9.280 ( 0.000 -0.831 0.000) 0.831 9.305 ( 0.000 8.105 0.000) 8.105 9.427 ( 0.000 3.711 0.000) 3.711 9.519 ( 0.000 -3.953 0.000) 3.953 9.623 ( 0.000 1.415 0.000) 1.415 9.804 ( 0.000 -2.441 0.000) 2.441 9.855 ( 0.000 12.919 0.000) 12.919 10.297 ( 0.000 20.741 0.000) 20.741 10.505 ( 0.000 2.257 0.000) 2.257 10.643 ( 0.000 2.622 0.000) 2.622 10.644 ( 0.000 -4.145 0.000) 4.145 10.934 ( 0.000 2.201 0.000) 2.201 11.096 ( 0.000 -7.562 0.000) 7.562 11.127 ( 0.000 4.720 0.000) 4.720 11.551 ( 0.000 0.211 0.000) 0.211 11.789 ( 0.000 -14.444 0.000) 14.444 11.856 ( 0.000 -8.673 0.000) 8.673 12.015 ( 0.000 -17.500 0.000) 17.500 12.477 ( 0.000 8.819 0.000) 8.819 12.920 ( 0.000 15.080 0.000) 15.080 13.087 ( 0.000 13.278 0.000) 13.278 13.176 ( 0.000 13.250 0.000) 13.250 13.246 ( 0.000 -0.448 0.000) 0.448 13.389 ( 0.000 7.735 0.000) 7.735 13.604 ( 0.000 -1.514 0.000) 1.514 13.714 ( 0.000 12.048 0.000) 12.048 14.331 ( 0.000 13.924 0.000) 13.924 14.421 ( 0.000 -8.435 0.000) 8.435 14.777 ( 0.000 -23.119 0.000) 23.119 14.893 ( 0.000 -6.694 0.000) 6.694 15.245 ( 0.000 -40.081 0.000) 40.081 15.566 ( 0.000 -27.378 0.000) 27.378 16.612 ( 0.000 -20.796 0.000) 20.796 16.668 ( 0.000 -12.691 0.000) 12.691 17.008 ( 0.000 -24.504 0.000) 24.504 17.200 ( 0.000 -25.251 0.000) 25.251 17.408 ( 0.000 -30.124 0.000) 30.124 17.674 ( 0.000 -31.440 0.000) 31.440 21.221 ( 0.000 33.563 0.000) 33.563 21.241 ( 0.000 34.088 0.000) 34.088 21.274 ( 0.000 33.911 0.000) 33.911 21.414 ( 0.000 26.943 0.000) 26.943 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.14 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -12.572 1.598 0.000) 12.673 1.474 ( -16.974 -4.212 0.000) 17.488 1.654 ( 15.403 2.124 0.000) 15.549 1.803 ( 13.693 3.255 0.000) 14.075 1.827 ( -1.106 10.333 0.000) 10.392 1.924 ( -1.664 1.070 0.000) 1.978 1.997 ( 0.944 16.402 0.000) 16.429 2.220 ( 4.166 8.350 0.000) 9.332 2.375 ( 3.676 8.699 0.000) 9.444 2.681 ( -2.176 10.912 0.000) 11.127 2.899 ( 1.320 7.583 0.000) 7.697 2.959 ( -1.924 11.303 0.000) 11.465 2.975 ( -9.158 8.475 0.000) 12.478 2.993 ( -3.105 2.105 0.000) 3.751 3.277 ( 0.375 1.195 0.000) 1.252 3.365 ( -1.299 9.597 0.000) 9.685 3.452 ( -4.041 -4.440 0.000) 6.004 3.467 ( 3.908 2.981 0.000) 4.916 3.543 ( 2.565 4.804 0.000) 5.446 3.577 ( 0.457 22.162 0.000) 22.167 3.638 ( 1.132 15.842 0.000) 15.883 3.705 ( 7.460 13.532 0.000) 15.452 3.859 ( 15.781 21.366 0.000) 26.562 4.202 ( 6.692 -3.807 0.000) 7.699 4.336 ( 0.491 22.256 0.000) 22.262 4.356 ( 0.992 12.959 0.000) 12.997 4.426 ( 6.845 8.146 0.000) 10.640 4.550 ( 2.864 18.681 0.000) 18.899 4.977 ( -3.234 21.588 0.000) 21.829 5.032 ( 1.306 22.827 0.000) 22.865 5.136 ( 3.620 26.728 0.000) 26.972 5.183 ( -2.499 14.264 0.000) 14.482 5.246 ( 1.216 19.787 0.000) 19.824 5.479 ( 0.902 8.938 0.000) 8.983 5.895 ( -1.125 -1.367 0.000) 1.771 6.138 ( -3.954 5.654 0.000) 6.900 6.303 ( -0.024 -4.568 0.000) 4.568 6.358 ( -8.534 -1.777 0.000) 8.717 6.471 ( -2.512 0.667 0.000) 2.599 6.699 ( -10.100 4.670 0.000) 11.128 7.057 ( -5.146 -17.962 0.000) 18.685 7.072 ( -8.452 -10.383 0.000) 13.388 7.551 ( -5.405 -10.192 0.000) 11.537 7.697 ( -0.394 6.185 0.000) 6.197 7.852 ( 1.993 17.567 0.000) 17.679 7.854 ( 11.567 -4.153 0.000) 12.290 8.116 ( -1.980 -0.111 0.000) 1.983 8.210 ( -3.596 -0.495 0.000) 3.630 8.356 ( 4.169 2.780 0.000) 5.011 8.471 ( 8.265 0.208 0.000) 8.268 8.555 ( -0.660 0.150 0.000) 0.677 8.675 ( 0.892 2.074 0.000) 2.258 8.770 ( 6.487 5.111 0.000) 8.258 9.097 ( 2.601 9.473 0.000) 9.823 9.314 ( 1.392 -2.362 0.000) 2.741 9.320 ( 2.005 6.683 0.000) 6.977 9.477 ( 3.933 2.065 0.000) 4.442 9.481 ( -3.490 -2.551 0.000) 4.323 9.648 ( 1.629 6.280 0.000) 6.488 9.832 ( -0.382 10.754 0.000) 10.761 9.853 ( 4.540 -2.026 0.000) 4.972 10.158 ( -12.430 17.723 0.000) 21.648 10.517 ( 0.995 1.242 0.000) 1.591 10.644 ( 0.257 2.862 0.000) 2.873 10.648 ( -0.821 -0.907 0.000) 1.223 10.936 ( -0.635 1.570 0.000) 1.694 11.064 ( -2.503 1.415 0.000) 2.876 11.194 ( 6.411 -4.603 0.000) 7.893 11.472 ( -8.745 0.374 0.000) 8.753 11.729 ( -4.911 -11.358 0.000) 12.374 11.838 ( -1.478 -15.019 0.000) 15.092 11.993 ( -2.276 -18.478 0.000) 18.618 12.529 ( 4.697 9.828 0.000) 10.893 12.942 ( 2.181 17.016 0.000) 17.155 12.980 ( -8.052 14.284 0.000) 16.397 13.183 ( -3.599 1.743 0.000) 3.999 13.227 ( 2.058 12.968 0.000) 13.130 13.497 ( 9.030 6.536 0.000) 11.147 13.584 ( -1.728 -0.183 0.000) 1.737 13.702 ( -1.062 11.211 0.000) 11.262 14.331 ( 0.508 2.246 0.000) 2.303 14.589 ( 16.103 -2.313 0.000) 16.268 14.711 ( -4.716 -16.428 0.000) 17.091 14.998 ( 8.370 -12.701 0.000) 15.211 15.355 ( 9.450 -37.693 0.000) 38.860 15.595 ( 4.231 -28.125 0.000) 28.441 16.430 ( -12.534 -16.105 0.000) 20.407 16.741 ( 0.239 -19.043 0.000) 19.045 17.015 ( 1.531 -23.543 0.000) 23.593 17.235 ( 3.539 -25.816 0.000) 26.057 17.376 ( -3.343 -29.243 0.000) 29.434 17.656 ( -1.875 -31.382 0.000) 31.438 21.194 ( -2.493 34.046 0.000) 34.137 21.246 ( 0.304 34.140 0.000) 34.142 21.271 ( -0.428 33.861 0.000) 33.864 21.359 ( -5.180 29.265 0.000) 29.720 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.29 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -11.606 -1.794 0.000) 11.744 1.148 ( -16.567 -2.188 0.000) 16.710 1.751 ( -4.331 2.461 0.000) 4.981 1.763 ( -4.783 -0.524 0.000) 4.812 2.028 ( 15.649 5.402 0.000) 16.555 2.058 ( 5.817 24.973 0.000) 25.642 2.129 ( 13.990 8.959 0.000) 16.613 2.326 ( 6.938 7.404 0.000) 10.147 2.434 ( 2.452 9.751 0.000) 10.055 2.619 ( -4.955 14.287 0.000) 15.122 2.816 ( -7.205 9.182 0.000) 11.671 2.853 ( -3.429 9.175 0.000) 9.794 2.984 ( 2.046 1.738 0.000) 2.685 2.985 ( 1.758 4.674 0.000) 4.994 3.232 ( -5.520 -1.622 0.000) 5.753 3.284 ( -6.010 3.137 0.000) 6.779 3.389 ( -2.790 0.663 0.000) 2.868 3.440 ( -3.780 9.781 0.000) 10.486 3.579 ( 1.523 4.680 0.000) 4.922 3.652 ( 0.038 8.182 0.000) 8.182 3.711 ( 12.448 13.759 0.000) 18.554 3.883 ( 10.709 15.538 0.000) 18.871 4.159 ( 13.277 22.611 0.000) 26.221 4.250 ( -2.304 5.411 0.000) 5.882 4.337 ( -0.400 21.750 0.000) 21.754 4.479 ( 11.209 9.140 0.000) 14.463 4.618 ( 3.902 16.653 0.000) 17.104 4.623 ( 13.133 6.610 0.000) 14.703 4.910 ( -3.686 17.943 0.000) 18.318 5.077 ( 3.850 20.881 0.000) 21.233 5.096 ( -7.121 16.134 0.000) 17.636 5.227 ( 6.886 21.782 0.000) 22.845 5.272 ( 1.556 21.998 0.000) 22.053 5.542 ( 6.048 9.370 0.000) 11.153 5.819 ( -7.915 5.924 0.000) 9.886 6.086 ( -1.486 1.335 0.000) 1.998 6.153 ( -12.334 -2.007 0.000) 12.496 6.279 ( -4.615 -5.338 0.000) 7.057 6.399 ( -3.537 4.997 0.000) 6.122 6.493 ( -9.923 3.694 0.000) 10.588 6.920 ( -6.249 -14.126 0.000) 15.446 6.941 ( -6.546 -15.924 0.000) 17.216 7.432 ( -6.488 -7.932 0.000) 10.247 7.618 ( -8.064 -4.193 0.000) 9.089 7.933 ( 6.894 17.089 0.000) 18.428 8.076 ( 10.836 0.909 0.000) 10.875 8.140 ( 4.279 6.443 0.000) 7.734 8.173 ( -0.506 0.117 0.000) 0.519 8.463 ( 6.694 -0.927 0.000) 6.758 8.576 ( 2.789 3.854 0.000) 4.757 8.591 ( 3.934 4.091 0.000) 5.676 8.687 ( 0.540 -1.257 0.000) 1.368 8.918 ( 8.569 5.349 0.000) 10.102 9.167 ( 4.755 7.694 0.000) 9.045 9.269 ( -5.366 -2.894 0.000) 6.097 9.374 ( -0.626 0.024 0.000) 0.627 9.430 ( 2.900 3.501 0.000) 4.546 9.511 ( -3.848 6.656 0.000) 7.688 9.616 ( -4.939 13.380 0.000) 14.262 9.752 ( -9.109 10.357 0.000) 13.793 9.952 ( 6.112 -0.171 0.000) 6.115 10.113 ( 11.054 1.458 0.000) 11.150 10.509 ( -2.318 0.911 0.000) 2.490 10.550 ( -10.325 3.239 0.000) 10.821 10.676 ( 3.168 0.482 0.000) 3.204 10.876 ( -6.167 -0.543 0.000) 6.191 11.016 ( -2.140 3.307 0.000) 3.939 11.270 ( -10.517 1.550 0.000) 10.631 11.350 ( 9.521 -6.597 0.000) 11.583 11.667 ( -1.918 -9.695 0.000) 9.883 11.805 ( -1.617 -20.595 0.000) 20.658 11.933 ( -3.994 -20.860 0.000) 21.239 12.615 ( 3.928 11.434 0.000) 12.090 12.830 ( -7.398 16.193 0.000) 17.803 12.989 ( 2.181 18.255 0.000) 18.385 13.175 ( 3.784 5.863 0.000) 6.978 13.216 ( -3.199 10.780 0.000) 11.245 13.544 ( -3.090 7.417 0.000) 8.035 13.677 ( 8.884 6.835 0.000) 11.209 13.697 ( 1.309 7.230 0.000) 7.347 14.345 ( 1.146 -4.655 0.000) 4.794 14.617 ( -5.545 -12.610 0.000) 13.776 14.964 ( 22.369 -6.405 0.000) 23.267 15.162 ( 8.582 -15.300 0.000) 17.543 15.466 ( 2.047 -27.822 0.000) 27.898 15.797 ( 16.601 -32.700 0.000) 36.673 16.171 ( -15.260 -14.964 0.000) 21.372 16.653 ( -8.892 -23.382 0.000) 25.016 17.061 ( 2.787 -22.719 0.000) 22.889 17.293 ( -5.235 -27.436 0.000) 27.931 17.324 ( 5.674 -27.121 0.000) 27.709 17.606 ( -3.436 -30.957 0.000) 31.147 21.144 ( -2.456 35.001 0.000) 35.087 21.233 ( -4.966 33.026 0.000) 33.397 21.252 ( 0.333 34.230 0.000) 34.231 21.277 ( -1.429 33.950 0.000) 33.980 ======================= Grid point 24 (16/56) ======================= q-point: ( 0.43 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -1.995 -3.271 0.000) 3.831 0.896 ( -9.586 -2.370 0.000) 9.875 1.685 ( -1.847 0.966 0.000) 2.085 1.691 ( -2.386 -0.104 0.000) 2.388 2.182 ( 6.274 19.399 0.000) 20.389 2.227 ( 3.577 12.603 0.000) 13.101 2.333 ( 8.886 16.708 0.000) 18.924 2.450 ( 5.013 4.211 0.000) 6.547 2.462 ( -1.274 10.278 0.000) 10.357 2.506 ( -5.349 14.979 0.000) 15.905 2.733 ( -0.661 11.287 0.000) 11.307 2.783 ( -4.204 10.152 0.000) 10.988 3.012 ( 2.054 0.418 0.000) 2.096 3.048 ( 2.916 -1.148 0.000) 3.134 3.113 ( -4.351 0.497 0.000) 4.380 3.172 ( -5.786 1.150 0.000) 5.899 3.359 ( -0.210 4.743 0.000) 4.747 3.380 ( -2.328 8.217 0.000) 8.541 3.606 ( 1.637 3.333 0.000) 3.713 3.638 ( -1.488 4.342 0.000) 4.590 3.984 ( 14.150 7.354 0.000) 15.947 4.074 ( 9.150 17.378 0.000) 19.640 4.171 ( -6.041 5.294 0.000) 8.032 4.216 ( -5.259 19.352 0.000) 20.054 4.427 ( 9.870 24.242 0.000) 26.174 4.609 ( -5.058 16.621 0.000) 17.374 4.674 ( 6.006 14.581 0.000) 15.769 4.770 ( -2.153 13.321 0.000) 13.494 4.908 ( 5.334 12.464 0.000) 13.558 4.973 ( -3.601 15.597 0.000) 16.007 5.188 ( 8.174 19.242 0.000) 20.906 5.290 ( -0.846 22.744 0.000) 22.759 5.398 ( 10.392 17.673 0.000) 20.502 5.613 ( -12.877 13.850 0.000) 18.912 5.694 ( 10.025 7.661 0.000) 12.617 5.909 ( -12.539 1.149 0.000) 12.592 6.071 ( -0.694 -1.494 0.000) 1.648 6.131 ( -7.731 -0.374 0.000) 7.740 6.377 ( -0.133 -3.046 0.000) 3.049 6.384 ( -1.834 -2.176 0.000) 2.846 6.849 ( -1.916 -12.156 0.000) 12.306 6.850 ( -2.521 -12.140 0.000) 12.399 7.363 ( 0.334 -9.898 0.000) 9.904 7.451 ( -8.194 -10.027 0.000) 12.949 8.074 ( 6.943 12.761 0.000) 14.528 8.159 ( -2.033 4.711 0.000) 5.131 8.220 ( 4.099 6.342 0.000) 7.551 8.225 ( 3.238 8.494 0.000) 9.090 8.590 ( 6.504 -2.170 0.000) 6.857 8.628 ( 1.560 5.981 0.000) 6.181 8.630 ( 1.105 6.197 0.000) 6.295 8.683 ( -2.053 -3.280 0.000) 3.870 9.070 ( 6.970 3.506 0.000) 7.802 9.164 ( -4.822 1.566 0.000) 5.070 9.255 ( 3.569 9.728 0.000) 10.362 9.325 ( 0.721 1.251 0.000) 1.444 9.351 ( -9.091 12.790 0.000) 15.692 9.444 ( -9.379 8.298 0.000) 12.523 9.569 ( 8.346 2.064 0.000) 8.598 9.687 ( -3.316 -0.012 0.000) 3.316 10.095 ( 9.202 1.239 0.000) 9.285 10.270 ( -6.063 4.180 0.000) 7.364 10.387 ( 3.523 -0.699 0.000) 3.591 10.459 ( -2.376 1.223 0.000) 2.672 10.710 ( -0.306 -1.546 0.000) 1.576 10.742 ( -5.928 -1.247 0.000) 6.058 11.016 ( 2.905 2.842 0.000) 4.064 11.112 ( -6.783 2.316 0.000) 7.167 11.516 ( 7.601 -6.605 0.000) 10.070 11.622 ( -3.746 -6.831 0.000) 7.791 11.802 ( 1.548 -23.835 0.000) 23.885 11.856 ( -3.905 -22.977 0.000) 23.306 12.670 ( 2.241 14.467 0.000) 14.640 12.722 ( -4.029 16.727 0.000) 17.205 13.037 ( 3.810 13.063 0.000) 13.607 13.129 ( -5.463 9.933 0.000) 11.336 13.303 ( 8.455 11.644 0.000) 14.390 13.451 ( -6.821 12.448 0.000) 14.194 13.752 ( 3.584 6.118 0.000) 7.091 13.781 ( 1.630 7.307 0.000) 7.486 14.393 ( 4.458 -8.429 0.000) 9.535 14.502 ( -6.557 -10.238 0.000) 12.158 15.297 ( 5.435 -17.258 0.000) 18.094 15.311 ( 8.618 -14.704 0.000) 17.043 15.536 ( 11.329 -18.478 0.000) 21.674 15.858 ( -18.311 -14.396 0.000) 23.293 16.129 ( 17.694 -30.443 0.000) 35.212 16.432 ( -14.451 -26.748 0.000) 30.402 17.117 ( 3.413 -24.083 0.000) 24.323 17.195 ( -4.942 -25.746 0.000) 26.216 17.433 ( 5.696 -28.568 0.000) 29.131 17.530 ( -4.680 -29.956 0.000) 30.319 21.118 ( -0.047 35.524 0.000) 35.524 21.148 ( -3.326 34.970 0.000) 35.128 21.258 ( 0.353 34.280 0.000) 34.281 21.265 ( -0.414 34.275 0.000) 34.277 ======================= Grid point 28 (17/56) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 -7.321 0.000) 7.321 1.458 ( 0.000 -1.047 0.000) 1.047 1.497 ( 0.000 -9.663 0.000) 9.663 1.633 ( 0.000 -0.395 0.000) 0.395 1.813 ( 0.000 -8.397 0.000) 8.397 1.966 ( 0.000 -2.698 0.000) 2.698 2.419 ( 0.000 15.600 0.000) 15.600 2.448 ( 0.000 23.638 0.000) 23.638 2.450 ( 0.000 4.957 0.000) 4.957 2.900 ( 0.000 9.276 0.000) 9.276 2.979 ( 0.000 4.653 0.000) 4.653 3.030 ( 0.000 -0.803 0.000) 0.803 3.255 ( 0.000 5.901 0.000) 5.901 3.264 ( 0.000 7.920 0.000) 7.920 3.282 ( 0.000 2.583 0.000) 2.583 3.368 ( 0.000 1.543 0.000) 1.543 3.439 ( 0.000 3.033 0.000) 3.033 3.527 ( 0.000 5.057 0.000) 5.057 3.635 ( 0.000 6.227 0.000) 6.227 3.738 ( 0.000 3.949 0.000) 3.949 3.956 ( 0.000 7.400 0.000) 7.400 4.002 ( 0.000 16.949 0.000) 16.949 4.053 ( 0.000 8.806 0.000) 8.806 4.231 ( 0.000 6.622 0.000) 6.622 4.516 ( 0.000 21.401 0.000) 21.401 4.542 ( 0.000 6.160 0.000) 6.160 4.756 ( 0.000 3.646 0.000) 3.646 4.794 ( 0.000 19.909 0.000) 19.909 5.333 ( 0.000 -0.900 0.000) 0.900 5.432 ( 0.000 17.104 0.000) 17.104 5.436 ( 0.000 16.194 0.000) 16.194 5.544 ( 0.000 7.400 0.000) 7.400 5.585 ( 0.000 21.148 0.000) 21.148 5.638 ( 0.000 7.142 0.000) 7.142 5.882 ( 0.000 3.124 0.000) 3.124 6.222 ( 0.000 -5.383 0.000) 5.383 6.239 ( 0.000 -0.003 0.000) 0.003 6.385 ( 0.000 -6.542 0.000) 6.542 6.490 ( 0.000 6.160 0.000) 6.160 6.705 ( 0.000 -11.417 0.000) 11.417 7.003 ( 0.000 5.736 0.000) 5.736 7.103 ( 0.000 0.838 0.000) 0.838 7.365 ( 0.000 -11.948 0.000) 11.948 7.612 ( 0.000 -3.631 0.000) 3.631 7.691 ( 0.000 -8.189 0.000) 8.189 8.034 ( 0.000 -3.097 0.000) 3.097 8.158 ( 0.000 -7.846 0.000) 7.846 8.171 ( 0.000 12.873 0.000) 12.873 8.403 ( 0.000 3.956 0.000) 3.956 8.462 ( 0.000 -6.377 0.000) 6.377 8.530 ( 0.000 12.270 0.000) 12.270 8.671 ( 0.000 -4.905 0.000) 4.905 8.811 ( 0.000 6.407 0.000) 6.407 9.221 ( 0.000 2.466 0.000) 2.466 9.294 ( 0.000 2.709 0.000) 2.709 9.463 ( 0.000 1.217 0.000) 1.217 9.481 ( 0.000 8.950 0.000) 8.950 9.487 ( 0.000 2.592 0.000) 2.592 9.726 ( 0.000 7.890 0.000) 7.890 9.812 ( 0.000 3.278 0.000) 3.278 10.049 ( 0.000 7.636 0.000) 7.636 10.512 ( 0.000 -9.065 0.000) 9.065 10.526 ( 0.000 0.634 0.000) 0.634 10.620 ( 0.000 10.930 0.000) 10.930 10.624 ( 0.000 -5.414 0.000) 5.414 10.929 ( 0.000 -7.801 0.000) 7.801 11.026 ( 0.000 5.418 0.000) 5.418 11.189 ( 0.000 0.774 0.000) 0.774 11.450 ( 0.000 -15.026 0.000) 15.026 11.564 ( 0.000 1.216 0.000) 1.216 11.695 ( 0.000 -14.233 0.000) 14.233 11.769 ( 0.000 -3.577 0.000) 3.577 12.709 ( 0.000 12.590 0.000) 12.590 13.151 ( 0.000 7.654 0.000) 7.654 13.264 ( 0.000 2.976 0.000) 2.976 13.290 ( 0.000 -3.134 0.000) 3.134 13.306 ( 0.000 7.269 0.000) 7.269 13.564 ( 0.000 8.859 0.000) 8.859 13.663 ( 0.000 8.647 0.000) 8.647 13.968 ( 0.000 10.439 0.000) 10.439 14.337 ( 0.000 -1.394 0.000) 1.394 14.384 ( 0.000 -12.076 0.000) 12.076 14.522 ( 0.000 3.650 0.000) 3.650 14.548 ( 0.000 -27.174 0.000) 27.174 14.879 ( 0.000 3.894 0.000) 3.894 15.061 ( 0.000 -20.909 0.000) 20.909 16.272 ( 0.000 -13.284 0.000) 13.284 16.397 ( 0.000 -14.817 0.000) 14.817 16.541 ( 0.000 -20.343 0.000) 20.343 16.717 ( 0.000 -22.482 0.000) 22.482 16.867 ( 0.000 -23.731 0.000) 23.731 17.096 ( 0.000 -26.184 0.000) 26.184 21.826 ( 0.000 26.797 0.000) 26.797 21.855 ( 0.000 27.124 0.000) 27.124 21.884 ( 0.000 26.876 0.000) 26.876 21.916 ( 0.000 23.118 0.000) 23.118 ======================= Grid point 29 (18/56) ======================= q-point: ( 0.14 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -11.876 -2.643 0.000) 12.167 1.362 ( -12.488 -6.438 0.000) 14.049 1.649 ( 16.420 -2.808 0.000) 16.659 1.780 ( -3.547 -7.630 0.000) 8.414 1.816 ( 14.420 -2.035 0.000) 14.563 1.930 ( 0.145 -1.058 0.000) 1.068 2.468 ( 4.750 15.454 0.000) 16.167 2.478 ( 2.439 20.955 0.000) 21.096 2.506 ( 4.879 5.292 0.000) 7.197 2.862 ( -2.390 9.172 0.000) 9.478 3.010 ( 1.547 4.143 0.000) 4.422 3.024 ( -0.387 1.189 0.000) 1.251 3.138 ( -8.461 7.507 0.000) 11.311 3.208 ( -4.296 8.541 0.000) 9.560 3.315 ( 0.711 4.380 0.000) 4.437 3.323 ( -4.117 -0.022 0.000) 4.117 3.521 ( -0.932 4.720 0.000) 4.811 3.538 ( 6.330 3.732 0.000) 7.348 3.641 ( 0.936 4.149 0.000) 4.253 3.752 ( 1.894 4.738 0.000) 5.102 3.838 ( -6.318 5.735 0.000) 8.533 4.074 ( 6.336 18.782 0.000) 19.822 4.211 ( 10.397 5.642 0.000) 11.830 4.289 ( 6.647 3.207 0.000) 7.380 4.560 ( 2.683 7.524 0.000) 7.988 4.586 ( 6.872 21.905 0.000) 22.958 4.781 ( 2.303 3.881 0.000) 4.512 4.812 ( 1.535 19.424 0.000) 19.485 5.336 ( -7.436 13.793 0.000) 15.670 5.336 ( -0.053 0.472 0.000) 0.475 5.413 ( -1.870 14.451 0.000) 14.571 5.560 ( 1.978 7.258 0.000) 7.523 5.588 ( -1.158 17.776 0.000) 17.814 5.657 ( 2.160 8.520 0.000) 8.790 5.861 ( -2.410 1.153 0.000) 2.672 6.179 ( -5.475 -0.113 0.000) 5.476 6.211 ( -0.803 -4.167 0.000) 4.244 6.426 ( -6.804 6.908 0.000) 9.696 6.438 ( 5.012 -3.638 0.000) 6.193 6.703 ( -0.578 -9.827 0.000) 9.844 6.885 ( -11.050 6.904 0.000) 13.029 6.977 ( -12.410 0.668 0.000) 12.428 7.332 ( -2.446 -10.557 0.000) 10.837 7.633 ( -6.626 -9.738 0.000) 11.779 7.779 ( 14.795 -2.778 0.000) 15.054 8.060 ( 3.522 0.686 0.000) 3.588 8.142 ( -1.037 -5.450 0.000) 5.548 8.179 ( 1.100 10.689 0.000) 10.746 8.474 ( 1.572 -6.307 0.000) 6.500 8.487 ( 5.441 3.370 0.000) 6.400 8.566 ( 5.671 11.592 0.000) 12.905 8.678 ( 0.783 -3.404 0.000) 3.493 8.881 ( 6.682 6.027 0.000) 8.998 9.230 ( 0.999 2.319 0.000) 2.525 9.307 ( -0.692 1.603 0.000) 1.746 9.443 ( -1.793 3.876 0.000) 4.270 9.491 ( 1.126 6.664 0.000) 6.759 9.508 ( 2.735 1.470 0.000) 3.105 9.788 ( 5.874 7.910 0.000) 9.853 9.859 ( 4.787 3.048 0.000) 5.675 9.985 ( -4.106 5.545 0.000) 6.900 10.475 ( -13.599 11.645 0.000) 17.903 10.523 ( -0.017 -0.243 0.000) 0.243 10.597 ( 5.246 -3.898 0.000) 6.536 10.652 ( 1.432 -2.566 0.000) 2.938 10.958 ( 4.126 -9.563 0.000) 10.416 11.008 ( -2.775 4.227 0.000) 5.057 11.164 ( -2.484 -0.446 0.000) 2.524 11.417 ( -3.494 -14.610 0.000) 15.022 11.472 ( -9.133 -0.309 0.000) 9.138 11.659 ( -9.147 -6.329 0.000) 11.123 11.666 ( -3.029 -13.882 0.000) 14.209 12.745 ( 2.629 9.643 0.000) 9.994 13.182 ( 0.666 4.634 0.000) 4.682 13.195 ( -6.491 4.654 0.000) 7.987 13.268 ( 4.244 9.548 0.000) 10.448 13.303 ( -3.508 -3.369 0.000) 4.863 13.660 ( 8.727 8.988 0.000) 12.528 13.692 ( 3.546 10.291 0.000) 10.885 13.962 ( -0.923 12.527 0.000) 12.561 14.353 ( -0.141 3.115 0.000) 3.118 14.404 ( 1.666 -10.466 0.000) 10.598 14.593 ( 11.167 -7.930 0.000) 13.697 14.699 ( 12.699 -20.982 0.000) 24.525 14.911 ( 3.327 2.258 0.000) 4.021 15.090 ( 3.378 -20.434 0.000) 20.711 16.154 ( -10.164 -10.986 0.000) 14.967 16.360 ( -5.614 -19.330 0.000) 20.129 16.582 ( 3.537 -18.716 0.000) 19.047 16.741 ( 2.448 -23.031 0.000) 23.161 16.845 ( -2.300 -23.477 0.000) 23.589 17.076 ( -2.095 -26.438 0.000) 26.521 21.809 ( -1.524 27.315 0.000) 27.357 21.860 ( 0.342 27.066 0.000) 27.068 21.876 ( -1.263 26.233 0.000) 26.263 21.898 ( -1.348 24.822 0.000) 24.859 ======================= Grid point 30 (19/56) ======================= q-point: ( 0.29 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -11.578 0.355 0.000) 11.583 1.103 ( -13.984 -2.040 0.000) 14.132 1.702 ( -4.028 -5.946 0.000) 7.182 1.753 ( -4.873 -2.542 0.000) 5.496 2.050 ( 18.525 -1.472 0.000) 18.583 2.237 ( 20.853 0.058 0.000) 20.853 2.515 ( 1.301 16.981 0.000) 17.031 2.572 ( 5.717 15.471 0.000) 16.494 2.584 ( 2.693 4.799 0.000) 5.503 2.825 ( -2.017 8.056 0.000) 8.304 2.976 ( -6.973 7.506 0.000) 10.245 3.009 ( -1.678 6.438 0.000) 6.653 3.034 ( 0.312 3.797 0.000) 3.809 3.128 ( -3.454 10.267 0.000) 10.833 3.238 ( -4.717 -0.959 0.000) 4.813 3.291 ( -3.641 7.620 0.000) 8.446 3.499 ( -0.840 5.354 0.000) 5.420 3.592 ( 0.807 4.498 0.000) 4.570 3.653 ( -1.420 4.899 0.000) 5.101 3.744 ( -4.025 4.204 0.000) 5.820 3.857 ( 9.937 3.364 0.000) 10.491 4.217 ( 7.597 13.950 0.000) 15.884 4.329 ( 1.880 5.313 0.000) 5.636 4.462 ( 9.552 -0.119 0.000) 9.553 4.696 ( 11.965 10.401 0.000) 15.854 4.735 ( 7.914 20.729 0.000) 22.189 4.824 ( 1.960 3.868 0.000) 4.336 4.839 ( 1.775 14.608 0.000) 14.715 5.210 ( -5.657 11.368 0.000) 12.698 5.304 ( -4.253 3.685 0.000) 5.627 5.405 ( 2.165 12.381 0.000) 12.569 5.569 ( 0.593 10.983 0.000) 10.999 5.630 ( 5.018 10.504 0.000) 11.642 5.723 ( 4.671 7.387 0.000) 8.740 5.791 ( -4.259 -5.622 0.000) 7.053 6.072 ( -5.667 -0.914 0.000) 5.741 6.191 ( -1.272 -0.723 0.000) 1.463 6.245 ( -12.009 9.624 0.000) 15.389 6.537 ( 3.779 4.130 0.000) 5.598 6.657 ( -11.955 9.839 0.000) 15.483 6.685 ( -0.986 -7.317 0.000) 7.383 6.710 ( -13.423 -3.084 0.000) 13.773 7.259 ( -5.609 -8.489 0.000) 10.174 7.453 ( -11.858 -10.222 0.000) 15.656 8.069 ( 14.035 -0.642 0.000) 14.049 8.155 ( 2.999 -1.280 0.000) 3.260 8.162 ( 6.608 0.963 0.000) 6.678 8.217 ( 2.604 8.438 0.000) 8.830 8.532 ( 4.716 -6.066 0.000) 7.684 8.558 ( 3.923 5.833 0.000) 7.029 8.702 ( 1.977 0.114 0.000) 1.980 8.722 ( 7.551 8.441 0.000) 11.326 9.015 ( 6.766 4.531 0.000) 8.143 9.253 ( -4.151 1.162 0.000) 4.310 9.263 ( 2.869 0.993 0.000) 3.036 9.417 ( -0.326 5.552 0.000) 5.562 9.537 ( 4.182 6.783 0.000) 7.969 9.539 ( -0.878 -1.861 0.000) 2.057 9.815 ( -3.574 9.560 0.000) 10.206 9.977 ( 7.618 3.397 0.000) 8.341 10.019 ( -1.749 9.064 0.000) 9.231 10.191 ( -5.785 8.308 0.000) 10.124 10.517 ( -1.238 -0.103 0.000) 1.243 10.614 ( -6.154 2.588 0.000) 6.675 10.659 ( 0.400 -2.329 0.000) 2.363 10.892 ( -9.280 1.509 0.000) 9.402 11.061 ( 1.487 0.429 0.000) 1.548 11.140 ( 4.679 -13.572 0.000) 14.356 11.267 ( -9.465 -5.493 0.000) 10.944 11.367 ( -1.754 -12.808 0.000) 12.928 11.521 ( -5.157 -9.602 0.000) 10.900 11.590 ( -4.871 -12.863 0.000) 13.755 12.790 ( 2.663 4.647 0.000) 5.356 13.070 ( -6.682 6.681 0.000) 9.450 13.150 ( -2.701 1.155 0.000) 2.938 13.204 ( -5.801 -8.055 0.000) 9.926 13.441 ( 11.937 16.921 0.000) 20.708 13.787 ( 6.111 11.612 0.000) 13.122 13.838 ( 9.038 9.107 0.000) 12.831 13.923 ( -3.452 15.590 0.000) 15.967 14.333 ( -1.327 3.840 0.000) 4.063 14.420 ( -0.470 -6.318 0.000) 6.335 14.883 ( 16.945 -7.124 0.000) 18.382 14.956 ( 13.045 -19.100 0.000) 23.130 14.991 ( 4.675 -1.553 0.000) 4.926 15.225 ( 12.884 -22.695 0.000) 26.097 15.928 ( -13.899 -9.017 0.000) 16.567 16.192 ( -12.117 -21.975 0.000) 25.094 16.630 ( 1.421 -20.068 0.000) 20.118 16.784 ( -4.102 -23.036 0.000) 23.398 16.806 ( 4.239 -24.172 0.000) 24.541 17.025 ( -3.207 -26.827 0.000) 27.018 21.779 ( -1.470 28.263 0.000) 28.301 21.830 ( -3.007 26.561 0.000) 26.731 21.866 ( 0.359 27.044 0.000) 27.046 21.885 ( -0.357 26.733 0.000) 26.735 ======================= Grid point 31 (20/56) ======================= q-point: ( 0.43 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -1.584 1.875 0.000) 2.455 0.880 ( -8.965 1.020 0.000) 9.022 1.652 ( -1.003 -4.415 0.000) 4.528 1.671 ( -3.037 -2.909 0.000) 4.205 2.348 ( 12.366 -0.398 0.000) 12.372 2.502 ( -4.018 6.861 0.000) 7.951 2.570 ( 13.665 2.928 0.000) 13.975 2.617 ( 2.028 7.760 0.000) 8.020 2.649 ( 1.422 14.689 0.000) 14.757 2.757 ( -6.070 8.297 0.000) 10.280 2.891 ( -0.440 7.000 0.000) 7.014 2.950 ( -4.508 7.537 0.000) 8.783 3.063 ( 2.491 5.233 0.000) 5.795 3.100 ( -0.165 11.747 0.000) 11.748 3.160 ( -2.504 0.739 0.000) 2.610 3.200 ( -5.011 9.218 0.000) 10.492 3.511 ( 2.373 7.007 0.000) 7.398 3.575 ( -3.550 9.704 0.000) 10.333 3.633 ( 1.352 0.542 0.000) 1.457 3.679 ( -3.098 2.824 0.000) 4.192 4.070 ( 11.230 1.951 0.000) 11.398 4.233 ( -5.637 1.468 0.000) 5.825 4.419 ( 7.696 15.078 0.000) 16.928 4.531 ( -2.756 10.166 0.000) 10.533 4.836 ( 2.469 12.445 0.000) 12.688 4.848 ( 0.632 4.283 0.000) 4.330 4.924 ( 9.822 12.101 0.000) 15.585 4.933 ( 7.693 6.337 0.000) 9.967 5.126 ( -3.525 8.572 0.000) 9.269 5.175 ( -8.415 3.931 0.000) 9.288 5.494 ( 6.534 11.525 0.000) 13.248 5.623 ( -6.215 9.166 0.000) 11.074 5.662 ( 10.052 6.405 0.000) 11.919 5.802 ( 3.443 -1.957 0.000) 3.961 5.810 ( 3.875 2.223 0.000) 4.468 5.915 ( -12.514 0.972 0.000) 12.552 6.077 ( -1.772 10.042 0.000) 10.197 6.147 ( -4.741 6.648 0.000) 8.166 6.448 ( -5.380 6.845 0.000) 8.706 6.474 ( -6.738 8.341 0.000) 10.722 6.665 ( 2.810 -4.343 0.000) 5.173 6.683 ( 0.403 -3.220 0.000) 3.246 7.167 ( -2.062 -8.972 0.000) 9.206 7.239 ( -9.362 -10.185 0.000) 13.834 8.214 ( 3.759 1.880 0.000) 4.203 8.249 ( 0.282 4.870 0.000) 4.878 8.264 ( 4.709 -0.057 0.000) 4.710 8.268 ( 3.535 -0.257 0.000) 3.545 8.627 ( 4.073 -2.374 0.000) 4.714 8.637 ( 3.224 4.085 0.000) 5.204 8.754 ( 3.094 4.309 0.000) 5.305 8.788 ( -0.052 7.379 0.000) 7.379 9.119 ( 4.038 1.820 0.000) 4.429 9.179 ( -3.365 1.040 0.000) 3.522 9.344 ( 5.609 -0.201 0.000) 5.612 9.464 ( -6.486 -0.790 0.000) 6.534 9.469 ( 7.674 11.068 0.000) 13.468 9.640 ( 6.057 5.808 0.000) 8.391 9.719 ( -17.719 14.278 0.000) 22.756 9.739 ( -4.662 7.286 0.000) 8.650 10.146 ( 10.848 4.279 0.000) 11.662 10.355 ( 4.192 3.486 0.000) 5.452 10.401 ( -7.724 3.199 0.000) 8.360 10.482 ( -2.241 1.065 0.000) 2.481 10.671 ( 0.253 -2.594 0.000) 2.607 10.726 ( -7.031 -0.971 0.000) 7.098 11.045 ( 0.827 -1.818 0.000) 1.998 11.119 ( -6.427 -4.053 0.000) 7.598 11.289 ( 7.525 -14.341 0.000) 16.196 11.371 ( -0.166 -16.248 0.000) 16.249 11.455 ( -1.258 -8.884 0.000) 8.972 11.499 ( -4.432 -11.567 0.000) 12.387 12.856 ( 4.412 2.941 0.000) 5.302 12.952 ( -5.847 4.986 0.000) 7.684 13.109 ( -1.158 -1.955 0.000) 2.273 13.121 ( -2.631 -6.402 0.000) 6.922 13.660 ( 10.757 19.089 0.000) 21.911 13.827 ( -6.973 18.730 0.000) 19.986 13.899 ( 5.160 10.327 0.000) 11.544 13.945 ( 1.376 9.366 0.000) 9.467 14.330 ( 1.658 1.903 0.000) 2.524 14.384 ( -3.121 -1.949 0.000) 3.679 15.049 ( 3.221 -11.158 0.000) 11.614 15.059 ( 1.929 -5.864 0.000) 6.173 15.282 ( 19.900 -6.911 0.000) 21.066 15.555 ( 20.077 -25.817 0.000) 32.705 15.636 ( -17.509 -7.680 0.000) 19.119 15.913 ( -17.564 -24.153 0.000) 29.864 16.654 ( 1.699 -21.857 0.000) 21.923 16.705 ( -3.819 -22.716 0.000) 23.034 16.887 ( 4.204 -25.603 0.000) 25.946 16.960 ( -3.681 -26.633 0.000) 26.886 21.764 ( -0.014 28.766 0.000) 28.766 21.782 ( -1.919 28.187 0.000) 28.252 21.873 ( 0.337 27.012 0.000) 27.014 21.879 ( -0.312 26.942 0.000) 26.944 ======================= Grid point 35 (21/56) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 -5.242 0.000) 5.242 1.323 ( 0.000 -6.903 0.000) 6.903 1.363 ( 0.000 -7.260 0.000) 7.260 1.604 ( 0.000 -11.844 0.000) 11.844 1.630 ( 0.000 0.283 0.000) 0.283 1.873 ( 0.000 -6.234 0.000) 6.234 2.527 ( 0.000 2.629 0.000) 2.629 2.672 ( 0.000 -0.289 0.000) 0.289 2.734 ( 0.000 14.803 0.000) 14.803 3.028 ( 0.000 0.483 0.000) 0.483 3.045 ( 0.000 2.633 0.000) 2.633 3.190 ( 0.000 8.095 0.000) 8.095 3.250 ( 0.000 12.594 0.000) 12.594 3.365 ( 0.000 5.302 0.000) 5.302 3.396 ( 0.000 5.174 0.000) 5.174 3.496 ( 0.000 3.205 0.000) 3.205 3.568 ( 0.000 9.684 0.000) 9.684 3.604 ( 0.000 3.320 0.000) 3.320 3.729 ( 0.000 2.460 0.000) 2.460 3.817 ( 0.000 3.736 0.000) 3.736 3.991 ( 0.000 1.437 0.000) 1.437 4.164 ( 0.000 -7.266 0.000) 7.266 4.308 ( 0.000 14.590 0.000) 14.590 4.349 ( 0.000 13.473 0.000) 13.473 4.609 ( 0.000 0.972 0.000) 0.972 4.725 ( 0.000 -4.064 0.000) 4.064 4.940 ( 0.000 15.986 0.000) 15.986 5.107 ( 0.000 11.204 0.000) 11.204 5.191 ( 0.000 -11.695 0.000) 11.695 5.420 ( 0.000 -16.131 0.000) 16.131 5.654 ( 0.000 5.363 0.000) 5.363 5.665 ( 0.000 6.305 0.000) 6.305 5.785 ( 0.000 8.813 0.000) 8.813 5.922 ( 0.000 12.764 0.000) 12.764 6.075 ( 0.000 12.878 0.000) 12.878 6.110 ( 0.000 -5.063 0.000) 5.063 6.270 ( 0.000 3.412 0.000) 3.412 6.277 ( 0.000 -3.997 0.000) 3.997 6.540 ( 0.000 -5.317 0.000) 5.317 6.579 ( 0.000 1.064 0.000) 1.064 7.119 ( 0.000 -0.370 0.000) 0.370 7.140 ( 0.000 6.626 0.000) 6.626 7.176 ( 0.000 -6.694 0.000) 6.694 7.476 ( 0.000 -10.332 0.000) 10.332 7.601 ( 0.000 2.636 0.000) 2.636 7.986 ( 0.000 -8.856 0.000) 8.856 8.053 ( 0.000 3.391 0.000) 3.391 8.286 ( 0.000 -0.218 0.000) 0.218 8.346 ( 0.000 -4.618 0.000) 4.618 8.518 ( 0.000 -8.868 0.000) 8.868 8.547 ( 0.000 9.219 0.000) 9.219 8.720 ( 0.000 6.113 0.000) 6.113 8.946 ( 0.000 6.659 0.000) 6.659 9.185 ( 0.000 -3.356 0.000) 3.356 9.379 ( 0.000 5.230 0.000) 5.230 9.529 ( 0.000 1.462 0.000) 1.462 9.573 ( 0.000 7.287 0.000) 7.287 9.641 ( 0.000 6.666 0.000) 6.666 9.880 ( 0.000 6.561 0.000) 6.561 9.918 ( 0.000 6.820 0.000) 6.820 10.216 ( 0.000 10.091 0.000) 10.091 10.305 ( 0.000 -10.876 0.000) 10.876 10.448 ( 0.000 -10.632 0.000) 10.632 10.551 ( 0.000 2.163 0.000) 2.163 10.730 ( 0.000 0.380 0.000) 0.380 10.797 ( 0.000 -6.027 0.000) 6.027 11.097 ( 0.000 1.430 0.000) 1.430 11.167 ( 0.000 -2.025 0.000) 2.025 11.220 ( 0.000 -8.229 0.000) 8.229 11.449 ( 0.000 -10.721 0.000) 10.721 11.598 ( 0.000 1.993 0.000) 1.993 11.707 ( 0.000 -2.559 0.000) 2.559 12.898 ( 0.000 5.840 0.000) 5.840 13.187 ( 0.000 -4.716 0.000) 4.716 13.215 ( 0.000 -1.582 0.000) 1.582 13.335 ( 0.000 -4.004 0.000) 4.004 13.397 ( 0.000 10.129 0.000) 10.129 13.721 ( 0.000 7.302 0.000) 7.302 13.834 ( 0.000 6.749 0.000) 6.749 13.970 ( 0.000 -4.142 0.000) 4.142 14.035 ( 0.000 -16.497 0.000) 16.497 14.397 ( 0.000 -13.841 0.000) 13.841 14.486 ( 0.000 15.676 0.000) 15.676 14.502 ( 0.000 8.947 0.000) 8.947 14.845 ( 0.000 -2.764 0.000) 2.764 14.977 ( 0.000 4.137 0.000) 4.137 16.068 ( 0.000 -8.077 0.000) 8.077 16.070 ( 0.000 -15.170 0.000) 15.170 16.271 ( 0.000 -8.261 0.000) 8.261 16.341 ( 0.000 -14.474 0.000) 14.474 16.487 ( 0.000 -14.036 0.000) 14.036 16.650 ( 0.000 -18.353 0.000) 18.353 22.271 ( 0.000 17.627 0.000) 17.627 22.300 ( 0.000 17.173 0.000) 17.173 22.311 ( 0.000 16.119 0.000) 16.119 22.324 ( 0.000 16.950 0.000) 16.950 ======================= Grid point 36 (22/56) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -5.531 0.053 0.000) 5.532 1.246 ( -7.451 -4.360 0.000) 8.633 1.547 ( 15.057 -7.356 0.000) 16.757 1.582 ( -2.312 -11.571 0.000) 11.800 1.756 ( 11.757 -2.988 0.000) 12.131 1.866 ( 3.065 -4.968 0.000) 5.837 2.552 ( 2.126 0.611 0.000) 2.212 2.663 ( -1.105 -1.160 0.000) 1.602 2.780 ( 4.501 14.693 0.000) 15.367 3.048 ( 2.037 1.410 0.000) 2.477 3.061 ( 1.726 4.051 0.000) 4.403 3.165 ( -2.626 7.098 0.000) 7.568 3.253 ( 0.203 13.247 0.000) 13.249 3.288 ( -6.233 7.894 0.000) 10.058 3.433 ( 3.841 6.191 0.000) 7.286 3.511 ( -5.239 9.925 0.000) 11.223 3.595 ( -0.832 3.566 0.000) 3.662 3.605 ( 8.571 3.017 0.000) 9.086 3.687 ( -2.945 0.778 0.000) 3.046 3.841 ( 1.760 3.756 0.000) 4.148 3.929 ( -4.690 3.663 0.000) 5.951 4.199 ( 4.048 -7.934 0.000) 8.907 4.347 ( 0.974 8.204 0.000) 8.262 4.422 ( 7.511 14.513 0.000) 16.341 4.666 ( 6.447 3.485 0.000) 7.329 4.750 ( 2.355 -4.951 0.000) 5.482 4.975 ( 3.087 13.341 0.000) 13.693 5.107 ( -0.712 9.917 0.000) 9.943 5.212 ( 2.098 -11.180 0.000) 11.375 5.423 ( 0.662 -16.182 0.000) 16.196 5.524 ( -9.467 5.871 0.000) 11.140 5.625 ( -4.061 8.215 0.000) 9.164 5.738 ( -3.552 0.457 0.000) 3.582 5.856 ( -5.945 7.102 0.000) 9.262 6.019 ( -5.776 10.258 0.000) 11.773 6.180 ( 7.142 2.379 0.000) 7.528 6.228 ( -4.122 5.496 0.000) 6.870 6.390 ( 7.694 -0.773 0.000) 7.732 6.492 ( -4.130 -2.117 0.000) 4.641 6.597 ( 1.098 -0.184 0.000) 1.114 7.019 ( -9.968 1.928 0.000) 10.153 7.052 ( -8.392 7.988 0.000) 11.586 7.167 ( -0.585 -5.795 0.000) 5.825 7.420 ( -6.039 -9.792 0.000) 11.505 7.760 ( 14.994 1.045 0.000) 15.031 8.023 ( 3.967 -6.020 0.000) 7.209 8.098 ( 4.248 3.243 0.000) 5.344 8.298 ( 1.039 0.860 0.000) 1.349 8.357 ( 1.521 -4.477 0.000) 4.728 8.555 ( 3.654 -7.956 0.000) 8.755 8.591 ( 3.991 6.962 0.000) 8.025 8.748 ( 3.574 5.689 0.000) 6.719 9.002 ( 5.274 5.818 0.000) 7.853 9.205 ( 1.843 -2.755 0.000) 3.315 9.365 ( -2.286 3.812 0.000) 4.445 9.527 ( -0.670 0.110 0.000) 0.679 9.562 ( -0.963 7.129 0.000) 7.194 9.634 ( -0.129 6.244 0.000) 6.246 9.936 ( 6.615 6.210 0.000) 9.073 9.968 ( 5.157 7.366 0.000) 8.992 10.106 ( -5.678 7.002 0.000) 9.015 10.459 ( 9.311 -6.087 0.000) 11.125 10.492 ( 2.821 -5.589 0.000) 6.261 10.564 ( 1.599 -2.768 0.000) 3.197 10.640 ( -9.041 2.207 0.000) 9.306 10.778 ( -0.751 -7.962 0.000) 7.997 11.052 ( -4.964 0.164 0.000) 4.966 11.137 ( -2.940 -1.368 0.000) 3.243 11.201 ( -3.481 -7.232 0.000) 8.026 11.438 ( -1.211 -9.507 0.000) 9.584 11.481 ( -10.335 1.189 0.000) 10.403 11.566 ( -12.512 -3.009 0.000) 12.869 12.867 ( -2.921 3.396 0.000) 4.479 13.133 ( -5.029 -5.348 0.000) 7.341 13.181 ( -3.675 -4.032 0.000) 5.456 13.254 ( -7.804 -4.334 0.000) 8.927 13.508 ( 11.356 13.107 0.000) 17.343 13.830 ( 9.516 8.233 0.000) 12.583 13.872 ( 4.007 6.784 0.000) 7.879 14.029 ( 4.787 -2.720 0.000) 5.506 14.189 ( 15.838 -16.795 0.000) 23.085 14.447 ( 2.732 -8.088 0.000) 8.537 14.496 ( 0.951 15.637 0.000) 15.666 14.533 ( 5.823 3.856 0.000) 6.984 14.884 ( 4.278 -2.664 0.000) 5.040 14.995 ( 1.886 4.117 0.000) 4.528 15.990 ( -7.596 -6.495 0.000) 9.994 16.007 ( -6.702 -14.432 0.000) 15.912 16.288 ( 0.731 -11.178 0.000) 11.201 16.354 ( 1.501 -14.932 0.000) 15.008 16.466 ( -2.263 -14.193 0.000) 14.372 16.624 ( -2.607 -18.572 0.000) 18.754 22.263 ( -0.734 17.973 0.000) 17.988 22.299 ( -1.140 16.704 0.000) 16.743 22.302 ( 0.245 17.081 0.000) 17.083 22.324 ( -0.044 16.821 0.000) 16.821 ======================= Grid point 37 (23/56) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -7.838 6.032 0.000) 9.890 1.084 ( -8.985 0.583 0.000) 9.004 1.530 ( -2.583 -10.772 0.000) 11.078 1.644 ( -3.731 -8.386 0.000) 9.179 2.008 ( 17.602 -2.270 0.000) 17.747 2.151 ( 19.660 -7.003 0.000) 20.870 2.575 ( -0.900 -4.023 0.000) 4.122 2.629 ( -2.025 -1.534 0.000) 2.541 2.874 ( 4.534 13.779 0.000) 14.506 3.090 ( -3.124 11.673 0.000) 12.084 3.099 ( 3.416 4.086 0.000) 5.326 3.104 ( 0.175 2.737 0.000) 2.742 3.171 ( -5.319 10.236 0.000) 11.536 3.258 ( 0.350 10.607 0.000) 10.612 3.412 ( -4.576 11.211 0.000) 12.109 3.502 ( 0.540 12.514 0.000) 12.526 3.583 ( -0.052 4.784 0.000) 4.784 3.611 ( -0.594 -1.610 0.000) 1.716 3.768 ( 2.963 5.340 0.000) 6.107 3.854 ( -3.332 5.869 0.000) 6.749 3.900 ( 7.280 1.462 0.000) 7.425 4.330 ( -2.902 2.496 0.000) 3.827 4.334 ( 10.586 -10.208 0.000) 14.706 4.554 ( 6.384 12.730 0.000) 14.241 4.789 ( 1.324 -6.512 0.000) 6.646 4.849 ( 12.041 4.392 0.000) 12.817 5.015 ( -0.095 5.160 0.000) 5.161 5.048 ( -5.337 5.768 0.000) 7.859 5.239 ( -0.673 -8.292 0.000) 8.319 5.380 ( -5.700 7.176 0.000) 9.164 5.473 ( 5.245 -15.382 0.000) 16.252 5.603 ( 1.185 6.570 0.000) 6.676 5.639 ( -2.723 -0.258 0.000) 2.735 5.825 ( 0.674 3.257 0.000) 3.326 5.890 ( -6.882 7.594 0.000) 10.248 6.120 ( -7.600 4.358 0.000) 8.761 6.277 ( 4.383 7.556 0.000) 8.735 6.406 ( -4.539 5.876 0.000) 7.425 6.524 ( 5.703 -1.060 0.000) 5.801 6.618 ( 1.330 0.113 0.000) 1.335 6.807 ( -11.276 7.108 0.000) 13.329 6.867 ( -10.522 9.414 0.000) 14.118 7.119 ( -4.920 -5.474 0.000) 7.360 7.259 ( -10.679 -8.535 0.000) 13.670 8.065 ( 14.648 0.423 0.000) 14.654 8.136 ( 8.053 -0.726 0.000) 8.086 8.190 ( 5.178 2.555 0.000) 5.774 8.319 ( 1.055 1.737 0.000) 2.032 8.423 ( 6.278 -3.726 0.000) 7.301 8.646 ( 6.044 -5.493 0.000) 8.168 8.665 ( 3.766 5.284 0.000) 6.489 8.846 ( 5.123 3.063 0.000) 5.969 9.100 ( 4.273 3.933 0.000) 5.808 9.242 ( 2.224 -2.018 0.000) 3.003 9.295 ( -4.611 2.685 0.000) 5.336 9.481 ( -3.984 -3.435 0.000) 5.261 9.564 ( 2.271 8.041 0.000) 8.355 9.666 ( 3.972 5.494 0.000) 6.780 10.007 ( -5.439 9.385 0.000) 10.847 10.094 ( 7.894 7.878 0.000) 11.152 10.125 ( 10.452 4.511 0.000) 11.384 10.370 ( -14.233 6.503 0.000) 15.649 10.509 ( -0.846 -0.568 0.000) 1.018 10.580 ( 0.553 -5.490 0.000) 5.518 10.621 ( 2.515 -2.647 0.000) 3.651 10.825 ( 4.015 -14.961 0.000) 15.490 10.903 ( -11.338 -0.877 0.000) 11.372 11.032 ( -12.177 -9.675 0.000) 15.552 11.088 ( -0.497 1.588 0.000) 1.664 11.297 ( -7.800 -0.920 0.000) 7.854 11.393 ( -4.757 -3.374 0.000) 5.832 11.401 ( -2.807 -7.253 0.000) 7.778 12.818 ( -1.571 -0.249 0.000) 1.590 13.028 ( -5.917 -7.464 0.000) 9.525 13.093 ( -8.078 -3.714 0.000) 8.891 13.094 ( -5.017 -6.334 0.000) 8.080 13.755 ( 13.369 14.038 0.000) 19.385 13.961 ( 4.718 6.289 0.000) 7.862 14.004 ( 8.002 6.657 0.000) 10.409 14.105 ( 2.876 0.644 0.000) 2.947 14.451 ( 0.360 3.145 0.000) 3.166 14.511 ( 0.190 15.522 0.000) 15.523 14.578 ( 22.493 -10.729 0.000) 24.921 14.751 ( 15.863 -7.463 0.000) 17.531 15.006 ( 8.854 -2.764 0.000) 9.275 15.038 ( 2.254 3.949 0.000) 4.547 15.802 ( -12.393 -5.620 0.000) 13.608 15.822 ( -13.167 -13.123 0.000) 18.590 16.282 ( -1.004 -14.327 0.000) 14.362 16.392 ( 2.348 -16.821 0.000) 16.984 16.403 ( -4.307 -14.635 0.000) 15.256 16.562 ( -3.722 -19.200 0.000) 19.558 22.249 ( -0.687 18.619 0.000) 18.632 22.274 ( -1.433 17.754 0.000) 17.811 22.308 ( 0.286 16.953 0.000) 16.956 22.322 ( -0.180 16.803 0.000) 16.804 ======================= Grid point 38 (24/56) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -1.509 7.863 0.000) 8.006 0.943 ( -5.471 5.297 0.000) 7.615 1.508 ( 0.657 -9.676 0.000) 9.698 1.557 ( -4.293 -8.481 0.000) 9.506 2.301 ( 12.888 -3.266 0.000) 13.296 2.462 ( 12.364 -9.033 0.000) 15.312 2.489 ( -7.567 -4.242 0.000) 8.675 2.597 ( -2.933 -6.089 0.000) 6.759 2.929 ( 2.003 12.265 0.000) 12.428 2.994 ( -5.158 10.157 0.000) 11.392 3.112 ( -0.489 12.489 0.000) 12.498 3.117 ( -0.197 10.578 0.000) 10.580 3.181 ( 4.513 6.021 0.000) 7.524 3.251 ( -2.121 6.088 0.000) 6.447 3.371 ( 1.081 12.180 0.000) 12.228 3.436 ( -4.837 10.491 0.000) 11.552 3.604 ( 2.268 5.515 0.000) 5.963 3.638 ( 0.109 3.400 0.000) 3.402 3.766 ( 0.084 8.236 0.000) 8.236 3.799 ( -2.634 7.693 0.000) 8.132 4.082 ( 9.966 -0.077 0.000) 9.966 4.240 ( -6.718 0.068 0.000) 6.718 4.555 ( 10.942 -7.622 0.000) 13.334 4.649 ( 2.050 6.909 0.000) 7.207 4.805 ( 1.761 -6.912 0.000) 7.133 4.903 ( -7.600 0.466 0.000) 7.615 5.031 ( 1.648 -2.203 0.000) 2.751 5.047 ( 5.815 -4.635 0.000) 7.436 5.189 ( -1.281 3.689 0.000) 3.905 5.278 ( -6.199 8.257 0.000) 10.325 5.567 ( 2.577 -9.876 0.000) 10.207 5.577 ( -0.381 -3.339 0.000) 3.360 5.745 ( 8.558 5.200 0.000) 10.014 5.812 ( -0.878 3.784 0.000) 3.885 5.842 ( 1.058 2.399 0.000) 2.622 5.954 ( -9.591 3.228 0.000) 10.120 6.354 ( -0.159 13.140 0.000) 13.141 6.361 ( 2.706 11.477 0.000) 11.792 6.549 ( -1.380 3.511 0.000) 3.773 6.615 ( -4.383 4.487 0.000) 6.272 6.698 ( 0.771 5.376 0.000) 5.431 6.719 ( -2.579 5.526 0.000) 6.098 7.018 ( -3.780 -6.157 0.000) 7.225 7.063 ( -8.532 -7.488 0.000) 11.352 8.242 ( 5.731 0.865 0.000) 5.796 8.269 ( 2.488 1.238 0.000) 2.779 8.272 ( 4.209 1.387 0.000) 4.432 8.320 ( -1.364 2.072 0.000) 2.481 8.595 ( 10.259 -0.459 0.000) 10.270 8.708 ( -0.749 3.148 0.000) 3.236 8.772 ( 6.855 -2.182 0.000) 7.194 8.870 ( -2.846 0.861 0.000) 2.974 9.157 ( 2.386 2.118 0.000) 3.191 9.212 ( -3.854 2.111 0.000) 4.395 9.303 ( 4.453 -3.197 0.000) 5.482 9.396 ( -5.017 -4.576 0.000) 6.790 9.682 ( 10.715 9.687 0.000) 14.445 9.770 ( 6.792 6.033 0.000) 9.085 9.883 ( -7.824 7.874 0.000) 11.101 9.978 ( -17.095 9.259 0.000) 19.441 10.263 ( 10.762 6.778 0.000) 12.719 10.415 ( 10.055 3.527 0.000) 10.655 10.496 ( 0.215 -0.099 0.000) 0.237 10.500 ( -13.347 5.144 0.000) 14.304 10.609 ( 1.282 -3.055 0.000) 3.313 10.687 ( -9.103 -2.936 0.000) 9.564 10.836 ( -0.685 -14.837 0.000) 14.852 10.881 ( -4.804 -14.813 0.000) 15.572 11.165 ( 6.885 -0.150 0.000) 6.887 11.239 ( 0.151 -1.506 0.000) 1.514 11.319 ( -3.477 -4.277 0.000) 5.512 11.337 ( -3.734 -5.805 0.000) 6.902 12.825 ( 2.470 -3.614 0.000) 4.377 12.908 ( -6.183 -6.269 0.000) 8.805 13.002 ( -1.646 -5.700 0.000) 5.933 13.016 ( -2.871 -7.004 0.000) 7.569 13.958 ( 7.448 10.348 0.000) 12.750 14.019 ( 0.663 5.993 0.000) 6.030 14.108 ( 3.128 4.940 0.000) 5.847 14.132 ( 0.167 4.258 0.000) 4.262 14.460 ( 1.250 10.706 0.000) 10.779 14.494 ( -1.865 14.692 0.000) 14.809 14.932 ( 12.114 0.081 0.000) 12.115 15.050 ( -1.872 3.312 0.000) 3.805 15.110 ( 22.405 -14.720 0.000) 26.808 15.229 ( 15.256 -3.996 0.000) 15.771 15.513 ( -19.479 -15.251 0.000) 24.739 15.535 ( -16.324 -3.457 0.000) 16.686 16.274 ( 0.723 -15.515 0.000) 15.532 16.320 ( -4.012 -15.309 0.000) 15.826 16.438 ( 2.669 -19.015 0.000) 19.201 16.495 ( -3.372 -19.698 0.000) 19.985 22.242 ( 0.029 18.979 0.000) 18.979 22.251 ( -0.934 18.673 0.000) 18.696 22.313 ( 0.274 16.860 0.000) 16.863 22.318 ( -0.240 16.815 0.000) 16.817 ======================= Grid point 42 (25/56) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 0.895 0.000) 0.895 1.213 ( 0.000 -6.779 0.000) 6.779 1.262 ( 0.000 1.436 0.000) 1.436 1.379 ( 0.000 -9.654 0.000) 9.654 1.657 ( 0.000 2.754 0.000) 2.754 1.745 ( 0.000 -5.933 0.000) 5.933 2.561 ( 0.000 1.445 0.000) 1.445 2.609 ( 0.000 -3.575 0.000) 3.575 2.962 ( 0.000 7.331 0.000) 7.331 3.033 ( 0.000 -0.711 0.000) 0.711 3.108 ( 0.000 3.666 0.000) 3.666 3.173 ( 0.000 -2.487 0.000) 2.487 3.454 ( 0.000 2.725 0.000) 2.725 3.465 ( 0.000 1.611 0.000) 1.611 3.596 ( 0.000 6.887 0.000) 6.887 3.656 ( 0.000 11.875 0.000) 11.875 3.664 ( 0.000 2.418 0.000) 2.418 3.699 ( 0.000 9.716 0.000) 9.716 3.716 ( 0.000 -3.830 0.000) 3.830 3.889 ( 0.000 4.076 0.000) 4.076 3.957 ( 0.000 -7.218 0.000) 7.218 4.006 ( 0.000 -7.731 0.000) 7.731 4.511 ( 0.000 3.101 0.000) 3.101 4.556 ( 0.000 1.486 0.000) 1.486 4.654 ( 0.000 13.258 0.000) 13.258 4.735 ( 0.000 7.047 0.000) 7.047 4.943 ( 0.000 -11.858 0.000) 11.858 5.034 ( 0.000 -20.599 0.000) 20.599 5.157 ( 0.000 6.957 0.000) 6.957 5.226 ( 0.000 0.700 0.000) 0.700 5.703 ( 0.000 0.886 0.000) 0.886 5.712 ( 0.000 -0.048 0.000) 0.048 5.953 ( 0.000 6.722 0.000) 6.722 6.039 ( 0.000 -2.674 0.000) 2.674 6.105 ( 0.000 6.347 0.000) 6.347 6.204 ( 0.000 -3.990 0.000) 3.990 6.317 ( 0.000 10.932 0.000) 10.932 6.356 ( 0.000 4.633 0.000) 4.633 6.452 ( 0.000 -4.086 0.000) 4.086 6.512 ( 0.000 -7.166 0.000) 7.166 7.097 ( 0.000 -1.055 0.000) 1.055 7.098 ( 0.000 -1.546 0.000) 1.546 7.248 ( 0.000 4.346 0.000) 4.346 7.330 ( 0.000 -4.747 0.000) 4.747 7.690 ( 0.000 5.729 0.000) 5.729 7.821 ( 0.000 -7.498 0.000) 7.498 8.138 ( 0.000 4.800 0.000) 4.800 8.232 ( 0.000 -4.289 0.000) 4.289 8.302 ( 0.000 0.447 0.000) 0.447 8.365 ( 0.000 -5.787 0.000) 5.787 8.704 ( 0.000 5.955 0.000) 5.955 8.772 ( 0.000 -0.655 0.000) 0.655 9.059 ( 0.000 4.493 0.000) 4.493 9.127 ( 0.000 -2.716 0.000) 2.716 9.479 ( 0.000 4.315 0.000) 4.315 9.535 ( 0.000 -1.177 0.000) 1.177 9.696 ( 0.000 4.349 0.000) 4.349 9.727 ( 0.000 1.519 0.000) 1.519 9.988 ( 0.000 5.077 0.000) 5.077 10.068 ( 0.000 8.105 0.000) 8.105 10.113 ( 0.000 -7.954 0.000) 7.954 10.243 ( 0.000 -9.629 0.000) 9.629 10.444 ( 0.000 11.947 0.000) 11.947 10.607 ( 0.000 3.282 0.000) 3.282 10.651 ( 0.000 -7.904 0.000) 7.904 10.686 ( 0.000 -4.857 0.000) 4.857 11.100 ( 0.000 -0.342 0.000) 0.342 11.115 ( 0.000 -2.525 0.000) 2.525 11.158 ( 0.000 2.249 0.000) 2.249 11.264 ( 0.000 -7.794 0.000) 7.794 11.634 ( 0.000 1.612 0.000) 1.612 11.666 ( 0.000 -1.714 0.000) 1.714 12.990 ( 0.000 4.852 0.000) 4.852 13.112 ( 0.000 -7.027 0.000) 7.027 13.145 ( 0.000 0.858 0.000) 0.858 13.217 ( 0.000 -5.902 0.000) 5.902 13.607 ( 0.000 9.739 0.000) 9.739 13.772 ( 0.000 -6.764 0.000) 6.764 13.916 ( 0.000 1.845 0.000) 1.845 13.917 ( 0.000 7.704 0.000) 7.704 13.932 ( 0.000 -0.470 0.000) 0.470 14.125 ( 0.000 -12.338 0.000) 12.338 14.682 ( 0.000 7.914 0.000) 7.914 14.793 ( 0.000 13.514 0.000) 13.514 14.797 ( 0.000 -3.633 0.000) 3.633 14.982 ( 0.000 -4.655 0.000) 4.655 15.880 ( 0.000 -3.210 0.000) 3.210 15.923 ( 0.000 -6.111 0.000) 6.111 16.166 ( 0.000 -2.679 0.000) 2.679 16.167 ( 0.000 -3.406 0.000) 3.406 16.320 ( 0.000 -2.656 0.000) 2.656 16.380 ( 0.000 -8.525 0.000) 8.525 22.514 ( 0.000 6.591 0.000) 6.591 22.526 ( 0.000 5.451 0.000) 5.451 22.537 ( 0.000 6.204 0.000) 6.204 22.547 ( 0.000 5.379 0.000) 5.379 ======================= Grid point 43 (26/56) ======================= q-point: ( 0.14 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 3.265 6.309 0.000) 7.104 1.224 ( -3.748 2.751 0.000) 4.650 1.357 ( -2.272 -9.987 0.000) 10.243 1.369 ( 10.959 -9.779 0.000) 14.688 1.724 ( 8.777 0.177 0.000) 8.778 1.768 ( 5.662 -4.059 0.000) 6.967 2.554 ( -0.973 0.651 0.000) 1.171 2.598 ( -1.242 -3.577 0.000) 3.787 3.006 ( 4.223 7.185 0.000) 8.334 3.069 ( 3.620 -0.057 0.000) 3.620 3.126 ( 1.843 3.052 0.000) 3.565 3.173 ( 0.105 -1.357 0.000) 1.361 3.440 ( -2.738 6.624 0.000) 7.168 3.512 ( 4.305 0.400 0.000) 4.323 3.592 ( -5.237 8.511 0.000) 9.993 3.633 ( -4.314 2.095 0.000) 4.796 3.660 ( 7.854 2.406 0.000) 8.214 3.689 ( -1.332 -0.341 0.000) 1.375 3.717 ( 2.100 12.485 0.000) 12.660 3.903 ( 0.988 3.633 0.000) 3.765 3.934 ( -1.605 -5.156 0.000) 5.400 4.027 ( 2.158 -8.459 0.000) 8.730 4.485 ( -2.686 5.635 0.000) 6.243 4.598 ( 2.104 -5.159 0.000) 5.572 4.711 ( 5.183 13.135 0.000) 14.120 4.779 ( 4.378 7.389 0.000) 8.589 4.974 ( 4.206 -11.338 0.000) 12.093 5.054 ( 2.848 -18.876 0.000) 19.090 5.138 ( -2.846 4.989 0.000) 5.743 5.200 ( -3.817 -0.310 0.000) 3.830 5.609 ( -7.046 3.318 0.000) 7.788 5.669 ( -5.335 -2.845 0.000) 6.046 5.801 ( -6.728 6.355 0.000) 9.255 5.894 ( -6.947 -2.279 0.000) 7.312 6.199 ( -8.369 7.970 0.000) 11.556 6.282 ( 10.238 5.972 0.000) 11.852 6.314 ( -7.739 -1.262 0.000) 7.841 6.369 ( 9.092 -2.366 0.000) 9.395 6.461 ( 3.178 2.859 0.000) 4.275 6.561 ( 2.657 -4.406 0.000) 5.145 7.047 ( -4.871 1.429 0.000) 5.076 7.088 ( -1.426 -2.756 0.000) 3.103 7.183 ( -6.645 5.171 0.000) 8.420 7.276 ( -5.730 -5.048 0.000) 7.637 7.815 ( 12.429 4.092 0.000) 13.085 7.910 ( 8.897 -5.314 0.000) 10.364 8.176 ( 3.637 4.351 0.000) 5.671 8.260 ( 2.589 -3.654 0.000) 4.478 8.322 ( 2.474 1.259 0.000) 2.776 8.403 ( 3.967 -6.458 0.000) 7.579 8.721 ( 1.881 5.429 0.000) 5.745 8.790 ( 2.154 -1.087 0.000) 2.413 9.100 ( 3.784 3.806 0.000) 5.367 9.156 ( 2.742 -2.257 0.000) 3.551 9.443 ( -3.768 3.789 0.000) 5.344 9.506 ( -3.439 -2.267 0.000) 4.119 9.683 ( -0.864 4.319 0.000) 4.404 9.714 ( -0.702 1.406 0.000) 1.571 10.050 ( 6.866 5.854 0.000) 9.023 10.131 ( 6.275 8.814 0.000) 10.820 10.160 ( 4.024 -3.679 0.000) 5.452 10.317 ( 7.045 -9.726 0.000) 12.009 10.447 ( 0.449 6.450 0.000) 6.466 10.570 ( -3.664 2.038 0.000) 4.193 10.595 ( -5.802 -6.067 0.000) 8.395 10.643 ( -3.876 -5.405 0.000) 6.651 11.053 ( -4.925 0.839 0.000) 4.996 11.098 ( -3.646 -3.667 0.000) 5.171 11.153 ( -0.383 3.604 0.000) 3.624 11.270 ( 0.409 -7.528 0.000) 7.539 11.508 ( -11.278 1.205 0.000) 11.343 11.529 ( -12.385 -1.132 0.000) 12.436 12.933 ( -5.141 4.333 0.000) 6.723 13.054 ( -5.426 -7.347 0.000) 9.133 13.078 ( -6.400 0.313 0.000) 6.407 13.141 ( -7.221 -5.460 0.000) 9.053 13.749 ( 12.856 10.573 0.000) 16.645 13.936 ( 11.261 -8.479 0.000) 14.097 13.959 ( 4.284 2.465 0.000) 4.943 13.991 ( 5.106 -1.208 0.000) 5.247 14.005 ( 13.080 7.992 0.000) 15.329 14.202 ( 8.417 -11.415 0.000) 14.182 14.709 ( 3.136 8.420 0.000) 8.985 14.810 ( 1.617 13.914 0.000) 14.008 14.833 ( 3.909 -3.967 0.000) 5.569 15.003 ( 2.144 -4.623 0.000) 5.096 15.826 ( -5.901 -2.671 0.000) 6.478 15.873 ( -5.382 -5.619 0.000) 7.781 16.142 ( -1.963 -2.802 0.000) 3.421 16.166 ( -0.627 -4.830 0.000) 4.871 16.294 ( -2.714 -2.893 0.000) 3.967 16.352 ( -2.915 -8.527 0.000) 9.012 22.512 ( -0.234 6.794 0.000) 6.798 22.527 ( 0.061 5.326 0.000) 5.326 22.533 ( -0.462 6.429 0.000) 6.446 22.545 ( -0.173 5.278 0.000) 5.281 ======================= Grid point 44 (27/56) ======================= q-point: ( 0.29 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -4.281 5.669 0.000) 7.104 1.177 ( -4.177 11.721 0.000) 12.443 1.308 ( -2.311 -10.563 0.000) 10.813 1.430 ( -3.070 -12.640 0.000) 13.007 1.980 ( 16.747 -0.045 0.000) 16.747 2.024 ( 17.258 -4.666 0.000) 17.878 2.516 ( -3.290 -0.554 0.000) 3.336 2.559 ( -3.168 -4.099 0.000) 5.180 3.087 ( 3.620 7.236 0.000) 8.091 3.153 ( 0.196 3.057 0.000) 3.063 3.154 ( 5.053 0.415 0.000) 5.070 3.193 ( 2.546 0.128 0.000) 2.549 3.372 ( -3.351 9.409 0.000) 9.988 3.479 ( -6.178 7.716 0.000) 9.885 3.531 ( -2.727 -6.244 0.000) 6.814 3.546 ( -4.396 1.220 0.000) 4.562 3.752 ( 7.864 11.273 0.000) 13.745 3.760 ( 2.453 12.092 0.000) 12.338 3.870 ( 11.990 3.149 0.000) 12.397 3.909 ( 0.126 1.529 0.000) 1.534 3.916 ( -0.361 -1.566 0.000) 1.607 4.099 ( 6.851 -12.538 0.000) 14.287 4.412 ( -5.165 6.702 0.000) 8.461 4.600 ( -1.774 -11.022 0.000) 11.164 4.768 ( 1.038 8.150 0.000) 8.216 4.867 ( 3.235 -2.095 0.000) 3.854 5.036 ( -7.255 0.126 0.000) 7.256 5.067 ( -9.240 -2.237 0.000) 9.507 5.103 ( 9.240 -2.617 0.000) 9.603 5.189 ( 11.202 -11.075 0.000) 15.752 5.504 ( -4.444 4.690 0.000) 6.461 5.569 ( -4.723 -2.637 0.000) 5.410 5.761 ( 2.234 5.847 0.000) 6.259 5.839 ( 0.329 -1.821 0.000) 1.850 6.037 ( -8.491 7.099 0.000) 11.068 6.145 ( -9.650 -2.739 0.000) 10.032 6.422 ( 5.939 6.080 0.000) 8.499 6.503 ( 5.574 -2.073 0.000) 5.947 6.514 ( 2.403 5.538 0.000) 6.037 6.604 ( 2.305 -2.719 0.000) 3.565 6.929 ( -7.305 5.334 0.000) 9.045 7.021 ( -10.175 6.067 0.000) 11.846 7.025 ( -5.518 -4.471 0.000) 7.102 7.125 ( -9.966 -5.238 0.000) 11.259 8.086 ( 13.992 1.556 0.000) 14.078 8.117 ( 11.952 -1.299 0.000) 12.023 8.253 ( 4.076 3.369 0.000) 5.288 8.310 ( 2.450 -2.074 0.000) 3.210 8.411 ( 7.844 2.689 0.000) 8.292 8.514 ( 8.043 -6.829 0.000) 10.551 8.767 ( 2.444 4.801 0.000) 5.388 8.845 ( 2.787 -2.617 0.000) 3.823 9.166 ( 2.571 2.595 0.000) 3.653 9.205 ( 2.079 -1.656 0.000) 2.658 9.352 ( -5.444 3.007 0.000) 6.219 9.414 ( -5.696 -3.245 0.000) 6.555 9.698 ( 3.481 4.750 0.000) 5.889 9.736 ( 3.715 1.066 0.000) 3.865 10.165 ( -2.921 6.091 0.000) 6.756 10.214 ( 4.220 2.458 0.000) 4.884 10.264 ( 6.768 8.847 0.000) 11.139 10.433 ( -4.702 1.877 0.000) 5.063 10.439 ( 2.586 -8.238 0.000) 8.634 10.513 ( 0.571 1.097 0.000) 1.237 10.520 ( 3.826 -6.078 0.000) 7.182 10.591 ( -0.265 -7.643 0.000) 7.647 10.886 ( -13.244 0.159 0.000) 13.245 10.918 ( -15.360 -3.080 0.000) 15.666 11.153 ( 0.624 4.897 0.000) 4.937 11.269 ( -0.689 -6.375 0.000) 6.412 11.308 ( -7.789 1.782 0.000) 7.990 11.348 ( -5.677 -1.955 0.000) 6.004 12.835 ( -4.526 2.908 0.000) 5.380 12.943 ( -7.330 -0.729 0.000) 7.366 12.943 ( -5.650 -7.511 0.000) 9.399 12.991 ( -7.812 -4.924 0.000) 9.234 13.977 ( 9.607 8.005 0.000) 12.505 14.046 ( 4.292 2.697 0.000) 5.069 14.069 ( 5.298 -0.827 0.000) 5.362 14.085 ( 4.324 -1.496 0.000) 4.575 14.398 ( 21.824 -1.069 0.000) 21.850 14.448 ( 19.188 -5.248 0.000) 19.892 14.812 ( 8.301 8.141 0.000) 11.627 14.840 ( 1.047 15.008 0.000) 15.044 14.945 ( 8.148 -4.626 0.000) 9.369 15.050 ( 2.344 -4.871 0.000) 5.406 15.655 ( -12.507 -1.217 0.000) 12.566 15.719 ( -11.249 -5.069 0.000) 12.338 16.099 ( -2.287 -3.186 0.000) 3.922 16.149 ( -0.897 -7.596 0.000) 7.649 16.222 ( -4.871 -3.261 0.000) 5.862 16.279 ( -4.561 -8.880 0.000) 9.983 22.507 ( -0.186 7.180 0.000) 7.182 22.522 ( -0.618 6.906 0.000) 6.933 22.529 ( 0.113 5.097 0.000) 5.099 22.541 ( -0.277 5.088 0.000) 5.096 ======================= Grid point 45 (28/56) ======================= q-point: ( 0.43 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -1.233 9.080 0.000) 9.163 1.103 ( -2.848 11.872 0.000) 12.209 1.293 ( 1.061 -11.218 0.000) 11.268 1.348 ( -4.409 -12.060 0.000) 12.840 2.255 ( 11.930 -0.458 0.000) 11.939 2.306 ( 12.019 -5.669 0.000) 13.289 2.425 ( -6.688 -0.837 0.000) 6.740 2.473 ( -6.365 -5.202 0.000) 8.221 3.129 ( 1.107 8.082 0.000) 8.158 3.145 ( -0.777 6.537 0.000) 6.583 3.236 ( 2.999 -1.731 0.000) 3.463 3.243 ( 1.990 -1.971 0.000) 2.801 3.340 ( 0.049 9.822 0.000) 9.822 3.380 ( -4.139 8.604 0.000) 9.548 3.479 ( -1.722 -3.745 0.000) 4.122 3.484 ( -2.053 -0.634 0.000) 2.149 3.806 ( 2.410 11.330 0.000) 11.584 3.842 ( -0.279 11.700 0.000) 11.703 3.898 ( 0.968 4.333 0.000) 4.440 3.912 ( -0.271 1.613 0.000) 1.635 4.098 ( 11.463 3.332 0.000) 11.937 4.287 ( -8.420 6.460 0.000) 10.612 4.308 ( 13.514 -14.894 0.000) 20.111 4.517 ( -7.801 -14.478 0.000) 16.446 4.799 ( 3.088 3.505 0.000) 4.671 4.894 ( 0.804 -6.903 0.000) 6.949 4.895 ( -7.096 -0.435 0.000) 7.109 4.934 ( -4.150 -4.708 0.000) 6.276 5.284 ( 8.840 4.542 0.000) 9.939 5.390 ( 8.564 -6.917 0.000) 11.008 5.415 ( -5.497 5.074 0.000) 7.481 5.495 ( -3.713 -3.747 0.000) 5.275 5.835 ( 4.196 3.572 0.000) 5.511 5.875 ( 3.235 -0.070 0.000) 3.236 5.907 ( -4.917 5.027 0.000) 7.032 5.978 ( -7.645 -1.433 0.000) 7.779 6.539 ( 5.873 5.897 0.000) 8.323 6.558 ( 2.264 7.351 0.000) 7.692 6.593 ( 4.383 0.252 0.000) 4.390 6.646 ( 1.057 -1.421 0.000) 1.771 6.807 ( -4.121 5.290 0.000) 6.706 6.837 ( -7.777 5.525 0.000) 9.540 6.909 ( -5.057 -5.081 0.000) 7.169 6.939 ( -8.307 -5.210 0.000) 9.806 8.267 ( 5.491 1.635 0.000) 5.729 8.290 ( 5.585 -0.179 0.000) 5.588 8.306 ( 0.932 2.144 0.000) 2.338 8.337 ( -0.051 -0.506 0.000) 0.508 8.617 ( 12.116 2.653 0.000) 12.403 8.694 ( 10.294 -4.689 0.000) 11.312 8.772 ( -3.391 3.435 0.000) 4.826 8.841 ( -4.250 -3.084 0.000) 5.251 9.200 ( 1.930 2.129 0.000) 2.873 9.244 ( 2.716 -2.506 0.000) 3.696 9.258 ( -4.308 2.463 0.000) 4.962 9.314 ( -4.710 -3.386 0.000) 5.801 9.828 ( 10.114 4.495 0.000) 11.068 9.852 ( 8.651 1.830 0.000) 8.843 10.022 ( -10.052 5.562 0.000) 11.488 10.077 ( -13.984 0.708 0.000) 14.002 10.381 ( 7.341 4.693 0.000) 8.713 10.462 ( 4.089 -3.297 0.000) 5.252 10.499 ( 6.034 4.712 0.000) 7.656 10.569 ( -6.146 1.138 0.000) 6.251 10.575 ( 2.385 -0.358 0.000) 2.411 10.614 ( 0.949 -6.041 0.000) 6.115 10.630 ( -11.415 -2.409 0.000) 11.667 10.645 ( -6.460 -7.538 0.000) 9.927 11.189 ( 3.291 2.176 0.000) 3.945 11.234 ( -1.078 0.946 0.000) 1.434 11.247 ( -1.362 -3.620 0.000) 3.868 11.265 ( -4.040 -1.915 0.000) 4.471 12.787 ( -0.309 0.822 0.000) 0.878 12.828 ( -4.525 -0.765 0.000) 4.590 12.867 ( -2.010 -6.750 0.000) 7.043 12.881 ( -3.535 -5.436 0.000) 6.484 14.091 ( 2.940 3.850 0.000) 4.844 14.102 ( 1.442 2.701 0.000) 3.062 14.137 ( 1.908 -0.964 0.000) 2.138 14.140 ( 1.475 -1.268 0.000) 1.945 14.689 ( 11.091 10.685 0.000) 15.401 14.822 ( -3.581 15.495 0.000) 15.903 14.876 ( 19.934 -9.160 0.000) 21.938 15.020 ( 14.061 6.927 0.000) 15.675 15.058 ( -2.638 -6.479 0.000) 6.995 15.150 ( 14.636 -5.277 0.000) 15.558 15.360 ( -18.824 1.488 0.000) 18.883 15.457 ( -16.379 -5.191 0.000) 17.182 16.078 ( 0.581 -3.280 0.000) 3.331 16.128 ( -4.500 -3.299 0.000) 5.580 16.148 ( 1.131 -9.720 0.000) 9.786 16.196 ( -3.878 -9.770 0.000) 10.511 22.506 ( 0.105 7.418 0.000) 7.418 22.512 ( -0.449 7.314 0.000) 7.328 22.531 ( 0.194 4.943 0.000) 4.947 22.536 ( -0.267 4.946 0.000) 4.953 ======================= Grid point 91 (29/56) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 0.000 28.847) 28.847 0.665 ( 0.000 0.000 32.038) 32.038 1.118 ( 0.000 0.000 52.769) 52.769 1.169 ( 0.000 0.000 -26.328) 26.328 1.289 ( 0.000 0.000 -28.319) 28.319 1.714 ( 0.000 0.000 1.990) 1.990 1.817 ( 0.000 0.000 -8.989) 8.989 1.966 ( 0.000 0.000 -0.357) 0.357 1.967 ( 0.000 0.000 -0.212) 0.212 2.110 ( 0.000 0.000 16.114) 16.114 2.137 ( 0.000 0.000 -36.708) 36.708 2.289 ( 0.000 0.000 -8.395) 8.395 2.429 ( 0.000 0.000 18.250) 18.250 2.684 ( 0.000 0.000 7.497) 7.497 2.726 ( 0.000 0.000 -10.162) 10.162 2.863 ( 0.000 0.000 -12.418) 12.418 2.893 ( 0.000 0.000 10.093) 10.093 3.254 ( 0.000 0.000 -20.600) 20.600 3.301 ( 0.000 0.000 0.081) 0.081 3.309 ( 0.000 0.000 -0.645) 0.645 3.351 ( 0.000 0.000 3.239) 3.239 3.409 ( 0.000 0.000 -0.103) 0.103 3.480 ( 0.000 0.000 0.256) 0.256 3.481 ( 0.000 0.000 0.128) 0.128 3.523 ( 0.000 0.000 6.633) 6.633 3.691 ( 0.000 0.000 -6.410) 6.410 3.695 ( 0.000 0.000 19.515) 19.515 3.750 ( 0.000 0.000 0.381) 0.381 3.758 ( 0.000 0.000 -0.319) 0.319 4.012 ( 0.000 0.000 -10.991) 10.991 4.571 ( 0.000 0.000 27.133) 27.133 4.834 ( 0.000 0.000 4.975) 4.975 4.838 ( 0.000 0.000 -2.921) 2.921 5.107 ( 0.000 0.000 -15.520) 15.520 6.001 ( 0.000 0.000 0.500) 0.500 6.004 ( 0.000 0.000 0.510) 0.510 6.341 ( 0.000 0.000 0.467) 0.467 6.408 ( 0.000 0.000 -7.147) 7.147 6.773 ( 0.000 0.000 4.017) 4.017 6.795 ( 0.000 0.000 0.718) 0.718 6.874 ( 0.000 0.000 1.259) 1.259 6.903 ( 0.000 0.000 -1.360) 1.360 7.288 ( 0.000 0.000 1.232) 1.232 7.317 ( 0.000 0.000 -1.341) 1.341 7.757 ( 0.000 0.000 3.208) 3.208 7.867 ( 0.000 0.000 -6.719) 6.719 8.142 ( 0.000 0.000 4.182) 4.182 8.225 ( 0.000 0.000 -3.172) 3.172 8.278 ( 0.000 0.000 3.030) 3.030 8.359 ( 0.000 0.000 -4.561) 4.561 8.465 ( 0.000 0.000 2.238) 2.238 8.478 ( 0.000 0.000 5.850) 5.850 8.493 ( 0.000 0.000 0.158) 0.158 8.592 ( 0.000 0.000 -4.599) 4.599 8.945 ( 0.000 0.000 -0.209) 0.209 8.954 ( 0.000 0.000 -1.159) 1.159 9.437 ( 0.000 0.000 2.291) 2.291 9.480 ( 0.000 0.000 -1.512) 1.512 9.551 ( 0.000 0.000 8.056) 8.056 9.711 ( 0.000 0.000 2.179) 2.179 9.744 ( 0.000 0.000 -8.139) 8.139 9.772 ( 0.000 0.000 -2.198) 2.198 10.424 ( 0.000 0.000 -0.030) 0.030 10.424 ( 0.000 0.000 -0.057) 0.057 10.776 ( 0.000 0.000 8.174) 8.174 10.986 ( 0.000 0.000 -11.471) 11.471 11.114 ( 0.000 0.000 0.109) 0.109 11.116 ( 0.000 0.000 -0.094) 0.094 11.699 ( 0.000 0.000 10.235) 10.235 11.856 ( 0.000 0.000 -4.482) 4.482 12.232 ( 0.000 0.000 -0.074) 0.074 12.251 ( 0.000 0.000 -0.533) 0.533 12.273 ( 0.000 0.000 -0.656) 0.656 12.285 ( 0.000 0.000 -0.476) 0.476 13.093 ( 0.000 0.000 0.371) 0.371 13.127 ( 0.000 0.000 -2.628) 2.628 13.236 ( 0.000 0.000 2.361) 2.361 13.279 ( 0.000 0.000 -1.871) 1.871 13.443 ( 0.000 0.000 6.157) 6.157 13.559 ( 0.000 0.000 -4.476) 4.476 14.959 ( 0.000 0.000 1.741) 1.741 14.996 ( 0.000 0.000 -1.502) 1.502 16.236 ( 0.000 0.000 0.008) 0.008 16.236 ( 0.000 0.000 -0.008) 0.008 16.464 ( 0.000 0.000 2.890) 2.890 16.539 ( 0.000 0.000 -3.850) 3.850 17.256 ( 0.000 0.000 2.961) 2.961 17.307 ( 0.000 0.000 -1.655) 1.655 17.762 ( 0.000 0.000 3.211) 3.211 17.842 ( 0.000 0.000 -3.844) 3.844 19.023 ( 0.000 0.000 3.214) 3.214 19.098 ( 0.000 0.000 -3.465) 3.465 19.366 ( 0.000 0.000 0.016) 0.016 19.367 ( 0.000 0.000 -0.016) 0.016 19.569 ( 0.000 0.000 2.036) 2.036 19.609 ( 0.000 0.000 -1.556) 1.556 ======================= Grid point 92 (30/56) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 15.099 0.000 18.611) 23.966 0.834 ( 15.895 0.000 24.374) 29.099 1.165 ( -0.608 0.000 -21.242) 21.251 1.365 ( 7.555 0.000 -25.656) 26.745 1.389 ( 16.158 0.000 32.455) 36.255 1.737 ( 1.629 0.000 0.491) 1.701 1.749 ( 2.602 0.000 0.488) 2.648 1.949 ( -1.285 0.000 0.467) 1.367 1.967 ( -0.714 0.000 -1.030) 1.253 2.099 ( 0.473 0.000 5.603) 5.623 2.188 ( -5.626 0.000 2.879) 6.320 2.343 ( 13.591 0.000 -33.858) 36.484 2.431 ( 0.401 0.000 17.626) 17.631 2.644 ( -4.561 0.000 6.676) 8.086 2.697 ( -8.598 0.000 -1.071) 8.664 2.717 ( -0.863 0.000 -9.735) 9.773 3.034 ( 9.209 0.000 -1.724) 9.369 3.207 ( -8.233 0.000 -0.138) 8.234 3.210 ( -8.321 0.000 -0.376) 8.329 3.218 ( -0.569 0.000 -10.400) 10.416 3.322 ( 3.014 0.000 6.896) 7.526 3.526 ( 3.133 0.000 0.385) 3.157 3.532 ( 3.326 0.000 -0.133) 3.328 3.540 ( 7.979 0.000 0.003) 7.979 3.704 ( 10.003 0.000 -7.319) 12.395 3.751 ( 5.632 0.000 3.244) 6.500 3.759 ( 0.887 0.000 0.272) 0.928 3.764 ( 0.680 0.000 -0.230) 0.718 3.964 ( 15.344 0.000 -3.677) 15.779 4.108 ( 9.276 0.000 -9.797) 13.491 4.584 ( 1.460 0.000 24.483) 24.527 4.710 ( -8.311 0.000 4.614) 9.506 4.847 ( -3.336 0.000 2.073) 3.928 5.113 ( 0.757 0.000 -15.287) 15.305 5.887 ( -8.572 0.000 5.818) 10.360 5.993 ( -3.917 0.000 -2.854) 4.846 6.357 ( -4.535 0.000 -3.627) 5.807 6.367 ( 2.392 0.000 -2.735) 3.633 6.699 ( -4.299 0.000 6.394) 7.705 6.774 ( -0.920 0.000 -1.471) 1.735 6.881 ( 0.777 0.000 1.098) 1.345 6.907 ( 0.431 0.000 -1.211) 1.286 7.234 ( -5.129 0.000 1.272) 5.285 7.263 ( -5.161 0.000 -1.307) 5.324 7.736 ( -2.222 0.000 2.548) 3.381 7.828 ( -4.523 0.000 -5.486) 7.110 8.283 ( 11.449 0.000 3.796) 12.062 8.350 ( 6.928 0.000 2.306) 7.302 8.378 ( 11.129 0.000 -5.589) 12.454 8.414 ( 4.824 0.000 -3.548) 5.988 8.501 ( 4.056 0.000 2.444) 4.735 8.539 ( 5.160 0.000 -0.332) 5.170 8.559 ( 7.224 0.000 1.878) 7.464 8.628 ( 4.790 0.000 -3.225) 5.775 8.923 ( -2.236 0.000 0.064) 2.237 8.940 ( -1.482 0.000 -1.607) 2.186 9.398 ( -4.108 0.000 2.700) 4.916 9.448 ( -3.406 0.000 -1.825) 3.864 9.679 ( 9.427 0.000 8.560) 12.733 9.724 ( 0.114 0.000 1.235) 1.241 9.774 ( 4.094 0.000 1.719) 4.440 9.959 ( 18.017 0.000 -14.073) 22.862 10.441 ( 1.787 0.000 -0.018) 1.787 10.442 ( 1.794 0.000 -0.051) 1.795 10.721 ( -6.187 0.000 7.706) 9.882 10.880 ( -12.411 0.000 -3.674) 12.943 11.093 ( -2.172 0.000 0.092) 2.174 11.095 ( -2.208 0.000 -0.079) 2.210 11.361 ( -16.923 0.000 22.278) 27.977 11.686 ( -16.159 0.000 -8.691) 18.347 12.086 ( -0.937 0.000 8.175) 8.228 12.184 ( -5.038 0.000 -1.814) 5.354 12.272 ( -0.724 0.000 -0.716) 1.018 12.376 ( 0.477 0.000 -10.431) 10.442 13.036 ( -5.973 0.000 5.546) 8.151 13.112 ( -5.373 0.000 -2.299) 5.844 13.228 ( -0.521 0.000 2.488) 2.542 13.278 ( 3.198 0.000 -2.499) 4.058 13.448 ( 0.235 0.000 5.279) 5.284 13.545 ( -1.328 0.000 -3.744) 3.973 15.049 ( 8.736 0.000 5.734) 10.449 15.273 ( 15.423 0.000 -18.217) 23.869 16.239 ( 0.342 0.000 0.007) 0.342 16.239 ( 0.340 0.000 -0.007) 0.340 16.397 ( -6.158 0.000 3.422) 7.045 16.493 ( -4.606 0.000 -4.981) 6.784 17.175 ( 2.521 0.000 17.545) 17.725 17.542 ( 8.537 0.000 -20.430) 22.142 17.781 ( 2.638 0.000 5.805) 6.376 17.916 ( 4.870 0.000 -6.575) 8.182 18.896 ( -7.019 0.000 13.119) 14.879 19.086 ( -3.460 0.000 -6.999) 7.807 19.365 ( -0.094 0.000 0.014) 0.095 19.366 ( -0.098 0.000 -0.014) 0.099 19.580 ( 0.991 0.000 1.402) 1.718 19.607 ( -0.311 0.000 -0.965) 1.014 ======================= Grid point 93 (31/56) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 18.255 0.000 3.801) 18.646 1.160 ( 1.677 0.000 -4.195) 4.518 1.175 ( 19.075 0.000 14.570) 24.003 1.406 ( -6.203 0.000 9.377) 11.243 1.536 ( 9.687 0.000 -18.960) 21.291 1.651 ( -2.232 0.000 -12.825) 13.018 1.916 ( -2.505 0.000 0.563) 2.567 1.933 ( -2.876 0.000 -1.079) 3.071 2.026 ( -10.103 0.000 4.591) 11.097 2.102 ( -1.369 0.000 -2.208) 2.599 2.235 ( 27.166 0.000 18.138) 32.665 2.451 ( -2.977 0.000 0.438) 3.009 2.453 ( 2.259 0.000 14.891) 15.061 2.540 ( -2.723 0.000 4.755) 5.480 2.693 ( -1.831 0.000 -7.808) 8.020 2.771 ( 17.103 0.000 -20.170) 26.445 3.034 ( -9.353 0.000 -0.062) 9.354 3.048 ( -8.490 0.000 -1.046) 8.554 3.217 ( 10.093 0.000 -0.623) 10.113 3.286 ( 7.046 0.000 -5.590) 8.994 3.419 ( 6.765 0.000 9.331) 11.526 3.569 ( 1.496 0.000 0.428) 1.556 3.576 ( 1.411 0.000 -0.200) 1.425 3.659 ( 2.313 0.000 -8.391) 8.704 3.780 ( 1.227 0.000 0.092) 1.231 3.782 ( 1.074 0.000 -0.076) 1.077 3.796 ( -0.466 0.000 2.349) 2.394 3.843 ( 3.218 0.000 -4.678) 5.678 4.144 ( 5.387 0.000 0.515) 5.411 4.269 ( 6.052 0.000 -7.774) 9.852 4.546 ( -7.882 0.000 6.915) 10.485 4.624 ( -1.694 0.000 4.616) 4.917 4.766 ( 0.725 0.000 14.049) 14.067 5.143 ( 2.793 0.000 -16.042) 16.284 5.695 ( -11.447 0.000 8.439) 14.221 5.864 ( -9.574 0.000 -6.846) 11.770 6.288 ( -1.752 0.000 4.356) 4.695 6.403 ( 0.563 0.000 -3.399) 3.445 6.672 ( 1.764 0.000 5.634) 5.904 6.801 ( 3.180 0.000 -4.370) 5.404 6.904 ( 1.720 0.000 0.763) 1.881 6.923 ( 1.375 0.000 -0.913) 1.650 7.124 ( -6.062 0.000 1.235) 6.186 7.151 ( -6.283 0.000 -1.148) 6.387 7.680 ( -3.419 0.000 1.092) 3.589 7.718 ( -6.406 0.000 -2.022) 6.717 8.412 ( 3.324 0.000 4.340) 5.466 8.486 ( 6.236 0.000 0.448) 6.252 8.509 ( 5.626 0.000 -1.226) 5.758 8.552 ( 4.934 0.000 -4.893) 6.949 8.609 ( 6.762 0.000 3.773) 7.743 8.681 ( 8.656 0.000 -2.209) 8.934 8.733 ( 9.560 0.000 0.805) 9.594 8.803 ( 14.351 0.000 -3.296) 14.725 8.872 ( -2.633 0.000 0.894) 2.781 8.912 ( -0.521 0.000 -2.797) 2.845 9.290 ( -7.294 0.000 3.476) 8.080 9.353 ( -6.767 0.000 -2.267) 7.137 9.667 ( -3.131 0.000 7.812) 8.416 9.819 ( 6.081 0.000 -6.314) 8.766 9.963 ( 9.979 0.000 14.456) 17.566 10.268 ( 13.359 0.000 -13.996) 19.348 10.485 ( 2.661 0.000 0.002) 2.661 10.486 ( 2.659 0.000 -0.036) 2.659 10.561 ( -9.188 0.000 6.332) 11.158 10.653 ( -8.292 0.000 0.189) 8.294 11.040 ( -3.133 0.000 0.051) 3.134 11.041 ( -3.182 0.000 -0.045) 3.183 11.220 ( -3.211 0.000 5.240) 6.146 11.377 ( -14.560 0.000 -7.296) 16.286 12.092 ( -2.011 0.000 5.027) 5.415 12.099 ( -1.458 0.000 5.847) 6.026 12.261 ( -0.012 0.000 -3.185) 3.185 12.370 ( -0.907 0.000 -10.680) 10.719 12.925 ( -4.879 0.000 3.108) 5.785 12.984 ( -6.726 0.000 -2.925) 7.334 13.219 ( 0.411 0.000 7.649) 7.660 13.336 ( 1.130 0.000 -2.777) 2.998 13.454 ( 0.704 0.000 2.437) 2.537 13.517 ( -1.423 0.000 -2.504) 2.880 15.227 ( 9.664 0.000 7.788) 12.412 15.462 ( 5.818 0.000 -13.807) 14.983 16.247 ( 0.425 0.000 0.005) 0.426 16.247 ( 0.422 0.000 -0.005) 0.422 16.269 ( -6.622 0.000 2.513) 7.082 16.380 ( -7.180 0.000 -6.537) 9.710 17.288 ( 8.089 0.000 17.897) 19.640 17.619 ( 0.817 0.000 -9.081) 9.118 17.833 ( 2.469 0.000 -0.629) 2.548 17.957 ( -0.500 0.000 -8.579) 8.593 18.826 ( -0.708 0.000 11.033) 11.056 18.999 ( -5.035 0.000 -5.800) 7.680 19.363 ( -0.117 0.000 0.010) 0.117 19.363 ( -0.123 0.000 -0.010) 0.124 19.597 ( 0.680 0.000 0.346) 0.763 19.601 ( -0.232 0.000 0.090) 0.248 ======================= Grid point 94 (32/56) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 1.709 0.000 5.293) 5.562 1.228 ( -4.897 0.000 1.632) 5.162 1.502 ( 14.999 0.000 6.818) 16.476 1.519 ( 17.906 0.000 2.583) 18.091 1.664 ( 0.776 0.000 -6.908) 6.952 1.693 ( 6.548 0.000 -11.996) 13.667 1.817 ( -11.481 0.000 3.946) 12.140 1.847 ( -2.638 0.000 -0.789) 2.753 1.876 ( -3.200 0.000 -2.582) 4.112 1.936 ( -14.374 0.000 -6.240) 15.670 2.364 ( 2.483 0.000 7.898) 8.280 2.427 ( -3.750 0.000 2.273) 4.385 2.526 ( 5.517 0.000 8.335) 9.996 2.634 ( -4.970 0.000 -1.260) 5.127 2.872 ( 22.423 0.000 4.988) 22.971 2.902 ( -3.443 0.000 -1.460) 3.740 2.919 ( -4.624 0.000 -2.342) 5.183 3.029 ( 6.054 0.000 -9.703) 11.436 3.388 ( 7.520 0.000 3.729) 8.394 3.419 ( 4.945 0.000 0.671) 4.990 3.567 ( 7.790 0.000 1.163) 7.876 3.586 ( 0.476 0.000 0.253) 0.539 3.589 ( 0.164 0.000 -0.022) 0.165 3.617 ( -4.450 0.000 -2.927) 5.326 3.712 ( -5.278 0.000 6.626) 8.471 3.798 ( 0.549 0.000 0.013) 0.549 3.798 ( 0.511 0.000 -0.009) 0.511 3.812 ( -7.156 0.000 -4.010) 8.203 4.231 ( 5.294 0.000 -1.486) 5.498 4.310 ( -1.764 0.000 -6.614) 6.845 4.437 ( -1.895 0.000 1.791) 2.607 4.496 ( -7.224 0.000 -2.872) 7.773 4.960 ( 14.685 0.000 10.460) 18.029 5.172 ( -4.036 0.000 -8.352) 9.276 5.534 ( -1.529 0.000 4.003) 4.285 5.660 ( -11.188 0.000 -7.172) 13.289 6.304 ( 3.066 0.000 8.824) 9.341 6.373 ( -3.449 0.000 5.717) 6.677 6.753 ( 5.733 0.000 -3.171) 6.551 6.831 ( -1.360 0.000 -7.067) 7.197 6.946 ( 2.825 0.000 0.564) 2.881 6.961 ( 2.672 0.000 -0.858) 2.807 7.024 ( -4.267 0.000 1.067) 4.399 7.044 ( -4.871 0.000 -0.793) 4.935 7.625 ( -2.051 0.000 1.023) 2.292 7.628 ( -2.457 0.000 0.838) 2.596 8.476 ( 4.121 0.000 6.667) 7.838 8.555 ( -3.309 0.000 3.995) 5.187 8.581 ( 4.322 0.000 1.142) 4.470 8.607 ( 3.335 0.000 -0.829) 3.436 8.687 ( 1.345 0.000 1.929) 2.352 8.741 ( -3.025 0.000 -2.628) 4.007 8.911 ( 7.609 0.000 2.229) 7.929 8.914 ( 9.012 0.000 -8.371) 12.300 8.971 ( 5.253 0.000 -3.587) 6.361 8.996 ( 2.787 0.000 -12.407) 12.716 9.146 ( -6.300 0.000 3.713) 7.312 9.204 ( -8.535 0.000 -1.932) 8.751 9.662 ( 4.296 0.000 14.314) 14.945 9.805 ( -7.969 0.000 4.294) 9.052 10.169 ( 13.290 0.000 4.829) 14.140 10.372 ( -5.944 0.000 -6.230) 8.611 10.491 ( 4.303 0.000 -2.319) 4.888 10.528 ( 1.449 0.000 0.005) 1.449 10.528 ( 1.426 0.000 -0.016) 1.426 10.567 ( -3.085 0.000 -5.178) 6.027 10.991 ( -1.642 0.000 0.012) 1.642 10.992 ( -1.676 0.000 -0.013) 1.676 11.163 ( -2.618 0.000 0.708) 2.712 11.181 ( -5.765 0.000 -0.722) 5.810 12.059 ( 0.414 0.000 7.190) 7.201 12.086 ( -1.554 0.000 7.178) 7.344 12.283 ( 2.415 0.000 -6.641) 7.067 12.336 ( -2.721 0.000 -9.206) 9.600 12.870 ( -0.884 0.000 -0.352) 0.952 12.891 ( -3.080 0.000 -2.364) 3.882 13.250 ( 2.851 0.000 7.804) 8.309 13.311 ( -3.074 0.000 3.078) 4.350 13.477 ( 1.403 0.000 -1.913) 2.372 13.497 ( -0.826 0.000 -2.494) 2.627 15.395 ( 7.957 0.000 4.905) 9.347 15.498 ( -2.165 0.000 -3.716) 4.301 16.191 ( -0.686 0.000 -1.954) 2.071 16.249 ( -6.032 0.000 -6.187) 8.641 16.253 ( 0.186 0.000 -0.002) 0.186 16.253 ( 0.191 0.000 0.002) 0.191 17.445 ( 8.306 0.000 13.985) 16.265 17.577 ( -5.191 0.000 5.967) 7.909 17.876 ( 2.360 0.000 -8.807) 9.118 17.922 ( -2.510 0.000 -9.795) 10.111 18.850 ( 2.678 0.000 4.768) 5.469 18.913 ( -4.015 0.000 -1.288) 4.216 19.362 ( -0.058 0.000 -0.003) 0.058 19.362 ( -0.049 0.000 0.003) 0.049 19.600 ( 0.131 0.000 0.278) 0.307 19.603 ( -0.028 0.000 0.026) 0.038 ======================= Grid point 98 (33/56) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 16.931 19.751) 26.014 0.850 ( 0.000 17.468 21.351) 27.586 1.253 ( 0.000 8.073 -21.476) 22.943 1.378 ( 0.000 6.808 -26.746) 27.599 1.657 ( 0.000 17.739 20.827) 27.358 1.756 ( 0.000 27.436 13.598) 30.621 1.803 ( 0.000 -0.145 -5.697) 5.699 2.055 ( 0.000 1.299 8.077) 8.180 2.119 ( 0.000 9.048 -2.331) 9.343 2.184 ( 0.000 4.567 -0.355) 4.581 2.190 ( 0.000 14.568 7.960) 16.601 2.485 ( 0.000 8.252 10.131) 13.066 2.570 ( 0.000 26.285 -28.143) 38.509 2.713 ( 0.000 4.044 3.592) 5.409 2.819 ( 0.000 4.619 -7.243) 8.591 2.878 ( 0.000 2.237 -8.465) 8.756 2.937 ( 0.000 5.161 2.586) 5.773 3.153 ( 0.000 -1.460 -12.910) 12.992 3.207 ( 0.000 -4.762 5.990) 7.653 3.292 ( 0.000 -3.012 -1.676) 3.447 3.351 ( 0.000 2.822 -0.548) 2.875 3.373 ( 0.000 0.199 -3.616) 3.621 3.645 ( 0.000 10.622 10.901) 15.220 3.730 ( 0.000 15.132 2.403) 15.322 3.775 ( 0.000 15.998 2.019) 16.124 3.795 ( 0.000 4.768 2.696) 5.477 3.836 ( 0.000 13.380 -4.925) 14.258 3.843 ( 0.000 18.638 -0.809) 18.656 3.989 ( 0.000 19.137 5.093) 19.803 4.156 ( 0.000 14.500 -7.792) 16.461 4.614 ( 0.000 2.987 18.702) 18.940 4.727 ( 0.000 -1.451 3.922) 4.182 4.795 ( 0.000 0.536 10.769) 10.782 5.133 ( 0.000 3.244 -14.169) 14.536 5.980 ( 0.000 0.447 2.134) 2.181 5.991 ( 0.000 -0.720 0.346) 0.799 6.333 ( 0.000 -0.642 -0.218) 0.678 6.385 ( 0.000 -2.013 -6.530) 6.833 6.743 ( 0.000 -1.792 4.643) 4.977 6.776 ( 0.000 -1.308 0.455) 1.385 7.029 ( 0.000 14.234 0.921) 14.264 7.051 ( 0.000 13.633 -1.010) 13.671 7.532 ( 0.000 18.706 2.639) 18.892 7.620 ( 0.000 4.633 -3.939) 6.081 7.682 ( 0.000 0.882 -1.617) 1.842 7.760 ( 0.000 -10.073 -5.596) 11.523 8.127 ( 0.000 -0.375 2.407) 2.436 8.173 ( 0.000 -3.637 -2.283) 4.295 8.376 ( 0.000 0.214 0.125) 0.248 8.378 ( 0.000 6.458 -3.113) 7.169 8.468 ( 0.000 0.967 2.561) 2.737 8.508 ( 0.000 3.930 -0.248) 3.938 8.589 ( 0.000 7.963 -0.897) 8.013 8.607 ( 0.000 1.640 -2.917) 3.347 9.079 ( 0.000 12.062 -0.121) 12.062 9.082 ( 0.000 11.419 -0.400) 11.426 9.352 ( 0.000 -7.991 3.734) 8.820 9.430 ( 0.000 -0.780 -3.137) 3.233 9.591 ( 0.000 2.755 8.968) 9.382 9.716 ( 0.000 -0.005 -0.899) 0.899 9.774 ( 0.000 0.969 1.778) 2.025 9.865 ( 0.000 9.359 -5.468) 10.839 10.353 ( 0.000 -3.853 5.429) 6.657 10.440 ( 0.000 1.506 -2.487) 2.907 10.811 ( 0.000 1.616 8.548) 8.699 11.011 ( 0.000 1.698 -10.487) 10.623 11.067 ( 0.000 -3.861 0.001) 3.861 11.076 ( 0.000 -3.241 -0.401) 3.266 11.712 ( 0.000 0.624 11.120) 11.138 11.883 ( 0.000 0.512 -4.107) 4.139 12.275 ( 0.000 0.085 0.301) 0.313 12.301 ( 0.000 4.098 -1.850) 4.496 12.352 ( 0.000 8.475 0.226) 8.478 12.388 ( 0.000 10.819 -5.049) 11.939 12.974 ( 0.000 -14.614 4.429) 15.270 13.037 ( 0.000 -10.579 -2.345) 10.835 13.223 ( 0.000 1.740 1.722) 2.448 13.268 ( 0.000 1.907 -2.581) 3.209 13.460 ( 0.000 1.441 5.791) 5.968 13.567 ( 0.000 0.829 -4.105) 4.188 14.306 ( 0.000 -29.268 39.205) 48.925 14.773 ( 0.000 -16.399 -9.752) 19.079 15.556 ( 0.000 -17.940 2.301) 18.087 15.630 ( 0.000 -28.626 -4.008) 28.905 16.496 ( 0.000 -15.143 4.195) 15.714 16.626 ( 0.000 -13.861 -8.670) 16.349 17.223 ( 0.000 -6.296 20.756) 21.690 17.561 ( 0.000 -18.822 0.621) 18.832 17.721 ( 0.000 -10.527 -4.575) 11.478 17.807 ( 0.000 0.893 -25.336) 25.352 18.678 ( 0.000 -25.429 4.886) 25.894 18.820 ( 0.000 -24.313 -9.635) 26.152 19.815 ( 0.000 33.610 0.826) 33.620 19.830 ( 0.000 33.898 -0.597) 33.903 19.904 ( 0.000 27.997 1.935) 28.063 20.011 ( 0.000 37.677 -10.679) 39.162 ======================= Grid point 99 (34/56) ======================= q-point: ( 0.14 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 9.373 12.946 15.429) 22.215 0.969 ( 11.715 14.319 16.803) 24.992 1.246 ( -2.034 7.338 -17.565) 19.145 1.404 ( 2.490 3.357 -22.732) 23.113 1.687 ( -2.929 5.165 1.982) 6.260 1.758 ( 0.411 3.529 -2.514) 4.352 1.921 ( 17.097 29.905 20.233) 39.950 2.018 ( -3.050 1.696 3.118) 4.680 2.090 ( -1.409 3.907 2.411) 4.803 2.176 ( -0.159 10.628 4.461) 11.527 2.195 ( -0.971 12.291 7.151) 14.253 2.507 ( 2.705 7.077 12.929) 14.985 2.630 ( 2.369 20.472 -21.913) 30.081 2.676 ( -4.029 6.212 0.933) 7.463 2.736 ( -1.413 7.375 -7.660) 10.727 2.788 ( -2.171 5.430 -9.173) 10.878 3.033 ( 6.814 2.645 1.353) 7.434 3.175 ( 1.885 2.793 -9.540) 10.117 3.232 ( 3.070 -1.842 7.393) 8.214 3.307 ( -3.965 5.819 1.126) 7.131 3.376 ( -0.481 5.317 -4.786) 7.170 3.433 ( 3.679 -4.573 -9.117) 10.843 3.636 ( 2.254 10.042 6.706) 12.284 3.715 ( 0.139 12.159 -0.882) 12.191 3.793 ( 1.044 6.361 4.609) 7.925 3.839 ( 3.879 9.998 2.307) 10.969 3.962 ( 9.266 16.053 -3.230) 18.814 4.003 ( 10.260 18.313 -3.743) 21.322 4.065 ( 10.991 10.614 1.650) 15.369 4.193 ( 2.986 12.113 -6.652) 14.139 4.613 ( -0.352 0.739 14.705) 14.727 4.662 ( -4.564 2.168 8.030) 9.487 4.813 ( -0.515 1.240 9.520) 9.614 5.142 ( 0.822 3.181 -13.697) 14.086 5.885 ( -7.985 0.591 4.885) 9.379 5.981 ( -3.008 0.016 -3.028) 4.269 6.332 ( -4.483 -2.061 -2.980) 5.765 6.354 ( 1.743 -1.076 -3.039) 3.665 6.666 ( -6.154 -2.557 6.017) 8.978 6.733 ( -3.537 -3.204 -1.079) 4.893 7.040 ( 1.371 14.459 0.971) 14.556 7.060 ( 0.936 13.931 -0.813) 13.986 7.440 ( -8.259 12.912 3.015) 15.621 7.508 ( -9.367 15.705 -3.606) 18.638 7.669 ( -0.666 -3.794 0.593) 3.897 7.725 ( -3.661 -8.942 -4.255) 10.558 8.199 ( 5.903 -5.293 1.363) 8.045 8.223 ( 4.515 -6.339 -0.927) 7.837 8.434 ( 6.007 1.032 0.884) 6.159 8.464 ( 7.578 0.424 -2.080) 7.870 8.535 ( 6.081 1.284 0.395) 6.228 8.545 ( 4.083 3.983 0.406) 5.718 8.632 ( 3.605 4.461 -1.191) 5.858 8.644 ( 4.985 4.081 -2.313) 6.845 9.063 ( -1.933 12.737 0.573) 12.896 9.077 ( -1.387 12.329 -0.785) 12.431 9.348 ( -0.801 -6.135 2.161) 6.554 9.402 ( -3.138 -0.770 -2.884) 4.331 9.707 ( 2.773 -3.590 6.478) 7.908 9.729 ( 6.297 2.103 9.475) 11.569 9.794 ( 1.781 3.147 -2.361) 4.318 9.950 ( 10.369 2.424 -5.935) 12.190 10.367 ( 1.904 -3.321 2.433) 4.536 10.443 ( 0.204 0.196 -3.133) 3.146 10.760 ( -5.415 2.340 9.564) 11.237 10.968 ( -4.124 3.695 -9.508) 11.003 11.047 ( -2.015 -3.735 0.587) 4.285 11.066 ( -2.022 -1.458 -2.242) 3.353 11.524 ( -12.114 9.991 14.982) 21.703 11.755 ( -12.467 5.055 -6.470) 14.928 12.185 ( -3.825 8.473 3.819) 10.050 12.241 ( -4.831 5.276 -2.490) 7.575 12.298 ( -0.007 4.466 2.709) 5.224 12.441 ( 0.431 6.115 -9.883) 11.630 12.903 ( -6.260 -13.383 5.217) 15.669 12.981 ( -6.036 -11.846 -2.890) 13.606 13.229 ( -0.458 1.262 4.663) 4.853 13.309 ( 3.966 3.175 -3.152) 5.979 13.468 ( 0.375 1.972 4.665) 5.079 13.555 ( -1.109 1.017 -3.389) 3.708 14.714 ( 24.660 -32.012 11.225) 41.939 14.914 ( 15.251 -18.817 -7.487) 25.352 15.583 ( 4.389 -23.284 7.829) 24.954 15.715 ( 7.666 -23.891 -4.102) 25.424 16.470 ( -2.943 -14.075 3.459) 14.789 16.592 ( -3.915 -9.039 -8.221) 12.830 17.186 ( -2.273 -9.948 17.667) 20.402 17.520 ( -4.612 -15.740 -7.337) 17.968 17.719 ( 3.050 -6.902 -0.824) 7.591 17.893 ( 4.721 -5.379 -16.701) 18.170 18.613 ( -5.611 -22.807 8.526) 24.987 18.776 ( -4.133 -23.299 -7.609) 24.856 19.812 ( -0.249 33.710 0.581) 33.716 19.822 ( -0.876 34.391 -0.356) 34.404 19.878 ( -2.363 26.460 1.330) 26.599 19.930 ( -5.580 33.130 -3.988) 33.832 ======================= Grid point 100 (35/56) ======================= q-point: ( 0.29 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 5.929 -2.436 6.677) 9.256 1.152 ( -3.880 0.591 -1.621) 4.246 1.261 ( 15.692 10.074 5.549) 19.455 1.486 ( 6.708 1.187 -13.325) 14.966 1.632 ( -0.711 13.885 5.381) 14.909 1.812 ( 4.327 11.778 -10.024) 16.060 1.925 ( -6.752 -2.944 3.176) 8.022 1.987 ( -1.552 -0.737 -2.766) 3.256 2.104 ( -5.925 9.991 2.973) 11.990 2.141 ( -0.740 10.444 0.362) 10.476 2.427 ( 4.305 15.518 9.594) 18.746 2.505 ( -7.189 5.043 1.934) 8.992 2.562 ( 11.640 14.075 11.324) 21.490 2.639 ( 5.848 8.549 6.626) 12.296 2.797 ( 3.858 6.584 -6.686) 10.145 2.927 ( 8.356 16.969 -14.834) 24.038 3.123 ( -2.090 7.987 -0.016) 8.256 3.147 ( -1.117 10.449 -2.069) 10.710 3.249 ( 6.746 1.678 3.723) 7.886 3.359 ( 4.955 5.073 -6.097) 9.352 3.360 ( 2.836 0.230 2.924) 4.080 3.500 ( 3.056 -4.505 -6.967) 8.841 3.693 ( 2.690 9.295 -0.516) 9.690 3.728 ( 0.735 7.905 -2.848) 8.434 3.814 ( 0.318 7.177 4.987) 8.745 3.884 ( 0.235 11.328 -1.223) 11.396 4.076 ( 2.231 19.150 3.026) 19.515 4.128 ( 5.704 20.059 -2.681) 21.026 4.239 ( 2.540 10.245 -2.217) 10.786 4.306 ( 8.023 5.812 -5.997) 11.581 4.556 ( -4.722 2.902 5.579) 7.864 4.626 ( -3.099 1.366 1.155) 3.578 4.792 ( 3.541 4.718 18.806) 19.709 5.168 ( 2.441 2.987 -14.813) 15.307 5.701 ( -11.126 1.078 7.779) 13.618 5.869 ( -8.917 1.061 -7.541) 11.726 6.260 ( -2.118 -2.247 4.740) 5.657 6.375 ( -0.703 -2.174 -2.868) 3.667 6.590 ( -0.444 -6.355 4.345) 7.711 6.695 ( -0.225 -7.489 -3.360) 8.211 7.068 ( 1.065 13.730 0.736) 13.791 7.090 ( 2.141 14.069 -1.329) 14.293 7.286 ( -7.007 9.644 3.734) 12.492 7.348 ( -7.445 14.511 -1.452) 16.374 7.642 ( -3.161 -5.265 -0.680) 6.178 7.657 ( -1.563 0.479 -1.678) 2.343 8.263 ( 0.974 -9.339 0.807) 9.424 8.301 ( 2.762 -11.660 -1.838) 12.123 8.552 ( 5.933 0.397 3.630) 6.967 8.600 ( 5.552 -3.858 0.949) 6.828 8.647 ( 6.282 4.973 0.584) 8.033 8.669 ( 6.458 3.932 -2.941) 8.112 8.760 ( 10.761 -2.441 -1.643) 11.156 8.786 ( 8.781 2.100 -3.612) 9.724 9.001 ( -4.061 11.520 2.721) 12.514 9.036 ( -2.315 10.764 -0.971) 11.053 9.308 ( -4.069 1.190 0.297) 4.250 9.328 ( -3.959 -1.562 -1.890) 4.657 9.641 ( -3.609 -2.806 8.808) 9.924 9.816 ( 0.795 -1.323 -6.492) 6.673 9.949 ( 10.628 0.194 13.667) 17.314 10.158 ( 9.669 -4.208 -3.275) 11.042 10.413 ( 1.205 -2.258 -0.793) 2.680 10.476 ( 5.030 -0.226 -7.018) 8.637 10.629 ( -7.434 3.605 10.438) 13.311 10.864 ( -7.239 7.365 -11.264) 15.281 11.001 ( -3.265 -0.721 -0.139) 3.347 11.002 ( -2.697 -2.507 0.051) 3.682 11.413 ( -1.360 13.842 7.368) 15.739 11.527 ( -9.779 13.067 -3.035) 16.601 12.143 ( -3.169 5.705 1.565) 6.711 12.158 ( -2.248 5.227 1.307) 5.838 12.310 ( 1.363 6.757 1.632) 7.083 12.443 ( -0.580 6.588 -8.946) 11.125 12.786 ( -5.311 -13.501 2.551) 14.730 12.847 ( -7.039 -12.501 -3.671) 14.809 13.227 ( 0.784 1.333 8.960) 9.092 13.362 ( 0.630 2.578 -3.174) 4.137 13.478 ( 1.135 2.514 2.069) 3.448 13.536 ( -0.690 1.985 -2.286) 3.105 14.979 ( 8.889 -21.765 6.265) 24.331 15.175 ( 6.687 -22.968 -12.291) 26.894 15.752 ( 12.626 -23.681 8.219) 28.066 15.881 ( 9.495 -18.848 -3.221) 21.349 16.383 ( -6.213 -10.882 2.370) 12.753 16.481 ( -7.641 -2.591 -6.045) 10.082 17.183 ( 2.222 -15.087 14.122) 20.784 17.438 ( -3.961 -17.097 -6.345) 18.662 17.785 ( 3.159 -7.149 0.814) 7.858 17.931 ( -0.799 -5.093 -12.165) 13.213 18.533 ( -1.888 -22.146 9.753) 24.272 18.688 ( -4.873 -22.592 -5.519) 23.761 19.804 ( -0.770 32.516 0.299) 32.526 19.807 ( -0.179 32.899 0.017) 32.899 19.836 ( -1.878 24.307 1.006) 24.400 19.859 ( -2.328 27.240 -1.032) 27.359 ======================= Grid point 101 (36/56) ======================= q-point: ( 0.43 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -1.651 -6.928 2.374) 7.507 1.090 ( -1.431 -8.992 1.889) 9.299 1.557 ( 12.932 4.192 1.422) 13.669 1.657 ( 10.336 1.385 -8.087) 13.197 1.700 ( 5.828 12.057 7.068) 15.142 1.794 ( -4.195 4.277 4.510) 7.499 1.842 ( -3.137 9.686 -3.619) 10.805 1.926 ( -9.387 4.590 -3.006) 10.873 2.024 ( 0.840 10.303 -2.096) 10.548 2.079 ( -4.729 13.111 -5.759) 15.080 2.337 ( -1.311 4.434 4.312) 6.322 2.390 ( -5.465 3.108 -0.361) 6.297 2.733 ( 6.633 10.987 6.156) 14.235 2.810 ( 5.604 5.624 -0.738) 7.973 2.857 ( -5.105 12.929 3.909) 14.440 2.910 ( -5.217 8.005 -1.468) 9.667 3.183 ( 13.602 16.602 1.145) 21.493 3.266 ( 4.850 13.410 -5.972) 15.460 3.378 ( 3.341 -1.083 2.643) 4.395 3.411 ( 0.627 -0.270 -0.297) 0.745 3.498 ( 12.322 1.402 3.831) 12.980 3.565 ( 4.801 -1.286 -2.939) 5.774 3.721 ( -0.608 9.732 0.793) 9.783 3.739 ( 0.276 9.680 -1.060) 9.742 3.763 ( -4.586 8.486 -0.547) 9.662 3.804 ( -9.629 14.219 0.391) 17.177 4.116 ( 2.768 21.332 1.021) 21.535 4.165 ( -1.401 21.262 -2.827) 21.494 4.308 ( 5.547 9.968 -0.906) 11.444 4.367 ( 0.119 6.279 -3.938) 7.413 4.455 ( -4.289 3.150 1.525) 5.536 4.503 ( -7.178 2.634 -1.857) 7.868 5.003 ( 14.727 4.838 9.756) 18.316 5.205 ( -2.849 3.719 -8.208) 9.451 5.539 ( -1.816 0.815 4.055) 4.517 5.669 ( -11.392 1.165 -7.585) 13.736 6.265 ( 2.289 -3.067 8.848) 9.640 6.326 ( -3.673 -3.592 6.385) 8.195 6.641 ( 4.168 -8.526 -3.687) 10.182 6.694 ( -1.012 -9.374 -5.467) 10.898 7.082 ( 0.769 9.160 0.861) 9.233 7.103 ( -1.040 8.058 -1.124) 8.202 7.208 ( -1.049 14.590 1.366) 14.692 7.238 ( -4.021 14.791 -1.209) 15.375 7.614 ( 0.607 1.620 1.242) 2.129 7.637 ( -1.179 4.145 -0.844) 4.391 8.278 ( 1.475 -13.383 2.366) 13.671 8.313 ( -1.326 -14.846 0.121) 14.905 8.625 ( 2.220 -0.722 5.381) 5.866 8.653 ( 0.175 -1.667 3.743) 4.101 8.752 ( 5.425 7.487 -1.671) 9.395 8.804 ( 4.593 2.041 -6.605) 8.300 8.881 ( 0.320 -0.729 1.864) 2.027 8.902 ( 2.714 -6.256 -3.927) 7.869 8.975 ( 3.416 5.717 -3.178) 7.379 9.015 ( -0.805 3.571 -4.247) 5.607 9.230 ( -2.855 5.237 0.233) 5.970 9.248 ( -4.185 5.301 -2.058) 7.061 9.634 ( 4.069 -2.349 11.030) 11.989 9.761 ( -6.983 -3.666 0.916) 7.940 10.162 ( 12.307 -0.712 6.484) 13.928 10.273 ( 2.539 -3.488 0.113) 4.315 10.435 ( -0.030 -1.553 0.752) 1.726 10.467 ( -6.095 -1.050 1.210) 6.302 10.608 ( 4.597 2.633 -5.272) 7.474 10.711 ( -7.579 3.529 -9.767) 12.856 10.965 ( -0.321 -1.607 -0.001) 1.639 10.972 ( -0.837 -0.441 -0.705) 1.180 11.399 ( -0.786 18.006 3.108) 18.289 11.410 ( -2.965 19.241 1.930) 19.563 12.103 ( -0.013 5.240 3.706) 6.419 12.128 ( -1.815 4.109 2.932) 5.364 12.350 ( 2.897 7.474 -2.852) 8.508 12.409 ( -2.929 7.052 -6.780) 10.212 12.726 ( -0.966 -13.741 -0.470) 13.783 12.748 ( -3.299 -13.264 -2.764) 13.944 13.265 ( 3.182 1.723 8.104) 8.875 13.330 ( -3.261 1.989 3.031) 4.876 13.509 ( 1.629 3.163 -2.185) 4.175 13.528 ( -0.463 3.072 -2.618) 4.063 15.113 ( 5.809 -22.356 3.603) 23.377 15.195 ( -2.626 -23.127 -3.484) 23.535 15.972 ( 9.653 -16.012 -0.625) 18.707 16.037 ( 5.040 -15.418 -5.052) 16.989 16.267 ( -3.986 -6.238 3.067) 8.013 16.328 ( -7.962 -2.231 -2.153) 8.544 17.259 ( 5.346 -18.426 9.577) 21.443 17.359 ( -4.864 -19.423 1.821) 20.106 17.833 ( 2.335 -6.369 -3.658) 7.707 17.885 ( -3.190 -5.264 -8.062) 10.143 18.544 ( 2.435 -22.568 4.311) 23.104 18.605 ( -3.915 -22.466 -1.555) 22.858 19.799 ( 0.231 28.437 0.603) 28.444 19.810 ( 0.524 29.872 -0.364) 29.879 19.810 ( -0.948 25.478 0.886) 25.511 19.827 ( -1.300 27.380 -0.632) 27.418 ======================= Grid point 105 (37/56) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 16.908 10.254) 19.774 1.274 ( 0.000 22.511 5.453) 23.162 1.432 ( 0.000 8.333 -12.379) 14.922 1.548 ( 0.000 9.542 -16.556) 19.109 1.664 ( 0.000 -0.464 6.667) 6.683 1.794 ( 0.000 0.092 -5.650) 5.651 2.027 ( 0.000 -1.062 6.451) 6.538 2.099 ( 0.000 -2.307 -1.210) 2.605 2.443 ( 0.000 8.455 12.131) 14.787 2.470 ( 0.000 17.691 3.799) 18.094 2.660 ( 0.000 12.253 2.449) 12.496 2.781 ( 0.000 45.757 16.768) 48.733 2.840 ( 0.000 8.406 0.832) 8.447 2.891 ( 0.000 4.446 -6.691) 8.034 2.996 ( 0.000 10.359 -5.482) 11.720 3.066 ( 0.000 5.531 6.421) 8.474 3.137 ( 0.000 12.368 -12.368) 17.491 3.249 ( 0.000 10.891 -7.558) 13.257 3.266 ( 0.000 13.077 1.760) 13.195 3.328 ( 0.000 8.629 -4.369) 9.672 3.398 ( 0.000 2.436 -2.254) 3.319 3.432 ( 0.000 17.366 -13.410) 21.942 3.785 ( 0.000 -3.559 9.529) 10.172 3.829 ( 0.000 6.417 12.629) 14.166 4.004 ( 0.000 4.448 -8.699) 9.770 4.034 ( 0.000 10.374 -5.092) 11.556 4.205 ( 0.000 21.869 4.527) 22.332 4.314 ( 0.000 24.150 -2.031) 24.236 4.409 ( 0.000 22.183 2.289) 22.301 4.526 ( 0.000 21.333 -5.332) 21.989 4.730 ( 0.000 14.397 11.925) 18.694 4.881 ( 0.000 14.891 -2.694) 15.133 4.990 ( 0.000 16.518 14.430) 21.933 5.248 ( 0.000 8.313 -8.812) 12.115 5.979 ( 0.000 -0.479 2.410) 2.457 6.034 ( 0.000 4.871 -1.464) 5.086 6.317 ( 0.000 -1.029 -1.367) 1.711 6.335 ( 0.000 -2.930 -5.305) 6.060 6.709 ( 0.000 -1.499 5.775) 5.967 6.761 ( 0.000 0.160 -0.104) 0.191 7.347 ( 0.000 8.326 -0.569) 8.345 7.349 ( 0.000 2.796 -1.216) 3.049 7.455 ( 0.000 2.261 2.900) 3.677 7.515 ( 0.000 -4.702 -2.861) 5.504 7.750 ( 0.000 -2.344 -1.819) 2.967 7.761 ( 0.000 -1.107 -2.142) 2.411 8.159 ( 0.000 2.842 2.691) 3.914 8.181 ( 0.000 5.185 -0.046) 5.185 8.370 ( 0.000 -0.206 3.022) 3.029 8.423 ( 0.000 -1.865 -2.419) 3.055 8.535 ( 0.000 6.070 2.644) 6.621 8.610 ( 0.000 4.391 -3.530) 5.634 8.654 ( 0.000 3.177 3.311) 4.589 8.761 ( 0.000 8.289 -6.185) 10.342 9.248 ( 0.000 -1.130 5.252) 5.373 9.299 ( 0.000 7.173 1.427) 7.314 9.316 ( 0.000 8.700 -0.223) 8.703 9.403 ( 0.000 -1.754 -8.913) 9.084 9.683 ( 0.000 7.881 6.856) 10.446 9.780 ( 0.000 4.721 -3.332) 5.778 9.806 ( 0.000 2.284 10.582) 10.825 10.015 ( 0.000 7.818 -3.193) 8.444 10.341 ( 0.000 2.967 3.029) 4.240 10.490 ( 0.000 3.733 -6.495) 7.491 10.825 ( 0.000 -0.577 9.640) 9.658 10.984 ( 0.000 -3.093 2.016) 3.692 11.033 ( 0.000 0.025 -2.026) 2.026 11.037 ( 0.000 -0.198 -10.512) 10.513 11.700 ( 0.000 -1.948 10.119) 10.305 11.855 ( 0.000 -3.037 -3.850) 4.904 12.209 ( 0.000 -10.986 2.728) 11.320 12.281 ( 0.000 -9.724 -3.535) 10.347 12.497 ( 0.000 -0.041 6.005) 6.005 12.588 ( 0.000 13.481 -1.913) 13.616 12.816 ( 0.000 6.707 0.179) 6.709 12.877 ( 0.000 0.692 -5.241) 5.287 13.308 ( 0.000 6.363 2.592) 6.870 13.321 ( 0.000 1.696 2.395) 2.935 13.518 ( 0.000 5.515 1.615) 5.747 13.584 ( 0.000 0.658 -3.403) 3.466 14.156 ( 0.000 5.793 14.082) 15.227 14.475 ( 0.000 -10.472 -14.281) 17.709 15.191 ( 0.000 -17.901 1.682) 17.979 15.213 ( 0.000 -18.614 -0.566) 18.622 16.058 ( 0.000 -36.654 -1.695) 36.694 16.060 ( 0.000 -27.157 -1.485) 27.198 17.021 ( 0.000 -14.123 11.041) 17.926 17.111 ( 0.000 -24.107 1.786) 24.173 17.432 ( 0.000 -18.507 -0.437) 18.513 17.565 ( 0.000 -19.325 -10.950) 22.212 18.099 ( 0.000 -31.398 5.708) 31.913 18.237 ( 0.000 -31.939 -7.062) 32.710 20.534 ( 0.000 37.039 0.719) 37.046 20.547 ( 0.000 36.636 -0.062) 36.636 20.579 ( 0.000 36.454 4.627) 36.747 20.734 ( 0.000 33.779 -9.319) 35.041 ======================= Grid point 106 (38/56) ======================= q-point: ( 0.14 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -3.404 10.407 9.668) 14.606 1.357 ( 4.833 20.360 4.048) 21.314 1.387 ( -6.228 6.398 -10.673) 13.915 1.532 ( 2.558 9.945 -10.799) 14.902 1.723 ( 6.024 2.814 3.460) 7.495 1.805 ( 5.240 1.604 -3.592) 6.552 2.026 ( -2.846 -0.363 2.568) 3.850 2.056 ( -2.547 1.150 -1.261) 3.066 2.376 ( -3.041 9.339 9.571) 13.714 2.443 ( -3.829 14.733 2.032) 15.358 2.706 ( 3.352 12.587 2.660) 13.295 2.771 ( -3.905 13.392 3.260) 14.325 2.791 ( -4.218 9.862 -1.814) 10.879 2.857 ( -2.008 8.958 -3.673) 9.888 2.943 ( 3.576 31.956 12.324) 34.437 3.152 ( 5.837 5.219 2.603) 8.251 3.230 ( 6.669 12.371 -5.190) 14.982 3.306 ( 5.976 7.375 -0.911) 9.536 3.321 ( 3.193 18.180 -6.211) 19.475 3.409 ( 3.547 4.489 -5.367) 7.844 3.411 ( 0.657 9.953 -4.035) 10.760 3.489 ( 4.730 11.700 -12.159) 17.525 3.789 ( 0.842 0.763 9.100) 9.170 3.853 ( 4.071 5.861 10.498) 12.694 3.996 ( -0.565 10.628 -6.706) 12.580 4.054 ( 3.430 6.896 -7.430) 10.702 4.285 ( 8.499 17.876 4.840) 20.377 4.347 ( 2.351 18.663 3.275) 19.093 4.466 ( 4.725 22.334 -3.426) 23.084 4.533 ( 2.008 20.068 -5.228) 20.834 4.732 ( -0.084 15.903 10.291) 18.943 4.861 ( -2.083 15.987 -2.256) 16.279 4.998 ( 0.332 15.920 14.566) 21.581 5.254 ( 0.873 8.263 -8.423) 11.832 5.918 ( -6.428 2.331 3.659) 7.755 6.012 ( -2.413 3.466 -3.791) 5.675 6.284 ( -4.301 -2.728 -2.078) 5.501 6.327 ( 0.690 -1.754 -3.777) 4.221 6.619 ( -8.588 -1.705 5.897) 10.556 6.677 ( -7.708 -1.654 -0.325) 7.890 7.314 ( -4.288 -5.334 0.017) 6.844 7.325 ( -3.213 0.015 -0.742) 3.297 7.441 ( 0.077 10.853 3.347) 11.358 7.520 ( 0.551 2.932 -3.844) 4.866 7.702 ( -4.129 0.567 2.555) 4.888 7.788 ( 1.428 4.320 -5.375) 7.042 8.146 ( -1.168 0.544 1.636) 2.082 8.162 ( -0.026 0.645 -0.124) 0.657 8.437 ( 6.981 -0.792 2.900) 7.601 8.478 ( 4.329 1.404 -0.696) 4.604 8.541 ( 1.964 0.271 2.653) 3.312 8.613 ( 1.480 2.578 -3.701) 4.747 8.703 ( 4.062 4.960 2.926) 7.047 8.800 ( 3.753 8.253 -6.066) 10.909 9.258 ( 1.042 -0.311 2.989) 3.181 9.340 ( 2.156 10.028 0.425) 10.266 9.351 ( 0.971 11.613 -0.609) 11.669 9.374 ( -2.613 -1.440 -6.556) 7.203 9.666 ( -5.043 1.854 7.519) 9.242 9.750 ( 2.166 2.079 2.606) 3.976 9.876 ( 5.026 4.188 6.240) 9.040 10.020 ( 1.745 4.009 0.987) 4.482 10.357 ( 2.402 2.097 -2.016) 3.772 10.468 ( -1.948 2.810 -7.724) 8.447 10.794 ( -3.626 0.482 10.204) 10.840 10.963 ( -3.174 -3.107 -1.916) 4.837 10.999 ( -0.734 0.846 -0.475) 1.217 11.077 ( 1.386 1.364 -9.593) 9.788 11.623 ( -5.828 0.335 10.875) 12.342 11.795 ( -5.338 -1.809 -5.020) 7.548 12.202 ( -0.521 -9.622 3.031) 10.102 12.277 ( -0.365 -8.840 -3.555) 9.535 12.497 ( 0.703 4.433 4.299) 6.215 12.566 ( -1.896 12.356 -1.888) 12.642 12.733 ( -7.691 5.715 2.043) 9.797 12.839 ( -3.992 4.539 -7.830) 9.892 13.281 ( -1.232 3.264 7.430) 8.208 13.388 ( 4.120 4.188 -2.664) 6.451 13.532 ( 0.837 4.889 2.364) 5.495 13.582 ( 0.103 1.702 -2.166) 2.757 14.351 ( 15.947 -5.230 8.990) 19.038 14.585 ( 10.383 -12.518 -12.283) 20.381 15.188 ( 2.896 -17.882 8.394) 19.966 15.320 ( 8.686 -18.572 -3.732) 20.840 16.040 ( -0.983 -28.216 0.711) 28.242 16.118 ( 4.548 -31.814 -6.685) 32.826 16.905 ( -8.380 -17.656 13.311) 23.646 17.115 ( -2.556 -22.001 -4.682) 22.638 17.460 ( 3.188 -18.003 2.932) 18.517 17.615 ( 4.049 -19.975 -9.676) 22.562 18.067 ( -3.051 -30.435 7.056) 31.391 18.215 ( -2.271 -31.219 -6.779) 32.027 20.526 ( -2.827 35.830 2.842) 36.054 20.536 ( -0.408 37.210 0.848) 37.221 20.555 ( -0.980 37.307 0.403) 37.322 20.651 ( -7.557 35.824 -6.474) 37.180 ======================= Grid point 107 (39/56) ======================= q-point: ( 0.29 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -7.286 -1.270 4.703) 8.764 1.136 ( -12.995 -1.639 -4.271) 13.777 1.549 ( 9.368 16.231 0.098) 18.741 1.602 ( 4.496 8.876 -5.265) 11.257 1.865 ( -0.009 4.872 6.512) 8.133 1.877 ( 6.251 7.749 3.614) 10.592 1.991 ( 1.091 3.768 -1.799) 4.316 2.065 ( 4.806 10.275 -7.938) 13.844 2.345 ( -4.534 12.613 3.258) 13.793 2.365 ( -1.100 9.314 2.373) 9.674 2.642 ( -8.193 9.758 1.418) 12.820 2.664 ( -6.343 9.952 0.325) 11.806 2.798 ( 4.902 9.570 0.059) 10.753 2.868 ( 3.296 5.382 -4.353) 7.667 3.159 ( 13.714 24.993 9.525) 30.057 3.196 ( -1.802 5.328 3.873) 6.829 3.258 ( -3.798 0.420 -2.232) 4.426 3.325 ( -0.537 14.264 -1.674) 14.372 3.419 ( 5.740 7.517 2.890) 9.890 3.450 ( 3.929 10.498 -0.760) 11.235 3.465 ( 2.915 8.492 -1.458) 9.096 3.605 ( 8.067 18.986 -12.305) 24.020 3.855 ( 6.240 9.181 5.570) 12.420 3.952 ( 4.175 7.074 5.725) 10.013 3.997 ( -0.045 14.903 -5.040) 15.732 4.128 ( 4.724 9.657 -10.006) 14.686 4.373 ( 1.883 14.584 3.741) 15.174 4.458 ( 3.007 14.016 -2.914) 14.628 4.539 ( 7.708 17.701 3.221) 19.573 4.661 ( 7.833 22.568 -6.064) 24.646 4.719 ( -1.948 15.418 6.037) 16.672 4.804 ( -3.533 17.427 -1.722) 17.864 5.003 ( 2.336 16.255 15.846) 22.820 5.284 ( 2.313 8.977 -10.300) 13.857 5.753 ( -10.583 4.391 6.541) 13.194 5.920 ( -8.186 3.958 -8.720) 12.598 6.214 ( -2.175 -2.297 5.036) 5.947 6.341 ( -0.462 -1.299 -4.888) 5.079 6.455 ( -6.374 -6.213 5.456) 10.440 6.547 ( -4.720 -6.437 -1.973) 8.222 7.196 ( -7.386 -9.788 0.957) 12.299 7.211 ( -7.890 -7.819 -0.300) 11.112 7.474 ( 1.884 14.189 1.264) 14.369 7.512 ( -1.937 6.570 -1.707) 7.059 7.677 ( 3.899 8.898 5.378) 11.104 7.820 ( 2.756 10.078 -7.492) 12.856 8.121 ( -2.010 -1.532 2.365) 3.461 8.166 ( -1.036 -1.564 -1.895) 2.667 8.549 ( 4.631 0.217 2.275) 5.164 8.565 ( 3.918 1.462 1.814) 4.558 8.627 ( 6.435 -6.397 2.181) 9.333 8.687 ( 5.547 -2.517 -2.923) 6.756 8.790 ( 5.289 6.464 1.090) 8.423 8.884 ( 4.552 6.445 -7.370) 10.797 9.250 ( -4.405 8.608 0.950) 9.716 9.295 ( -6.703 11.203 -1.935) 13.198 9.318 ( -3.247 3.811 0.835) 5.076 9.348 ( 1.582 6.476 -1.035) 6.746 9.575 ( -2.356 -2.722 10.413) 11.018 9.763 ( -2.032 -2.933 -4.355) 5.630 9.989 ( 6.999 2.777 10.479) 12.904 10.133 ( 9.232 0.367 0.301) 9.244 10.392 ( 0.194 0.099 -2.138) 2.149 10.491 ( 5.406 1.525 -10.832) 12.202 10.677 ( -8.290 1.341 10.186) 13.202 10.867 ( -7.370 -2.784 -6.157) 9.999 10.982 ( -1.613 1.370 1.654) 2.686 11.060 ( -3.006 3.859 -7.634) 9.067 11.572 ( 1.305 1.242 9.685) 9.851 11.714 ( -2.635 1.850 -3.517) 4.768 12.202 ( 0.874 -7.707 2.961) 8.302 12.276 ( 0.499 -7.101 -3.466) 7.917 12.487 ( -3.936 1.253 0.704) 4.191 12.511 ( -6.390 7.201 -1.203) 9.702 12.606 ( -1.501 13.914 4.857) 14.814 12.762 ( -3.378 11.186 -9.772) 15.232 13.275 ( 0.938 3.268 9.835) 10.407 13.427 ( -0.397 3.438 -4.060) 5.335 13.554 ( 2.013 5.063 1.555) 5.666 13.597 ( 1.392 4.311 -1.399) 4.741 14.579 ( 8.050 -15.242 5.640) 18.137 14.757 ( 4.692 -17.124 -11.169) 20.976 15.350 ( 14.292 -17.641 10.270) 24.918 15.507 ( 10.571 -18.939 -3.888) 22.035 16.015 ( -1.597 -24.105 4.079) 24.500 16.189 ( 1.455 -23.886 -11.968) 26.757 16.777 ( -4.029 -22.858 14.867) 27.564 17.026 ( -6.228 -22.890 -7.975) 25.026 17.526 ( 3.326 -18.210 4.338) 19.012 17.670 ( 0.849 -19.742 -8.425) 21.481 18.014 ( -1.505 -29.049 7.971) 30.160 18.158 ( -3.626 -29.785 -5.697) 30.541 20.451 ( -3.881 35.808 2.166) 36.083 20.506 ( -6.296 36.490 -2.710) 37.128 20.537 ( -0.273 37.533 0.389) 37.536 20.546 ( -0.401 37.651 -0.390) 37.655 ======================= Grid point 108 (40/56) ======================= q-point: ( 0.43 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -2.739 -6.706 1.142) 7.333 0.954 ( -5.825 -5.785 -0.980) 8.268 1.641 ( 2.987 3.240 0.466) 4.431 1.685 ( -0.346 0.415 -3.004) 3.052 1.879 ( 6.417 12.802 5.680) 15.405 1.979 ( -1.456 9.272 -1.898) 9.576 2.039 ( 7.220 14.813 3.700) 16.889 2.156 ( -0.198 13.734 -3.703) 14.226 2.242 ( -1.581 12.345 0.892) 12.477 2.320 ( -5.312 10.531 -3.880) 12.417 2.538 ( -1.519 12.487 2.115) 12.755 2.567 ( -3.955 11.986 -0.628) 12.637 2.897 ( 5.194 6.582 1.370) 8.496 2.938 ( 2.572 5.251 -1.913) 6.152 3.098 ( -4.961 8.774 1.834) 10.245 3.118 ( -5.452 5.880 0.926) 8.072 3.347 ( 3.757 1.000 2.058) 4.399 3.381 ( 1.223 1.502 -0.278) 1.957 3.478 ( 0.318 8.716 2.427) 9.054 3.480 ( 0.463 5.142 0.962) 5.252 3.632 ( 13.689 15.148 -0.192) 20.418 3.741 ( 3.587 16.294 -7.680) 18.367 3.948 ( -1.819 11.283 -0.097) 11.430 3.960 ( -1.677 11.170 -3.355) 11.783 4.029 ( 9.460 18.949 7.795) 22.568 4.192 ( -2.573 21.733 -4.095) 22.265 4.441 ( 5.076 12.637 0.708) 13.637 4.497 ( 5.441 12.034 -3.819) 13.748 4.577 ( -9.781 15.438 4.429) 18.805 4.624 ( -2.753 16.975 0.549) 17.205 4.726 ( 2.829 25.608 -0.110) 25.764 4.781 ( -2.015 24.177 -3.451) 24.505 5.168 ( 13.064 11.656 8.032) 19.263 5.337 ( 0.058 9.854 -6.915) 12.038 5.579 ( -3.507 3.483 4.080) 6.409 5.718 ( -12.334 3.858 -8.311) 15.365 6.210 ( 1.602 -2.160 8.866) 9.265 6.269 ( -4.656 -1.472 7.541) 8.984 6.449 ( 2.923 -10.246 -4.853) 11.708 6.497 ( -1.881 -9.844 -5.068) 11.230 7.082 ( -3.737 -9.090 0.457) 9.839 7.085 ( -4.221 -8.976 0.181) 9.920 7.475 ( -0.041 5.171 0.479) 5.194 7.490 ( -1.068 7.826 -0.786) 7.938 7.814 ( 8.336 15.858 2.859) 18.142 7.881 ( 2.012 17.357 -3.099) 17.746 8.076 ( -1.868 -2.477 1.109) 3.295 8.105 ( -4.505 -1.907 -1.596) 5.146 8.614 ( 1.896 0.181 4.145) 4.562 8.623 ( 1.699 -0.530 3.531) 3.954 8.719 ( 3.688 -7.694 -0.854) 8.575 8.755 ( 0.413 -6.859 -2.445) 7.293 8.896 ( 5.515 6.765 -3.242) 9.310 8.943 ( 1.366 5.465 -6.260) 8.421 9.136 ( -5.002 9.483 1.345) 10.806 9.151 ( -6.293 9.009 -0.337) 10.994 9.315 ( 2.677 3.506 2.880) 5.269 9.368 ( -1.477 5.196 -1.317) 5.560 9.590 ( 4.027 -1.520 5.670) 7.119 9.690 ( -5.387 -3.000 -2.630) 6.704 10.157 ( 10.425 0.400 7.822) 13.039 10.258 ( 2.823 0.614 1.052) 3.075 10.425 ( 0.962 -0.036 1.428) 1.723 10.458 ( -7.296 0.015 1.965) 7.556 10.638 ( 3.412 0.746 -5.386) 6.419 10.713 ( -6.725 -1.485 -7.258) 10.006 10.956 ( -0.133 1.098 0.197) 1.124 10.993 ( -3.563 2.345 -3.570) 5.562 11.633 ( 3.744 2.921 5.384) 7.179 11.683 ( -1.560 3.758 0.938) 4.175 12.243 ( 3.599 -7.462 2.671) 8.705 12.303 ( 2.016 -13.807 -2.428) 14.163 12.354 ( -6.633 11.205 1.461) 13.103 12.392 ( -5.502 2.989 -1.676) 6.482 12.646 ( 3.424 16.180 -0.827) 16.559 12.708 ( -2.974 14.938 -6.638) 16.615 13.319 ( 3.469 3.551 8.328) 9.695 13.387 ( -3.367 3.544 2.916) 5.692 13.597 ( 2.120 5.475 -2.380) 6.335 13.617 ( 0.200 5.757 -2.843) 6.424 14.689 ( 4.597 -18.237 2.870) 19.025 14.760 ( -2.741 -18.866 -3.347) 19.355 15.608 ( 10.135 -19.068 -0.051) 21.594 15.667 ( 4.376 -20.062 -4.255) 20.969 16.011 ( 2.940 -18.046 6.672) 19.463 16.131 ( -7.121 -15.950 -3.961) 17.911 16.785 ( 4.427 -27.373 6.367) 28.450 16.900 ( -6.967 -25.581 -3.593) 26.756 17.581 ( 2.804 -18.601 1.241) 18.852 17.639 ( -3.247 -18.977 -3.782) 19.621 18.029 ( 2.638 -28.488 3.047) 28.772 18.090 ( -3.550 -28.729 -2.461) 29.052 20.403 ( -1.024 35.514 0.683) 35.535 20.418 ( -2.755 35.906 -0.693) 36.019 20.538 ( 0.104 37.568 0.148) 37.568 20.541 ( -0.228 37.582 -0.125) 37.583 ======================= Grid point 112 (41/56) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 8.290 4.487) 9.426 1.477 ( 0.000 -4.615 2.188) 5.107 1.550 ( 0.000 5.013 -5.476) 7.424 1.601 ( 0.000 -4.629 -6.134) 7.685 1.865 ( 0.000 15.674 2.231) 15.832 1.916 ( 0.000 8.562 -3.059) 9.092 2.023 ( 0.000 5.454 3.719) 6.602 2.099 ( 0.000 5.706 -3.801) 6.856 2.537 ( 0.000 2.909 12.800) 13.126 2.714 ( 0.000 6.939 -2.401) 7.343 2.891 ( 0.000 10.290 2.715) 10.642 2.967 ( 0.000 6.391 -5.326) 8.319 3.046 ( 0.000 11.547 4.564) 12.416 3.136 ( 0.000 5.154 3.150) 6.041 3.197 ( 0.000 5.840 -8.358) 10.197 3.213 ( 0.000 4.402 -5.122) 6.754 3.400 ( 0.000 4.538 0.341) 4.551 3.429 ( 0.000 1.893 -2.724) 3.318 3.582 ( 0.000 19.867 0.861) 19.886 3.608 ( 0.000 23.093 -0.981) 23.114 3.643 ( 0.000 2.148 10.185) 10.409 3.781 ( 0.000 29.613 12.891) 32.297 3.889 ( 0.000 2.491 10.361) 10.656 3.932 ( 0.000 -3.573 -13.736) 14.193 4.101 ( 0.000 29.611 -13.873) 32.700 4.160 ( 0.000 3.846 -10.489) 11.172 4.605 ( 0.000 16.747 13.340) 21.411 4.741 ( 0.000 18.648 11.131) 21.717 4.876 ( 0.000 22.205 -9.506) 24.154 4.957 ( 0.000 20.474 -7.195) 21.701 5.126 ( 0.000 21.266 3.965) 21.632 5.199 ( 0.000 14.805 -2.058) 14.948 5.338 ( 0.000 16.327 6.643) 17.627 5.440 ( 0.000 9.971 -3.434) 10.546 5.982 ( 0.000 1.455 7.761) 7.896 6.169 ( 0.000 8.447 -6.398) 10.597 6.265 ( 0.000 -4.174 -3.091) 5.194 6.287 ( 0.000 -2.169 -1.637) 2.717 6.673 ( 0.000 -3.127 8.055) 8.641 6.781 ( 0.000 0.669 -2.555) 2.642 7.113 ( 0.000 -14.184 0.513) 14.193 7.140 ( 0.000 -9.452 -1.827) 9.627 7.602 ( 0.000 -10.819 -1.124) 10.877 7.614 ( 0.000 -5.723 -2.768) 6.358 7.774 ( 0.000 10.958 2.470) 11.233 7.815 ( 0.000 17.369 -1.594) 17.442 8.182 ( 0.000 -2.193 2.086) 3.027 8.228 ( 0.000 -1.345 -2.220) 2.595 8.380 ( 0.000 0.844 2.672) 2.802 8.386 ( 0.000 1.705 1.827) 2.499 8.602 ( 0.000 -3.716 2.490) 4.473 8.647 ( 0.000 2.229 -1.299) 2.580 8.753 ( 0.000 5.781 4.907) 7.583 8.912 ( 0.000 7.343 -10.069) 12.462 9.313 ( 0.000 6.143 1.393) 6.299 9.356 ( 0.000 0.106 1.232) 1.237 9.414 ( 0.000 4.199 -3.215) 5.289 9.424 ( 0.000 4.189 -0.586) 4.230 9.730 ( 0.000 -1.508 4.720) 4.955 9.789 ( 0.000 -1.889 -1.535) 2.434 9.983 ( 0.000 11.361 12.116) 16.609 10.258 ( 0.000 11.302 -11.268) 15.960 10.446 ( 0.000 8.379 5.146) 9.833 10.583 ( 0.000 5.007 -5.629) 7.534 10.768 ( 0.000 -5.202 8.106) 9.632 10.930 ( 0.000 -3.760 -4.863) 6.147 11.022 ( 0.000 0.168 -0.669) 0.690 11.084 ( 0.000 3.993 -3.699) 5.443 11.648 ( 0.000 -2.762 7.036) 7.559 11.766 ( 0.000 -7.002 -3.545) 7.848 11.884 ( 0.000 -15.931 3.369) 16.283 11.969 ( 0.000 -17.616 -3.994) 18.063 12.600 ( 0.000 9.484 11.393) 14.824 12.863 ( 0.000 13.453 -9.835) 16.665 13.025 ( 0.000 9.938 -4.378) 10.859 13.038 ( 0.000 11.810 -2.846) 12.148 13.335 ( 0.000 0.719 6.386) 6.427 13.436 ( 0.000 4.079 -1.573) 4.372 13.623 ( 0.000 5.768 3.070) 6.535 13.690 ( 0.000 11.280 -2.458) 11.544 14.336 ( 0.000 9.637 0.764) 9.668 14.375 ( 0.000 -0.867 -3.011) 3.133 14.814 ( 0.000 -20.689 3.268) 20.946 14.881 ( 0.000 -13.637 -2.220) 13.816 15.322 ( 0.000 -34.282 7.261) 35.042 15.486 ( 0.000 -28.643 -7.188) 29.531 16.657 ( 0.000 -20.833 3.621) 21.145 16.701 ( 0.000 -17.148 0.788) 17.166 17.012 ( 0.000 -22.648 2.635) 22.801 17.128 ( 0.000 -23.435 -6.378) 24.287 17.477 ( 0.000 -30.212 5.789) 30.762 17.605 ( 0.000 -30.764 -5.855) 31.316 21.248 ( 0.000 33.990 0.550) 33.994 21.250 ( 0.000 33.218 1.428) 33.249 21.278 ( 0.000 33.216 1.683) 33.259 21.360 ( 0.000 29.322 -4.499) 29.665 ======================= Grid point 113 (42/56) ======================= q-point: ( 0.14 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -12.890 0.455 5.484) 14.016 1.396 ( -14.554 -2.609 -6.896) 16.315 1.678 ( 14.395 4.650 2.197) 15.286 1.740 ( 11.340 7.541 -3.764) 14.129 1.843 ( 0.235 3.604 0.607) 3.662 1.869 ( -0.862 7.871 -2.203) 8.219 2.075 ( 3.248 10.715 4.194) 11.956 2.151 ( 5.026 9.878 -3.796) 11.715 2.520 ( -1.466 6.092 9.826) 11.654 2.670 ( -3.714 8.007 -3.128) 9.364 2.922 ( -2.156 8.125 -0.036) 8.407 2.929 ( 0.149 6.609 -1.241) 6.726 2.987 ( -5.797 11.580 1.386) 13.024 2.999 ( -5.058 7.794 1.294) 9.381 3.248 ( 0.917 2.052 -2.615) 3.448 3.260 ( 0.691 5.914 -5.081) 7.828 3.440 ( 2.148 1.215 1.003) 2.664 3.483 ( 4.191 1.051 -1.993) 4.758 3.564 ( -1.484 7.364 3.698) 8.373 3.630 ( 0.110 13.522 -1.851) 13.648 3.693 ( 4.182 18.610 9.252) 21.199 3.824 ( 7.340 19.342 8.934) 22.535 3.934 ( 5.170 7.745 1.598) 9.448 4.033 ( 9.202 6.569 -6.728) 13.156 4.134 ( 3.617 16.936 -9.616) 19.809 4.222 ( 7.088 17.280 -10.850) 21.600 4.627 ( 2.711 14.723 12.927) 19.780 4.733 ( -0.764 18.220 9.426) 20.528 4.897 ( 0.834 20.102 -7.822) 21.587 4.935 ( -0.527 18.935 -6.700) 20.093 5.142 ( 1.095 21.066 2.005) 21.189 5.190 ( -1.025 14.868 -1.503) 14.979 5.347 ( 1.079 16.754 6.955) 18.173 5.449 ( 1.429 10.228 -2.973) 10.747 5.964 ( -2.295 2.574 6.627) 7.471 6.129 ( -4.228 8.128 -5.939) 10.919 6.224 ( -3.832 -3.325 -1.194) 5.212 6.276 ( -1.054 -3.441 -3.147) 4.781 6.607 ( -6.754 -0.135 6.733) 9.538 6.691 ( -9.027 2.840 -1.573) 9.593 7.050 ( -5.906 -15.687 -0.129) 16.762 7.062 ( -7.162 -12.621 -0.898) 14.539 7.568 ( -3.059 -8.160 2.080) 8.959 7.641 ( -0.265 -2.339 -4.403) 4.993 7.851 ( 7.644 7.573 0.131) 10.760 7.854 ( 4.187 15.811 0.018) 16.356 8.149 ( -1.431 -0.198 2.321) 2.734 8.190 ( -2.591 0.063 -1.658) 3.077 8.407 ( 3.959 -0.152 4.028) 5.651 8.470 ( 6.384 -1.195 -1.192) 6.603 8.586 ( -0.297 0.619 2.806) 2.889 8.647 ( 0.034 1.288 -2.542) 2.850 8.817 ( 5.498 6.113 4.626) 9.434 8.958 ( 3.676 7.634 -8.792) 12.210 9.309 ( -0.064 4.762 -0.139) 4.765 9.336 ( -2.337 -0.651 -1.932) 3.101 9.450 ( 4.043 3.008 1.777) 5.343 9.486 ( 4.232 2.915 -0.924) 5.222 9.732 ( -0.090 2.631 4.785) 5.461 9.806 ( 0.775 1.062 -2.446) 2.777 9.991 ( 2.255 7.960 12.110) 14.666 10.197 ( -7.372 12.870 -2.176) 14.991 10.416 ( -0.811 3.654 -1.056) 3.889 10.548 ( -3.426 4.668 -8.200) 10.038 10.769 ( -0.810 -2.850 7.743) 8.290 10.913 ( -2.344 -2.213 -4.402) 5.456 11.044 ( 1.219 1.927 -0.035) 2.280 11.100 ( 2.207 1.494 -5.042) 5.703 11.578 ( -6.294 -3.741 7.043) 10.160 11.695 ( -5.591 -7.955 -3.812) 10.444 11.872 ( -1.356 -17.825 3.293) 18.177 11.952 ( -1.891 -18.606 -3.679) 19.060 12.643 ( 3.531 10.811 10.176) 15.261 12.863 ( -0.298 14.354 -8.564) 16.717 12.985 ( -3.004 14.256 0.981) 14.602 13.048 ( 0.208 11.514 -6.134) 13.048 13.334 ( 0.222 2.258 6.348) 6.741 13.452 ( 1.363 1.418 -4.503) 4.914 13.642 ( 2.380 7.280 3.871) 8.582 13.694 ( 0.391 10.344 -1.128) 10.413 14.353 ( 1.788 1.691 2.643) 3.612 14.454 ( 5.922 -1.202 -7.179) 9.384 14.853 ( 5.947 -15.811 8.056) 18.715 14.976 ( 8.769 -14.545 -3.281) 17.298 15.387 ( 6.129 -33.297 4.160) 34.111 15.514 ( 3.484 -28.415 -6.700) 29.401 16.529 ( -9.682 -18.728 8.143) 22.601 16.688 ( -4.199 -20.678 -5.891) 21.907 17.048 ( 3.389 -22.201 4.298) 22.866 17.166 ( 3.248 -23.989 -5.749) 24.881 17.457 ( -1.977 -29.908 6.352) 30.639 17.590 ( -1.632 -30.764 -5.784) 31.346 21.224 ( -2.607 33.376 2.479) 33.569 21.250 ( -0.145 33.890 0.149) 33.891 21.269 ( -0.691 33.789 0.259) 33.797 21.317 ( -4.000 31.083 -3.492) 31.533 ======================= Grid point 114 (43/56) ======================= q-point: ( 0.29 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -13.011 -1.916 3.932) 13.727 1.097 ( -15.573 -2.261 -4.671) 16.414 1.731 ( -3.638 3.251 -0.297) 4.888 1.751 ( -3.254 2.404 -1.600) 4.351 2.053 ( 15.671 7.364 2.013) 17.432 2.076 ( 11.105 16.254 0.490) 19.692 2.169 ( 8.713 12.421 3.741) 15.626 2.261 ( 6.924 10.822 -4.769) 13.704 2.499 ( -0.388 7.137 4.939) 8.689 2.594 ( -4.196 10.112 -3.208) 11.409 2.831 ( -5.808 8.953 1.238) 10.744 2.853 ( -4.869 8.844 -0.403) 10.104 2.953 ( 0.347 5.401 0.608) 5.446 2.995 ( 1.197 7.365 -1.967) 7.717 3.222 ( -4.071 1.297 -0.707) 4.331 3.227 ( -2.277 2.467 -2.044) 3.931 3.438 ( -2.117 0.207 4.546) 5.019 3.503 ( -2.606 4.981 2.353) 6.094 3.547 ( 0.279 4.866 -1.556) 5.116 3.605 ( -1.316 6.275 -3.693) 7.399 3.814 ( 8.563 18.356 8.872) 22.113 4.006 ( 9.609 8.903 8.760) 15.758 4.046 ( 5.476 16.261 -11.049) 20.408 4.177 ( 2.434 4.311 -6.269) 7.988 4.261 ( 10.771 24.171 2.401) 26.571 4.412 ( 12.587 21.871 -9.336) 26.906 4.715 ( -0.336 17.049 6.111) 18.114 4.726 ( 6.289 10.579 7.671) 14.502 4.879 ( 0.052 17.060 -0.977) 17.088 4.980 ( 2.367 13.726 -6.114) 15.212 5.151 ( -0.596 18.435 0.397) 18.449 5.177 ( 1.920 18.728 -2.401) 18.979 5.378 ( 2.051 18.831 7.929) 20.535 5.504 ( 4.175 11.600 -3.878) 12.924 5.873 ( -8.065 6.712 5.056) 11.647 6.012 ( -8.530 5.465 -7.680) 12.712 6.159 ( -2.080 -3.488 4.037) 5.726 6.253 ( -1.350 -6.676 -3.979) 7.888 6.447 ( -9.196 5.095 3.915) 11.218 6.498 ( -9.901 3.024 -0.619) 10.371 6.923 ( -6.002 -14.886 0.359) 16.054 6.934 ( -6.253 -15.769 -0.604) 16.975 7.473 ( -6.394 -7.263 3.826) 10.405 7.567 ( -7.205 -5.465 -4.453) 10.080 7.959 ( 7.225 14.547 2.400) 16.419 8.020 ( 9.086 8.998 -3.389) 13.229 8.172 ( 2.366 3.710 1.400) 4.617 8.186 ( 2.764 2.879 0.397) 4.011 8.497 ( 4.580 -4.587 3.449) 7.343 8.575 ( 3.774 -2.830 -2.645) 5.408 8.615 ( 3.342 4.431 2.840) 6.235 8.659 ( 1.435 1.905 -1.749) 2.957 8.925 ( 5.848 6.932 1.706) 9.229 9.023 ( 3.343 7.503 -7.772) 11.308 9.292 ( -0.881 0.001 -0.056) 0.883 9.329 ( 1.429 2.115 -3.597) 4.411 9.478 ( -2.283 1.815 5.742) 6.440 9.553 ( 2.246 4.685 -0.782) 5.254 9.658 ( -8.314 12.765 5.403) 16.164 9.772 ( -6.091 6.390 -3.287) 9.420 10.045 ( 2.521 3.570 10.621) 11.486 10.152 ( 7.603 1.595 1.877) 7.992 10.412 ( -1.164 1.663 -3.119) 3.722 10.517 ( 1.536 0.850 -10.976) 11.116 10.697 ( -6.614 0.881 7.013) 9.680 10.828 ( -6.841 -0.847 -4.783) 8.390 11.038 ( -1.880 3.317 2.270) 4.438 11.123 ( -1.729 2.033 -6.557) 7.080 11.504 ( 0.688 -6.969 7.712) 10.416 11.626 ( -1.302 -9.079 -4.071) 10.035 11.839 ( -1.835 -20.942 2.951) 21.229 11.903 ( -3.105 -20.924 -2.750) 21.332 12.694 ( 1.489 13.121 6.731) 14.821 12.814 ( -4.674 16.011 -3.000) 16.947 12.970 ( 0.934 16.825 -0.116) 16.852 13.039 ( -0.523 12.204 -6.409) 13.795 13.354 ( 2.261 4.948 7.340) 9.136 13.487 ( 2.090 4.010 -5.202) 6.893 13.688 ( 1.111 8.873 1.872) 9.137 13.716 ( 2.760 7.861 -0.077) 8.332 14.386 ( 1.580 -5.058 4.221) 6.775 14.512 ( -0.116 -8.083 -7.458) 10.998 15.060 ( 14.415 -10.910 6.778) 19.307 15.160 ( 9.870 -14.605 -1.881) 17.727 15.490 ( 4.646 -27.055 4.021) 27.744 15.648 ( 10.097 -28.127 -10.086) 31.541 16.337 ( -10.030 -20.334 11.838) 25.577 16.560 ( -8.980 -23.329 -8.702) 26.469 17.107 ( 2.483 -22.741 4.460) 23.307 17.214 ( 0.865 -24.762 -5.107) 25.298 17.423 ( -0.703 -29.357 6.405) 30.055 17.549 ( -2.611 -30.489 -5.148) 31.031 21.165 ( -3.141 34.577 1.910) 34.772 21.210 ( -4.466 33.557 -2.062) 33.916 21.258 ( -0.056 34.190 0.490) 34.193 21.269 ( -0.604 34.138 -0.583) 34.148 ======================= Grid point 115 (44/56) ======================= q-point: ( 0.43 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -4.025 -3.203 1.066) 5.253 0.867 ( -8.005 -2.803 -2.327) 8.795 1.685 ( -0.965 1.148 0.365) 1.543 1.696 ( -2.046 0.423 -0.350) 2.118 2.198 ( 4.348 17.916 1.968) 18.541 2.228 ( 2.417 14.331 -0.203) 14.535 2.346 ( 8.238 15.026 1.534) 17.205 2.402 ( 5.484 10.046 -3.219) 11.890 2.502 ( -0.601 8.291 1.682) 8.481 2.513 ( -3.785 12.930 0.354) 13.477 2.758 ( -1.397 9.560 1.453) 9.771 2.778 ( -3.026 9.116 -0.573) 9.622 2.967 ( 1.339 1.047 -1.130) 2.041 2.998 ( -1.235 1.432 -3.773) 4.220 3.161 ( -0.958 1.223 2.877) 3.270 3.183 ( -2.273 1.035 0.255) 2.511 3.408 ( -0.153 4.020 4.789) 6.254 3.439 ( -3.160 7.077 3.878) 8.666 3.559 ( 1.121 2.860 -3.756) 4.852 3.584 ( -1.278 2.471 -4.889) 5.625 3.990 ( 9.468 15.629 3.462) 18.599 4.112 ( 1.258 16.625 -5.149) 17.450 4.123 ( 1.883 11.027 -0.688) 11.208 4.143 ( -4.158 6.363 -1.902) 7.835 4.481 ( 11.686 23.850 5.694) 27.162 4.595 ( 2.472 18.281 -3.331) 18.745 4.730 ( 3.317 15.625 3.311) 16.313 4.768 ( -0.727 14.596 -0.654) 14.629 4.931 ( 0.008 12.862 1.104) 12.910 4.936 ( -3.689 15.880 -0.862) 16.326 5.194 ( 6.619 19.696 1.602) 20.840 5.265 ( 2.469 21.219 -3.959) 21.726 5.450 ( 7.525 15.929 5.788) 18.544 5.582 ( 2.059 13.358 -6.036) 14.803 5.688 ( -7.451 7.933 4.249) 11.683 5.814 ( -12.076 5.135 -6.955) 14.852 6.152 ( 1.364 -5.303 6.117) 8.210 6.211 ( -3.882 -8.081 3.162) 9.507 6.332 ( -1.325 3.113 -1.797) 3.831 6.367 ( -4.183 -0.471 -2.537) 4.915 6.849 ( -1.994 -12.251 0.052) 12.413 6.850 ( -2.291 -12.237 0.010) 12.449 7.383 ( -1.853 -9.943 1.835) 10.280 7.427 ( -6.136 -9.972 -2.079) 11.891 8.099 ( 6.456 10.802 2.217) 12.778 8.147 ( 2.576 5.709 -1.898) 6.545 8.212 ( 2.442 11.476 1.079) 11.782 8.236 ( 0.974 9.683 -0.476) 9.744 8.567 ( 3.051 -4.876 0.225) 5.757 8.601 ( -0.397 -3.278 -2.218) 3.977 8.671 ( 1.788 4.153 1.577) 4.788 8.687 ( 0.578 2.085 -0.033) 2.164 9.037 ( 5.974 7.388 -0.505) 9.515 9.081 ( 2.209 7.796 -4.149) 9.103 9.297 ( -1.320 3.458 -0.492) 3.734 9.315 ( -3.802 5.984 -1.534) 7.254 9.403 ( -1.252 6.494 6.866) 9.533 9.473 ( -5.914 8.661 0.728) 10.513 9.602 ( 1.387 3.258 1.987) 4.060 9.658 ( -4.558 0.679 -3.018) 5.509 10.170 ( 9.231 0.812 7.000) 11.614 10.277 ( 1.998 1.315 -1.455) 2.799 10.419 ( 1.186 -0.435 2.715) 2.995 10.466 ( -6.143 0.678 0.140) 6.182 10.644 ( 1.218 -0.141 -3.410) 3.623 10.691 ( -5.673 -0.569 -4.758) 7.426 11.004 ( -0.320 3.050 0.225) 3.075 11.050 ( -4.500 2.767 -3.967) 6.606 11.571 ( 4.252 -7.407 3.601) 9.268 11.619 ( -0.754 -7.532 -0.902) 7.623 11.820 ( 0.141 -23.721 1.464) 23.767 11.847 ( -2.565 -23.259 -0.940) 23.419 12.706 ( 0.510 16.301 2.913) 16.568 12.736 ( -3.003 17.552 0.569) 17.816 12.993 ( 1.653 13.487 -2.331) 13.787 13.025 ( -1.416 12.147 -5.518) 13.416 13.424 ( 4.696 8.844 7.278) 12.379 13.495 ( -1.991 9.906 1.563) 10.224 13.717 ( 2.425 6.484 -1.443) 7.072 13.749 ( -0.116 7.389 -3.008) 7.979 14.419 ( 2.379 -8.651 2.394) 9.286 14.475 ( -3.138 -9.656 -2.482) 10.452 15.274 ( 6.603 -13.479 0.093) 15.010 15.303 ( 3.778 -15.299 -1.833) 15.865 15.617 ( 9.942 -19.784 6.807) 23.164 15.767 ( -1.475 -19.141 -7.040) 20.448 16.228 ( 1.466 -27.270 7.473) 28.314 16.371 ( -10.602 -26.796 -5.637) 29.363 17.144 ( 1.897 -23.951 2.411) 24.147 17.188 ( -2.693 -24.830 -1.231) 25.006 17.446 ( 2.576 -29.264 1.705) 29.426 17.498 ( -2.767 -29.855 -2.706) 30.104 21.125 ( -0.829 35.404 0.645) 35.420 21.140 ( -2.467 35.129 -0.708) 35.223 21.260 ( 0.154 34.272 0.149) 34.273 21.263 ( -0.224 34.270 -0.161) 34.271 ======================= Grid point 119 (45/56) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.000 -8.371 2.670) 8.786 1.410 ( 0.000 -8.358 -3.792) 9.178 1.528 ( 0.000 -1.332 2.632) 2.950 1.593 ( 0.000 0.158 -3.262) 3.266 1.863 ( 0.000 -6.511 3.859) 7.569 1.935 ( 0.000 -3.523 -2.762) 4.477 2.387 ( 0.000 17.390 0.323) 17.393 2.420 ( 0.000 21.926 -2.192) 22.035 2.593 ( 0.000 3.637 9.445) 10.121 2.788 ( 0.000 2.715 -8.777) 9.188 3.049 ( 0.000 4.834 5.742) 7.506 3.090 ( 0.000 5.830 3.218) 6.659 3.241 ( 0.000 3.143 -0.294) 3.156 3.250 ( 0.000 3.338 -2.545) 4.198 3.304 ( 0.000 11.734 -2.343) 11.966 3.348 ( 0.000 5.949 -5.198) 7.900 3.391 ( 0.000 -0.572 6.633) 6.657 3.503 ( 0.000 5.638 -3.461) 6.615 3.664 ( 0.000 4.784 4.894) 6.844 3.841 ( 0.000 1.535 -1.055) 1.862 3.866 ( 0.000 -0.109 -1.106) 1.112 4.006 ( 0.000 16.036 -2.730) 16.267 4.030 ( 0.000 16.298 1.293) 16.349 4.090 ( 0.000 0.183 -6.661) 6.664 4.508 ( 0.000 25.514 3.181) 25.712 4.610 ( 0.000 16.636 -6.159) 17.739 4.841 ( 0.000 7.171 18.796) 20.118 5.029 ( 0.000 11.607 11.995) 16.692 5.228 ( 0.000 12.033 -15.852) 19.902 5.253 ( 0.000 7.431 -7.282) 10.404 5.448 ( 0.000 10.624 0.664) 10.645 5.484 ( 0.000 11.307 -3.514) 11.840 5.592 ( 0.000 11.416 1.362) 11.497 5.618 ( 0.000 8.075 -1.383) 8.193 6.049 ( 0.000 4.087 9.695) 10.521 6.176 ( 0.000 -3.790 -4.158) 5.626 6.241 ( 0.000 -1.159 2.740) 2.975 6.346 ( 0.000 7.830 -5.334) 9.475 6.559 ( 0.000 -6.922 6.029) 9.180 6.668 ( 0.000 -10.476 -3.791) 11.141 7.027 ( 0.000 4.510 2.166) 5.003 7.077 ( 0.000 2.026 -2.257) 3.032 7.384 ( 0.000 -9.974 2.280) 10.232 7.475 ( 0.000 -6.385 -6.744) 9.287 7.827 ( 0.000 -6.953 7.886) 10.513 7.993 ( 0.000 -3.312 -8.402) 9.031 8.142 ( 0.000 1.403 8.236) 8.355 8.265 ( 0.000 9.250 -1.063) 9.311 8.411 ( 0.000 0.364 2.685) 2.709 8.470 ( 0.000 0.971 -0.688) 1.190 8.527 ( 0.000 1.665 0.865) 1.876 8.600 ( 0.000 -5.431 -5.229) 7.539 8.880 ( 0.000 6.956 6.620) 9.603 9.059 ( 0.000 7.346 -10.094) 12.484 9.349 ( 0.000 -1.632 2.371) 2.878 9.403 ( 0.000 2.243 -3.348) 4.030 9.527 ( 0.000 6.573 3.610) 7.499 9.550 ( 0.000 8.280 1.551) 8.424 9.748 ( 0.000 4.475 1.660) 4.773 9.787 ( 0.000 2.484 -2.031) 3.208 10.148 ( 0.000 6.077 9.054) 10.904 10.361 ( 0.000 1.717 -10.156) 10.300 10.595 ( 0.000 -5.253 1.944) 5.602 10.617 ( 0.000 -4.325 -0.619) 4.369 10.675 ( 0.000 4.590 6.033) 7.581 10.831 ( 0.000 -3.898 -7.748) 8.674 11.069 ( 0.000 3.312 3.307) 4.681 11.144 ( 0.000 1.474 -3.613) 3.903 11.511 ( 0.000 -13.831 5.026) 14.716 11.595 ( 0.000 -5.034 -0.247) 5.040 11.667 ( 0.000 -9.654 0.101) 9.655 11.732 ( 0.000 -3.336 -3.419) 4.777 12.816 ( 0.000 10.471 9.896) 14.407 13.065 ( 0.000 5.340 -11.936) 13.076 13.199 ( 0.000 6.869 -1.221) 6.976 13.218 ( 0.000 6.208 -2.074) 6.545 13.382 ( 0.000 3.690 4.722) 5.993 13.474 ( 0.000 2.786 -4.363) 5.177 13.815 ( 0.000 10.181 7.615) 12.714 13.929 ( 0.000 10.228 -3.731) 10.887 14.385 ( 0.000 1.637 3.296) 3.680 14.403 ( 0.000 -8.170 1.347) 8.280 14.509 ( 0.000 -3.741 -0.984) 3.868 14.519 ( 0.000 -23.783 -2.107) 23.876 14.921 ( 0.000 -3.715 3.853) 5.353 15.013 ( 0.000 -16.119 -4.261) 16.673 16.302 ( 0.000 -14.635 2.720) 14.886 16.366 ( 0.000 -16.164 -2.938) 16.429 16.582 ( 0.000 -19.233 4.111) 19.667 16.675 ( 0.000 -21.195 -3.940) 21.558 16.927 ( 0.000 -24.437 5.172) 24.978 17.040 ( 0.000 -25.536 -4.964) 26.014 21.844 ( 0.000 26.187 1.504) 26.231 21.859 ( 0.000 26.899 0.202) 26.900 21.880 ( 0.000 26.737 -0.207) 26.738 21.896 ( 0.000 24.315 -1.632) 24.370 ======================= Grid point 120 (46/56) ======================= q-point: ( 0.14 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -11.571 -3.732 3.645) 12.692 1.305 ( -11.499 -5.690 -4.800) 13.698 1.685 ( 13.832 -2.842 3.266) 14.494 1.759 ( 10.088 -3.519 -3.217) 11.158 1.839 ( 2.166 -3.547 3.248) 5.275 1.906 ( 0.813 -1.828 -2.495) 3.198 2.439 ( 4.660 15.940 -0.058) 16.608 2.460 ( 3.493 19.953 -1.549) 20.315 2.623 ( 2.359 4.975 8.090) 9.786 2.788 ( -0.282 5.123 -6.981) 8.663 3.024 ( -2.590 4.501 1.700) 5.464 3.056 ( -3.492 5.361 0.295) 6.405 3.134 ( -4.670 5.566 3.929) 8.260 3.255 ( -3.744 10.577 -3.879) 11.871 3.287 ( -1.070 2.760 2.045) 3.598 3.367 ( -0.959 4.039 -1.286) 4.346 3.430 ( 3.172 2.646 1.878) 4.537 3.525 ( 2.504 3.891 -3.228) 5.642 3.655 ( -0.328 4.784 2.887) 5.597 3.776 ( -4.781 3.555 -6.514) 8.828 3.888 ( 3.276 1.392 10.096) 10.705 4.095 ( 6.145 14.582 1.378) 15.884 4.111 ( 4.339 1.256 -10.294) 11.242 4.156 ( 10.279 12.094 -4.034) 16.377 4.581 ( 7.383 23.542 2.793) 24.830 4.658 ( 5.072 14.621 -4.181) 16.031 4.842 ( 0.227 7.436 17.024) 18.579 5.025 ( -0.648 12.426 10.070) 16.007 5.208 ( -1.492 8.666 -11.969) 14.852 5.244 ( -1.994 12.598 -8.641) 15.406 5.402 ( -2.316 5.942 1.946) 6.668 5.471 ( -1.590 9.566 -5.238) 11.021 5.600 ( 1.187 9.189 1.359) 9.364 5.627 ( 1.300 7.432 -1.362) 7.667 6.041 ( -1.798 4.847 10.596) 11.790 6.163 ( -2.360 -1.658 -1.829) 3.415 6.219 ( -1.999 -0.661 1.352) 2.502 6.310 ( -3.819 8.812 -6.698) 11.709 6.548 ( -0.048 -5.926 6.030) 8.455 6.659 ( -0.734 -8.629 -4.238) 9.641 6.904 ( -11.380 4.310 1.888) 12.315 6.951 ( -12.026 1.405 -2.218) 12.310 7.383 ( -0.913 -8.842 4.872) 10.136 7.518 ( -0.205 -7.313 -7.682) 10.608 7.876 ( 7.080 -5.000 6.812) 11.024 8.020 ( 3.287 -2.572 -6.935) 8.094 8.151 ( 1.946 2.477 7.317) 7.966 8.260 ( -0.225 8.095 0.121) 8.099 8.437 ( 2.048 -2.194 -0.650) 3.071 8.476 ( 0.749 3.474 -2.166) 4.162 8.578 ( 5.485 1.510 1.569) 5.901 8.632 ( 3.054 -2.761 -3.322) 5.290 8.944 ( 5.857 6.697 5.990) 10.725 9.103 ( 3.568 6.821 -8.700) 11.617 9.338 ( -1.380 -0.009 2.127) 2.536 9.396 ( -0.850 2.769 -3.583) 4.607 9.527 ( -0.090 5.068 3.473) 6.145 9.556 ( 1.405 5.433 1.075) 5.713 9.802 ( 5.492 5.100 0.939) 7.553 9.829 ( 4.127 2.708 -1.816) 5.259 10.120 ( -1.484 4.781 11.230) 12.295 10.362 ( -0.929 2.861 -10.775) 11.187 10.546 ( -9.627 8.372 4.088) 13.397 10.618 ( -1.884 0.740 -2.381) 3.125 10.678 ( 4.172 -6.165 5.449) 9.225 10.832 ( 1.521 -6.138 -8.575) 10.655 11.064 ( -0.494 0.991 3.075) 3.268 11.126 ( -1.774 0.138 -2.916) 3.416 11.471 ( -5.068 -12.561 4.081) 14.146 11.508 ( -8.516 -3.163 1.919) 9.285 11.619 ( -5.623 -10.811 -2.068) 12.360 11.641 ( -5.393 -8.760 -2.595) 10.609 12.846 ( 1.976 7.682 9.152) 12.111 13.063 ( -0.732 3.919 -10.215) 10.965 13.207 ( -1.156 5.170 -0.019) 5.298 13.212 ( -0.938 6.423 -1.145) 6.591 13.393 ( 2.544 4.488 5.257) 7.365 13.511 ( 5.347 6.903 -6.614) 10.953 13.839 ( 2.718 10.059 6.215) 12.132 13.931 ( 0.124 11.276 -2.977) 11.663 14.379 ( -0.853 2.352 1.917) 3.152 14.405 ( 0.072 -4.860 -0.362) 4.874 14.612 ( 12.260 -11.750 1.998) 17.099 14.667 ( 12.725 -17.488 -2.772) 21.804 14.955 ( 3.544 -5.145 3.911) 7.370 15.044 ( 3.473 -16.005 -4.036) 16.868 16.203 ( -8.931 -13.446 4.385) 16.726 16.304 ( -6.729 -17.609 -4.699) 19.427 16.622 ( 3.096 -19.563 3.562) 20.124 16.701 ( 2.217 -21.855 -3.450) 22.237 16.910 ( -1.715 -24.425 5.303) 25.053 17.022 ( -1.842 -25.753 -4.799) 26.261 21.826 ( -1.664 26.737 1.478) 26.829 21.856 ( -0.979 26.347 -0.893) 26.380 21.874 ( -0.596 26.509 0.153) 26.516 21.886 ( -0.511 26.015 -0.844) 26.034 ======================= Grid point 121 (47/56) ======================= q-point: ( 0.29 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -12.289 -0.150 3.353) 12.739 1.056 ( -13.521 -1.423 -4.087) 14.197 1.714 ( -3.770 -4.460 1.254) 5.973 1.743 ( -4.481 -3.072 -1.128) 5.549 2.108 ( 19.164 -1.652 4.833) 19.833 2.203 ( 20.621 -0.984 -3.508) 20.940 2.510 ( 1.909 15.245 0.144) 15.365 2.531 ( 3.711 12.856 -1.696) 13.488 2.658 ( 1.549 9.434 4.839) 10.715 2.770 ( -1.583 9.472 -5.327) 10.982 2.966 ( -4.309 5.376 0.163) 6.892 2.983 ( -2.106 5.258 -1.349) 5.822 3.081 ( -2.450 6.177 5.084) 8.367 3.174 ( -4.366 10.367 -1.752) 11.385 3.240 ( -3.288 -0.048 2.407) 4.076 3.304 ( -4.920 7.094 -1.341) 8.737 3.476 ( 2.068 4.818 2.569) 5.838 3.567 ( 1.635 2.773 -3.276) 4.593 3.651 ( -0.992 5.833 0.899) 5.985 3.706 ( -2.964 4.860 -3.466) 6.665 3.977 ( 6.608 1.479 9.474) 11.645 4.176 ( 3.427 0.232 -8.059) 8.761 4.257 ( 8.800 13.770 0.776) 16.360 4.349 ( 8.532 10.852 -7.426) 15.675 4.746 ( 8.739 18.000 2.008) 20.109 4.781 ( 6.669 9.571 -1.131) 11.720 4.873 ( 4.086 6.779 13.021) 15.238 5.006 ( -0.863 13.212 7.239) 15.090 5.170 ( -2.766 8.754 -4.667) 10.299 5.197 ( -1.791 9.609 -8.678) 13.071 5.397 ( 1.900 7.380 0.792) 7.662 5.460 ( 1.355 7.083 -5.720) 9.205 5.649 ( 3.829 7.262 1.243) 8.303 5.676 ( 3.766 4.486 -1.550) 6.059 5.964 ( -6.006 2.682 9.612) 11.647 6.085 ( -6.019 -1.562 -0.585) 6.246 6.174 ( -3.151 3.496 -1.303) 4.884 6.195 ( -7.267 8.581 -3.308) 11.721 6.572 ( 0.552 3.078 3.030) 4.354 6.638 ( -5.071 5.335 -2.775) 7.866 6.680 ( -7.725 -4.322 0.772) 8.885 6.701 ( -11.257 -2.837 -0.894) 11.643 7.309 ( -6.849 -8.109 4.453) 11.511 7.407 ( -9.963 -8.908 -4.227) 14.017 8.073 ( 11.239 0.294 1.373) 11.326 8.117 ( 6.328 0.650 -2.166) 6.719 8.229 ( 6.018 0.348 5.502) 8.161 8.292 ( 3.960 7.171 2.525) 8.572 8.477 ( 2.433 -4.906 -3.101) 6.293 8.506 ( 2.434 3.743 -3.916) 5.939 8.678 ( 4.209 0.098 0.121) 4.212 8.715 ( 5.121 3.346 -2.145) 6.482 9.058 ( 5.956 6.175 4.233) 9.567 9.165 ( 3.134 6.083 -5.506) 8.783 9.305 ( -1.340 1.160 2.343) 2.938 9.376 ( -0.938 2.457 -4.610) 5.308 9.524 ( -0.102 4.115 4.906) 6.404 9.603 ( 2.917 2.791 -0.930) 4.142 9.864 ( -1.382 8.170 3.690) 9.071 9.933 ( 4.027 6.992 -2.803) 8.542 10.143 ( 1.481 3.898 8.937) 9.862 10.226 ( -7.167 7.282 1.845) 10.383 10.448 ( -0.921 1.674 -2.767) 3.362 10.537 ( -3.651 1.368 -8.829) 9.651 10.704 ( -3.669 -0.673 5.292) 6.475 10.821 ( -5.463 -0.768 -5.660) 7.903 11.071 ( -0.458 -1.204 0.837) 1.536 11.098 ( 0.092 -5.683 -2.091) 6.057 11.329 ( -5.336 -10.488 4.038) 12.441 11.383 ( -3.570 -11.640 -0.293) 12.178 11.520 ( -3.948 -10.327 0.980) 11.099 11.565 ( -4.185 -11.911 -2.322) 12.837 12.873 ( 1.423 3.548 7.368) 8.301 13.032 ( -2.266 3.715 -5.879) 7.314 13.137 ( -5.309 0.470 -0.428) 5.347 13.155 ( -4.439 0.315 -1.695) 4.762 13.522 ( 10.201 13.091 6.260) 17.738 13.665 ( 9.607 11.772 -7.404) 16.903 13.902 ( 3.131 10.104 2.178) 10.800 13.922 ( -1.455 13.445 -0.219) 13.526 14.356 ( -1.343 2.212 2.018) 3.281 14.400 ( -0.947 -2.839 -1.850) 3.519 14.901 ( 16.212 -8.719 1.598) 18.477 14.936 ( 13.807 -12.643 -1.532) 18.784 15.047 ( 6.659 -10.011 4.770) 12.935 15.160 ( 10.166 -18.039 -5.419) 21.404 16.000 ( -12.553 -13.164 6.042) 19.167 16.129 ( -11.846 -19.238 -5.575) 23.271 16.663 ( 1.033 -21.089 2.927) 21.316 16.731 ( 0.141 -22.857 -3.268) 23.090 16.880 ( -0.696 -24.632 4.942) 25.132 16.979 ( -2.496 -26.118 -4.111) 26.557 21.791 ( -1.820 27.859 1.084) 27.940 21.816 ( -2.555 27.011 -1.168) 27.156 21.871 ( 0.120 26.973 0.418) 26.976 21.880 ( -0.183 26.839 -0.393) 26.842 ======================= Grid point 122 (48/56) ======================= q-point: ( 0.43 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -3.612 1.891 1.095) 4.222 0.851 ( -7.402 1.418 -2.326) 7.887 1.664 ( -1.206 -3.868 0.884) 4.147 1.675 ( -2.327 -3.279 -0.009) 4.021 2.396 ( 10.384 -0.163 4.485) 11.312 2.493 ( 1.974 4.412 -2.644) 5.509 2.537 ( 7.136 3.829 -0.523) 8.115 2.582 ( 2.299 7.598 -3.001) 8.487 2.683 ( 0.895 12.581 2.639) 12.885 2.733 ( -2.731 11.849 -2.044) 12.330 2.908 ( -1.128 6.060 1.464) 6.336 2.938 ( -2.986 6.911 -1.213) 7.625 3.051 ( 0.199 8.612 1.009) 8.673 3.095 ( -3.924 8.518 -2.344) 9.667 3.196 ( -0.749 3.355 2.981) 4.550 3.221 ( -3.283 6.558 0.766) 7.373 3.527 ( 3.646 6.036 2.350) 7.433 3.595 ( -0.301 1.528 -2.640) 3.065 3.608 ( -1.269 9.070 1.539) 9.287 3.652 ( -2.957 5.586 -2.140) 6.673 4.113 ( 6.808 1.118 3.952) 7.951 4.197 ( -1.716 0.637 -3.294) 3.768 4.394 ( 5.349 13.464 -0.959) 14.519 4.439 ( 0.936 11.915 -5.488) 13.151 4.846 ( 1.781 9.077 0.602) 9.269 4.851 ( 0.855 5.770 0.113) 5.834 4.993 ( 7.402 7.673 6.050) 12.259 5.034 ( 3.737 14.448 5.108) 15.774 5.129 ( -2.407 7.052 -0.854) 7.500 5.145 ( -4.302 5.720 -2.295) 7.516 5.489 ( 7.261 10.007 0.327) 12.368 5.542 ( 5.312 6.318 -4.768) 9.532 5.703 ( 2.474 6.417 2.329) 7.261 5.756 ( 4.488 2.698 -2.818) 5.947 5.843 ( -6.648 1.758 2.526) 7.326 5.901 ( -12.228 2.130 -2.231) 12.611 6.103 ( -0.137 7.484 2.243) 7.814 6.140 ( -2.351 5.960 -0.989) 6.483 6.452 ( -5.861 6.808 0.490) 8.997 6.466 ( -6.592 7.462 -0.720) 9.982 6.673 ( 2.420 -3.476 0.621) 4.281 6.682 ( 1.230 -2.975 -0.195) 3.225 7.185 ( -4.107 -8.994 1.639) 10.023 7.222 ( -7.796 -9.602 -1.586) 12.469 8.220 ( 3.831 2.892 0.506) 4.826 8.223 ( 4.048 3.260 -0.168) 5.200 8.334 ( 4.017 0.200 5.497) 6.812 8.360 ( 1.518 4.311 5.222) 6.939 8.529 ( 2.836 -3.164 -6.404) 7.685 8.550 ( 1.260 2.170 -6.405) 6.879 8.746 ( 2.807 1.917 -0.345) 3.416 8.768 ( 0.512 3.539 -2.098) 4.146 9.162 ( 4.671 4.336 3.762) 7.401 9.205 ( 0.318 4.146 0.864) 4.247 9.322 ( 2.941 0.104 -0.900) 3.078 9.363 ( -0.971 0.531 -4.867) 4.992 9.552 ( 5.088 9.232 5.241) 11.772 9.652 ( 2.406 5.925 -2.975) 7.052 9.753 ( -9.919 12.065 3.519) 16.011 9.781 ( -11.859 10.627 2.190) 16.074 10.199 ( 8.943 2.573 5.372) 10.745 10.315 ( 2.926 2.626 -4.210) 5.761 10.422 ( -0.434 1.154 2.387) 2.686 10.481 ( -4.531 0.895 -1.606) 4.890 10.630 ( -0.419 -1.414 -1.089) 1.833 10.680 ( -6.709 -0.929 -3.919) 7.825 11.033 ( -1.221 -2.034 -0.153) 2.377 11.063 ( -3.727 -3.417 -3.084) 5.923 11.348 ( 4.747 -14.167 3.612) 15.372 11.391 ( 2.212 -16.021 0.159) 16.174 11.454 ( -2.784 -8.884 0.753) 9.341 11.485 ( -4.101 -11.045 -1.389) 11.863 12.913 ( 2.949 2.907 4.971) 6.470 12.979 ( -3.615 5.935 1.296) 7.069 13.063 ( -1.442 -5.308 -3.439) 6.487 13.081 ( -2.891 -2.338 -2.918) 4.727 13.715 ( 9.499 16.889 4.843) 19.973 13.825 ( 5.322 17.393 -4.510) 18.740 13.865 ( -3.282 10.564 1.944) 11.231 13.923 ( -1.736 10.702 -2.486) 11.123 14.344 ( 0.372 0.805 1.148) 1.451 14.370 ( -1.978 -1.065 -1.211) 2.552 15.075 ( 3.875 -8.180 1.919) 9.252 15.086 ( 2.624 -5.590 1.405) 6.334 15.296 ( 16.807 -11.027 2.359) 20.240 15.408 ( 11.005 -16.423 -7.970) 21.316 15.766 ( -9.183 -17.570 6.795) 20.957 15.875 ( -14.457 -22.039 -3.694) 26.615 16.673 ( 0.669 -22.470 1.663) 22.541 16.702 ( -2.286 -23.063 -0.722) 23.187 16.896 ( 1.883 -25.506 1.206) 25.604 16.935 ( -2.209 -26.133 -2.117) 26.311 21.768 ( -0.476 28.632 0.388) 28.639 21.777 ( -1.427 28.342 -0.412) 28.381 21.874 ( 0.165 27.000 0.130) 27.000 21.877 ( -0.157 26.966 -0.137) 26.966 ======================= Grid point 126 (49/56) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.000 -7.050 0.624) 7.078 1.228 ( 0.000 -8.492 -4.364) 9.548 1.474 ( 0.000 -3.635 5.988) 7.005 1.577 ( 0.000 -1.524 -3.760) 4.057 1.700 ( 0.000 -8.808 6.629) 11.024 1.825 ( 0.000 -6.980 -4.632) 8.377 2.565 ( 0.000 1.298 3.375) 3.616 2.639 ( 0.000 -0.010 -3.082) 3.082 2.793 ( 0.000 13.906 5.413) 14.922 2.931 ( 0.000 9.203 -7.254) 11.718 3.092 ( 0.000 0.829 4.103) 4.186 3.173 ( 0.000 -0.607 -2.817) 2.881 3.284 ( 0.000 9.661 3.069) 10.136 3.342 ( 0.000 5.787 -2.206) 6.193 3.432 ( 0.000 6.350 1.745) 6.586 3.455 ( 0.000 5.406 -1.798) 5.698 3.574 ( 0.000 10.344 1.702) 10.483 3.624 ( 0.000 6.156 -0.937) 6.227 3.761 ( 0.000 3.728 4.048) 5.503 3.853 ( 0.000 -0.069 4.001) 4.002 3.901 ( 0.000 3.309 -6.993) 7.737 4.009 ( 0.000 -4.190 -9.452) 10.339 4.331 ( 0.000 13.861 1.107) 13.905 4.342 ( 0.000 13.628 -0.306) 13.631 4.719 ( 0.000 -2.526 1.613) 2.998 4.790 ( 0.000 2.928 -0.284) 2.942 4.901 ( 0.000 -2.903 12.153) 12.495 5.228 ( 0.000 -4.107 -4.678) 6.225 5.288 ( 0.000 4.839 -0.316) 4.849 5.324 ( 0.000 3.498 6.906) 7.742 5.592 ( 0.000 3.878 -4.570) 5.993 5.598 ( 0.000 4.059 -3.862) 5.603 5.786 ( 0.000 8.696 0.582) 8.716 5.842 ( 0.000 10.972 -4.912) 12.021 6.068 ( 0.000 -0.789 1.707) 1.880 6.142 ( 0.000 0.526 -5.481) 5.506 6.301 ( 0.000 5.753 11.403) 12.772 6.395 ( 0.000 -2.833 4.821) 5.592 6.498 ( 0.000 -6.158 -3.557) 7.112 6.507 ( 0.000 1.444 -6.488) 6.647 7.130 ( 0.000 1.766 0.788) 1.934 7.139 ( 0.000 4.383 -0.076) 4.384 7.242 ( 0.000 -3.202 5.946) 6.753 7.396 ( 0.000 -1.656 -8.029) 8.198 7.640 ( 0.000 -8.545 7.071) 11.091 7.837 ( 0.000 -9.441 -10.635) 14.221 8.205 ( 0.000 3.929 10.645) 11.347 8.382 ( 0.000 -2.222 -3.312) 3.989 8.389 ( 0.000 -4.218 4.356) 6.064 8.463 ( 0.000 2.453 5.851) 6.344 8.502 ( 0.000 1.364 -5.101) 5.280 8.642 ( 0.000 4.619 -7.353) 8.683 9.021 ( 0.000 6.859 7.085) 9.861 9.197 ( 0.000 5.936 -7.071) 9.232 9.295 ( 0.000 -2.551 3.082) 4.001 9.421 ( 0.000 -0.123 -6.901) 6.902 9.670 ( 0.000 7.265 5.303) 8.995 9.710 ( 0.000 7.022 2.256) 7.376 9.872 ( 0.000 6.534 -0.653) 6.566 9.882 ( 0.000 6.375 -2.251) 6.760 10.269 ( 0.000 6.214 4.647) 7.759 10.329 ( 0.000 -7.205 0.732) 7.242 10.446 ( 0.000 -9.557 -0.358) 9.564 10.476 ( 0.000 -0.373 -4.779) 4.793 10.746 ( 0.000 0.141 0.957) 0.968 10.772 ( 0.000 -3.389 -1.763) 3.820 11.112 ( 0.000 0.670 1.290) 1.453 11.144 ( 0.000 -0.943 -1.662) 1.911 11.283 ( 0.000 -9.112 5.223) 10.502 11.395 ( 0.000 -10.162 -4.828) 11.251 11.632 ( 0.000 0.668 2.811) 2.889 11.687 ( 0.000 -1.514 -2.037) 2.538 12.956 ( 0.000 3.715 5.335) 6.501 13.088 ( 0.000 -1.063 -6.677) 6.761 13.256 ( 0.000 -1.972 1.774) 2.653 13.294 ( 0.000 -1.152 -2.180) 2.466 13.470 ( 0.000 7.392 5.120) 8.992 13.590 ( 0.000 8.098 -6.885) 10.629 13.928 ( 0.000 0.353 2.835) 2.856 13.959 ( 0.000 -3.815 -0.943) 3.930 14.126 ( 0.000 -12.316 8.639) 15.044 14.306 ( 0.000 -9.386 -7.641) 12.104 14.494 ( 0.000 9.523 0.250) 9.526 14.498 ( 0.000 8.776 -0.256) 8.780 14.885 ( 0.000 -0.151 3.293) 3.296 14.950 ( 0.000 2.991 -2.529) 3.917 16.067 ( 0.000 -9.520 -0.019) 9.520 16.069 ( 0.000 -13.034 -0.123) 13.035 16.289 ( 0.000 -10.017 1.585) 10.142 16.324 ( 0.000 -13.136 -1.503) 13.222 16.529 ( 0.000 -15.222 3.669) 15.658 16.610 ( 0.000 -17.334 -3.561) 17.696 22.280 ( 0.000 17.303 0.751) 17.319 22.296 ( 0.000 16.841 -0.608) 16.852 22.311 ( 0.000 16.788 0.234) 16.790 22.319 ( 0.000 16.969 -0.390) 16.974 ======================= Grid point 127 (50/56) ======================= q-point: ( 0.14 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -4.757 -1.616 1.508) 5.246 1.203 ( -5.228 -3.707 -3.347) 7.231 1.582 ( 7.918 -7.265 3.314) 11.246 1.627 ( 1.650 -8.961 0.912) 9.157 1.756 ( 10.419 -3.809 1.769) 11.233 1.830 ( 4.824 -5.110 -3.494) 7.848 2.584 ( 1.424 -0.163 2.762) 3.112 2.640 ( -0.196 -0.877 -2.214) 2.389 2.835 ( 4.055 13.656 5.072) 15.121 2.962 ( 2.884 9.264 -6.448) 11.649 3.095 ( 0.548 2.255 2.480) 3.396 3.148 ( -2.393 2.009 -2.110) 3.770 3.254 ( -2.388 10.453 1.831) 10.878 3.297 ( -3.854 6.044 -1.036) 7.242 3.458 ( 1.158 6.838 1.250) 7.047 3.505 ( 1.972 5.889 -3.712) 7.235 3.552 ( -0.311 9.317 4.205) 10.227 3.626 ( 0.352 5.645 -1.762) 5.924 3.733 ( -0.938 2.775 4.200) 5.121 3.855 ( -3.001 4.134 -6.451) 8.229 3.892 ( 3.154 -0.048 5.382) 6.238 4.046 ( 3.337 -4.037 -8.953) 10.372 4.392 ( 5.161 12.031 0.920) 13.124 4.414 ( 6.872 13.031 -1.005) 14.766 4.733 ( 1.583 -3.245 3.210) 4.831 4.815 ( 2.584 1.248 1.162) 3.096 4.919 ( 1.863 -2.996 7.061) 7.893 5.220 ( -1.701 -8.145 -12.210) 14.776 5.271 ( -1.232 10.044 9.368) 13.789 5.361 ( 3.408 1.088 6.669) 7.568 5.494 ( -8.559 4.716 -3.894) 10.519 5.562 ( -3.383 3.704 -5.687) 7.583 5.725 ( -3.049 2.466 -0.427) 3.945 5.753 ( -4.152 6.086 -4.148) 8.455 6.137 ( -0.958 5.538 4.175) 7.001 6.197 ( -0.911 4.115 -2.248) 4.777 6.260 ( 1.368 3.005 8.138) 8.782 6.422 ( -2.045 1.036 -5.116) 5.606 6.446 ( 2.952 -3.255 3.399) 5.556 6.546 ( 1.629 -0.797 -4.562) 4.909 7.016 ( -9.888 3.373 0.065) 10.447 7.030 ( -9.267 5.633 -1.229) 10.914 7.253 ( -1.011 -3.785 6.769) 7.821 7.385 ( -3.980 -5.695 -4.680) 8.377 7.763 ( 13.176 -4.429 3.685) 14.381 7.906 ( 7.475 -6.619 -8.353) 13.017 8.219 ( 1.495 3.906 8.068) 9.088 8.338 ( -1.584 -1.321 -2.286) 3.080 8.412 ( 0.837 -1.180 5.666) 5.848 8.526 ( 4.593 -4.980 1.777) 7.004 8.530 ( 2.970 4.862 -4.419) 7.210 8.675 ( 3.874 3.502 -7.035) 8.761 9.075 ( 4.836 6.182 6.673) 10.302 9.219 ( 1.657 4.228 -4.307) 6.259 9.323 ( 2.215 -0.408 2.094) 3.075 9.424 ( 0.229 0.445 -5.668) 5.691 9.647 ( -2.094 6.219 4.029) 7.701 9.680 ( -1.980 5.890 1.630) 6.424 9.923 ( 5.912 6.359 -0.989) 8.739 9.925 ( 4.314 6.554 -1.947) 8.084 10.209 ( -2.353 4.397 8.152) 9.556 10.383 ( 1.462 -0.731 -7.554) 7.729 10.519 ( 7.971 -7.266 2.537) 11.080 10.552 ( 5.499 -6.228 -0.651) 8.334 10.656 ( -9.185 1.411 1.653) 9.439 10.722 ( -4.046 -4.471 -4.322) 7.419 11.074 ( -4.161 -0.176 1.701) 4.499 11.110 ( -3.597 -0.933 -1.782) 4.121 11.266 ( -2.862 -7.929 5.174) 9.891 11.378 ( -2.627 -8.652 -5.002) 10.334 11.513 ( -10.091 -0.308 2.381) 10.373 11.555 ( -11.222 -2.132 -1.356) 11.503 12.925 ( -3.069 1.428 5.195) 6.201 13.049 ( -3.823 -2.696 -6.100) 7.687 13.212 ( -4.645 -3.926 1.564) 6.280 13.240 ( -6.204 -3.787 -1.145) 7.358 13.565 ( 10.294 11.483 4.959) 16.199 13.691 ( 9.659 9.902 -7.240) 15.613 13.963 ( 3.790 2.125 3.262) 5.434 14.010 ( 4.405 -1.935 -1.658) 5.089 14.264 ( 13.587 -13.389 6.390) 20.117 14.393 ( 7.815 -8.772 -5.162) 12.833 14.499 ( 1.102 10.526 0.802) 10.614 14.523 ( 3.268 7.340 -1.115) 8.111 14.917 ( 3.403 -0.364 2.704) 4.362 14.971 ( 2.281 2.832 -2.194) 4.248 15.994 ( -7.304 -8.275 0.391) 11.045 16.003 ( -6.858 -12.164 -0.381) 13.969 16.302 ( 0.671 -12.163 1.305) 12.251 16.334 ( 0.868 -14.053 -1.573) 14.168 16.509 ( -1.991 -15.457 3.635) 16.003 16.587 ( -2.329 -17.576 -3.336) 18.041 22.271 ( -0.794 17.676 0.718) 17.709 22.288 ( -0.863 17.087 -0.799) 17.127 22.310 ( -0.001 16.962 0.464) 16.968 22.319 ( -0.011 16.882 -0.395) 16.886 ======================= Grid point 128 (51/56) ======================= q-point: ( 0.29 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -7.975 4.789 1.727) 9.461 1.058 ( -8.651 2.111 -2.213) 9.176 1.566 ( -3.156 -10.033 2.928) 10.918 1.623 ( -3.860 -8.894 -2.140) 9.929 2.044 ( 18.034 -3.655 3.299) 18.694 2.118 ( 18.890 -6.007 -3.106) 20.064 2.593 ( -1.237 -3.325 1.428) 3.825 2.619 ( -1.876 -1.996 -0.948) 2.899 2.915 ( 3.741 13.010 3.966) 14.107 3.016 ( 2.342 9.966 -5.155) 11.462 3.096 ( -3.062 7.312 0.573) 7.947 3.112 ( 0.436 7.026 -0.568) 7.063 3.205 ( -2.268 7.132 1.955) 7.735 3.240 ( -1.182 6.722 -1.474) 6.982 3.419 ( -3.556 9.921 1.658) 10.668 3.481 ( -3.505 8.384 -3.452) 9.721 3.604 ( 3.436 7.761 2.669) 8.897 3.621 ( -0.229 2.716 0.574) 2.785 3.765 ( 2.231 5.532 0.919) 6.035 3.824 ( -0.309 7.005 -3.104) 7.668 3.972 ( 6.018 -1.377 6.115) 8.689 4.127 ( 4.941 -4.104 -8.808) 10.902 4.488 ( 4.293 6.781 2.671) 8.459 4.533 ( 4.848 9.432 -1.984) 10.789 4.781 ( 3.342 -4.910 3.333) 6.810 4.878 ( 3.433 -0.503 1.435) 3.754 4.953 ( 1.182 -4.836 0.979) 5.074 5.164 ( -4.040 -6.048 -10.648) 12.895 5.231 ( -2.165 5.641 9.716) 11.441 5.343 ( -3.636 0.524 -0.795) 3.759 5.464 ( 4.538 2.506 2.019) 5.563 5.548 ( 3.194 6.224 -4.775) 8.470 5.693 ( 0.650 0.391 2.276) 2.399 5.741 ( 0.703 3.114 -3.623) 4.829 6.003 ( -9.237 1.783 6.159) 11.244 6.096 ( -8.755 1.306 -2.717) 9.260 6.309 ( 2.411 8.673 3.077) 9.513 6.377 ( -2.240 7.605 -2.779) 8.401 6.541 ( 4.730 -0.940 1.613) 5.085 6.586 ( 2.345 -0.399 -2.520) 3.465 6.815 ( -10.174 7.517 0.938) 12.685 6.845 ( -9.783 8.658 -1.711) 13.176 7.174 ( -7.070 -5.338 4.280) 9.838 7.245 ( -10.053 -7.001 -1.952) 12.405 8.059 ( 15.960 -1.127 0.975) 16.029 8.101 ( 12.288 -1.437 -2.328) 12.589 8.262 ( 2.977 3.082 4.841) 6.466 8.350 ( 3.275 -0.585 -3.423) 4.774 8.429 ( 0.860 -0.397 5.625) 5.704 8.570 ( 2.280 1.326 -7.232) 7.698 8.633 ( 5.607 -2.288 1.928) 6.355 8.762 ( 4.007 0.679 -7.596) 8.615 9.160 ( 3.718 4.099 5.177) 7.578 9.245 ( 1.334 1.857 -1.802) 2.911 9.334 ( -1.356 1.920 3.532) 4.243 9.414 ( -1.838 1.002 -4.030) 4.541 9.631 ( 1.754 5.981 4.114) 7.468 9.687 ( 3.268 4.802 -0.033) 5.809 10.008 ( 2.252 7.037 1.690) 7.579 10.074 ( 7.819 7.050 -3.157) 10.991 10.207 ( 2.960 4.007 7.893) 9.334 10.362 ( -7.708 4.743 -4.416) 10.070 10.475 ( -3.832 0.622 0.718) 3.948 10.541 ( -4.692 -2.005 -3.411) 6.138 10.646 ( 2.621 -5.321 2.371) 6.387 10.728 ( 1.459 -9.454 -5.710) 11.141 10.956 ( -7.753 -4.393 2.626) 9.290 10.999 ( -8.478 -5.024 -1.843) 10.026 11.163 ( -4.220 -3.331 5.101) 7.412 11.259 ( -6.635 -3.384 -3.781) 8.353 11.390 ( -3.522 -3.717 0.968) 5.211 11.410 ( -4.179 -4.732 -0.389) 6.325 12.868 ( -2.236 -2.007 4.460) 5.378 12.971 ( -3.933 -5.513 -4.748) 8.271 13.096 ( -7.806 -4.725 0.564) 9.143 13.104 ( -6.438 -5.467 0.061) 8.446 13.792 ( 12.161 12.520 3.403) 17.783 13.882 ( 9.237 9.455 -4.985) 14.127 14.047 ( 4.476 3.728 2.160) 6.212 14.086 ( 3.183 1.579 -1.611) 3.901 14.463 ( 1.192 4.888 0.972) 5.125 14.486 ( 2.293 9.374 -1.296) 9.737 14.642 ( 18.803 -6.842 4.353) 20.478 14.720 ( 16.897 -7.133 -2.907) 18.569 15.012 ( 6.845 -1.050 0.634) 6.954 15.029 ( 3.541 2.303 -0.824) 4.304 15.808 ( -12.497 -7.388 0.516) 14.527 15.818 ( -12.881 -11.065 -0.366) 16.985 16.299 ( -0.906 -14.745 1.568) 14.856 16.342 ( -0.612 -15.460 -2.473) 15.669 16.465 ( -2.095 -16.620 3.515) 17.116 16.532 ( -3.174 -18.351 -2.698) 18.818 22.255 ( -0.846 18.410 0.536) 18.437 22.267 ( -1.199 17.977 -0.587) 18.027 22.312 ( 0.124 16.916 0.331) 16.920 22.318 ( -0.089 16.843 -0.289) 16.845 ======================= Grid point 129 (52/56) ======================= q-point: ( 0.43 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -2.619 7.431 0.569) 7.900 0.927 ( -4.640 6.131 -1.265) 7.792 1.526 ( -0.604 -9.703 1.387) 9.820 1.550 ( -3.069 -9.105 -0.787) 9.641 2.330 ( 11.730 -4.511 2.787) 12.873 2.403 ( 9.268 -7.063 -3.923) 12.296 2.529 ( -3.882 -4.625 2.367) 6.485 2.575 ( -3.682 -5.332 -1.925) 6.760 2.964 ( 2.217 12.093 3.352) 12.743 3.025 ( -4.161 9.798 2.733) 10.990 3.049 ( 1.625 11.616 -4.392) 12.525 3.087 ( -2.275 10.757 -2.754) 11.335 3.217 ( 2.605 6.446 2.037) 7.245 3.246 ( 0.376 6.742 -0.685) 6.787 3.372 ( -0.689 10.034 0.727) 10.084 3.407 ( -3.702 8.998 -2.230) 9.982 3.628 ( 1.227 5.192 1.514) 5.546 3.644 ( 0.190 5.008 0.084) 5.013 3.790 ( 1.151 9.134 1.979) 9.417 3.813 ( -1.141 9.312 0.276) 9.386 4.106 ( 6.971 -1.025 2.631) 7.521 4.183 ( -0.385 -1.316 -4.234) 4.450 4.554 ( 3.444 0.460 -0.459) 3.504 4.590 ( 0.764 4.964 -3.943) 6.385 4.829 ( 1.765 -6.158 2.536) 6.890 4.878 ( -3.100 -3.112 -0.705) 4.449 4.993 ( 3.682 -8.062 0.838) 8.903 5.076 ( -4.898 -8.329 -4.335) 10.590 5.257 ( 4.560 7.317 6.816) 10.991 5.323 ( -1.070 8.408 1.362) 8.584 5.544 ( 4.906 -2.137 2.369) 5.852 5.619 ( 0.187 1.151 -1.761) 2.112 5.742 ( 4.787 2.015 0.240) 5.200 5.763 ( 2.118 1.157 -2.443) 3.434 5.855 ( -5.223 0.631 1.563) 5.489 5.916 ( -9.514 1.284 -3.310) 10.155 6.357 ( 0.943 12.867 0.245) 12.904 6.361 ( 1.862 11.999 -0.086) 12.143 6.554 ( -2.244 3.816 0.836) 4.505 6.586 ( -3.542 4.341 -2.025) 5.957 6.722 ( 0.535 5.711 1.325) 5.887 6.730 ( -0.813 5.806 0.530) 5.886 7.037 ( -5.397 -5.970 1.522) 8.190 7.060 ( -7.794 -6.637 -0.488) 10.248 8.268 ( 5.458 1.422 1.995) 5.983 8.282 ( 4.196 3.058 1.213) 5.332 8.330 ( 5.264 0.468 5.427) 7.575 8.407 ( -1.386 0.834 6.140) 6.350 8.490 ( 8.097 -0.272 -7.142) 10.800 8.593 ( -1.311 1.773 -9.027) 9.292 8.728 ( 4.425 -3.188 -1.545) 5.669 8.787 ( -1.387 -1.478 -6.124) 6.451 9.217 ( 2.699 1.922 4.377) 5.489 9.262 ( -1.208 1.917 1.708) 2.837 9.312 ( 1.255 -0.635 1.196) 1.846 9.364 ( -3.131 -0.555 -2.550) 4.076 9.739 ( 10.122 8.515 3.537) 13.692 9.785 ( 6.956 6.329 0.050) 9.405 9.939 ( -8.166 7.451 4.446) 11.915 9.996 ( -15.431 8.425 0.508) 17.589 10.281 ( 8.497 5.418 2.817) 10.463 10.378 ( 6.048 3.607 -4.431) 8.320 10.463 ( -0.984 2.032 0.009) 2.258 10.503 ( -3.190 1.179 -2.708) 4.347 10.587 ( -2.040 -2.448 0.779) 3.281 10.641 ( -7.247 -2.994 -3.414) 8.552 10.851 ( -3.056 -12.985 0.989) 13.376 10.870 ( -4.608 -12.943 -0.857) 13.766 11.195 ( 5.374 -1.702 2.255) 6.071 11.232 ( 2.294 -2.417 -1.066) 3.498 11.323 ( -3.805 -4.281 0.635) 5.762 11.336 ( -4.105 -5.033 -0.356) 6.505 12.859 ( 1.368 -5.084 2.883) 6.002 12.909 ( -3.170 -7.353 -0.941) 8.063 12.986 ( -2.701 -4.405 -0.370) 5.180 13.004 ( -3.798 -5.899 -1.253) 7.127 13.971 ( 6.198 8.914 1.255) 10.929 14.002 ( 2.933 6.611 -1.474) 7.381 14.108 ( 1.842 5.156 0.171) 5.478 14.120 ( 0.501 4.745 -0.878) 4.852 14.473 ( 0.642 12.301 1.017) 12.360 14.490 ( -0.859 14.338 -0.514) 14.373 14.961 ( 10.568 -2.674 2.587) 11.204 15.019 ( 6.159 -4.243 -2.634) 7.930 15.138 ( 14.937 -5.439 2.422) 16.080 15.195 ( 13.574 -3.451 -2.785) 14.280 15.527 ( -17.411 -12.601 0.942) 21.513 15.537 ( -16.115 -6.875 -0.042) 17.520 16.285 ( -0.055 -15.716 0.991) 15.747 16.308 ( -2.291 -15.708 -1.065) 15.910 16.451 ( 0.578 -18.819 1.184) 18.865 16.479 ( -2.306 -19.256 -1.314) 19.438 22.244 ( -0.203 18.906 0.199) 18.908 22.249 ( -0.684 18.752 -0.208) 18.766 22.314 ( 0.136 16.851 0.108) 16.852 22.316 ( -0.119 16.829 -0.106) 16.829 ======================= Grid point 133 (53/56) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 -1.777 -1.818) 2.542 1.104 ( 0.000 -3.620 -3.854) 5.288 1.423 ( 0.000 -0.242 8.532) 8.535 1.490 ( 0.000 -6.381 6.052) 8.794 1.615 ( 0.000 1.027 -2.467) 2.672 1.689 ( 0.000 -5.905 -5.261) 7.909 2.565 ( 0.000 -0.084 0.640) 0.646 2.590 ( 0.000 -2.683 -1.529) 3.088 2.989 ( 0.000 5.421 2.176) 5.842 3.025 ( 0.000 1.283 -0.994) 1.623 3.119 ( 0.000 1.727 1.108) 2.052 3.151 ( 0.000 -1.343 -1.773) 2.224 3.437 ( 0.000 2.664 -1.024) 2.854 3.439 ( 0.000 2.858 -1.367) 3.168 3.593 ( 0.000 7.720 0.783) 7.760 3.628 ( 0.000 9.034 -2.248) 9.310 3.708 ( 0.000 2.528 2.070) 3.268 3.716 ( 0.000 2.266 2.490) 3.367 3.811 ( 0.000 3.573 5.893) 6.892 3.866 ( 0.000 1.485 -0.848) 1.710 3.926 ( 0.000 -2.149 -3.226) 3.876 3.931 ( 0.000 -3.362 -4.975) 6.005 4.547 ( 0.000 6.122 2.467) 6.601 4.571 ( 0.000 8.206 -0.151) 8.207 4.665 ( 0.000 0.830 -1.939) 2.110 4.749 ( 0.000 -7.325 -5.079) 8.913 4.772 ( 0.000 -1.120 5.536) 5.648 4.957 ( 0.000 -15.498 -7.055) 17.028 5.396 ( 0.000 2.548 13.991) 14.221 5.407 ( 0.000 2.296 12.397) 12.608 5.636 ( 0.000 0.981 -6.731) 6.802 5.639 ( 0.000 0.526 -7.044) 7.063 5.932 ( 0.000 5.095 -0.952) 5.184 5.971 ( 0.000 1.480 -4.789) 5.012 6.107 ( 0.000 4.601 1.715) 4.910 6.164 ( 0.000 0.018 -3.195) 3.195 6.353 ( 0.000 -0.191 0.645) 0.672 6.394 ( 0.000 -1.520 -0.088) 1.522 6.415 ( 0.000 2.325 2.275) 3.253 6.493 ( 0.000 -3.083 -2.261) 3.823 7.144 ( 0.000 0.138 2.867) 2.871 7.150 ( 0.000 -0.741 2.800) 2.896 7.280 ( 0.000 3.994 3.887) 5.574 7.355 ( 0.000 -3.343 0.559) 3.389 7.569 ( 0.000 1.750 -4.881) 5.185 7.666 ( 0.000 -7.218 -10.486) 12.730 8.283 ( 0.000 3.454 4.941) 6.029 8.330 ( 0.000 -2.237 -1.543) 2.718 8.339 ( 0.000 -0.336 7.788) 7.795 8.388 ( 0.000 -4.148 8.379) 9.349 8.628 ( 0.000 5.059 -5.704) 7.624 8.683 ( 0.000 -0.435 -7.750) 7.762 9.139 ( 0.000 4.857 7.416) 8.865 9.214 ( 0.000 -2.780 7.509) 8.007 9.333 ( 0.000 4.475 -10.040) 10.992 9.400 ( 0.000 -2.131 -9.366) 9.606 9.788 ( 0.000 3.899 4.811) 6.192 9.806 ( 0.000 2.181 3.434) 4.068 9.986 ( 0.000 5.043 -0.104) 5.044 10.009 ( 0.000 5.141 -2.843) 5.875 10.172 ( 0.000 -5.578 3.207) 6.435 10.223 ( 0.000 -7.870 -1.770) 8.066 10.455 ( 0.000 6.915 1.314) 7.039 10.516 ( 0.000 1.465 -4.695) 4.919 10.700 ( 0.000 -2.888 1.072) 3.080 10.704 ( 0.000 -3.007 1.401) 3.318 11.112 ( 0.000 0.158 1.101) 1.112 11.140 ( 0.000 1.444 -1.321) 1.957 11.150 ( 0.000 -4.119 3.007) 5.100 11.224 ( 0.000 -6.772 -3.463) 7.606 11.648 ( 0.000 0.762 1.034) 1.284 11.664 ( 0.000 -0.904 -0.375) 0.978 13.017 ( 0.000 3.518 2.460) 4.293 13.076 ( 0.000 -0.444 -2.877) 2.911 13.164 ( 0.000 -4.335 1.407) 4.557 13.197 ( 0.000 -5.656 -1.660) 5.895 13.650 ( 0.000 8.479 3.698) 9.251 13.732 ( 0.000 3.108 -3.670) 4.809 13.878 ( 0.000 -1.481 0.460) 1.551 13.909 ( 0.000 -1.782 -1.859) 2.575 14.023 ( 0.000 -0.190 5.373) 5.377 14.105 ( 0.000 -8.388 -2.302) 8.698 14.670 ( 0.000 6.680 -0.483) 6.697 14.694 ( 0.000 5.920 -3.316) 6.786 14.905 ( 0.000 2.281 4.479) 5.027 14.968 ( 0.000 -1.907 -1.651) 2.522 15.891 ( 0.000 -4.022 0.954) 4.134 15.912 ( 0.000 -5.468 -0.956) 5.551 16.168 ( 0.000 -2.757 0.109) 2.759 16.168 ( 0.000 -3.122 0.055) 3.122 16.333 ( 0.000 -4.251 1.259) 4.434 16.363 ( 0.000 -7.184 -1.412) 7.322 22.519 ( 0.000 6.447 0.365) 6.457 22.526 ( 0.000 5.902 -0.201) 5.906 22.538 ( 0.000 5.833 0.148) 5.835 22.543 ( 0.000 5.447 -0.312) 5.455 ======================= Grid point 134 (54/56) ======================= q-point: ( 0.14 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 4.199 2.378 -1.196) 4.972 1.178 ( 3.015 0.705 -2.527) 3.996 1.431 ( -2.127 -5.829 4.697) 7.782 1.450 ( -1.609 -7.285 3.620) 8.292 1.709 ( 10.852 -0.615 -0.555) 10.884 1.738 ( 8.521 -3.456 -2.553) 9.544 2.559 ( -0.871 -0.746 0.690) 1.339 2.583 ( -0.999 -2.972 -1.315) 3.400 3.029 ( 3.868 5.388 1.868) 6.890 3.061 ( 3.549 1.703 -0.966) 4.053 3.134 ( 1.630 1.713 0.786) 2.492 3.157 ( 0.723 -0.412 -1.283) 1.529 3.440 ( -1.021 6.383 0.305) 6.472 3.470 ( 2.307 4.935 -2.685) 6.073 3.578 ( -2.205 4.751 0.071) 5.238 3.606 ( -0.727 3.580 -2.495) 4.424 3.670 ( -3.156 2.285 2.470) 4.614 3.706 ( -0.378 0.872 0.289) 0.993 3.819 ( 1.973 7.275 5.402) 9.274 3.891 ( 1.844 0.309 0.107) 1.872 3.914 ( 0.865 1.149 -1.745) 2.262 3.973 ( 2.907 -3.745 -3.789) 6.069 4.575 ( 1.674 5.427 6.436) 8.583 4.639 ( 4.795 5.700 -0.210) 7.452 4.672 ( 1.225 1.958 -3.229) 3.970 4.761 ( -0.601 -3.451 7.045) 7.868 4.777 ( 2.986 -5.356 -10.080) 11.799 4.955 ( 0.313 -14.798 -8.770) 17.205 5.372 ( -4.133 0.391 12.649) 13.313 5.379 ( -4.596 0.669 12.359) 13.202 5.571 ( -3.463 3.239 -4.650) 6.641 5.606 ( -2.434 -0.118 -6.786) 7.211 5.792 ( -6.051 4.141 0.093) 7.333 5.831 ( -5.839 1.061 -3.885) 7.093 6.229 ( -8.425 2.754 1.670) 9.020 6.258 ( -3.465 1.036 -1.381) 3.871 6.323 ( 8.492 2.936 1.115) 9.054 6.366 ( 7.841 -1.974 -1.842) 8.292 6.472 ( 3.095 2.728 2.380) 4.763 6.532 ( 2.228 -2.245 -2.530) 4.051 7.066 ( -6.333 1.897 1.479) 6.774 7.089 ( -5.301 0.151 -0.459) 5.323 7.237 ( -5.222 1.737 4.485) 7.099 7.293 ( -6.375 -3.666 0.174) 7.356 7.730 ( 14.870 0.984 -3.160) 15.234 7.789 ( 12.262 -4.722 -7.619) 15.189 8.295 ( 1.214 3.105 3.902) 5.132 8.315 ( 0.068 -0.290 0.316) 0.434 8.375 ( 2.397 -0.989 6.462) 6.963 8.423 ( 3.436 -4.650 5.840) 8.218 8.639 ( 1.334 4.578 -5.951) 7.625 8.698 ( 1.742 -1.116 -8.011) 8.274 9.180 ( 3.359 4.147 6.966) 8.776 9.237 ( 1.710 -1.621 6.031) 6.475 9.363 ( 2.429 3.331 -6.074) 7.341 9.414 ( 1.101 -1.570 -6.813) 7.078 9.745 ( -3.344 3.086 3.436) 5.702 9.759 ( -3.244 1.724 2.295) 4.332 10.040 ( 5.845 5.077 -0.627) 7.768 10.055 ( 4.767 5.005 -2.804) 7.459 10.242 ( 5.970 -1.394 3.849) 7.239 10.300 ( 7.022 -6.461 -1.733) 9.699 10.456 ( 0.439 2.278 0.813) 2.459 10.496 ( -1.864 -0.457 -3.526) 4.014 10.633 ( -6.920 -2.083 1.189) 7.323 10.646 ( -5.731 -2.987 -0.033) 6.463 11.076 ( -4.168 1.062 1.911) 4.707 11.110 ( -4.169 -0.047 -0.516) 4.201 11.155 ( 0.310 -1.920 1.949) 2.753 11.227 ( -0.083 -6.423 -3.716) 7.421 11.520 ( -11.326 0.585 0.909) 11.377 11.531 ( -11.809 -0.625 -0.045) 11.825 12.959 ( -5.355 2.828 2.311) 6.482 13.014 ( -5.773 -1.084 -2.738) 6.481 13.103 ( -5.889 -4.447 1.451) 7.521 13.130 ( -6.568 -5.402 -1.041) 8.568 13.781 ( 11.892 9.277 2.991) 15.376 13.862 ( 10.799 5.347 -4.726) 12.943 13.949 ( 6.648 -2.890 0.488) 7.265 13.968 ( 5.510 -1.532 -1.199) 5.844 14.114 ( 10.633 -1.709 5.524) 12.103 14.190 ( 9.363 -8.373 -1.761) 12.684 14.694 ( 2.739 7.107 -0.641) 7.643 14.719 ( 2.590 6.411 -3.407) 7.708 14.931 ( 2.708 1.974 4.367) 5.505 14.991 ( 2.377 -1.789 -1.508) 3.336 15.838 ( -5.792 -3.560 1.043) 6.878 15.861 ( -5.528 -5.029 -1.061) 7.548 16.149 ( -1.703 -3.131 0.577) 3.610 16.161 ( -1.045 -4.094 -0.497) 4.255 16.308 ( -2.676 -4.519 1.239) 5.396 16.337 ( -2.795 -7.295 -1.312) 7.921 22.516 ( -0.257 6.655 0.359) 6.670 22.524 ( -0.215 6.165 -0.333) 6.178 22.535 ( -0.187 5.671 0.277) 5.681 22.542 ( -0.148 5.339 -0.302) 5.349 ======================= Grid point 135 (55/56) ======================= q-point: ( 0.29 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -3.810 7.251 0.612) 8.214 1.166 ( -3.557 9.414 -0.935) 10.107 1.349 ( -3.933 -10.402 3.196) 11.571 1.408 ( -4.037 -11.821 -2.127) 12.671 1.992 ( 17.031 -1.077 1.109) 17.101 2.015 ( 17.195 -3.522 -0.910) 17.576 2.524 ( -3.112 -1.767 0.811) 3.670 2.546 ( -3.085 -3.600 -1.118) 4.871 3.105 ( 3.478 6.044 1.460) 7.125 3.131 ( 2.759 3.558 -0.969) 4.605 3.177 ( 2.938 0.821 0.700) 3.130 3.186 ( 2.789 0.287 -0.439) 2.838 3.389 ( -3.365 9.763 1.837) 10.488 3.446 ( -4.306 9.089 -3.092) 10.522 3.531 ( -3.195 -0.928 0.623) 3.385 3.550 ( -4.612 -1.445 -0.470) 4.856 3.687 ( 4.779 6.162 0.243) 7.802 3.757 ( 4.382 2.640 -5.424) 7.456 3.876 ( 3.149 4.746 3.279) 6.572 3.916 ( 0.684 -0.177 -0.271) 0.757 3.984 ( 6.930 4.672 3.756) 9.163 4.055 ( 6.987 -2.143 -2.459) 7.711 4.559 ( -3.754 2.345 10.927) 11.790 4.669 ( -0.806 -5.913 2.586) 6.503 4.690 ( -0.768 4.560 -4.536) 6.478 4.755 ( 0.036 -8.365 -2.344) 8.687 4.856 ( 2.749 0.452 -7.997) 8.469 4.976 ( -0.384 -9.920 -10.768) 14.646 5.267 ( -2.286 -0.030 7.688) 8.021 5.286 ( -0.443 -2.565 5.748) 6.310 5.565 ( 0.880 4.422 4.025) 6.044 5.611 ( 1.451 -0.241 0.809) 1.679 5.747 ( 0.989 3.980 0.094) 4.102 5.787 ( 0.130 0.537 -3.403) 3.447 6.043 ( -10.502 2.452 0.623) 10.803 6.092 ( -10.378 -1.793 -3.898) 11.230 6.458 ( 4.933 5.737 2.764) 8.055 6.502 ( 3.962 4.934 -1.223) 6.445 6.529 ( 4.247 -1.122 2.167) 4.898 6.577 ( 3.093 -1.783 -2.208) 4.198 6.939 ( -7.033 4.806 1.066) 8.585 6.972 ( -7.302 3.113 -2.020) 8.191 7.097 ( -8.990 -1.789 3.425) 9.785 7.134 ( -10.085 -4.249 -0.029) 10.943 8.050 ( 17.472 0.396 -1.153) 17.514 8.071 ( 16.349 -1.491 -2.714) 16.640 8.320 ( 1.682 2.157 2.275) 3.558 8.348 ( 3.157 -0.115 -1.469) 3.484 8.426 ( 3.123 1.450 6.022) 6.937 8.501 ( 4.745 -5.043 1.486) 7.082 8.674 ( 1.924 3.658 -5.884) 7.190 8.740 ( 1.985 -2.610 -8.505) 9.115 9.226 ( 1.370 2.507 4.483) 5.315 9.256 ( 0.456 -0.479 2.630) 2.712 9.376 ( -1.788 2.071 1.294) 3.027 9.410 ( -2.293 -1.205 -1.317) 2.906 9.732 ( 3.285 3.460 2.490) 5.382 9.754 ( 3.550 1.325 0.871) 3.888 10.144 ( 2.316 5.870 -0.049) 6.310 10.183 ( 6.385 2.911 -2.436) 7.428 10.318 ( 2.012 6.430 3.880) 7.775 10.413 ( 2.692 -1.469 -3.744) 4.839 10.453 ( -2.918 -1.615 -0.022) 3.335 10.475 ( -6.818 -0.710 0.341) 6.864 10.513 ( 5.387 -7.093 -0.231) 8.910 10.553 ( -0.775 -5.998 -2.710) 6.627 10.916 ( -13.322 -0.285 1.957) 13.468 10.933 ( -14.666 -1.882 0.539) 14.796 11.162 ( 0.831 2.187 1.341) 2.697 11.214 ( -0.917 -2.231 -3.367) 4.142 11.339 ( -6.203 -0.964 1.377) 6.427 11.352 ( -5.935 -1.749 0.066) 6.188 12.855 ( -4.924 1.401 1.768) 5.416 12.899 ( -5.740 -1.723 -2.321) 6.427 12.974 ( -7.104 -4.995 1.121) 8.756 12.989 ( -7.579 -5.026 -0.336) 9.100 13.988 ( 8.574 6.879 1.113) 11.049 14.022 ( 6.088 4.417 -1.908) 7.760 14.068 ( 5.146 -1.247 0.002) 5.295 14.074 ( 4.879 -1.632 -0.621) 5.183 14.437 ( 20.610 -1.794 2.766) 20.872 14.464 ( 19.903 -4.132 0.554) 20.335 14.781 ( 6.849 6.863 -1.958) 9.892 14.784 ( 4.037 8.381 -2.613) 9.662 15.003 ( 5.039 0.274 3.376) 6.072 15.047 ( 3.277 -1.686 -0.813) 3.774 15.670 ( -12.232 -2.547 1.378) 12.571 15.703 ( -11.584 -4.451 -1.458) 12.496 16.110 ( -2.154 -3.773 0.980) 4.454 16.134 ( -1.604 -5.629 -1.203) 5.975 16.239 ( -4.436 -5.482 1.367) 7.183 16.266 ( -4.429 -7.940 -1.135) 9.162 22.511 ( -0.262 7.082 0.285) 7.093 22.517 ( -0.421 6.867 -0.341) 6.888 22.533 ( -0.073 5.204 0.291) 5.213 22.538 ( -0.212 5.121 -0.235) 5.131 ======================= Grid point 136 (56/56) ======================= q-point: ( 0.43 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -1.779 9.877 0.146) 10.037 1.096 ( -2.687 11.154 -0.595) 11.488 1.305 ( -0.533 -11.669 1.141) 11.736 1.333 ( -3.283 -12.065 -1.298) 12.571 2.265 ( 11.555 -1.249 0.979) 11.663 2.290 ( 11.382 -3.700 -1.276) 12.036 2.438 ( -6.075 -2.545 1.129) 6.682 2.462 ( -6.113 -4.552 -0.973) 7.683 3.145 ( 0.978 7.087 1.103) 7.239 3.153 ( 0.105 6.016 0.439) 6.033 3.231 ( 2.154 0.237 -0.129) 2.170 3.239 ( 1.671 -0.935 -0.542) 1.991 3.350 ( -0.426 9.327 1.006) 9.391 3.372 ( -2.815 8.674 -0.839) 9.158 3.477 ( -1.790 -1.293 -0.067) 2.209 3.481 ( -2.224 -1.055 -0.270) 2.476 3.771 ( 3.310 8.744 -0.563) 9.366 3.802 ( 0.178 8.155 -2.940) 8.670 3.911 ( 0.853 -0.998 0.177) 1.325 3.920 ( -0.170 -0.632 -0.209) 0.687 4.156 ( 9.866 8.119 4.534) 13.558 4.219 ( 6.823 5.964 -1.538) 9.192 4.468 ( -3.099 -6.218 8.269) 10.800 4.557 ( -8.704 -9.633 0.937) 13.016 4.726 ( 3.661 -0.887 -2.470) 4.505 4.790 ( 3.797 -8.137 -5.069) 10.311 4.814 ( -5.202 -1.015 -3.955) 6.613 4.890 ( -6.486 -8.178 -6.369) 12.228 5.363 ( 9.370 3.685 5.526) 11.485 5.405 ( 9.419 -0.111 1.490) 9.537 5.538 ( -4.101 2.263 8.194) 9.438 5.592 ( -4.920 -2.588 4.703) 7.282 5.798 ( 2.856 2.598 -2.414) 4.553 5.813 ( 2.487 1.983 -4.214) 5.280 5.877 ( -5.632 1.610 -1.724) 6.106 5.918 ( -7.279 -1.476 -4.722) 8.801 6.546 ( 4.293 6.051 0.562) 7.440 6.555 ( 2.842 6.568 -0.236) 7.161 6.605 ( 2.667 0.738 1.020) 2.949 6.631 ( 1.270 -0.285 -1.296) 1.836 6.829 ( -3.196 4.705 1.480) 5.877 6.843 ( -4.728 4.645 0.221) 6.632 6.938 ( -6.537 -4.116 1.828) 7.938 6.952 ( -7.884 -4.456 0.547) 9.073 8.294 ( 7.259 1.580 2.878) 7.967 8.320 ( 8.174 -0.170 2.425) 8.528 8.349 ( 0.747 1.874 2.791) 3.443 8.395 ( 0.059 -1.975 2.941) 3.543 8.528 ( 8.729 3.712 -4.211) 10.378 8.604 ( 5.653 -2.419 -6.535) 8.974 8.677 ( -2.071 0.674 -4.803) 5.274 8.732 ( -3.489 -3.438 -7.683) 9.111 9.252 ( 2.119 1.621 3.342) 4.277 9.276 ( 2.050 -0.608 1.292) 2.498 9.315 ( -3.645 1.136 3.331) 5.067 9.343 ( -4.073 -1.385 0.861) 4.387 9.861 ( 10.096 3.368 1.935) 10.817 9.872 ( 8.534 2.132 1.215) 8.880 10.057 ( -9.916 4.212 2.850) 11.144 10.091 ( -13.120 1.217 0.497) 13.186 10.389 ( 6.483 4.703 1.175) 8.095 10.445 ( 4.424 0.552 -2.851) 5.292 10.475 ( 5.564 1.640 -0.822) 5.858 10.507 ( 2.819 -0.647 -3.927) 4.877 10.554 ( -3.168 -1.454 0.303) 3.499 10.579 ( -0.039 -3.303 -1.599) 3.670 10.659 ( -10.980 -4.472 1.340) 11.931 10.672 ( -9.038 -5.358 0.415) 10.515 11.198 ( 3.075 1.306 0.815) 3.439 11.217 ( 1.478 0.035 -0.966) 1.766 11.263 ( -3.103 -1.938 0.768) 3.739 11.270 ( -3.824 -1.960 0.137) 4.299 12.798 ( -0.840 -0.098 0.996) 1.306 12.820 ( -2.713 -1.169 -0.845) 3.072 12.870 ( -3.167 -5.586 0.324) 6.429 12.878 ( -3.716 -5.351 -0.320) 6.523 14.091 ( 2.672 3.583 0.070) 4.470 14.096 ( 1.924 2.988 -0.424) 3.579 14.133 ( 1.795 -0.950 -0.173) 2.038 14.135 ( 1.608 -1.157 -0.322) 2.007 14.727 ( 9.433 10.808 3.303) 14.721 14.795 ( 3.689 12.277 -2.644) 13.090 14.901 ( 13.592 -5.011 2.030) 14.628 14.954 ( 8.855 -0.567 -3.337) 9.480 15.109 ( 5.619 -0.525 2.259) 6.079 15.140 ( 11.569 -3.067 -0.956) 12.007 15.385 ( -17.914 -1.293 2.197) 18.095 15.434 ( -16.715 -4.404 -2.138) 17.417 16.086 ( 0.059 -3.563 0.797) 3.651 16.108 ( -1.408 -4.188 -1.245) 4.590 16.168 ( -1.962 -8.776 1.184) 9.070 16.188 ( -3.392 -9.413 -0.757) 10.034 22.508 ( -0.020 7.387 0.113) 7.388 22.510 ( -0.292 7.333 -0.121) 7.340 22.533 ( 0.060 4.952 0.100) 4.953 22.535 ( -0.166 4.951 -0.092) 4.954 =================== 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 3/26208 10.0 391.509 155.511 302.466 0.000 0.000 0.000 3/26208 20.0 47.252 32.055 54.996 0.000 0.000 -0.000 3/26208 30.0 19.147 16.406 23.010 0.000 0.000 -0.000 3/26208 40.0 11.316 11.610 13.549 0.000 0.000 -0.000 3/26208 50.0 7.982 9.369 9.439 0.000 0.000 -0.000 3/26208 60.0 6.186 7.984 7.216 0.000 0.000 -0.000 3/26208 70.0 5.070 6.985 5.838 0.000 0.000 -0.000 3/26208 80.0 4.307 6.211 4.902 0.000 0.000 -0.000 3/26208 90.0 3.752 5.589 4.225 0.000 0.000 -0.000 3/26208 100.0 3.329 5.081 3.714 0.000 0.000 -0.000 3/26208 110.0 2.997 4.659 3.314 0.000 0.000 -0.000 3/26208 120.0 2.728 4.305 2.994 0.000 0.000 -0.000 3/26208 130.0 2.506 4.005 2.731 0.000 0.000 -0.000 3/26208 140.0 2.320 3.748 2.511 0.000 0.000 -0.000 3/26208 150.0 2.161 3.526 2.324 0.000 0.000 -0.000 3/26208 160.0 2.023 3.333 2.165 0.000 0.000 -0.000 3/26208 170.0 1.903 3.163 2.026 0.000 0.000 -0.000 3/26208 180.0 1.797 3.012 1.904 0.000 0.000 -0.000 3/26208 190.0 1.703 2.877 1.796 0.000 0.000 -0.000 3/26208 200.0 1.619 2.756 1.701 0.000 0.000 -0.000 3/26208 210.0 1.543 2.647 1.615 0.000 0.000 -0.000 3/26208 220.0 1.473 2.547 1.537 0.000 0.000 -0.000 3/26208 230.0 1.410 2.455 1.467 0.000 0.000 -0.000 3/26208 240.0 1.353 2.370 1.403 0.000 0.000 -0.000 3/26208 250.0 1.300 2.292 1.345 0.000 0.000 -0.000 3/26208 260.0 1.251 2.219 1.291 0.000 0.000 -0.000 3/26208 270.0 1.206 2.152 1.242 0.000 0.000 -0.000 3/26208 280.0 1.163 2.088 1.196 0.000 0.000 -0.000 3/26208 290.0 1.124 2.028 1.153 0.000 0.000 -0.000 3/26208 300.0 1.088 1.972 1.114 0.000 0.000 -0.000 3/26208 310.0 1.053 1.919 1.077 0.000 0.000 -0.000 3/26208 320.0 1.021 1.869 1.043 0.000 0.000 -0.000 3/26208 330.0 0.991 1.822 1.010 0.000 0.000 -0.000 3/26208 340.0 0.962 1.776 0.980 0.000 0.000 -0.000 3/26208 350.0 0.935 1.733 0.951 0.000 0.000 -0.000 3/26208 360.0 0.910 1.692 0.925 0.000 0.000 -0.000 3/26208 370.0 0.886 1.653 0.899 0.000 0.000 -0.000 3/26208 380.0 0.863 1.616 0.875 0.000 0.000 -0.000 3/26208 390.0 0.841 1.580 0.852 0.000 0.000 -0.000 3/26208 400.0 0.821 1.546 0.831 0.000 0.000 -0.000 3/26208 410.0 0.801 1.513 0.810 0.000 0.000 -0.000 3/26208 420.0 0.782 1.482 0.791 0.000 0.000 -0.000 3/26208 430.0 0.764 1.452 0.772 0.000 0.000 -0.000 3/26208 440.0 0.747 1.423 0.754 0.000 0.000 -0.000 3/26208 450.0 0.731 1.395 0.737 0.000 0.000 -0.000 3/26208 460.0 0.715 1.368 0.721 0.000 0.000 -0.000 3/26208 470.0 0.700 1.342 0.706 0.000 0.000 -0.000 3/26208 480.0 0.686 1.317 0.691 0.000 0.000 -0.000 3/26208 490.0 0.672 1.293 0.677 0.000 0.000 -0.000 3/26208 500.0 0.659 1.270 0.663 0.000 0.000 -0.000 3/26208 510.0 0.646 1.248 0.650 0.000 0.000 -0.000 3/26208 520.0 0.634 1.226 0.637 0.000 0.000 -0.000 3/26208 530.0 0.622 1.205 0.625 0.000 0.000 -0.000 3/26208 540.0 0.611 1.185 0.613 0.000 0.000 -0.000 3/26208 550.0 0.600 1.165 0.602 0.000 0.000 -0.000 3/26208 560.0 0.589 1.146 0.591 0.000 0.000 -0.000 3/26208 570.0 0.579 1.128 0.581 0.000 0.000 -0.000 3/26208 580.0 0.569 1.110 0.571 0.000 0.000 -0.000 3/26208 590.0 0.560 1.093 0.561 0.000 0.000 -0.000 3/26208 600.0 0.550 1.076 0.552 0.000 0.000 -0.000 3/26208 610.0 0.541 1.059 0.543 0.000 0.000 -0.000 3/26208 620.0 0.533 1.044 0.534 0.000 0.000 -0.000 3/26208 630.0 0.524 1.028 0.525 0.000 0.000 -0.000 3/26208 640.0 0.516 1.013 0.517 0.000 0.000 -0.000 3/26208 650.0 0.508 0.999 0.509 0.000 0.000 -0.000 3/26208 660.0 0.501 0.985 0.501 0.000 0.000 -0.000 3/26208 670.0 0.493 0.971 0.494 0.000 0.000 -0.000 3/26208 680.0 0.486 0.958 0.486 0.000 0.000 -0.000 3/26208 690.0 0.479 0.945 0.479 0.000 0.000 -0.000 3/26208 700.0 0.472 0.932 0.473 0.000 0.000 -0.000 3/26208 710.0 0.466 0.920 0.466 0.000 0.000 -0.000 3/26208 720.0 0.459 0.908 0.459 0.000 0.000 -0.000 3/26208 730.0 0.453 0.896 0.453 0.000 0.000 -0.000 3/26208 740.0 0.447 0.884 0.447 0.000 0.000 -0.000 3/26208 750.0 0.441 0.873 0.441 0.000 0.000 -0.000 3/26208 760.0 0.435 0.862 0.435 0.000 0.000 -0.000 3/26208 770.0 0.430 0.852 0.429 0.000 0.000 -0.000 3/26208 780.0 0.424 0.841 0.424 0.000 0.000 -0.000 3/26208 790.0 0.419 0.831 0.419 0.000 0.000 -0.000 3/26208 800.0 0.414 0.821 0.413 0.000 0.000 -0.000 3/26208 810.0 0.409 0.812 0.408 0.000 0.000 -0.000 3/26208 820.0 0.404 0.802 0.403 0.000 0.000 -0.000 3/26208 830.0 0.399 0.793 0.398 0.000 0.000 -0.000 3/26208 840.0 0.394 0.784 0.394 0.000 0.000 -0.000 3/26208 850.0 0.390 0.775 0.389 0.000 0.000 -0.000 3/26208 860.0 0.385 0.767 0.384 0.000 0.000 -0.000 3/26208 870.0 0.381 0.758 0.380 0.000 0.000 -0.000 3/26208 880.0 0.376 0.750 0.376 0.000 0.000 -0.000 3/26208 890.0 0.372 0.742 0.371 0.000 0.000 -0.000 3/26208 900.0 0.368 0.734 0.367 0.000 0.000 -0.000 3/26208 910.0 0.364 0.726 0.363 0.000 0.000 -0.000 3/26208 920.0 0.360 0.719 0.359 0.000 0.000 -0.000 3/26208 930.0 0.356 0.711 0.355 0.000 0.000 -0.000 3/26208 940.0 0.352 0.704 0.352 0.000 0.000 -0.000 3/26208 950.0 0.349 0.697 0.348 0.000 0.000 -0.000 3/26208 960.0 0.345 0.690 0.344 0.000 0.000 -0.000 3/26208 970.0 0.342 0.683 0.341 0.000 0.000 -0.000 3/26208 980.0 0.338 0.676 0.337 0.000 0.000 -0.000 3/26208 990.0 0.335 0.669 0.334 0.000 0.000 -0.000 3/26208 1000.0 0.331 0.663 0.330 0.000 0.000 -0.000 3/26208 Thermal conductivity related properties were written into "kappa-m7133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:31:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|