----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:59:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.379008610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.379008610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.144737240000000 Atomic positions (fractional): *1 Na 0.46768977367847 0.19689605390289 0.50000000000000 22.990 2 Na 0.53231022632153 0.80310394609711 0.50000000000000 22.990 3 Na 0.03231022632153 0.69689605390289 0.00000000000000 22.990 4 Na 0.96768977367847 0.30310394609711 0.00000000000000 22.990 5 Na 0.19689605390289 0.46768977367847 0.50000000000000 22.990 6 Na 0.80310394609711 0.53231022632153 0.50000000000000 22.990 7 Na 0.69689605390289 0.03231022632153 0.00000000000000 22.990 8 Na 0.30310394609711 0.96768977367847 0.00000000000000 22.990 *9 Na 0.88422980869341 0.88422980869341 0.50000000000000 22.990 10 Na 0.11577019130659 0.11577019130659 0.50000000000000 22.990 11 Na 0.61577019130659 0.38422980869341 0.00000000000000 22.990 12 Na 0.38422980869341 0.61577019130659 0.00000000000000 22.990 *13 H 0.89654605074306 0.10345394925694 0.70316003091579 1.008 14 H 0.10345394925694 0.89654605074306 0.70316003091579 1.008 15 H 0.60345394925694 0.60345394925694 0.20316003091579 1.008 16 H 0.39654605074306 0.39654605074306 0.20316003091579 1.008 17 H 0.10345394925694 0.89654605074306 0.29683996908421 1.008 18 H 0.89654605074306 0.10345394925694 0.29683996908421 1.008 19 H 0.39654605074306 0.39654605074306 0.79683996908421 1.008 20 H 0.60345394925694 0.60345394925694 0.79683996908421 1.008 *21 H 0.75846754212751 0.24153245787249 0.20038778649142 1.008 22 H 0.24153245787249 0.75846754212751 0.20038778649142 1.008 23 H 0.74153245787249 0.74153245787249 0.70038778649142 1.008 24 H 0.25846754212751 0.25846754212751 0.70038778649142 1.008 25 H 0.24153245787249 0.75846754212751 0.79961221350858 1.008 26 H 0.75846754212751 0.24153245787249 0.79961221350858 1.008 27 H 0.25846754212751 0.25846754212751 0.29961221350857 1.008 28 H 0.74153245787249 0.74153245787249 0.29961221350857 1.008 *29 H 0.67589758765179 0.06565973981645 0.50000000000000 1.008 30 H 0.32410241234821 0.93434026018355 0.50000000000000 1.008 31 H 0.82410241234821 0.56565973981645 0.00000000000000 1.008 32 H 0.17589758765179 0.43434026018355 0.00000000000000 1.008 33 H 0.06565973981645 0.67589758765179 0.50000000000000 1.008 34 H 0.93434026018355 0.32410241234821 0.50000000000000 1.008 35 H 0.56565973981645 0.82410241234821 0.00000000000000 1.008 36 H 0.43434026018355 0.17589758765179 0.00000000000000 1.008 *37 H 0.67428093069339 0.32571906930661 0.50000000000000 1.008 38 H 0.32571906930661 0.67428093069339 0.50000000000000 1.008 39 H 0.82571906930661 0.82571906930661 0.00000000000000 1.008 40 H 0.17428093069339 0.17428093069339 0.00000000000000 1.008 *41 Ru 0.79890066937265 0.20109933062735 0.50000000000000 101.070 42 Ru 0.20109933062735 0.79890066937265 0.50000000000000 101.070 43 Ru 0.70109933062735 0.70109933062735 0.00000000000000 101.070 44 Ru 0.29890066937265 0.29890066937265 0.00000000000000 101.070 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.379008610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.379008610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.144737240000000 Atomic positions (fractional): *1 Na 0.46768977367847 0.19689605390289 0.50000000000000 22.990 > 1 2 Na 0.53231022632153 0.80310394609711 0.50000000000000 22.990 > 2 3 Na 0.03231022632153 0.69689605390289 0.00000000000000 22.990 > 3 4 Na 0.96768977367847 0.30310394609711 0.00000000000000 22.990 > 4 5 Na 0.19689605390289 0.46768977367847 0.50000000000000 22.990 > 5 6 Na 0.80310394609711 0.53231022632153 0.50000000000000 22.990 > 6 7 Na 0.69689605390289 0.03231022632153 0.00000000000000 22.990 > 7 8 Na 0.30310394609711 0.96768977367847 0.00000000000000 22.990 > 8 *9 Na 0.88422980869341 0.88422980869341 0.50000000000000 22.990 > 9 10 Na 0.11577019130659 0.11577019130659 0.50000000000000 22.990 > 10 11 Na 0.61577019130659 0.38422980869341 0.00000000000000 22.990 > 11 12 Na 0.38422980869341 0.61577019130659 0.00000000000000 22.990 > 12 *13 H 0.89654605074306 0.10345394925694 0.70316003091579 1.008 > 13 14 H 0.10345394925694 0.89654605074306 0.70316003091579 1.008 > 14 15 H 0.60345394925694 0.60345394925694 0.20316003091579 1.008 > 15 16 H 0.39654605074306 0.39654605074306 0.20316003091579 1.008 > 16 17 H 0.10345394925694 0.89654605074306 0.29683996908421 1.008 > 17 18 H 0.89654605074306 0.10345394925694 0.29683996908421 1.008 > 18 19 H 0.39654605074306 0.39654605074306 0.79683996908421 1.008 > 19 20 H 0.60345394925694 0.60345394925694 0.79683996908421 1.008 > 20 *21 H 0.75846754212751 0.24153245787249 0.20038778649142 1.008 > 21 22 H 0.24153245787249 0.75846754212751 0.20038778649142 1.008 > 22 23 H 0.74153245787249 0.74153245787249 0.70038778649142 1.008 > 23 24 H 0.25846754212751 0.25846754212751 0.70038778649142 1.008 > 24 25 H 0.24153245787249 0.75846754212751 0.79961221350858 1.008 > 25 26 H 0.75846754212751 0.24153245787249 0.79961221350858 1.008 > 26 27 H 0.25846754212751 0.25846754212751 0.29961221350857 1.008 > 27 28 H 0.74153245787249 0.74153245787249 0.29961221350857 1.008 > 28 *29 H 0.67589758765179 0.06565973981645 0.50000000000000 1.008 > 29 30 H 0.32410241234821 0.93434026018355 0.50000000000000 1.008 > 30 31 H 0.82410241234821 0.56565973981645 0.00000000000000 1.008 > 31 32 H 0.17589758765179 0.43434026018355 0.00000000000000 1.008 > 32 33 H 0.06565973981645 0.67589758765179 0.50000000000000 1.008 > 33 34 H 0.93434026018355 0.32410241234821 0.50000000000000 1.008 > 34 35 H 0.56565973981645 0.82410241234821 0.00000000000000 1.008 > 35 36 H 0.43434026018355 0.17589758765179 0.00000000000000 1.008 > 36 *37 H 0.67428093069339 0.32571906930661 0.50000000000000 1.008 > 37 38 H 0.32571906930661 0.67428093069339 0.50000000000000 1.008 > 38 39 H 0.82571906930661 0.82571906930661 0.00000000000000 1.008 > 39 40 H 0.17428093069339 0.17428093069339 0.00000000000000 1.008 > 40 *41 Ru 0.79890066937265 0.20109933062735 0.50000000000000 101.070 > 41 42 Ru 0.20109933062735 0.79890066937265 0.50000000000000 101.070 > 42 43 Ru 0.70109933062735 0.70109933062735 0.00000000000000 101.070 > 43 44 Ru 0.29890066937265 0.29890066937265 0.00000000000000 101.070 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.379008610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.379008610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.289474480000001 Atomic positions (fractional): *1 Na 0.46768977367847 0.19689605390289 0.25000000000000 22.990 > 1 2 Na 0.46768977367847 0.19689605390289 0.75000000000000 22.990 > 1 3 Na 0.53231022632153 0.80310394609711 0.25000000000000 22.990 > 2 4 Na 0.53231022632153 0.80310394609711 0.75000000000000 22.990 > 2 5 Na 0.03231022632153 0.69689605390289 0.00000000000000 22.990 > 3 6 Na 0.03231022632153 0.69689605390289 0.50000000000000 22.990 > 3 7 Na 0.96768977367847 0.30310394609711 0.00000000000000 22.990 > 4 8 Na 0.96768977367847 0.30310394609711 0.50000000000000 22.990 > 4 9 Na 0.19689605390289 0.46768977367847 0.25000000000000 22.990 > 5 10 Na 0.19689605390289 0.46768977367847 0.75000000000000 22.990 > 5 11 Na 0.80310394609711 0.53231022632153 0.25000000000000 22.990 > 6 12 Na 0.80310394609711 0.53231022632153 0.75000000000000 22.990 > 6 13 Na 0.69689605390289 0.03231022632153 0.00000000000000 22.990 > 7 14 Na 0.69689605390289 0.03231022632153 0.50000000000000 22.990 > 7 15 Na 0.30310394609711 0.96768977367847 0.00000000000000 22.990 > 8 16 Na 0.30310394609711 0.96768977367847 0.50000000000000 22.990 > 8 *17 Na 0.88422980869341 0.88422980869341 0.25000000000000 22.990 > 9 18 Na 0.88422980869341 0.88422980869341 0.75000000000000 22.990 > 9 19 Na 0.11577019130659 0.11577019130659 0.25000000000000 22.990 > 10 20 Na 0.11577019130659 0.11577019130659 0.75000000000000 22.990 > 10 21 Na 0.61577019130659 0.38422980869341 0.00000000000000 22.990 > 11 22 Na 0.61577019130659 0.38422980869341 0.50000000000000 22.990 > 11 23 Na 0.38422980869341 0.61577019130659 0.00000000000000 22.990 > 12 24 Na 0.38422980869341 0.61577019130659 0.50000000000000 22.990 > 12 *25 H 0.89654605074306 0.10345394925694 0.35158001545790 1.008 > 13 26 H 0.89654605074306 0.10345394925694 0.85158001545790 1.008 > 13 27 H 0.10345394925694 0.89654605074306 0.35158001545790 1.008 > 14 28 H 0.10345394925694 0.89654605074306 0.85158001545790 1.008 > 14 29 H 0.60345394925694 0.60345394925694 0.10158001545790 1.008 > 15 30 H 0.60345394925694 0.60345394925694 0.60158001545790 1.008 > 15 31 H 0.39654605074306 0.39654605074306 0.10158001545790 1.008 > 16 32 H 0.39654605074306 0.39654605074306 0.60158001545790 1.008 > 16 33 H 0.10345394925694 0.89654605074306 0.14841998454210 1.008 > 17 34 H 0.10345394925694 0.89654605074306 0.64841998454210 1.008 > 17 35 H 0.89654605074306 0.10345394925694 0.14841998454210 1.008 > 18 36 H 0.89654605074306 0.10345394925694 0.64841998454210 1.008 > 18 37 H 0.39654605074306 0.39654605074306 0.39841998454210 1.008 > 19 38 H 0.39654605074306 0.39654605074306 0.89841998454210 1.008 > 19 39 H 0.60345394925694 0.60345394925694 0.39841998454210 1.008 > 20 40 H 0.60345394925694 0.60345394925694 0.89841998454210 1.008 > 20 *41 H 0.75846754212751 0.24153245787249 0.10019389324571 1.008 > 21 42 H 0.75846754212751 0.24153245787249 0.60019389324571 1.008 > 21 43 H 0.24153245787249 0.75846754212751 0.10019389324571 1.008 > 22 44 H 0.24153245787249 0.75846754212751 0.60019389324571 1.008 > 22 45 H 0.74153245787249 0.74153245787249 0.35019389324571 1.008 > 23 46 H 0.74153245787249 0.74153245787249 0.85019389324571 1.008 > 23 47 H 0.25846754212751 0.25846754212751 0.35019389324571 1.008 > 24 48 H 0.25846754212751 0.25846754212751 0.85019389324571 1.008 > 24 49 H 0.24153245787249 0.75846754212751 0.39980610675429 1.008 > 25 50 H 0.24153245787249 0.75846754212751 0.89980610675429 1.008 > 25 51 H 0.75846754212751 0.24153245787249 0.39980610675429 1.008 > 26 52 H 0.75846754212751 0.24153245787249 0.89980610675429 1.008 > 26 53 H 0.25846754212751 0.25846754212751 0.14980610675429 1.008 > 27 54 H 0.25846754212751 0.25846754212751 0.64980610675429 1.008 > 27 55 H 0.74153245787249 0.74153245787249 0.14980610675429 1.008 > 28 56 H 0.74153245787249 0.74153245787249 0.64980610675429 1.008 > 28 *57 H 0.67589758765179 0.06565973981645 0.25000000000000 1.008 > 29 58 H 0.67589758765179 0.06565973981645 0.75000000000000 1.008 > 29 59 H 0.32410241234821 0.93434026018355 0.25000000000000 1.008 > 30 60 H 0.32410241234821 0.93434026018355 0.75000000000000 1.008 > 30 61 H 0.82410241234821 0.56565973981645 0.00000000000000 1.008 > 31 62 H 0.82410241234821 0.56565973981645 0.50000000000000 1.008 > 31 63 H 0.17589758765179 0.43434026018355 0.00000000000000 1.008 > 32 64 H 0.17589758765179 0.43434026018355 0.50000000000000 1.008 > 32 65 H 0.06565973981645 0.67589758765179 0.25000000000000 1.008 > 33 66 H 0.06565973981645 0.67589758765179 0.75000000000000 1.008 > 33 67 H 0.93434026018355 0.32410241234821 0.25000000000000 1.008 > 34 68 H 0.93434026018355 0.32410241234821 0.75000000000000 1.008 > 34 69 H 0.56565973981645 0.82410241234821 0.00000000000000 1.008 > 35 70 H 0.56565973981645 0.82410241234821 0.50000000000000 1.008 > 35 71 H 0.43434026018355 0.17589758765179 0.00000000000000 1.008 > 36 72 H 0.43434026018355 0.17589758765179 0.50000000000000 1.008 > 36 *73 H 0.67428093069339 0.32571906930661 0.25000000000000 1.008 > 37 74 H 0.67428093069339 0.32571906930661 0.75000000000000 1.008 > 37 75 H 0.32571906930661 0.67428093069339 0.25000000000000 1.008 > 38 76 H 0.32571906930661 0.67428093069339 0.75000000000000 1.008 > 38 77 H 0.82571906930661 0.82571906930661 0.00000000000000 1.008 > 39 78 H 0.82571906930661 0.82571906930661 0.50000000000000 1.008 > 39 79 H 0.17428093069339 0.17428093069339 0.00000000000000 1.008 > 40 80 H 0.17428093069339 0.17428093069339 0.50000000000000 1.008 > 40 *81 Ru 0.79890066937265 0.20109933062735 0.25000000000000 101.070 > 41 82 Ru 0.79890066937265 0.20109933062735 0.75000000000000 101.070 > 41 83 Ru 0.20109933062735 0.79890066937265 0.25000000000000 101.070 > 42 84 Ru 0.20109933062735 0.79890066937265 0.75000000000000 101.070 > 42 85 Ru 0.70109933062735 0.70109933062735 0.00000000000000 101.070 > 43 86 Ru 0.70109933062735 0.70109933062735 0.50000000000000 101.070 > 43 87 Ru 0.29890066937265 0.29890066937265 0.00000000000000 101.070 > 44 88 Ru 0.29890066937265 0.29890066937265 0.50000000000000 101.070 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5452036 0.0000000 0.0000000 0.0000000 3.5452036 0.0000000 0.0000000 0.0000000 3.6836277 -------------------------- Born effective charges -------------------------- 1 Na 1.1803533 0.0034696 0.0000000 0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 2 Na 1.1803533 0.0034696 0.0000000 0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 3 Na 1.1803533 -0.0034696 0.0000000 -0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 4 Na 1.1803533 -0.0034696 0.0000000 -0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 5 Na 0.8257058 0.0137383 0.0000000 0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 6 Na 0.8257058 0.0137383 0.0000000 0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 7 Na 0.8257058 -0.0137383 0.0000000 -0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 8 Na 0.8257058 -0.0137383 0.0000000 -0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 9 Na 1.0879087 -0.0733569 0.0000000 -0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 10 Na 1.0879087 -0.0733569 0.0000000 -0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 11 Na 1.0879087 0.0733569 0.0000000 0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 12 Na 1.0879087 0.0733569 0.0000000 0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 13 H -0.1278162 0.2781619 -0.3080475 0.2781619 -0.1278162 0.3080475 -0.3527914 0.3527914 -0.1531268 14 H -0.1278162 0.2781619 0.3080475 0.2781619 -0.1278162 -0.3080475 0.3527914 -0.3527914 -0.1531268 15 H -0.1278162 -0.2781619 0.3080475 -0.2781619 -0.1278162 0.3080475 0.3527914 0.3527914 -0.1531268 16 H -0.1278162 -0.2781619 -0.3080475 -0.2781619 -0.1278162 -0.3080475 -0.3527914 -0.3527914 -0.1531268 17 H -0.1278162 0.2781619 -0.3080475 0.2781619 -0.1278162 0.3080475 -0.3527914 0.3527914 -0.1531268 18 H -0.1278162 0.2781619 0.3080475 0.2781619 -0.1278162 -0.3080475 0.3527914 -0.3527914 -0.1531268 19 H -0.1278162 -0.2781619 0.3080475 -0.2781619 -0.1278162 0.3080475 0.3527914 0.3527914 -0.1531268 20 H -0.1278162 -0.2781619 -0.3080475 -0.2781619 -0.1278162 -0.3080475 -0.3527914 -0.3527914 -0.1531268 21 H 0.1804435 0.0252063 -0.2027771 0.0252063 0.1804435 0.2027771 -0.2518046 0.2518046 -0.6403712 22 H 0.1804435 0.0252063 0.2027771 0.0252063 0.1804435 -0.2027771 0.2518046 -0.2518046 -0.6403712 23 H 0.1804435 -0.0252063 0.2027771 -0.0252063 0.1804435 0.2027771 0.2518046 0.2518046 -0.6403712 24 H 0.1804435 -0.0252063 -0.2027771 -0.0252063 0.1804435 -0.2027771 -0.2518046 -0.2518046 -0.6403712 25 H 0.1804435 0.0252063 -0.2027771 0.0252063 0.1804435 0.2027771 -0.2518046 0.2518046 -0.6403712 26 H 0.1804435 0.0252063 0.2027771 0.0252063 0.1804435 -0.2027771 0.2518046 -0.2518046 -0.6403712 27 H 0.1804435 -0.0252063 0.2027771 -0.0252063 0.1804435 0.2027771 0.2518046 0.2518046 -0.6403712 28 H 0.1804435 -0.0252063 -0.2027771 -0.0252063 0.1804435 -0.2027771 -0.2518046 -0.2518046 -0.6403712 29 H -0.5080797 -0.6465541 0.0000000 -0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 30 H -0.5080797 -0.6465541 0.0000000 -0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 31 H -0.5080797 0.6465541 0.0000000 0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 32 H -0.5080797 0.6465541 0.0000000 0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 33 H -0.6763459 -0.6556074 0.0000000 -0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 34 H -0.6763459 -0.6556074 0.0000000 -0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 35 H -0.6763459 0.6556074 0.0000000 0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 36 H -0.6763459 0.6556074 0.0000000 0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 37 H -0.2510669 0.4350581 0.0000000 0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 38 H -0.2510669 0.4350581 0.0000000 0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 39 H -0.2510669 -0.4350581 0.0000000 -0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 40 H -0.2510669 -0.4350581 0.0000000 -0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 41 Ru -1.7637298 0.2209938 0.0000000 0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 42 Ru -1.7637298 0.2209938 0.0000000 0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 43 Ru -1.7637298 -0.2209938 0.0000000 -0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 44 Ru -1.7637298 -0.2209938 0.0000000 -0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1223 Number of blocks in projector: 1223 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 313 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1223, 1194), data: False |-- (200, 193), data: True |-- (313, 304), data: True |-- (324, 315), data: True |-- (386, 382), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.139 Solver_block: 200 / 400 - Time: 1.118 Solver_block: 300 / 400 - Time: 1.118 Solver_block: 400 / 400 - Time: 1.118 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.517 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1223 Number of blocks in projector: 1223 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 313 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1223, 1194), data: False |-- (200, 193), data: True |-- (313, 304), data: True |-- (324, 315), data: True |-- (386, 382), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:00:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:00:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.379008610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.379008610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.144737240000000 Atomic positions (fractional): 1 Na 0.46768977367847 0.19689605390289 0.50000000000000 22.990 2 Na 0.53231022632153 0.80310394609711 0.50000000000000 22.990 3 Na 0.03231022632153 0.69689605390289 0.00000000000000 22.990 4 Na 0.96768977367847 0.30310394609711 0.00000000000000 22.990 5 Na 0.19689605390289 0.46768977367847 0.50000000000000 22.990 6 Na 0.80310394609711 0.53231022632153 0.50000000000000 22.990 7 Na 0.69689605390289 0.03231022632153 0.00000000000000 22.990 8 Na 0.30310394609711 0.96768977367847 0.00000000000000 22.990 9 Na 0.88422980869341 0.88422980869341 0.50000000000000 22.990 10 Na 0.11577019130659 0.11577019130659 0.50000000000000 22.990 11 Na 0.61577019130659 0.38422980869341 0.00000000000000 22.990 12 Na 0.38422980869341 0.61577019130659 0.00000000000000 22.990 13 H 0.89654605074306 0.10345394925694 0.70316003091579 1.008 14 H 0.10345394925694 0.89654605074306 0.70316003091579 1.008 15 H 0.60345394925694 0.60345394925694 0.20316003091579 1.008 16 H 0.39654605074306 0.39654605074306 0.20316003091579 1.008 17 H 0.10345394925694 0.89654605074306 0.29683996908421 1.008 18 H 0.89654605074306 0.10345394925694 0.29683996908421 1.008 19 H 0.39654605074306 0.39654605074306 0.79683996908421 1.008 20 H 0.60345394925694 0.60345394925694 0.79683996908421 1.008 21 H 0.75846754212751 0.24153245787249 0.20038778649142 1.008 22 H 0.24153245787249 0.75846754212751 0.20038778649142 1.008 23 H 0.74153245787249 0.74153245787249 0.70038778649142 1.008 24 H 0.25846754212751 0.25846754212751 0.70038778649142 1.008 25 H 0.24153245787249 0.75846754212751 0.79961221350858 1.008 26 H 0.75846754212751 0.24153245787249 0.79961221350858 1.008 27 H 0.25846754212751 0.25846754212751 0.29961221350857 1.008 28 H 0.74153245787249 0.74153245787249 0.29961221350857 1.008 29 H 0.67589758765179 0.06565973981645 0.50000000000000 1.008 30 H 0.32410241234821 0.93434026018355 0.50000000000000 1.008 31 H 0.82410241234821 0.56565973981645 0.00000000000000 1.008 32 H 0.17589758765179 0.43434026018355 0.00000000000000 1.008 33 H 0.06565973981645 0.67589758765179 0.50000000000000 1.008 34 H 0.93434026018355 0.32410241234821 0.50000000000000 1.008 35 H 0.56565973981645 0.82410241234821 0.00000000000000 1.008 36 H 0.43434026018355 0.17589758765179 0.00000000000000 1.008 37 H 0.67428093069339 0.32571906930661 0.50000000000000 1.008 38 H 0.32571906930661 0.67428093069339 0.50000000000000 1.008 39 H 0.82571906930661 0.82571906930661 0.00000000000000 1.008 40 H 0.17428093069339 0.17428093069339 0.00000000000000 1.008 41 Ru 0.79890066937265 0.20109933062735 0.50000000000000 101.070 42 Ru 0.20109933062735 0.79890066937265 0.50000000000000 101.070 43 Ru 0.70109933062735 0.70109933062735 0.00000000000000 101.070 44 Ru 0.29890066937265 0.29890066937265 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.379008610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.379008610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.289474480000001 Atomic positions (fractional): 1 Na 0.46768977367847 0.19689605390289 0.25000000000000 22.990 > 1 2 Na 0.46768977367847 0.19689605390289 0.75000000000000 22.990 > 1 3 Na 0.53231022632153 0.80310394609711 0.25000000000000 22.990 > 3 4 Na 0.53231022632153 0.80310394609711 0.75000000000000 22.990 > 3 5 Na 0.03231022632153 0.69689605390289 0.00000000000000 22.990 > 5 6 Na 0.03231022632153 0.69689605390289 0.50000000000000 22.990 > 5 7 Na 0.96768977367847 0.30310394609711 0.00000000000000 22.990 > 7 8 Na 0.96768977367847 0.30310394609711 0.50000000000000 22.990 > 7 9 Na 0.19689605390289 0.46768977367847 0.25000000000000 22.990 > 9 10 Na 0.19689605390289 0.46768977367847 0.75000000000000 22.990 > 9 11 Na 0.80310394609711 0.53231022632153 0.25000000000000 22.990 > 11 12 Na 0.80310394609711 0.53231022632153 0.75000000000000 22.990 > 11 13 Na 0.69689605390289 0.03231022632153 0.00000000000000 22.990 > 13 14 Na 0.69689605390289 0.03231022632153 0.50000000000000 22.990 > 13 15 Na 0.30310394609711 0.96768977367847 0.00000000000000 22.990 > 15 16 Na 0.30310394609711 0.96768977367847 0.50000000000000 22.990 > 15 17 Na 0.88422980869341 0.88422980869341 0.25000000000000 22.990 > 17 18 Na 0.88422980869341 0.88422980869341 0.75000000000000 22.990 > 17 19 Na 0.11577019130659 0.11577019130659 0.25000000000000 22.990 > 19 20 Na 0.11577019130659 0.11577019130659 0.75000000000000 22.990 > 19 21 Na 0.61577019130659 0.38422980869341 0.00000000000000 22.990 > 21 22 Na 0.61577019130659 0.38422980869341 0.50000000000000 22.990 > 21 23 Na 0.38422980869341 0.61577019130659 0.00000000000000 22.990 > 23 24 Na 0.38422980869341 0.61577019130659 0.50000000000000 22.990 > 23 25 H 0.89654605074306 0.10345394925694 0.35158001545790 1.008 > 25 26 H 0.89654605074306 0.10345394925694 0.85158001545790 1.008 > 25 27 H 0.10345394925694 0.89654605074306 0.35158001545790 1.008 > 27 28 H 0.10345394925694 0.89654605074306 0.85158001545790 1.008 > 27 29 H 0.60345394925694 0.60345394925694 0.10158001545790 1.008 > 29 30 H 0.60345394925694 0.60345394925694 0.60158001545790 1.008 > 29 31 H 0.39654605074306 0.39654605074306 0.10158001545790 1.008 > 31 32 H 0.39654605074306 0.39654605074306 0.60158001545790 1.008 > 31 33 H 0.10345394925694 0.89654605074306 0.14841998454210 1.008 > 33 34 H 0.10345394925694 0.89654605074306 0.64841998454210 1.008 > 33 35 H 0.89654605074306 0.10345394925694 0.14841998454210 1.008 > 35 36 H 0.89654605074306 0.10345394925694 0.64841998454210 1.008 > 35 37 H 0.39654605074306 0.39654605074306 0.39841998454210 1.008 > 37 38 H 0.39654605074306 0.39654605074306 0.89841998454210 1.008 > 37 39 H 0.60345394925694 0.60345394925694 0.39841998454210 1.008 > 39 40 H 0.60345394925694 0.60345394925694 0.89841998454210 1.008 > 39 41 H 0.75846754212751 0.24153245787249 0.10019389324571 1.008 > 41 42 H 0.75846754212751 0.24153245787249 0.60019389324571 1.008 > 41 43 H 0.24153245787249 0.75846754212751 0.10019389324571 1.008 > 43 44 H 0.24153245787249 0.75846754212751 0.60019389324571 1.008 > 43 45 H 0.74153245787249 0.74153245787249 0.35019389324571 1.008 > 45 46 H 0.74153245787249 0.74153245787249 0.85019389324571 1.008 > 45 47 H 0.25846754212751 0.25846754212751 0.35019389324571 1.008 > 47 48 H 0.25846754212751 0.25846754212751 0.85019389324571 1.008 > 47 49 H 0.24153245787249 0.75846754212751 0.39980610675429 1.008 > 49 50 H 0.24153245787249 0.75846754212751 0.89980610675429 1.008 > 49 51 H 0.75846754212751 0.24153245787249 0.39980610675429 1.008 > 51 52 H 0.75846754212751 0.24153245787249 0.89980610675429 1.008 > 51 53 H 0.25846754212751 0.25846754212751 0.14980610675429 1.008 > 53 54 H 0.25846754212751 0.25846754212751 0.64980610675429 1.008 > 53 55 H 0.74153245787249 0.74153245787249 0.14980610675429 1.008 > 55 56 H 0.74153245787249 0.74153245787249 0.64980610675429 1.008 > 55 57 H 0.67589758765179 0.06565973981645 0.25000000000000 1.008 > 57 58 H 0.67589758765179 0.06565973981645 0.75000000000000 1.008 > 57 59 H 0.32410241234821 0.93434026018355 0.25000000000000 1.008 > 59 60 H 0.32410241234821 0.93434026018355 0.75000000000000 1.008 > 59 61 H 0.82410241234821 0.56565973981645 0.00000000000000 1.008 > 61 62 H 0.82410241234821 0.56565973981645 0.50000000000000 1.008 > 61 63 H 0.17589758765179 0.43434026018355 0.00000000000000 1.008 > 63 64 H 0.17589758765179 0.43434026018355 0.50000000000000 1.008 > 63 65 H 0.06565973981645 0.67589758765179 0.25000000000000 1.008 > 65 66 H 0.06565973981645 0.67589758765179 0.75000000000000 1.008 > 65 67 H 0.93434026018355 0.32410241234821 0.25000000000000 1.008 > 67 68 H 0.93434026018355 0.32410241234821 0.75000000000000 1.008 > 67 69 H 0.56565973981645 0.82410241234821 0.00000000000000 1.008 > 69 70 H 0.56565973981645 0.82410241234821 0.50000000000000 1.008 > 69 71 H 0.43434026018355 0.17589758765179 0.00000000000000 1.008 > 71 72 H 0.43434026018355 0.17589758765179 0.50000000000000 1.008 > 71 73 H 0.67428093069339 0.32571906930661 0.25000000000000 1.008 > 73 74 H 0.67428093069339 0.32571906930661 0.75000000000000 1.008 > 73 75 H 0.32571906930661 0.67428093069339 0.25000000000000 1.008 > 75 76 H 0.32571906930661 0.67428093069339 0.75000000000000 1.008 > 75 77 H 0.82571906930661 0.82571906930661 0.00000000000000 1.008 > 77 78 H 0.82571906930661 0.82571906930661 0.50000000000000 1.008 > 77 79 H 0.17428093069339 0.17428093069339 0.00000000000000 1.008 > 79 80 H 0.17428093069339 0.17428093069339 0.50000000000000 1.008 > 79 81 Ru 0.79890066937265 0.20109933062735 0.25000000000000 101.070 > 81 82 Ru 0.79890066937265 0.20109933062735 0.75000000000000 101.070 > 81 83 Ru 0.20109933062735 0.79890066937265 0.25000000000000 101.070 > 83 84 Ru 0.20109933062735 0.79890066937265 0.75000000000000 101.070 > 83 85 Ru 0.70109933062735 0.70109933062735 0.00000000000000 101.070 > 85 86 Ru 0.70109933062735 0.70109933062735 0.50000000000000 101.070 > 85 87 Ru 0.29890066937265 0.29890066937265 0.00000000000000 101.070 > 87 88 Ru 0.29890066937265 0.29890066937265 0.50000000000000 101.070 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5452036 0.0000000 0.0000000 0.0000000 3.5452036 0.0000000 0.0000000 0.0000000 3.6836277 -------------------------- Born effective charges -------------------------- 1 Na 1.1803533 0.0034696 0.0000000 0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 2 Na 1.1803533 0.0034696 0.0000000 0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 3 Na 1.1803533 -0.0034696 0.0000000 -0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 4 Na 1.1803533 -0.0034696 0.0000000 -0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 5 Na 0.8257058 0.0137383 0.0000000 0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 6 Na 0.8257058 0.0137383 0.0000000 0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 7 Na 0.8257058 -0.0137383 0.0000000 -0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 8 Na 0.8257058 -0.0137383 0.0000000 -0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 9 Na 1.0879087 -0.0733569 0.0000000 -0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 10 Na 1.0879087 -0.0733569 0.0000000 -0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 11 Na 1.0879087 0.0733569 0.0000000 0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 12 Na 1.0879087 0.0733569 0.0000000 0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 13 H -0.1278162 0.2781619 -0.3080475 0.2781619 -0.1278162 0.3080475 -0.3527914 0.3527914 -0.1531268 14 H -0.1278162 0.2781619 0.3080475 0.2781619 -0.1278162 -0.3080475 0.3527914 -0.3527914 -0.1531268 15 H -0.1278162 -0.2781619 0.3080475 -0.2781619 -0.1278162 0.3080475 0.3527914 0.3527914 -0.1531268 16 H -0.1278162 -0.2781619 -0.3080475 -0.2781619 -0.1278162 -0.3080475 -0.3527914 -0.3527914 -0.1531268 17 H -0.1278162 0.2781619 -0.3080475 0.2781619 -0.1278162 0.3080475 -0.3527914 0.3527914 -0.1531268 18 H -0.1278162 0.2781619 0.3080475 0.2781619 -0.1278162 -0.3080475 0.3527914 -0.3527914 -0.1531268 19 H -0.1278162 -0.2781619 0.3080475 -0.2781619 -0.1278162 0.3080475 0.3527914 0.3527914 -0.1531268 20 H -0.1278162 -0.2781619 -0.3080475 -0.2781619 -0.1278162 -0.3080475 -0.3527914 -0.3527914 -0.1531268 21 H 0.1804435 0.0252063 -0.2027771 0.0252063 0.1804435 0.2027771 -0.2518046 0.2518046 -0.6403712 22 H 0.1804435 0.0252063 0.2027771 0.0252063 0.1804435 -0.2027771 0.2518046 -0.2518046 -0.6403712 23 H 0.1804435 -0.0252063 0.2027771 -0.0252063 0.1804435 0.2027771 0.2518046 0.2518046 -0.6403712 24 H 0.1804435 -0.0252063 -0.2027771 -0.0252063 0.1804435 -0.2027771 -0.2518046 -0.2518046 -0.6403712 25 H 0.1804435 0.0252063 -0.2027771 0.0252063 0.1804435 0.2027771 -0.2518046 0.2518046 -0.6403712 26 H 0.1804435 0.0252063 0.2027771 0.0252063 0.1804435 -0.2027771 0.2518046 -0.2518046 -0.6403712 27 H 0.1804435 -0.0252063 0.2027771 -0.0252063 0.1804435 0.2027771 0.2518046 0.2518046 -0.6403712 28 H 0.1804435 -0.0252063 -0.2027771 -0.0252063 0.1804435 -0.2027771 -0.2518046 -0.2518046 -0.6403712 29 H -0.5080797 -0.6465541 0.0000000 -0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 30 H -0.5080797 -0.6465541 0.0000000 -0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 31 H -0.5080797 0.6465541 0.0000000 0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 32 H -0.5080797 0.6465541 0.0000000 0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 33 H -0.6763459 -0.6556074 0.0000000 -0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 34 H -0.6763459 -0.6556074 0.0000000 -0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 35 H -0.6763459 0.6556074 0.0000000 0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 36 H -0.6763459 0.6556074 0.0000000 0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 37 H -0.2510669 0.4350581 0.0000000 0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 38 H -0.2510669 0.4350581 0.0000000 0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 39 H -0.2510669 -0.4350581 0.0000000 -0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 40 H -0.2510669 -0.4350581 0.0000000 -0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 41 Ru -1.7637298 0.2209938 0.0000000 0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 42 Ru -1.7637298 0.2209938 0.0000000 0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 43 Ru -1.7637298 -0.2209938 0.0000000 -0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 44 Ru -1.7637298 -0.2209938 0.0000000 -0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:00:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:00:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.379008610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.379008610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.144737240000000 Atomic positions (fractional): 1 Na 0.46768977367847 0.19689605390289 0.50000000000000 22.990 2 Na 0.53231022632153 0.80310394609711 0.50000000000000 22.990 3 Na 0.03231022632153 0.69689605390289 0.00000000000000 22.990 4 Na 0.96768977367847 0.30310394609711 0.00000000000000 22.990 5 Na 0.19689605390289 0.46768977367847 0.50000000000000 22.990 6 Na 0.80310394609711 0.53231022632153 0.50000000000000 22.990 7 Na 0.69689605390289 0.03231022632153 0.00000000000000 22.990 8 Na 0.30310394609711 0.96768977367847 0.00000000000000 22.990 9 Na 0.88422980869341 0.88422980869341 0.50000000000000 22.990 10 Na 0.11577019130659 0.11577019130659 0.50000000000000 22.990 11 Na 0.61577019130659 0.38422980869341 0.00000000000000 22.990 12 Na 0.38422980869341 0.61577019130659 0.00000000000000 22.990 13 H 0.89654605074306 0.10345394925694 0.70316003091579 1.008 14 H 0.10345394925694 0.89654605074306 0.70316003091579 1.008 15 H 0.60345394925694 0.60345394925694 0.20316003091579 1.008 16 H 0.39654605074306 0.39654605074306 0.20316003091579 1.008 17 H 0.10345394925694 0.89654605074306 0.29683996908421 1.008 18 H 0.89654605074306 0.10345394925694 0.29683996908421 1.008 19 H 0.39654605074306 0.39654605074306 0.79683996908421 1.008 20 H 0.60345394925694 0.60345394925694 0.79683996908421 1.008 21 H 0.75846754212751 0.24153245787249 0.20038778649142 1.008 22 H 0.24153245787249 0.75846754212751 0.20038778649142 1.008 23 H 0.74153245787249 0.74153245787249 0.70038778649142 1.008 24 H 0.25846754212751 0.25846754212751 0.70038778649142 1.008 25 H 0.24153245787249 0.75846754212751 0.79961221350858 1.008 26 H 0.75846754212751 0.24153245787249 0.79961221350858 1.008 27 H 0.25846754212751 0.25846754212751 0.29961221350857 1.008 28 H 0.74153245787249 0.74153245787249 0.29961221350857 1.008 29 H 0.67589758765179 0.06565973981645 0.50000000000000 1.008 30 H 0.32410241234821 0.93434026018355 0.50000000000000 1.008 31 H 0.82410241234821 0.56565973981645 0.00000000000000 1.008 32 H 0.17589758765179 0.43434026018355 0.00000000000000 1.008 33 H 0.06565973981645 0.67589758765179 0.50000000000000 1.008 34 H 0.93434026018355 0.32410241234821 0.50000000000000 1.008 35 H 0.56565973981645 0.82410241234821 0.00000000000000 1.008 36 H 0.43434026018355 0.17589758765179 0.00000000000000 1.008 37 H 0.67428093069339 0.32571906930661 0.50000000000000 1.008 38 H 0.32571906930661 0.67428093069339 0.50000000000000 1.008 39 H 0.82571906930661 0.82571906930661 0.00000000000000 1.008 40 H 0.17428093069339 0.17428093069339 0.00000000000000 1.008 41 Ru 0.79890066937265 0.20109933062735 0.50000000000000 101.070 42 Ru 0.20109933062735 0.79890066937265 0.50000000000000 101.070 43 Ru 0.70109933062735 0.70109933062735 0.00000000000000 101.070 44 Ru 0.29890066937265 0.29890066937265 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.379008610000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.379008610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.289474480000001 Atomic positions (fractional): 1 Na 0.46768977367847 0.19689605390289 0.25000000000000 22.990 > 1 2 Na 0.46768977367847 0.19689605390289 0.75000000000000 22.990 > 1 3 Na 0.53231022632153 0.80310394609711 0.25000000000000 22.990 > 3 4 Na 0.53231022632153 0.80310394609711 0.75000000000000 22.990 > 3 5 Na 0.03231022632153 0.69689605390289 0.00000000000000 22.990 > 5 6 Na 0.03231022632153 0.69689605390289 0.50000000000000 22.990 > 5 7 Na 0.96768977367847 0.30310394609711 0.00000000000000 22.990 > 7 8 Na 0.96768977367847 0.30310394609711 0.50000000000000 22.990 > 7 9 Na 0.19689605390289 0.46768977367847 0.25000000000000 22.990 > 9 10 Na 0.19689605390289 0.46768977367847 0.75000000000000 22.990 > 9 11 Na 0.80310394609711 0.53231022632153 0.25000000000000 22.990 > 11 12 Na 0.80310394609711 0.53231022632153 0.75000000000000 22.990 > 11 13 Na 0.69689605390289 0.03231022632153 0.00000000000000 22.990 > 13 14 Na 0.69689605390289 0.03231022632153 0.50000000000000 22.990 > 13 15 Na 0.30310394609711 0.96768977367847 0.00000000000000 22.990 > 15 16 Na 0.30310394609711 0.96768977367847 0.50000000000000 22.990 > 15 17 Na 0.88422980869341 0.88422980869341 0.25000000000000 22.990 > 17 18 Na 0.88422980869341 0.88422980869341 0.75000000000000 22.990 > 17 19 Na 0.11577019130659 0.11577019130659 0.25000000000000 22.990 > 19 20 Na 0.11577019130659 0.11577019130659 0.75000000000000 22.990 > 19 21 Na 0.61577019130659 0.38422980869341 0.00000000000000 22.990 > 21 22 Na 0.61577019130659 0.38422980869341 0.50000000000000 22.990 > 21 23 Na 0.38422980869341 0.61577019130659 0.00000000000000 22.990 > 23 24 Na 0.38422980869341 0.61577019130659 0.50000000000000 22.990 > 23 25 H 0.89654605074306 0.10345394925694 0.35158001545790 1.008 > 25 26 H 0.89654605074306 0.10345394925694 0.85158001545790 1.008 > 25 27 H 0.10345394925694 0.89654605074306 0.35158001545790 1.008 > 27 28 H 0.10345394925694 0.89654605074306 0.85158001545790 1.008 > 27 29 H 0.60345394925694 0.60345394925694 0.10158001545790 1.008 > 29 30 H 0.60345394925694 0.60345394925694 0.60158001545790 1.008 > 29 31 H 0.39654605074306 0.39654605074306 0.10158001545790 1.008 > 31 32 H 0.39654605074306 0.39654605074306 0.60158001545790 1.008 > 31 33 H 0.10345394925694 0.89654605074306 0.14841998454210 1.008 > 33 34 H 0.10345394925694 0.89654605074306 0.64841998454210 1.008 > 33 35 H 0.89654605074306 0.10345394925694 0.14841998454210 1.008 > 35 36 H 0.89654605074306 0.10345394925694 0.64841998454210 1.008 > 35 37 H 0.39654605074306 0.39654605074306 0.39841998454210 1.008 > 37 38 H 0.39654605074306 0.39654605074306 0.89841998454210 1.008 > 37 39 H 0.60345394925694 0.60345394925694 0.39841998454210 1.008 > 39 40 H 0.60345394925694 0.60345394925694 0.89841998454210 1.008 > 39 41 H 0.75846754212751 0.24153245787249 0.10019389324571 1.008 > 41 42 H 0.75846754212751 0.24153245787249 0.60019389324571 1.008 > 41 43 H 0.24153245787249 0.75846754212751 0.10019389324571 1.008 > 43 44 H 0.24153245787249 0.75846754212751 0.60019389324571 1.008 > 43 45 H 0.74153245787249 0.74153245787249 0.35019389324571 1.008 > 45 46 H 0.74153245787249 0.74153245787249 0.85019389324571 1.008 > 45 47 H 0.25846754212751 0.25846754212751 0.35019389324571 1.008 > 47 48 H 0.25846754212751 0.25846754212751 0.85019389324571 1.008 > 47 49 H 0.24153245787249 0.75846754212751 0.39980610675429 1.008 > 49 50 H 0.24153245787249 0.75846754212751 0.89980610675429 1.008 > 49 51 H 0.75846754212751 0.24153245787249 0.39980610675429 1.008 > 51 52 H 0.75846754212751 0.24153245787249 0.89980610675429 1.008 > 51 53 H 0.25846754212751 0.25846754212751 0.14980610675429 1.008 > 53 54 H 0.25846754212751 0.25846754212751 0.64980610675429 1.008 > 53 55 H 0.74153245787249 0.74153245787249 0.14980610675429 1.008 > 55 56 H 0.74153245787249 0.74153245787249 0.64980610675429 1.008 > 55 57 H 0.67589758765179 0.06565973981645 0.25000000000000 1.008 > 57 58 H 0.67589758765179 0.06565973981645 0.75000000000000 1.008 > 57 59 H 0.32410241234821 0.93434026018355 0.25000000000000 1.008 > 59 60 H 0.32410241234821 0.93434026018355 0.75000000000000 1.008 > 59 61 H 0.82410241234821 0.56565973981645 0.00000000000000 1.008 > 61 62 H 0.82410241234821 0.56565973981645 0.50000000000000 1.008 > 61 63 H 0.17589758765179 0.43434026018355 0.00000000000000 1.008 > 63 64 H 0.17589758765179 0.43434026018355 0.50000000000000 1.008 > 63 65 H 0.06565973981645 0.67589758765179 0.25000000000000 1.008 > 65 66 H 0.06565973981645 0.67589758765179 0.75000000000000 1.008 > 65 67 H 0.93434026018355 0.32410241234821 0.25000000000000 1.008 > 67 68 H 0.93434026018355 0.32410241234821 0.75000000000000 1.008 > 67 69 H 0.56565973981645 0.82410241234821 0.00000000000000 1.008 > 69 70 H 0.56565973981645 0.82410241234821 0.50000000000000 1.008 > 69 71 H 0.43434026018355 0.17589758765179 0.00000000000000 1.008 > 71 72 H 0.43434026018355 0.17589758765179 0.50000000000000 1.008 > 71 73 H 0.67428093069339 0.32571906930661 0.25000000000000 1.008 > 73 74 H 0.67428093069339 0.32571906930661 0.75000000000000 1.008 > 73 75 H 0.32571906930661 0.67428093069339 0.25000000000000 1.008 > 75 76 H 0.32571906930661 0.67428093069339 0.75000000000000 1.008 > 75 77 H 0.82571906930661 0.82571906930661 0.00000000000000 1.008 > 77 78 H 0.82571906930661 0.82571906930661 0.50000000000000 1.008 > 77 79 H 0.17428093069339 0.17428093069339 0.00000000000000 1.008 > 79 80 H 0.17428093069339 0.17428093069339 0.50000000000000 1.008 > 79 81 Ru 0.79890066937265 0.20109933062735 0.25000000000000 101.070 > 81 82 Ru 0.79890066937265 0.20109933062735 0.75000000000000 101.070 > 81 83 Ru 0.20109933062735 0.79890066937265 0.25000000000000 101.070 > 83 84 Ru 0.20109933062735 0.79890066937265 0.75000000000000 101.070 > 83 85 Ru 0.70109933062735 0.70109933062735 0.00000000000000 101.070 > 85 86 Ru 0.70109933062735 0.70109933062735 0.50000000000000 101.070 > 85 87 Ru 0.29890066937265 0.29890066937265 0.00000000000000 101.070 > 87 88 Ru 0.29890066937265 0.29890066937265 0.50000000000000 101.070 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5452036 0.0000000 0.0000000 0.0000000 3.5452036 0.0000000 0.0000000 0.0000000 3.6836277 -------------------------- Born effective charges -------------------------- 1 Na 1.1803533 0.0034696 0.0000000 0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 2 Na 1.1803533 0.0034696 0.0000000 0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 3 Na 1.1803533 -0.0034696 0.0000000 -0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 4 Na 1.1803533 -0.0034696 0.0000000 -0.0137383 0.8257058 0.0000000 0.0000000 0.0000000 1.1226872 5 Na 0.8257058 0.0137383 0.0000000 0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 6 Na 0.8257058 0.0137383 0.0000000 0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 7 Na 0.8257058 -0.0137383 0.0000000 -0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 8 Na 0.8257058 -0.0137383 0.0000000 -0.0034696 1.1803533 0.0000000 0.0000000 0.0000000 1.1226872 9 Na 1.0879087 -0.0733569 0.0000000 -0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 10 Na 1.0879087 -0.0733569 0.0000000 -0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 11 Na 1.0879087 0.0733569 0.0000000 0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 12 Na 1.0879087 0.0733569 0.0000000 0.0733569 1.0879087 0.0000000 0.0000000 0.0000000 0.9028071 13 H -0.1278162 0.2781619 -0.3080475 0.2781619 -0.1278162 0.3080475 -0.3527914 0.3527914 -0.1531268 14 H -0.1278162 0.2781619 0.3080475 0.2781619 -0.1278162 -0.3080475 0.3527914 -0.3527914 -0.1531268 15 H -0.1278162 -0.2781619 0.3080475 -0.2781619 -0.1278162 0.3080475 0.3527914 0.3527914 -0.1531268 16 H -0.1278162 -0.2781619 -0.3080475 -0.2781619 -0.1278162 -0.3080475 -0.3527914 -0.3527914 -0.1531268 17 H -0.1278162 0.2781619 -0.3080475 0.2781619 -0.1278162 0.3080475 -0.3527914 0.3527914 -0.1531268 18 H -0.1278162 0.2781619 0.3080475 0.2781619 -0.1278162 -0.3080475 0.3527914 -0.3527914 -0.1531268 19 H -0.1278162 -0.2781619 0.3080475 -0.2781619 -0.1278162 0.3080475 0.3527914 0.3527914 -0.1531268 20 H -0.1278162 -0.2781619 -0.3080475 -0.2781619 -0.1278162 -0.3080475 -0.3527914 -0.3527914 -0.1531268 21 H 0.1804435 0.0252063 -0.2027771 0.0252063 0.1804435 0.2027771 -0.2518046 0.2518046 -0.6403712 22 H 0.1804435 0.0252063 0.2027771 0.0252063 0.1804435 -0.2027771 0.2518046 -0.2518046 -0.6403712 23 H 0.1804435 -0.0252063 0.2027771 -0.0252063 0.1804435 0.2027771 0.2518046 0.2518046 -0.6403712 24 H 0.1804435 -0.0252063 -0.2027771 -0.0252063 0.1804435 -0.2027771 -0.2518046 -0.2518046 -0.6403712 25 H 0.1804435 0.0252063 -0.2027771 0.0252063 0.1804435 0.2027771 -0.2518046 0.2518046 -0.6403712 26 H 0.1804435 0.0252063 0.2027771 0.0252063 0.1804435 -0.2027771 0.2518046 -0.2518046 -0.6403712 27 H 0.1804435 -0.0252063 0.2027771 -0.0252063 0.1804435 0.2027771 0.2518046 0.2518046 -0.6403712 28 H 0.1804435 -0.0252063 -0.2027771 -0.0252063 0.1804435 -0.2027771 -0.2518046 -0.2518046 -0.6403712 29 H -0.5080797 -0.6465541 0.0000000 -0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 30 H -0.5080797 -0.6465541 0.0000000 -0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 31 H -0.5080797 0.6465541 0.0000000 0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 32 H -0.5080797 0.6465541 0.0000000 0.6556074 -0.6763459 0.0000000 0.0000000 0.0000000 0.0941158 33 H -0.6763459 -0.6556074 0.0000000 -0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 34 H -0.6763459 -0.6556074 0.0000000 -0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 35 H -0.6763459 0.6556074 0.0000000 0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 36 H -0.6763459 0.6556074 0.0000000 0.6465541 -0.5080797 0.0000000 0.0000000 0.0000000 0.0941158 37 H -0.2510669 0.4350581 0.0000000 0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 38 H -0.2510669 0.4350581 0.0000000 0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 39 H -0.2510669 -0.4350581 0.0000000 -0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 40 H -0.2510669 -0.4350581 0.0000000 -0.4350581 -0.2510669 0.0000000 0.0000000 0.0000000 0.3357895 41 Ru -1.7637298 0.2209938 0.0000000 0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 42 Ru -1.7637298 0.2209938 0.0000000 0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 43 Ru -1.7637298 -0.2209938 0.0000000 -0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 44 Ru -1.7637298 -0.2209938 0.0000000 -0.2209938 -1.7637298 0.0000000 0.0000000 0.0000000 -2.0852065 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 10 ] 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: 0.54, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 36 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 0.978 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 15.008 ( 0.000 0.000 0.000) 0.000 15.218 ( 0.000 0.000 0.000) 0.000 15.218 ( 0.000 0.000 0.000) 0.000 15.251 ( 0.000 0.000 0.000) 0.000 18.711 ( 0.000 0.000 0.000) 0.000 18.830 ( 0.000 0.000 0.000) 0.000 18.830 ( 0.000 0.000 0.000) 0.000 18.844 ( 0.000 0.000 0.000) 0.000 18.852 ( 0.000 0.000 0.000) 0.000 18.861 ( 0.000 0.000 0.000) 0.000 18.861 ( 0.000 0.000 0.000) 0.000 18.877 ( 0.000 0.000 0.000) 0.000 19.491 ( 0.000 0.000 0.000) 0.000 19.491 ( 0.000 0.000 0.000) 0.000 19.502 ( 0.000 0.000 0.000) 0.000 19.554 ( 0.000 0.000 0.000) 0.000 20.315 ( 0.000 0.000 0.000) 0.000 20.315 ( 0.000 0.000 0.000) 0.000 20.514 ( 0.000 0.000 0.000) 0.000 20.572 ( 0.000 0.000 0.000) 0.000 22.136 ( 0.000 0.000 0.000) 0.000 22.263 ( 0.000 0.000 0.000) 0.000 22.263 ( 0.000 0.000 0.000) 0.000 22.585 ( 0.000 0.000 0.000) 0.000 22.651 ( 0.000 0.000 0.000) 0.000 22.651 ( 0.000 0.000 0.000) 0.000 22.651 ( 0.000 0.000 0.000) 0.000 22.651 ( 0.000 0.000 0.000) 0.000 23.429 ( 0.000 0.000 0.000) 0.000 23.432 ( 0.000 0.000 0.000) 0.000 23.432 ( 0.000 0.000 0.000) 0.000 23.924 ( 0.000 0.000 0.000) 0.000 24.823 ( 0.000 0.000 0.000) 0.000 24.823 ( 0.000 0.000 0.000) 0.000 24.823 ( 0.000 0.000 0.000) 0.000 24.863 ( 0.000 0.000 0.000) 0.000 25.282 ( 0.000 0.000 0.000) 0.000 25.409 ( 0.000 0.000 0.000) 0.000 25.409 ( 0.000 0.000 0.000) 0.000 25.690 ( 0.000 0.000 0.000) 0.000 27.521 ( 0.000 0.000 0.000) 0.000 27.521 ( 0.000 0.000 0.000) 0.000 27.579 ( 0.000 0.000 0.000) 0.000 27.595 ( 0.000 0.000 0.000) 0.000 28.452 ( 0.000 0.000 0.000) 0.000 28.452 ( 0.000 0.000 0.000) 0.000 28.523 ( 0.000 0.000 0.000) 0.000 28.605 ( 0.000 0.000 0.000) 0.000 43.053 ( 0.000 0.000 0.000) 0.000 43.053 ( 0.000 0.000 0.000) 0.000 43.138 ( 0.000 0.000 0.000) 0.000 45.568 ( 0.000 0.000 0.000) 0.000 52.111 ( 0.000 0.000 0.000) 0.000 52.111 ( 0.000 0.000 0.000) 0.000 52.255 ( 0.000 0.000 0.000) 0.000 52.341 ( 0.000 0.000 0.000) 0.000 53.760 ( 0.000 0.000 0.000) 0.000 53.760 ( 0.000 0.000 0.000) 0.000 54.212 ( 0.000 0.000 0.000) 0.000 54.212 ( 0.000 0.000 0.000) 0.000 54.268 ( 0.000 0.000 0.000) 0.000 54.370 ( 0.000 0.000 0.000) 0.000 54.506 ( 0.000 0.000 0.000) 0.000 55.390 ( 0.000 0.000 0.000) 0.000 57.078 ( 0.000 0.000 0.000) 0.000 57.140 ( 0.000 0.000 0.000) 0.000 57.140 ( 0.000 0.000 0.000) 0.000 57.322 ( 0.000 0.000 0.000) 0.000 59.482 ( 0.000 0.000 0.000) 0.000 59.482 ( 0.000 0.000 0.000) 0.000 59.485 ( 0.000 0.000 0.000) 0.000 59.519 ( 0.000 0.000 0.000) 0.000 62.171 ( 0.000 0.000 0.000) 0.000 62.191 ( 0.000 0.000 0.000) 0.000 62.191 ( 0.000 0.000 0.000) 0.000 62.227 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 23.964 0.000 0.000) 23.964 0.554 ( 25.537 0.000 0.000) 25.537 1.055 ( 43.554 0.000 0.000) 43.554 1.248 ( 21.495 0.000 0.000) 21.495 1.834 ( -8.758 0.000 0.000) 8.758 1.950 ( 2.720 0.000 0.000) 2.720 2.178 ( -6.159 0.000 0.000) 6.159 2.493 ( -6.505 0.000 0.000) 6.505 2.591 ( -2.747 0.000 0.000) 2.747 2.638 ( -0.558 0.000 0.000) 0.558 2.657 ( -8.526 0.000 0.000) 8.526 2.822 ( -5.829 0.000 0.000) 5.829 3.066 ( 1.721 0.000 0.000) 1.721 3.188 ( 10.162 0.000 0.000) 10.162 3.245 ( 8.492 0.000 0.000) 8.492 3.332 ( 7.010 0.000 0.000) 7.010 3.448 ( -10.722 0.000 0.000) 10.722 3.688 ( -5.477 0.000 0.000) 5.477 3.767 ( -4.010 0.000 0.000) 4.010 3.768 ( 1.789 0.000 0.000) 1.789 3.861 ( 7.116 0.000 0.000) 7.116 3.944 ( -7.887 0.000 0.000) 7.887 4.049 ( 1.124 0.000 0.000) 1.124 4.207 ( -3.562 0.000 0.000) 3.562 4.271 ( -3.674 0.000 0.000) 3.674 4.297 ( -3.271 0.000 0.000) 3.271 4.389 ( 1.764 0.000 0.000) 1.764 4.511 ( -1.051 0.000 0.000) 1.051 4.654 ( 9.450 0.000 0.000) 9.450 4.788 ( -4.946 0.000 0.000) 4.946 4.809 ( 1.216 0.000 0.000) 1.216 4.893 ( 1.751 0.000 0.000) 1.751 4.918 ( 4.754 0.000 0.000) 4.754 5.046 ( -7.026 0.000 0.000) 7.026 5.052 ( 4.941 0.000 0.000) 4.941 5.196 ( -4.492 0.000 0.000) 4.492 5.607 ( -2.717 0.000 0.000) 2.717 5.710 ( -11.854 0.000 0.000) 11.854 5.718 ( -5.070 0.000 0.000) 5.070 5.888 ( 1.105 0.000 0.000) 1.105 5.901 ( -4.123 0.000 0.000) 4.123 5.984 ( -1.760 0.000 0.000) 1.760 6.060 ( 6.804 0.000 0.000) 6.804 6.572 ( -6.154 0.000 0.000) 6.154 7.021 ( 13.579 0.000 0.000) 13.579 7.039 ( 10.236 0.000 0.000) 10.236 7.743 ( -3.129 0.000 0.000) 3.129 7.797 ( -3.476 0.000 0.000) 3.476 10.368 ( 2.050 0.000 0.000) 2.050 10.563 ( -2.124 0.000 0.000) 2.124 10.612 ( 2.274 0.000 0.000) 2.274 10.821 ( -2.223 0.000 0.000) 2.223 11.681 ( 0.373 0.000 0.000) 0.373 11.728 ( -0.549 0.000 0.000) 0.549 11.755 ( 1.783 0.000 0.000) 1.783 11.904 ( -1.498 0.000 0.000) 1.498 15.028 ( 1.752 0.000 0.000) 1.752 15.190 ( -2.137 0.000 0.000) 2.137 15.232 ( 0.519 0.000 0.000) 0.519 15.260 ( 0.340 0.000 0.000) 0.340 18.721 ( 0.855 0.000 0.000) 0.855 18.811 ( -1.336 0.000 0.000) 1.336 18.834 ( 0.338 0.000 0.000) 0.338 18.849 ( -0.205 0.000 0.000) 0.205 18.851 ( 0.228 0.000 0.000) 0.228 18.853 ( -0.487 0.000 0.000) 0.487 18.885 ( 0.521 0.000 0.000) 0.521 18.912 ( -0.247 0.000 0.000) 0.247 19.491 ( -0.061 0.000 0.000) 0.061 19.492 ( -0.026 0.000 0.000) 0.026 19.505 ( 0.383 0.000 0.000) 0.383 19.549 ( -0.477 0.000 0.000) 0.477 20.316 ( 0.151 0.000 0.000) 0.151 20.317 ( 0.162 0.000 0.000) 0.162 20.518 ( 0.388 0.000 0.000) 0.388 20.565 ( -0.599 0.000 0.000) 0.599 22.143 ( 0.763 0.000 0.000) 0.763 22.248 ( -1.335 0.000 0.000) 1.335 22.484 ( 2.358 0.000 0.000) 2.358 22.590 ( 0.420 0.000 0.000) 0.420 22.637 ( -0.770 0.000 0.000) 0.770 22.639 ( -1.146 0.000 0.000) 1.146 22.653 ( 0.164 0.000 0.000) 0.164 22.659 ( 0.213 0.000 0.000) 0.213 23.425 ( -0.217 0.000 0.000) 0.217 23.430 ( -0.176 0.000 0.000) 0.176 23.575 ( 3.262 0.000 0.000) 3.262 23.886 ( -3.470 0.000 0.000) 3.470 24.822 ( -0.080 0.000 0.000) 0.080 24.823 ( -0.056 0.000 0.000) 0.056 24.853 ( 0.275 0.000 0.000) 0.275 24.864 ( 0.065 0.000 0.000) 0.065 25.296 ( 1.209 0.000 0.000) 1.209 25.399 ( -0.983 0.000 0.000) 0.983 25.675 ( -0.160 0.000 0.000) 0.160 25.685 ( -0.436 0.000 0.000) 0.436 27.520 ( -0.060 0.000 0.000) 0.060 27.520 ( -0.054 0.000 0.000) 0.054 27.581 ( 0.199 0.000 0.000) 0.199 27.594 ( -0.085 0.000 0.000) 0.085 28.451 ( -0.066 0.000 0.000) 0.066 28.451 ( -0.026 0.000 0.000) 0.026 28.532 ( 0.796 0.000 0.000) 0.796 28.598 ( -0.665 0.000 0.000) 0.665 43.065 ( 1.067 0.000 0.000) 1.067 43.133 ( -0.482 0.000 0.000) 0.482 44.843 ( 3.172 0.000 0.000) 3.172 45.446 ( -10.512 0.000 0.000) 10.512 52.117 ( 0.698 0.000 0.000) 0.698 52.175 ( 5.247 0.000 0.000) 5.247 52.238 ( -1.479 0.000 0.000) 1.479 52.358 ( 1.161 0.000 0.000) 1.161 53.760 ( -0.055 0.000 0.000) 0.055 53.760 ( -0.048 0.000 0.000) 0.048 54.210 ( -0.141 0.000 0.000) 0.141 54.250 ( -1.401 0.000 0.000) 1.401 54.384 ( 1.228 0.000 0.000) 1.228 54.493 ( -1.120 0.000 0.000) 1.120 54.823 ( 5.592 0.000 0.000) 5.592 55.325 ( -5.806 0.000 0.000) 5.806 57.083 ( 0.475 0.000 0.000) 0.475 57.134 ( -0.598 0.000 0.000) 0.598 57.173 ( 2.810 0.000 0.000) 2.810 57.317 ( -0.591 0.000 0.000) 0.591 59.478 ( -0.124 0.000 0.000) 0.124 59.481 ( -0.079 0.000 0.000) 0.079 59.491 ( 0.416 0.000 0.000) 0.416 59.516 ( -0.213 0.000 0.000) 0.213 62.173 ( 0.188 0.000 0.000) 0.188 62.189 ( -0.145 0.000 0.000) 0.145 62.206 ( 0.217 0.000 0.000) 0.217 62.225 ( -0.176 0.000 0.000) 0.176 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 20.264 0.000 0.000) 20.264 1.078 ( 23.339 0.000 0.000) 23.339 1.328 ( -7.102 0.000 0.000) 7.102 1.532 ( -18.631 0.000 0.000) 18.631 2.015 ( 3.034 0.000 0.000) 3.034 2.053 ( 38.522 0.000 0.000) 38.522 2.079 ( -3.288 0.000 0.000) 3.288 2.521 ( -5.783 0.000 0.000) 5.783 2.558 ( 9.859 0.000 0.000) 9.859 2.562 ( 0.491 0.000 0.000) 0.491 2.601 ( -2.462 0.000 0.000) 2.462 2.753 ( 4.753 0.000 0.000) 4.753 2.854 ( -20.302 0.000 0.000) 20.302 3.110 ( -20.169 0.000 0.000) 20.169 3.379 ( 7.723 0.000 0.000) 7.723 3.448 ( 9.573 0.000 0.000) 9.573 3.516 ( 9.161 0.000 0.000) 9.161 3.535 ( -7.444 0.000 0.000) 7.444 3.645 ( -6.767 0.000 0.000) 6.767 3.744 ( -10.101 0.000 0.000) 10.101 3.896 ( 9.315 0.000 0.000) 9.315 4.009 ( 3.670 0.000 0.000) 3.670 4.084 ( 2.123 0.000 0.000) 2.123 4.138 ( -2.890 0.000 0.000) 2.890 4.190 ( -4.952 0.000 0.000) 4.952 4.206 ( -2.979 0.000 0.000) 2.979 4.434 ( 2.271 0.000 0.000) 2.271 4.479 ( -1.874 0.000 0.000) 1.874 4.724 ( -0.184 0.000 0.000) 0.184 4.794 ( -5.400 0.000 0.000) 5.400 4.866 ( 9.898 0.000 0.000) 9.898 4.901 ( 0.545 0.000 0.000) 0.545 4.920 ( 0.190 0.000 0.000) 0.190 5.060 ( -7.996 0.000 0.000) 7.996 5.075 ( 6.346 0.000 0.000) 6.346 5.143 ( 2.032 0.000 0.000) 2.032 5.474 ( -7.007 0.000 0.000) 7.007 5.491 ( -6.100 0.000 0.000) 6.100 5.694 ( 2.419 0.000 0.000) 2.419 5.788 ( -5.622 0.000 0.000) 5.622 5.920 ( 1.653 0.000 0.000) 1.653 5.953 ( -1.449 0.000 0.000) 1.449 6.237 ( 9.077 0.000 0.000) 9.077 6.423 ( -7.990 0.000 0.000) 7.990 7.250 ( 7.574 0.000 0.000) 7.574 7.265 ( 7.171 0.000 0.000) 7.171 7.669 ( -2.537 0.000 0.000) 2.537 7.701 ( -4.727 0.000 0.000) 4.727 10.428 ( 3.364 0.000 0.000) 3.364 10.502 ( -3.409 0.000 0.000) 3.409 10.677 ( 3.642 0.000 0.000) 3.642 10.757 ( -3.610 0.000 0.000) 3.610 11.694 ( 0.799 0.000 0.000) 0.799 11.713 ( -0.872 0.000 0.000) 0.872 11.804 ( 2.636 0.000 0.000) 2.636 11.860 ( -2.495 0.000 0.000) 2.495 15.077 ( 2.706 0.000 0.000) 2.706 15.137 ( -2.747 0.000 0.000) 2.747 15.246 ( 0.732 0.000 0.000) 0.732 15.259 ( -0.398 0.000 0.000) 0.398 18.746 ( 1.445 0.000 0.000) 1.445 18.779 ( -1.612 0.000 0.000) 1.612 18.843 ( 0.448 0.000 0.000) 0.448 18.845 ( -0.144 0.000 0.000) 0.144 18.845 ( -0.189 0.000 0.000) 0.189 18.851 ( -0.229 0.000 0.000) 0.229 18.896 ( 0.463 0.000 0.000) 0.463 18.905 ( -0.388 0.000 0.000) 0.388 19.490 ( -0.018 0.000 0.000) 0.018 19.490 ( -0.073 0.000 0.000) 0.073 19.518 ( 0.751 0.000 0.000) 0.751 19.535 ( -0.772 0.000 0.000) 0.772 20.319 ( 0.104 0.000 0.000) 0.104 20.320 ( 0.090 0.000 0.000) 0.090 20.531 ( 0.752 0.000 0.000) 0.752 20.549 ( -0.884 0.000 0.000) 0.884 22.170 ( 1.679 0.000 0.000) 1.679 22.211 ( -1.996 0.000 0.000) 1.996 22.545 ( 2.996 0.000 0.000) 2.996 22.602 ( 0.730 0.000 0.000) 0.730 22.603 ( -2.284 0.000 0.000) 2.284 22.620 ( -0.852 0.000 0.000) 0.852 22.657 ( 0.202 0.000 0.000) 0.202 22.661 ( -0.062 0.000 0.000) 0.062 23.423 ( 0.034 0.000 0.000) 0.034 23.426 ( -0.205 0.000 0.000) 0.205 23.669 ( 5.264 0.000 0.000) 5.264 23.787 ( -5.469 0.000 0.000) 5.469 24.820 ( -0.016 0.000 0.000) 0.016 24.821 ( -0.071 0.000 0.000) 0.071 24.860 ( 0.307 0.000 0.000) 0.307 24.864 ( -0.095 0.000 0.000) 0.095 25.330 ( 1.854 0.000 0.000) 1.854 25.369 ( -1.714 0.000 0.000) 1.714 25.673 ( -0.025 0.000 0.000) 0.025 25.676 ( -0.338 0.000 0.000) 0.338 27.519 ( -0.030 0.000 0.000) 0.030 27.519 ( -0.038 0.000 0.000) 0.038 27.586 ( 0.254 0.000 0.000) 0.254 27.591 ( -0.186 0.000 0.000) 0.186 28.450 ( -0.007 0.000 0.000) 0.007 28.451 ( -0.036 0.000 0.000) 0.036 28.554 ( 1.170 0.000 0.000) 1.170 28.579 ( -1.102 0.000 0.000) 1.102 43.092 ( 1.347 0.000 0.000) 1.347 43.117 ( -0.949 0.000 0.000) 0.949 44.960 ( 8.030 0.000 0.000) 8.030 45.184 ( -12.468 0.000 0.000) 12.468 52.144 ( 1.892 0.000 0.000) 1.892 52.192 ( -2.320 0.000 0.000) 2.320 52.297 ( 4.951 0.000 0.000) 4.951 52.364 ( -1.172 0.000 0.000) 1.172 53.759 ( -0.028 0.000 0.000) 0.028 53.759 ( -0.035 0.000 0.000) 0.035 54.210 ( 0.178 0.000 0.000) 0.178 54.222 ( -0.992 0.000 0.000) 0.992 54.419 ( 1.924 0.000 0.000) 1.924 54.461 ( -1.858 0.000 0.000) 1.858 54.977 ( 8.443 0.000 0.000) 8.443 55.165 ( -8.663 0.000 0.000) 8.663 57.098 ( 0.855 0.000 0.000) 0.855 57.117 ( -0.906 0.000 0.000) 0.906 57.240 ( 3.058 0.000 0.000) 3.058 57.293 ( -1.769 0.000 0.000) 1.769 59.477 ( 0.019 0.000 0.000) 0.019 59.479 ( -0.095 0.000 0.000) 0.095 59.501 ( 0.453 0.000 0.000) 0.453 59.510 ( -0.377 0.000 0.000) 0.377 62.179 ( 0.286 0.000 0.000) 0.286 62.185 ( -0.260 0.000 0.000) 0.260 62.212 ( 0.333 0.000 0.000) 0.333 62.219 ( -0.307 0.000 0.000) 0.307 ======================= Grid point 6 (4/36) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 16.442 16.442 0.000) 23.253 0.919 ( 21.531 21.531 0.000) 30.449 1.413 ( 31.021 31.021 0.000) 43.871 1.477 ( 17.726 17.726 0.000) 25.069 1.780 ( -6.887 -6.887 0.000) 9.739 1.943 ( 0.624 0.624 0.000) 0.882 2.119 ( -4.076 -4.076 0.000) 5.764 2.372 ( -7.426 -7.426 0.000) 10.502 2.538 ( -7.090 -7.090 0.000) 10.027 2.603 ( -0.218 -0.218 0.000) 0.308 2.628 ( 0.037 0.037 0.000) 0.052 2.703 ( -8.081 -8.081 0.000) 11.429 3.178 ( 3.665 3.665 0.000) 5.184 3.275 ( 6.911 6.911 0.000) 9.774 3.309 ( 5.460 5.460 0.000) 7.722 3.374 ( -8.357 -8.357 0.000) 11.819 3.394 ( 5.631 5.631 0.000) 7.964 3.692 ( -0.889 -0.889 0.000) 1.257 3.725 ( -3.840 -3.840 0.000) 5.431 3.753 ( -0.234 -0.234 0.000) 0.331 3.904 ( 4.881 4.881 0.000) 6.903 3.936 ( -4.261 -4.261 0.000) 6.026 3.979 ( -2.084 -2.084 0.000) 2.947 4.079 ( -9.907 -9.907 0.000) 14.011 4.149 ( -3.937 -3.937 0.000) 5.568 4.380 ( 1.352 1.352 0.000) 1.913 4.422 ( 3.172 3.172 0.000) 4.486 4.633 ( 3.407 3.407 0.000) 4.818 4.637 ( 3.793 3.793 0.000) 5.364 4.705 ( -6.744 -6.744 0.000) 9.537 4.779 ( 0.186 0.186 0.000) 0.263 4.896 ( 0.650 0.650 0.000) 0.919 4.964 ( -6.626 -6.626 0.000) 9.371 4.969 ( 3.676 3.676 0.000) 5.198 5.132 ( 4.118 4.118 0.000) 5.824 5.150 ( -4.239 -4.239 0.000) 5.994 5.595 ( -2.928 -2.928 0.000) 4.141 5.616 ( -5.719 -5.719 0.000) 8.088 5.651 ( -3.308 -3.308 0.000) 4.678 5.862 ( -2.368 -2.368 0.000) 3.349 5.931 ( -2.961 -2.961 0.000) 4.188 5.943 ( -1.650 -1.650 0.000) 2.333 6.060 ( 5.139 5.139 0.000) 7.268 6.546 ( -3.387 -3.387 0.000) 4.790 7.112 ( 7.202 7.202 0.000) 10.185 7.183 ( 10.649 10.649 0.000) 15.060 7.707 ( -2.771 -2.771 0.000) 3.918 7.795 ( -1.494 -1.494 0.000) 2.112 10.390 ( 2.010 2.010 0.000) 2.843 10.571 ( -0.645 -0.645 0.000) 0.913 10.606 ( 0.762 0.762 0.000) 1.077 10.798 ( -2.151 -2.151 0.000) 3.041 11.686 ( 0.508 0.508 0.000) 0.718 11.736 ( 0.056 0.056 0.000) 0.080 11.759 ( 0.917 0.917 0.000) 1.297 11.889 ( -1.381 -1.381 0.000) 1.953 15.042 ( 1.361 1.361 0.000) 1.924 15.172 ( -1.538 -1.538 0.000) 2.176 15.237 ( 0.462 0.462 0.000) 0.653 15.262 ( 0.105 0.105 0.000) 0.149 18.729 ( 0.792 0.792 0.000) 1.120 18.806 ( -0.707 -0.707 0.000) 1.001 18.831 ( 0.023 0.023 0.000) 0.032 18.838 ( -0.298 -0.298 0.000) 0.422 18.852 ( -0.030 -0.030 0.000) 0.043 18.853 ( -0.379 -0.379 0.000) 0.536 18.891 ( 0.367 0.367 0.000) 0.519 18.909 ( -0.202 -0.202 0.000) 0.286 19.489 ( -0.012 -0.012 0.000) 0.017 19.497 ( 0.247 0.247 0.000) 0.350 19.504 ( 0.042 0.042 0.000) 0.060 19.544 ( -0.453 -0.453 0.000) 0.640 20.316 ( 0.065 0.065 0.000) 0.092 20.319 ( 0.123 0.123 0.000) 0.174 20.522 ( 0.357 0.357 0.000) 0.505 20.560 ( -0.447 -0.447 0.000) 0.632 22.154 ( 1.021 1.021 0.000) 1.444 22.255 ( -0.315 -0.315 0.000) 0.445 22.491 ( 1.307 1.307 0.000) 1.849 22.594 ( 0.376 0.376 0.000) 0.532 22.628 ( -1.118 -1.118 0.000) 1.581 22.632 ( -0.450 -0.450 0.000) 0.637 22.653 ( 0.051 0.051 0.000) 0.073 22.661 ( 0.050 0.050 0.000) 0.071 23.426 ( 0.141 0.141 0.000) 0.199 23.446 ( 0.570 0.570 0.000) 0.806 23.577 ( 1.481 1.481 0.000) 2.095 23.849 ( -3.334 -3.334 0.000) 4.714 24.812 ( 0.073 0.073 0.000) 0.104 24.844 ( -0.238 -0.238 0.000) 0.336 24.845 ( 0.444 0.444 0.000) 0.628 24.864 ( 0.020 0.020 0.000) 0.028 25.310 ( 1.224 1.224 0.000) 1.731 25.401 ( -0.340 -0.340 0.000) 0.481 25.662 ( -0.616 -0.616 0.000) 0.872 25.678 ( -0.623 -0.623 0.000) 0.880 27.519 ( -0.032 -0.032 0.000) 0.045 27.521 ( 0.005 0.005 0.000) 0.007 27.583 ( 0.120 0.120 0.000) 0.170 27.593 ( -0.092 -0.092 0.000) 0.130 28.450 ( -0.018 -0.018 0.000) 0.025 28.452 ( 0.026 0.026 0.000) 0.037 28.539 ( 0.609 0.609 0.000) 0.861 28.593 ( -0.531 -0.531 0.000) 0.751 43.060 ( 1.336 1.336 0.000) 1.890 43.188 ( 1.516 1.516 0.000) 2.145 44.738 ( -3.170 -3.170 0.000) 4.482 45.305 ( -11.956 -11.956 0.000) 16.908 52.175 ( 3.128 3.128 0.000) 4.423 52.201 ( 3.985 3.985 0.000) 5.636 52.291 ( 1.494 1.494 0.000) 2.112 52.376 ( 1.256 1.256 0.000) 1.776 53.759 ( -0.031 -0.031 0.000) 0.043 53.760 ( 0.002 0.002 0.000) 0.003 54.214 ( 0.107 0.107 0.000) 0.152 54.240 ( -0.784 -0.784 0.000) 1.109 54.395 ( 0.963 0.963 0.000) 1.362 54.483 ( -0.930 -0.930 0.000) 1.316 54.855 ( 3.601 3.601 0.000) 5.093 55.268 ( -5.117 -5.117 0.000) 7.236 57.108 ( 1.345 1.345 0.000) 1.902 57.164 ( 1.010 1.010 0.000) 1.428 57.170 ( 1.320 1.320 0.000) 1.867 57.311 ( -0.584 -0.584 0.000) 0.826 59.477 ( -0.027 -0.027 0.000) 0.038 59.482 ( 0.001 0.001 0.000) 0.002 59.494 ( 0.225 0.225 0.000) 0.318 59.514 ( -0.200 -0.200 0.000) 0.282 62.176 ( 0.223 0.223 0.000) 0.315 62.192 ( 0.062 0.062 0.000) 0.088 62.205 ( 0.039 0.039 0.000) 0.056 62.223 ( -0.177 -0.177 0.000) 0.250 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 18.912 6.511 0.000) 20.002 1.321 ( 17.193 23.213 0.000) 28.887 1.529 ( -15.598 -0.688 0.000) 15.613 1.620 ( -7.626 22.969 0.000) 24.201 1.983 ( 2.535 -2.568 0.000) 3.609 2.042 ( -3.075 -2.993 0.000) 4.291 2.158 ( 31.300 10.701 0.000) 33.079 2.406 ( 5.808 -11.554 0.000) 12.932 2.458 ( 3.320 -4.342 0.000) 5.466 2.555 ( -3.822 -10.804 0.000) 11.460 2.600 ( 0.598 2.838 0.000) 2.901 2.622 ( -0.993 1.753 0.000) 2.015 3.024 ( -14.124 6.983 0.000) 15.756 3.095 ( -16.390 -1.236 0.000) 16.437 3.447 ( 8.048 3.531 0.000) 8.789 3.453 ( 7.433 0.584 0.000) 7.456 3.551 ( 7.622 3.121 0.000) 8.236 3.614 ( -5.340 -2.620 0.000) 5.948 3.618 ( -7.838 5.863 0.000) 9.788 3.759 ( -9.540 1.118 0.000) 9.605 3.783 ( 5.964 -7.830 0.000) 9.843 3.904 ( -4.479 -11.754 0.000) 12.579 4.006 ( 2.429 -5.880 0.000) 6.362 4.069 ( -3.421 -5.014 0.000) 6.070 4.110 ( 9.953 1.063 0.000) 10.010 4.314 ( -7.795 4.862 0.000) 9.187 4.502 ( 3.960 5.493 0.000) 6.771 4.580 ( -3.225 7.571 0.000) 8.230 4.622 ( 1.380 -7.924 0.000) 8.043 4.743 ( -7.864 -3.042 0.000) 8.432 4.837 ( 9.430 -2.686 0.000) 9.805 4.863 ( 2.775 -4.009 0.000) 4.876 4.912 ( -0.642 -2.722 0.000) 2.796 5.021 ( -7.579 -3.570 0.000) 8.378 5.055 ( 4.416 0.083 0.000) 4.417 5.152 ( -3.096 -1.500 0.000) 3.441 5.500 ( -2.603 3.690 0.000) 4.516 5.513 ( -3.254 1.275 0.000) 3.495 5.670 ( 4.626 -1.531 0.000) 4.873 5.808 ( -6.975 0.080 0.000) 6.975 5.860 ( 1.335 -3.090 0.000) 3.366 5.901 ( -2.043 -3.302 0.000) 3.883 6.234 ( 9.325 0.085 0.000) 9.325 6.423 ( -7.823 -0.902 0.000) 7.875 7.285 ( 7.564 3.398 0.000) 8.292 7.356 ( 2.982 5.462 0.000) 6.223 7.661 ( 0.160 0.246 0.000) 0.293 7.728 ( -4.316 1.620 0.000) 4.610 10.448 ( 3.282 1.878 0.000) 3.782 10.521 ( -3.248 1.561 0.000) 3.603 10.659 ( 3.431 -1.527 0.000) 3.755 10.736 ( -3.480 -1.940 0.000) 3.984 11.702 ( 0.939 0.751 0.000) 1.202 11.723 ( -0.934 0.886 0.000) 1.288 11.797 ( 2.341 -0.503 0.000) 2.395 11.849 ( -2.284 -1.048 0.000) 2.513 15.082 ( 2.238 0.467 0.000) 2.286 15.131 ( -2.225 -0.539 0.000) 2.290 15.249 ( 0.599 0.276 0.000) 0.659 15.260 ( -0.347 0.064 0.000) 0.353 18.752 ( 1.313 0.596 0.000) 1.442 18.782 ( -1.368 0.202 0.000) 1.383 18.837 ( 0.162 -0.378 0.000) 0.412 18.838 ( 0.484 -0.414 0.000) 0.637 18.843 ( -0.444 -0.309 0.000) 0.541 18.848 ( -0.382 -0.317 0.000) 0.496 18.898 ( 0.286 0.128 0.000) 0.313 18.904 ( -0.289 -0.086 0.000) 0.301 19.490 ( 0.165 0.156 0.000) 0.227 19.495 ( -0.261 0.383 0.000) 0.463 19.514 ( 0.722 -0.316 0.000) 0.788 19.531 ( -0.734 -0.388 0.000) 0.831 20.319 ( 0.133 -0.025 0.000) 0.135 20.320 ( -0.017 0.010 0.000) 0.020 20.533 ( 0.637 0.210 0.000) 0.671 20.548 ( -0.692 -0.101 0.000) 0.699 22.186 ( 1.885 1.406 0.000) 2.352 22.228 ( -1.878 1.229 0.000) 2.245 22.538 ( 2.674 -0.395 0.000) 2.703 22.592 ( -2.206 -0.971 0.000) 2.410 22.605 ( 0.639 0.240 0.000) 0.682 22.620 ( -0.694 -0.014 0.000) 0.695 22.656 ( 0.205 -0.110 0.000) 0.233 22.660 ( -0.133 -0.089 0.000) 0.160 23.433 ( 0.480 0.884 0.000) 1.006 23.444 ( -0.505 1.466 0.000) 1.550 23.647 ( 4.602 -1.497 0.000) 4.840 23.755 ( -5.110 -2.769 0.000) 5.812 24.819 ( 0.475 0.203 0.000) 0.517 24.831 ( -0.611 0.425 0.000) 0.744 24.857 ( 0.426 -0.136 0.000) 0.447 24.863 ( -0.147 -0.065 0.000) 0.161 25.343 ( 1.804 1.149 0.000) 2.138 25.380 ( -1.491 0.731 0.000) 1.661 25.656 ( 0.050 -1.192 0.000) 1.193 25.664 ( -0.574 -1.011 0.000) 1.163 27.519 ( 0.040 0.042 0.000) 0.058 27.520 ( -0.059 0.066 0.000) 0.089 27.586 ( 0.196 -0.018 0.000) 0.196 27.590 ( -0.176 -0.088 0.000) 0.197 28.451 ( 0.058 0.068 0.000) 0.089 28.452 ( -0.046 0.091 0.000) 0.102 28.556 ( 0.951 0.200 0.000) 0.971 28.577 ( -0.925 -0.209 0.000) 0.948 43.114 ( 3.192 2.676 0.000) 4.165 43.176 ( -2.182 3.933 0.000) 4.498 44.784 ( 7.038 -12.484 0.000) 14.331 45.013 ( -13.589 -13.952 0.000) 19.476 52.225 ( 2.478 6.183 0.000) 6.661 52.276 ( -1.744 5.584 0.000) 5.850 52.322 ( 4.778 2.191 0.000) 5.256 52.386 ( -0.979 1.695 0.000) 1.957 53.759 ( 0.034 0.035 0.000) 0.049 53.760 ( -0.052 0.056 0.000) 0.076 54.215 ( 0.152 0.407 0.000) 0.435 54.223 ( -0.619 0.107 0.000) 0.628 54.422 ( 1.541 0.316 0.000) 1.573 54.456 ( -1.521 -0.403 0.000) 1.574 54.971 ( 6.800 -0.159 0.000) 6.802 55.128 ( -7.476 -3.156 0.000) 8.115 57.132 ( 1.002 2.568 0.000) 2.756 57.152 ( -0.848 2.845 0.000) 2.968 57.236 ( 3.057 -0.436 0.000) 3.088 57.288 ( -1.740 -0.525 0.000) 1.817 59.478 ( 0.081 0.074 0.000) 0.109 59.480 ( -0.110 0.107 0.000) 0.154 59.500 ( 0.371 -0.031 0.000) 0.372 59.508 ( -0.342 -0.150 0.000) 0.373 62.182 ( 0.333 0.297 0.000) 0.446 62.189 ( -0.286 0.341 0.000) 0.445 62.210 ( 0.349 -0.209 0.000) 0.406 62.217 ( -0.327 -0.193 0.000) 0.379 ======================= Grid point 12 (6/36) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 8.521 8.521 0.000) 12.050 1.475 ( -4.947 -4.947 0.000) 6.996 1.767 ( 17.102 17.102 0.000) 24.186 1.942 ( -0.386 -0.386 0.000) 0.546 1.974 ( -2.904 -2.904 0.000) 4.107 2.041 ( 3.265 3.265 0.000) 4.617 2.143 ( -2.765 -2.765 0.000) 3.911 2.314 ( -9.126 -9.126 0.000) 12.906 2.521 ( 10.358 10.358 0.000) 14.648 2.528 ( 18.769 18.769 0.000) 26.543 2.652 ( 1.621 1.621 0.000) 2.292 2.658 ( 1.079 1.079 0.000) 1.526 2.954 ( -8.061 -8.061 0.000) 11.401 3.074 ( -9.808 -9.808 0.000) 13.871 3.428 ( 0.304 0.304 0.000) 0.430 3.480 ( 2.094 2.094 0.000) 2.961 3.541 ( -3.418 -3.418 0.000) 4.833 3.573 ( -10.945 -10.945 0.000) 15.479 3.649 ( 5.452 5.452 0.000) 7.710 3.731 ( 2.702 2.702 0.000) 3.821 3.756 ( -2.979 -2.979 0.000) 4.213 3.762 ( 0.558 0.558 0.000) 0.789 3.911 ( -0.880 -0.880 0.000) 1.245 3.964 ( -4.410 -4.410 0.000) 6.236 4.209 ( 7.802 7.802 0.000) 11.034 4.400 ( -5.578 -5.578 0.000) 7.889 4.458 ( 2.547 2.547 0.000) 3.602 4.630 ( -8.681 -8.681 0.000) 12.277 4.632 ( 6.186 6.186 0.000) 8.748 4.742 ( 1.424 1.424 0.000) 2.013 4.766 ( 1.754 1.754 0.000) 2.480 4.807 ( 0.445 0.445 0.000) 0.630 4.845 ( -2.510 -2.510 0.000) 3.549 4.913 ( -6.440 -6.440 0.000) 9.108 5.053 ( -0.038 -0.038 0.000) 0.053 5.087 ( -3.303 -3.303 0.000) 4.671 5.547 ( 2.709 2.709 0.000) 3.831 5.607 ( 0.126 0.126 0.000) 0.178 5.639 ( 2.689 2.689 0.000) 3.802 5.738 ( -4.089 -4.089 0.000) 5.783 5.846 ( 0.891 0.891 0.000) 1.260 5.881 ( -0.653 -0.653 0.000) 0.924 6.263 ( 3.285 3.285 0.000) 4.646 6.361 ( -4.685 -4.685 0.000) 6.625 7.365 ( 3.560 3.560 0.000) 5.035 7.414 ( -0.399 -0.399 0.000) 0.565 7.698 ( 2.784 2.784 0.000) 3.937 7.742 ( -0.737 -0.737 0.000) 1.042 10.501 ( 2.789 2.789 0.000) 3.944 10.545 ( -0.406 -0.406 0.000) 0.574 10.636 ( 0.468 0.468 0.000) 0.662 10.681 ( -2.868 -2.868 0.000) 4.056 11.723 ( 1.073 1.073 0.000) 1.517 11.738 ( 0.032 0.032 0.000) 0.045 11.793 ( 0.510 0.510 0.000) 0.721 11.819 ( -1.561 -1.561 0.000) 2.207 15.097 ( 0.865 0.865 0.000) 1.223 15.116 ( -0.841 -0.841 0.000) 1.190 15.256 ( 0.276 0.276 0.000) 0.391 15.260 ( -0.107 -0.107 0.000) 0.152 18.769 ( 0.832 0.832 0.000) 1.177 18.782 ( -0.314 -0.314 0.000) 0.445 18.832 ( 0.009 0.009 0.000) 0.013 18.833 ( 0.010 0.010 0.000) 0.014 18.836 ( -0.295 -0.295 0.000) 0.417 18.838 ( -0.486 -0.486 0.000) 0.687 18.899 ( 0.052 0.052 0.000) 0.074 18.901 ( -0.127 -0.127 0.000) 0.180 19.496 ( 0.374 0.374 0.000) 0.529 19.504 ( -0.018 -0.018 0.000) 0.025 19.507 ( 0.153 0.153 0.000) 0.216 19.519 ( -0.611 -0.611 0.000) 0.864 20.319 ( 0.042 0.042 0.000) 0.059 20.320 ( -0.051 -0.051 0.000) 0.072 20.539 ( 0.289 0.289 0.000) 0.408 20.544 ( -0.222 -0.222 0.000) 0.314 22.221 ( 1.603 1.603 0.000) 2.267 22.243 ( -0.188 -0.188 0.000) 0.266 22.540 ( 0.709 0.709 0.000) 1.003 22.565 ( -1.423 -1.423 0.000) 2.013 22.611 ( 0.336 0.336 0.000) 0.475 22.618 ( -0.200 -0.200 0.000) 0.283 22.655 ( 0.032 0.032 0.000) 0.045 22.657 ( -0.151 -0.151 0.000) 0.213 23.457 ( 1.184 1.184 0.000) 1.675 23.469 ( 0.366 0.366 0.000) 0.518 23.634 ( 0.846 0.846 0.000) 1.197 23.684 ( -3.386 -3.386 0.000) 4.788 24.826 ( 0.419 0.419 0.000) 0.592 24.834 ( -0.174 -0.174 0.000) 0.246 24.857 ( 0.137 0.137 0.000) 0.193 24.861 ( -0.167 -0.167 0.000) 0.236 25.371 ( 1.229 1.229 0.000) 1.738 25.388 ( -0.202 -0.202 0.000) 0.286 25.637 ( -0.411 -0.411 0.000) 0.581 25.642 ( -0.800 -0.800 0.000) 1.131 27.520 ( 0.065 0.065 0.000) 0.092 27.521 ( 0.003 0.003 0.000) 0.004 27.586 ( 0.042 0.042 0.000) 0.060 27.588 ( -0.109 -0.109 0.000) 0.154 28.453 ( 0.086 0.086 0.000) 0.122 28.453 ( 0.022 0.022 0.000) 0.031 28.562 ( 0.348 0.348 0.000) 0.492 28.570 ( -0.382 -0.382 0.000) 0.540 43.192 ( 3.836 3.836 0.000) 5.424 43.235 ( 0.577 0.577 0.000) 0.816 44.599 ( -2.340 -2.340 0.000) 3.309 44.710 ( -11.719 -11.719 0.000) 16.574 52.334 ( 3.069 3.069 0.000) 4.340 52.357 ( 1.184 1.184 0.000) 1.674 52.381 ( 3.114 3.114 0.000) 4.404 52.414 ( 0.297 0.297 0.000) 0.419 53.760 ( 0.055 0.055 0.000) 0.077 53.761 ( 0.001 0.001 0.000) 0.002 54.223 ( 0.220 0.220 0.000) 0.311 54.225 ( -0.001 -0.001 0.000) 0.001 54.432 ( 0.559 0.559 0.000) 0.790 54.445 ( -0.613 -0.613 0.000) 0.866 54.988 ( 1.930 1.930 0.000) 2.730 55.050 ( -3.644 -3.644 0.000) 5.154 57.183 ( 1.973 1.973 0.000) 2.791 57.208 ( 0.726 0.726 0.000) 1.027 57.229 ( 0.998 0.998 0.000) 1.412 57.267 ( -1.476 -1.476 0.000) 2.088 59.480 ( 0.115 0.115 0.000) 0.163 59.482 ( 0.001 0.001 0.000) 0.001 59.501 ( 0.090 0.090 0.000) 0.128 59.504 ( -0.206 -0.206 0.000) 0.291 62.190 ( 0.381 0.381 0.000) 0.539 62.195 ( 0.047 0.047 0.000) 0.066 62.206 ( 0.020 0.020 0.000) 0.029 62.212 ( -0.330 -0.330 0.000) 0.466 ======================= Grid point 25 (7/36) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 0.000 0.000 25.623) 25.623 0.487 ( -0.000 0.000 25.623) 25.623 0.942 ( -0.000 -0.000 47.238) 47.238 1.123 ( 0.000 0.000 13.504) 13.504 2.085 ( 0.000 0.000 15.350) 15.350 2.085 ( 0.000 0.000 15.350) 15.350 2.265 ( -0.000 -0.000 -0.819) 0.819 2.653 ( 0.000 0.000 1.874) 1.874 2.653 ( 0.000 -0.000 1.874) 1.874 2.664 ( 0.000 0.000 2.729) 2.729 2.759 ( 0.000 0.000 -6.875) 6.875 2.931 ( 0.000 0.000 -0.129) 0.129 2.931 ( 0.000 0.000 -0.129) 0.129 2.947 ( 0.000 0.000 4.075) 4.075 3.288 ( 0.000 0.000 3.047) 3.047 3.490 ( 0.000 0.000 -2.437) 2.437 3.570 ( -0.000 -0.000 0.125) 0.125 3.570 ( 0.000 0.000 0.125) 0.125 3.684 ( 0.000 0.000 -0.269) 0.269 3.812 ( 0.000 0.000 4.253) 4.253 3.961 ( 0.000 -0.000 9.872) 9.872 4.011 ( -0.000 -0.000 -3.106) 3.106 4.011 ( 0.000 0.000 -3.106) 3.106 4.217 ( -0.000 0.000 -4.333) 4.333 4.282 ( -0.000 -0.000 -4.436) 4.436 4.282 ( 0.000 0.000 -4.436) 4.436 4.470 ( -0.000 -0.000 -4.734) 4.734 4.470 ( 0.000 0.000 -4.734) 4.734 4.801 ( 0.000 0.000 -2.210) 2.210 4.801 ( 0.000 0.000 -2.210) 2.210 4.833 ( -0.000 -0.000 0.780) 0.780 4.887 ( 0.000 0.000 1.314) 1.314 4.960 ( -0.000 0.000 -1.650) 1.650 5.097 ( -0.000 -0.000 -3.626) 3.626 5.226 ( 0.000 0.000 -2.318) 2.318 5.634 ( -0.000 0.000 -0.510) 0.510 5.634 ( 0.000 0.000 -0.510) 0.510 5.709 ( -0.000 -0.000 -16.560) 16.560 5.716 ( -0.000 0.000 -8.214) 8.214 5.855 ( -0.000 0.000 -1.938) 1.938 5.865 ( 0.000 0.000 -7.381) 7.381 5.996 ( 0.000 0.000 2.416) 2.416 5.996 ( 0.000 0.000 2.416) 2.416 6.319 ( 0.000 0.000 10.796) 10.796 6.693 ( 0.000 0.000 1.358) 1.358 6.858 ( 0.000 0.000 -4.836) 4.836 6.858 ( 0.000 -0.000 -4.836) 4.836 7.788 ( 0.000 0.000 -4.740) 4.740 10.420 ( -0.000 0.000 7.431) 7.431 10.654 ( 0.000 0.000 6.620) 6.620 10.654 ( -0.000 0.000 6.620) 6.620 10.896 ( -0.000 0.000 4.869) 4.869 11.753 ( 0.000 0.000 7.398) 7.398 11.796 ( 0.000 0.000 5.912) 5.912 11.796 ( 0.000 0.000 5.912) 5.912 12.487 ( 0.000 0.000 0.519) 0.519 14.995 ( 0.000 0.000 -1.308) 1.308 15.204 ( 0.000 0.000 -1.453) 1.453 15.204 ( -0.000 -0.000 -1.453) 1.453 15.236 ( 0.000 0.000 -1.485) 1.485 18.698 ( -0.000 0.000 -1.167) 1.167 18.812 ( 0.000 0.000 -1.447) 1.447 18.812 ( 0.000 0.000 -1.447) 1.447 18.841 ( -0.000 -0.000 -0.688) 0.688 18.860 ( -0.000 0.000 1.110) 1.110 18.879 ( -0.000 0.000 1.515) 1.515 18.879 ( 0.000 0.000 1.515) 1.515 18.888 ( 0.000 0.000 1.030) 1.030 19.504 ( 0.000 0.000 1.145) 1.145 19.504 ( -0.000 -0.000 1.145) 1.145 19.512 ( 0.000 0.000 0.705) 0.705 19.561 ( -0.000 -0.000 0.663) 0.663 20.434 ( -0.000 0.000 11.950) 11.950 20.434 ( 0.000 0.000 11.950) 11.950 20.627 ( 0.000 0.000 11.306) 11.306 21.456 ( -0.000 0.000 4.812) 4.812 22.130 ( 0.000 0.000 -0.541) 0.541 22.227 ( 0.000 0.000 -3.586) 3.586 22.227 ( 0.000 0.000 -3.586) 3.586 22.583 ( 0.000 0.000 -0.190) 0.190 22.616 ( -0.000 0.000 -3.640) 3.640 22.653 ( 0.000 0.000 0.176) 0.176 22.654 ( 0.000 0.000 0.229) 0.229 22.654 ( 0.000 0.000 0.229) 0.229 23.422 ( -0.000 0.000 -1.017) 1.017 23.422 ( 0.000 -0.000 -1.017) 1.017 23.427 ( 0.000 0.000 -0.186) 0.186 23.869 ( -0.000 0.000 -5.345) 5.345 24.821 ( -0.000 0.000 -0.126) 0.126 24.821 ( -0.000 0.000 -0.126) 0.126 24.827 ( -0.000 0.000 0.353) 0.353 24.863 ( 0.000 0.000 -0.039) 0.039 25.285 ( -0.000 -0.000 0.315) 0.315 25.401 ( 0.000 0.000 -0.881) 0.881 25.401 ( 0.000 0.000 -0.881) 0.881 25.665 ( 0.000 0.000 -2.543) 2.543 27.538 ( 0.000 0.000 1.736) 1.736 27.538 ( 0.000 0.000 1.736) 1.736 27.603 ( 0.000 0.000 2.333) 2.333 27.632 ( 0.000 0.000 1.115) 1.115 28.439 ( 0.000 0.000 -1.273) 1.273 28.439 ( -0.000 0.000 -1.273) 1.273 28.511 ( -0.000 -0.000 -1.199) 1.199 28.592 ( 0.000 -0.000 -1.360) 1.360 43.041 ( 0.000 0.000 -1.190) 1.190 43.041 ( -0.000 0.000 -1.190) 1.190 43.194 ( 0.000 0.000 5.743) 5.743 45.483 ( 0.000 0.000 -8.500) 8.500 52.096 ( -0.000 -0.000 -1.328) 1.328 52.096 ( 0.000 0.000 -1.328) 1.328 52.249 ( -0.000 0.000 -0.606) 0.606 52.333 ( -0.000 -0.000 -0.845) 0.845 53.813 ( 0.000 0.000 5.129) 5.129 53.813 ( 0.000 0.000 5.129) 5.129 54.179 ( 0.000 0.000 -3.303) 3.303 54.179 ( 0.000 0.000 -3.303) 3.303 54.262 ( 0.000 0.000 -0.563) 0.563 54.533 ( 0.000 0.000 2.434) 2.434 55.092 ( -0.000 0.000 0.863) 0.863 55.347 ( -0.000 0.000 -4.079) 4.079 57.049 ( 0.000 0.000 -2.731) 2.731 57.089 ( 0.000 0.000 -4.737) 4.737 57.089 ( 0.000 0.000 -4.737) 4.737 57.271 ( 0.000 0.000 -4.952) 4.952 59.604 ( 0.000 0.000 11.812) 11.812 59.615 ( 0.000 0.000 13.086) 13.086 59.615 ( 0.000 0.000 13.086) 13.086 60.072 ( 0.000 0.000 8.580) 8.580 62.171 ( -0.000 0.000 -0.198) 0.198 62.175 ( 0.000 0.000 -1.688) 1.688 62.175 ( 0.000 0.000 -1.688) 1.688 62.198 ( -0.000 0.000 -2.881) 2.881 ======================= Grid point 26 (8/36) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 17.639 0.000 17.524) 24.864 0.911 ( 20.497 0.000 22.695) 30.580 1.268 ( 24.106 0.000 20.912) 31.913 1.377 ( 25.003 0.000 15.296) 29.311 1.991 ( -9.474 0.000 13.559) 16.541 2.112 ( 2.029 0.000 14.723) 14.862 2.202 ( -3.847 0.000 2.576) 4.630 2.518 ( -6.706 0.000 2.522) 7.165 2.597 ( -4.463 0.000 -2.160) 4.958 2.627 ( -3.113 0.000 2.162) 3.790 2.704 ( -2.732 0.000 2.814) 3.922 2.857 ( -6.037 0.000 3.602) 7.030 3.017 ( 3.497 0.000 -3.854) 5.204 3.071 ( 9.010 0.000 -3.121) 9.535 3.330 ( 0.102 0.000 0.333) 0.348 3.439 ( 3.391 0.000 6.634) 7.450 3.501 ( -4.431 0.000 3.742) 5.800 3.618 ( -6.820 0.000 -2.593) 7.296 3.738 ( 5.820 0.000 -5.407) 7.944 3.760 ( -3.692 0.000 1.346) 3.930 3.914 ( -3.043 0.000 7.300) 7.909 3.969 ( -1.886 0.000 -2.194) 2.893 4.042 ( 2.274 0.000 -0.643) 2.364 4.175 ( -3.527 0.000 -3.135) 4.720 4.270 ( -0.345 0.000 -0.384) 0.516 4.278 ( -2.222 0.000 -1.787) 2.852 4.470 ( -0.340 0.000 -3.665) 3.680 4.478 ( -2.182 0.000 -3.023) 3.728 4.650 ( -1.921 0.000 1.476) 2.422 4.766 ( -0.562 0.000 -4.692) 4.726 4.852 ( -8.218 0.000 2.874) 8.706 4.914 ( 4.678 0.000 0.456) 4.701 4.929 ( 1.946 0.000 2.301) 3.013 4.995 ( -8.708 0.000 -3.760) 9.485 5.080 ( 1.068 0.000 5.165) 5.274 5.227 ( -0.297 0.000 1.587) 1.615 5.595 ( -5.530 0.000 -2.841) 6.218 5.653 ( -2.335 0.000 -5.435) 5.915 5.721 ( -12.747 0.000 -1.646) 12.853 5.835 ( -0.254 0.000 -4.718) 4.725 5.894 ( -3.148 0.000 -1.615) 3.538 5.934 ( -1.696 0.000 -2.444) 2.975 6.089 ( 7.362 0.000 3.426) 8.120 6.597 ( -5.005 0.000 3.372) 6.035 6.959 ( 15.984 0.000 -7.564) 17.684 6.978 ( 9.268 0.000 -5.986) 11.033 7.211 ( 21.444 0.000 -30.473) 37.262 7.745 ( -3.998 0.000 -5.168) 6.534 10.442 ( 1.980 0.000 7.350) 7.612 10.632 ( -2.044 0.000 6.703) 7.008 10.678 ( 2.141 0.000 6.473) 6.818 10.873 ( -2.052 0.000 5.052) 5.453 11.756 ( 0.332 0.000 7.324) 7.332 11.793 ( -0.285 0.000 6.096) 6.103 11.820 ( 2.146 0.000 6.224) 6.583 12.192 ( -14.225 0.000 15.316) 20.903 15.013 ( 1.686 0.000 -1.404) 2.194 15.175 ( -2.179 0.000 -1.522) 2.658 15.214 ( 0.703 0.000 -1.618) 1.765 15.245 ( 0.339 0.000 -1.459) 1.498 18.708 ( 0.898 0.000 -1.135) 1.447 18.804 ( -1.153 0.000 -1.092) 1.588 18.815 ( 0.199 0.000 -1.432) 1.446 18.837 ( -0.323 0.000 -0.849) 0.908 18.864 ( 0.351 0.000 0.932) 0.996 18.874 ( -0.273 0.000 1.572) 1.595 18.895 ( 0.407 0.000 0.938) 1.023 18.897 ( 0.810 0.000 0.145) 0.822 19.503 ( -0.070 0.000 1.135) 1.138 19.504 ( -0.049 0.000 1.090) 1.091 19.515 ( 0.344 0.000 0.836) 0.904 19.556 ( -0.461 0.000 0.680) 0.821 20.438 ( 0.332 0.000 12.103) 12.108 20.442 ( 0.535 0.000 12.051) 12.063 20.633 ( 0.626 0.000 11.498) 11.515 20.946 ( -18.494 0.000 25.490) 31.493 22.133 ( 0.408 0.000 -0.986) 1.067 22.214 ( -1.128 0.000 -3.365) 3.549 22.397 ( 5.868 0.000 -7.421) 9.460 22.588 ( 0.447 0.000 -0.170) 0.479 22.602 ( -1.314 0.000 -3.746) 3.970 22.639 ( -0.796 0.000 0.082) 0.800 22.656 ( 0.195 0.000 0.280) 0.341 22.663 ( 0.269 0.000 0.299) 0.402 23.421 ( -0.098 0.000 -0.933) 0.938 23.421 ( -0.237 0.000 -0.450) 0.508 23.515 ( 4.965 0.000 -4.155) 6.474 23.832 ( -3.279 0.000 -5.119) 6.079 24.820 ( -0.075 0.000 -0.118) 0.140 24.822 ( -0.071 0.000 -0.087) 0.112 24.847 ( 0.807 0.000 -0.337) 0.875 24.863 ( 0.058 0.000 -0.049) 0.076 25.298 ( 1.102 0.000 0.195) 1.119 25.391 ( -0.885 0.000 -0.774) 1.176 25.550 ( 5.976 0.000 -7.669) 9.722 25.658 ( -0.566 0.000 -2.648) 2.708 27.538 ( -0.041 0.000 1.752) 1.752 27.539 ( -0.016 0.000 1.774) 1.775 27.605 ( 0.166 0.000 2.297) 2.303 27.622 ( -0.471 0.000 2.048) 2.101 28.438 ( -0.063 0.000 -1.271) 1.272 28.439 ( -0.034 0.000 -1.281) 1.282 28.518 ( 0.739 0.000 -1.310) 1.504 28.585 ( -0.674 0.000 -1.367) 1.524 43.059 ( 1.601 0.000 -0.602) 1.711 43.180 ( -1.054 0.000 4.782) 4.897 44.030 ( 45.191 0.000 -44.795) 63.630 45.351 ( -11.532 0.000 -9.326) 14.831 52.101 ( 0.575 0.000 -1.468) 1.576 52.153 ( 4.465 0.000 -2.062) 4.918 52.233 ( -1.176 0.000 -0.397) 1.241 52.335 ( 0.557 0.000 -1.424) 1.529 53.813 ( 0.039 0.000 5.213) 5.213 53.816 ( 0.113 0.000 5.306) 5.308 54.152 ( -0.516 0.000 -4.832) 4.859 54.173 ( -0.463 0.000 -3.536) 3.566 54.398 ( 7.151 0.000 -1.410) 7.289 54.527 ( -0.530 0.000 2.913) 2.961 54.952 ( -5.575 0.000 6.973) 8.928 55.282 ( -5.708 0.000 -3.914) 6.921 57.052 ( 0.299 0.000 -2.986) 3.001 57.086 ( -0.344 0.000 -4.508) 4.521 57.121 ( 2.588 0.000 -4.897) 5.539 57.258 ( -0.928 0.000 -5.193) 5.275 59.605 ( 0.119 0.000 11.906) 11.907 59.615 ( -0.064 0.000 12.827) 12.828 59.623 ( 0.719 0.000 13.460) 13.479 59.838 ( -10.612 0.000 21.262) 23.763 62.167 ( -0.062 0.000 -0.591) 0.595 62.173 ( -0.123 0.000 -1.700) 1.705 62.183 ( 0.393 0.000 -2.125) 2.161 62.198 ( -0.051 0.000 -2.709) 2.709 ======================= Grid point 27 (9/36) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 18.011 0.000 11.266) 21.244 1.301 ( 15.403 0.000 18.649) 24.187 1.435 ( -3.672 0.000 10.724) 11.336 1.702 ( -16.382 0.000 14.802) 22.079 2.078 ( 17.492 0.000 6.682) 18.725 2.147 ( -1.443 0.000 6.163) 6.330 2.197 ( 17.313 0.000 13.601) 22.017 2.516 ( -3.721 0.000 0.168) 3.724 2.576 ( 3.994 0.000 1.175) 4.163 2.594 ( 7.881 0.000 3.217) 8.512 2.639 ( -3.462 0.000 3.433) 4.876 2.776 ( 2.988 0.000 2.556) 3.932 2.896 ( -16.561 0.000 4.039) 17.046 3.104 ( -19.031 0.000 -0.289) 19.033 3.267 ( 8.717 0.000 -5.363) 10.235 3.441 ( -8.113 0.000 -5.583) 9.848 3.503 ( 4.689 0.000 -0.785) 4.755 3.558 ( 4.869 0.000 2.971) 5.704 3.692 ( -5.747 0.000 -2.293) 6.188 3.711 ( -2.929 0.000 1.677) 3.375 3.902 ( 3.575 0.000 1.970) 4.082 3.997 ( -1.941 0.000 -2.105) 2.863 4.103 ( 3.573 0.000 0.591) 3.622 4.145 ( 4.265 0.000 -1.481) 4.515 4.199 ( -3.763 0.000 3.071) 4.857 4.262 ( -2.049 0.000 5.020) 5.422 4.448 ( -0.975 0.000 -2.945) 3.102 4.455 ( -0.592 0.000 -0.146) 0.610 4.706 ( 1.664 0.000 -6.221) 6.440 4.762 ( 1.221 0.000 -1.346) 1.817 4.779 ( 0.807 0.000 -6.962) 7.009 4.796 ( -7.792 0.000 -4.294) 8.897 4.986 ( 2.325 0.000 3.009) 3.802 4.997 ( 2.056 0.000 0.574) 2.134 5.152 ( 4.013 0.000 0.714) 4.076 5.205 ( -1.389 0.000 5.658) 5.826 5.450 ( -5.400 0.000 -4.756) 7.196 5.471 ( -8.212 0.000 -1.371) 8.326 5.674 ( 3.792 0.000 -1.852) 4.220 5.792 ( -6.290 0.000 0.407) 6.303 5.852 ( 1.498 0.000 -6.334) 6.509 5.888 ( -1.841 0.000 -5.841) 6.125 6.271 ( 9.111 0.000 3.810) 9.875 6.457 ( -7.924 0.000 3.871) 8.819 7.167 ( 6.833 0.000 -8.341) 10.782 7.198 ( 5.464 0.000 -7.628) 9.383 7.463 ( 7.070 0.000 -16.617) 18.059 7.622 ( -7.251 0.000 -7.238) 10.245 10.500 ( 3.261 0.000 7.146) 7.855 10.572 ( -3.317 0.000 6.910) 7.665 10.739 ( 3.410 0.000 6.069) 6.962 10.813 ( -3.352 0.000 5.526) 6.463 11.768 ( 0.685 0.000 7.089) 7.122 11.783 ( -0.653 0.000 6.619) 6.651 11.884 ( 3.848 0.000 7.473) 8.406 11.989 ( -6.337 0.000 10.786) 12.509 15.062 ( 2.674 0.000 -1.542) 3.087 15.121 ( -2.765 0.000 -1.579) 3.184 15.231 ( 0.779 0.000 -1.521) 1.708 15.244 ( -0.417 0.000 -1.474) 1.531 18.735 ( 1.546 0.000 -1.032) 1.859 18.771 ( -1.732 0.000 -0.904) 1.953 18.820 ( 0.345 0.000 -1.299) 1.344 18.829 ( -0.422 0.000 -1.056) 1.137 18.869 ( 0.113 0.000 1.195) 1.200 18.870 ( -0.081 0.000 1.510) 1.512 18.902 ( 0.270 0.000 0.714) 0.763 18.905 ( 0.052 0.000 0.354) 0.358 19.502 ( -0.029 0.000 1.112) 1.112 19.503 ( -0.076 0.000 1.085) 1.088 19.527 ( 0.709 0.000 0.814) 1.079 19.543 ( -0.737 0.000 0.734) 1.040 20.446 ( 0.342 0.000 12.449) 12.454 20.449 ( 0.075 0.000 12.500) 12.500 20.658 ( 1.847 0.000 12.586) 12.721 20.726 ( -5.224 0.000 16.588) 17.391 22.151 ( 1.242 0.000 -1.879) 2.253 22.183 ( -1.631 0.000 -2.750) 3.198 22.493 ( 3.748 0.000 -5.045) 6.285 22.561 ( -2.539 0.000 -4.155) 4.870 22.601 ( 0.790 0.000 -0.100) 0.796 22.620 ( -0.926 0.000 -0.004) 0.926 22.661 ( 0.232 0.000 0.341) 0.412 22.665 ( -0.066 0.000 0.359) 0.365 23.418 ( -0.047 0.000 -0.541) 0.543 23.418 ( -0.098 0.000 -0.736) 0.742 23.623 ( 5.345 0.000 -4.106) 6.740 23.738 ( -5.229 0.000 -4.572) 6.946 24.819 ( -0.014 0.000 -0.107) 0.108 24.820 ( -0.076 0.000 -0.100) 0.125 24.858 ( 0.378 0.000 -0.099) 0.391 24.863 ( -0.101 0.000 -0.060) 0.118 25.329 ( 1.684 0.000 -0.115) 1.688 25.364 ( -1.550 0.000 -0.486) 1.624 25.619 ( 1.617 0.000 -4.723) 4.992 25.643 ( -0.841 0.000 -3.171) 3.280 27.537 ( -0.006 0.000 1.785) 1.785 27.538 ( -0.055 0.000 1.809) 1.810 27.610 ( 0.232 0.000 2.226) 2.238 27.615 ( -0.247 0.000 2.167) 2.181 28.437 ( -0.017 0.000 -1.283) 1.284 28.438 ( -0.040 0.000 -1.292) 1.293 28.540 ( 1.182 0.000 -1.393) 1.827 28.565 ( -1.118 0.000 -1.385) 1.780 43.102 ( 2.266 0.000 1.002) 2.478 43.148 ( -1.907 0.000 3.089) 3.631 44.664 ( 20.319 0.000 -25.165) 32.343 45.043 ( -16.334 0.000 -13.404) 21.130 52.127 ( 1.892 0.000 -1.718) 2.556 52.174 ( -2.181 0.000 -1.915) 2.902 52.277 ( 4.314 0.000 -1.521) 4.574 52.337 ( -1.061 0.000 -2.113) 2.365 53.815 ( 0.079 0.000 5.397) 5.397 53.816 ( -0.072 0.000 5.501) 5.501 54.152 ( 0.305 0.000 -5.009) 5.018 54.162 ( -0.570 0.000 -4.194) 4.233 54.489 ( 1.855 0.000 3.686) 4.126 54.513 ( -0.786 0.000 4.035) 4.111 54.965 ( 5.669 0.000 -0.237) 5.674 55.126 ( -8.277 0.000 -3.267) 8.898 57.062 ( 0.603 0.000 -3.414) 3.467 57.075 ( -0.616 0.000 -3.961) 4.009 57.182 ( 2.806 0.000 -5.360) 6.049 57.231 ( -1.719 0.000 -5.567) 5.826 59.609 ( 0.180 0.000 12.077) 12.078 59.612 ( -0.149 0.000 12.380) 12.381 59.647 ( 1.639 0.000 14.828) 14.919 59.700 ( -3.667 0.000 17.693) 18.069 62.167 ( 0.087 0.000 -1.195) 1.198 62.170 ( -0.155 0.000 -1.586) 1.594 62.191 ( 0.295 0.000 -2.189) 2.209 62.196 ( -0.169 0.000 -2.388) 2.394 ======================= Grid point 31 (10/36) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 18.824 18.824 11.760) 29.103 1.051 ( 12.983 12.983 21.816) 28.514 1.560 ( 15.897 15.897 8.207) 23.933 1.564 ( 23.737 23.737 16.904) 37.585 1.949 ( -6.398 -6.398 13.478) 16.233 2.076 ( -0.371 -0.371 11.557) 11.569 2.186 ( -1.013 -1.013 7.788) 7.918 2.413 ( -6.813 -6.813 3.964) 10.418 2.533 ( -5.039 -5.039 -0.432) 7.139 2.629 ( -1.966 -1.966 3.004) 4.094 2.629 ( -0.910 -0.910 -0.178) 1.298 2.732 ( -8.111 -8.111 2.911) 11.835 3.103 ( 4.272 4.272 -5.740) 8.333 3.190 ( 6.996 6.996 -1.962) 10.086 3.338 ( -3.292 -3.292 -0.573) 4.690 3.468 ( 2.620 2.620 5.651) 6.757 3.489 ( -0.505 -0.505 4.976) 5.026 3.578 ( -1.945 -1.945 -3.647) 4.568 3.774 ( -0.300 -0.300 1.849) 1.897 3.823 ( 5.395 5.395 -4.511) 8.863 3.860 ( -3.942 -3.942 5.646) 7.934 3.903 ( -3.850 -3.850 -3.213) 6.321 4.009 ( -2.971 -2.971 0.534) 4.236 4.120 ( -5.193 -5.193 3.689) 8.218 4.151 ( -2.829 -2.829 -0.128) 4.002 4.367 ( 1.807 1.807 -1.642) 3.037 4.446 ( -0.787 -0.787 0.294) 1.151 4.535 ( 2.453 2.453 -8.591) 9.265 4.602 ( 0.440 0.440 -2.499) 2.575 4.744 ( -0.234 -0.234 -3.463) 3.479 4.774 ( -5.866 -5.866 3.339) 8.943 4.907 ( 0.143 0.143 0.387) 0.437 4.917 ( -6.313 -6.313 -4.737) 10.107 4.985 ( 3.925 3.925 1.662) 5.794 5.037 ( -3.110 -3.110 -1.603) 4.682 5.274 ( 2.185 2.185 6.032) 6.777 5.555 ( -4.646 -4.646 -5.930) 8.850 5.617 ( -6.241 -6.241 -0.752) 8.858 5.620 ( -1.367 -1.367 -1.973) 2.763 5.806 ( -1.553 -1.553 -5.469) 5.893 5.890 ( -2.150 -2.150 -4.579) 5.497 5.966 ( -1.157 -1.157 3.183) 3.579 6.076 ( 4.065 4.065 2.600) 6.309 6.571 ( -3.506 -3.506 2.980) 5.784 7.044 ( 6.602 6.602 -6.599) 11.433 7.125 ( 10.437 10.437 -6.482) 16.120 7.362 ( 8.797 8.797 -26.809) 29.555 7.716 ( -2.644 -2.644 -5.835) 6.931 10.463 ( 1.931 1.931 7.259) 7.756 10.638 ( -0.666 -0.666 6.574) 6.641 10.672 ( 0.718 0.718 6.548) 6.627 10.851 ( -2.000 -2.000 5.219) 5.936 11.761 ( 0.458 0.458 7.252) 7.281 11.799 ( 0.155 0.155 6.122) 6.126 11.829 ( 1.260 1.260 6.600) 6.836 12.089 ( -6.851 -6.851 14.026) 17.047 15.027 ( 1.332 1.332 -1.408) 2.352 15.157 ( -1.540 -1.540 -1.497) 2.643 15.220 ( 0.499 0.499 -1.677) 1.819 15.248 ( 0.082 0.082 -1.475) 1.479 18.717 ( 0.802 0.802 -1.129) 1.601 18.791 ( -0.735 -0.735 -1.261) 1.634 18.823 ( 0.099 0.099 -1.100) 1.108 18.834 ( -0.275 -0.275 -0.840) 0.926 18.856 ( -0.150 -0.150 1.261) 1.278 18.874 ( -0.211 -0.211 1.419) 1.450 18.899 ( 0.286 0.286 0.848) 0.940 18.901 ( 0.322 0.322 0.068) 0.460 19.501 ( -0.030 -0.030 1.112) 1.113 19.510 ( 0.240 0.240 1.125) 1.175 19.513 ( 0.012 0.012 0.808) 0.808 19.551 ( -0.430 -0.430 0.704) 0.930 20.438 ( 0.173 0.173 12.173) 12.176 20.448 ( 0.299 0.299 12.299) 12.306 20.639 ( 0.526 0.526 11.622) 11.646 20.822 ( -7.388 -7.388 21.578) 23.974 22.140 ( 0.686 0.686 -1.387) 1.693 22.220 ( -0.283 -0.283 -3.516) 3.538 22.427 ( 2.598 2.598 -5.968) 7.008 22.589 ( -1.174 -1.174 -3.818) 4.164 22.592 ( 0.392 0.392 -0.159) 0.577 22.633 ( -0.491 -0.491 0.045) 0.696 22.657 ( 0.073 0.073 0.336) 0.351 22.664 ( 0.066 0.066 0.314) 0.327 23.421 ( 0.093 0.093 -0.515) 0.532 23.436 ( 0.559 0.559 -1.044) 1.309 23.533 ( 2.169 2.169 -3.613) 4.739 23.798 ( -3.093 -3.093 -4.845) 6.527 24.813 ( 0.044 0.044 0.048) 0.078 24.837 ( -0.025 -0.025 -0.555) 0.556 24.845 ( 0.418 0.418 0.060) 0.595 24.864 ( 0.015 0.015 -0.057) 0.061 25.310 ( 1.115 1.115 0.073) 1.579 25.393 ( -0.297 -0.297 -0.773) 0.880 25.579 ( 1.891 1.891 -6.390) 6.927 25.650 ( -0.690 -0.690 -2.692) 2.863 27.538 ( -0.039 -0.039 1.808) 1.809 27.538 ( 0.002 0.002 1.728) 1.728 27.606 ( 0.098 0.098 2.265) 2.269 27.618 ( -0.230 -0.230 2.147) 2.172 28.437 ( -0.029 -0.029 -1.278) 1.278 28.439 ( 0.019 0.019 -1.286) 1.287 28.525 ( 0.596 0.596 -1.367) 1.606 28.579 ( -0.540 -0.540 -1.392) 1.588 43.069 ( 1.751 1.751 0.531) 2.533 43.219 ( 0.849 0.849 3.478) 3.679 44.251 ( 15.319 15.319 -35.117) 41.262 45.210 ( -12.218 -12.218 -9.363) 19.653 52.135 ( 2.065 2.065 -3.848) 4.830 52.198 ( 4.408 4.408 -0.175) 6.237 52.240 ( 0.352 0.352 -4.127) 4.157 52.363 ( 1.603 1.603 -0.436) 2.308 53.813 ( 0.009 0.009 5.141) 5.142 53.816 ( -0.013 -0.013 5.467) 5.467 54.151 ( 0.181 0.181 -5.260) 5.266 54.179 ( 0.068 0.068 -3.373) 3.374 54.436 ( 2.568 2.568 -0.469) 3.662 54.519 ( -0.729 -0.729 3.671) 3.813 54.919 ( -0.839 -0.839 5.179) 5.314 55.230 ( -4.727 -4.727 -3.422) 7.510 57.067 ( 1.051 1.051 -3.709) 3.996 57.113 ( 1.018 1.018 -5.331) 5.522 57.119 ( 1.156 1.156 -4.208) 4.514 57.250 ( -0.715 -0.715 -5.397) 5.490 59.607 ( 0.156 0.156 11.993) 11.996 59.621 ( 0.211 0.211 12.783) 12.786 59.622 ( 0.277 0.277 13.617) 13.623 59.763 ( -4.729 -4.729 20.196) 21.274 62.167 ( 0.064 0.064 -0.859) 0.864 62.177 ( 0.094 0.094 -1.608) 1.614 62.183 ( 0.077 0.077 -2.272) 2.275 62.197 ( -0.078 -0.078 -2.566) 2.568 ======================= Grid point 32 (11/36) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 15.265 9.297 15.603) 23.726 1.408 ( 14.657 17.257 10.886) 25.122 1.677 ( -8.406 13.639 9.362) 18.556 1.710 ( -10.678 6.245 12.409) 17.521 2.074 ( 5.544 -0.796 7.065) 9.016 2.106 ( 1.293 -2.513 7.126) 7.666 2.278 ( 17.884 7.389 11.179) 22.348 2.444 ( 4.351 -10.156 3.888) 11.713 2.474 ( 4.916 -3.971 1.059) 6.407 2.571 ( -4.128 -9.745 2.978) 10.994 2.622 ( 1.950 2.564 1.729) 3.656 2.638 ( 1.417 -0.801 2.210) 2.745 3.032 ( -11.404 5.277 0.750) 12.588 3.097 ( -16.346 -0.066 0.406) 16.351 3.327 ( 6.265 2.616 -4.510) 8.151 3.451 ( -4.472 -1.926 -6.355) 8.006 3.536 ( 4.815 3.225 -1.171) 5.913 3.612 ( 2.903 4.985 3.653) 6.828 3.697 ( -4.252 1.311 -0.325) 4.461 3.740 ( -5.350 2.328 -0.010) 5.835 3.839 ( 2.072 -4.940 5.561) 7.721 3.921 ( -4.318 -6.990 1.216) 8.305 4.018 ( 5.648 -5.985 0.954) 8.284 4.091 ( -2.238 -6.564 1.903) 7.192 4.143 ( 6.620 -1.169 2.849) 7.301 4.309 ( -6.351 4.279 -0.385) 7.668 4.489 ( 2.547 2.034 -2.096) 3.876 4.518 ( -1.203 4.691 -5.197) 7.103 4.659 ( -0.738 -5.911 1.937) 6.264 4.709 ( 2.127 0.306 -6.703) 7.039 4.749 ( -4.157 -3.636 -1.915) 5.845 4.776 ( -0.438 -0.532 -8.519) 8.547 4.926 ( 0.959 -5.017 -1.421) 5.302 4.959 ( -2.720 -6.319 -2.606) 7.357 5.086 ( 5.302 -1.174 2.587) 6.015 5.226 ( -6.576 -2.348 4.906) 8.534 5.475 ( -1.398 1.992 -3.587) 4.335 5.502 ( -3.770 3.522 -1.414) 5.349 5.664 ( 6.144 -0.509 -0.349) 6.175 5.798 ( -1.571 -4.088 -3.586) 5.660 5.842 ( -2.790 0.162 -0.373) 2.820 5.864 ( -3.882 2.519 -2.062) 5.066 6.248 ( 9.555 -1.584 2.049) 9.900 6.442 ( -8.099 -1.888 2.408) 8.658 7.203 ( 6.866 3.123 -8.179) 11.126 7.276 ( 1.629 4.671 -8.837) 10.127 7.505 ( 6.066 3.599 -13.758) 15.461 7.632 ( -5.211 0.971 -7.895) 9.510 10.520 ( 3.163 1.775 7.032) 7.912 10.589 ( -3.132 1.422 6.762) 7.587 10.722 ( 3.195 -1.430 6.181) 7.103 10.793 ( -3.236 -1.825 5.658) 6.769 11.775 ( 0.803 0.676 7.002) 7.080 11.792 ( -0.689 0.789 6.552) 6.636 11.878 ( 3.192 -0.413 7.554) 8.211 11.963 ( -4.814 -2.114 9.980) 11.281 15.067 ( 2.213 0.504 -1.498) 2.719 15.116 ( -2.241 -0.491 -1.520) 2.752 15.233 ( 0.647 0.203 -1.620) 1.756 15.245 ( -0.390 0.003 -1.539) 1.588 18.741 ( 1.331 0.497 -1.112) 1.804 18.770 ( -1.286 -0.101 -1.147) 1.727 18.822 ( 0.090 0.133 -0.990) 1.003 18.827 ( -0.327 -0.130 -0.971) 1.033 18.860 ( 0.331 -0.559 1.380) 1.526 18.868 ( -0.369 -0.364 1.407) 1.500 18.904 ( 0.149 0.116 0.674) 0.700 18.905 ( 0.037 0.025 0.425) 0.427 19.502 ( 0.135 0.116 1.072) 1.087 19.507 ( -0.250 0.309 1.017) 1.092 19.524 ( 0.681 -0.258 0.873) 1.137 19.539 ( -0.690 -0.349 0.774) 1.094 20.444 ( 0.357 -0.038 12.465) 12.470 20.450 ( -0.120 0.006 12.610) 12.611 20.658 ( 1.433 0.078 12.401) 12.484 20.708 ( -3.480 -1.430 15.258) 15.715 22.164 ( 1.455 1.097 -2.250) 2.896 22.197 ( -1.544 0.988 -3.092) 3.594 22.492 ( 3.144 0.005 -4.564) 5.542 22.551 ( -2.354 -0.841 -4.020) 4.734 22.604 ( 0.682 0.231 -0.108) 0.728 22.620 ( -0.736 -0.058 -0.031) 0.739 22.660 ( 0.187 -0.096 0.364) 0.420 22.664 ( -0.117 -0.105 0.352) 0.385 23.426 ( 0.378 0.786 -0.658) 1.093 23.435 ( -0.381 1.329 -0.892) 1.645 23.608 ( 4.512 -1.049 -3.585) 5.858 23.711 ( -4.793 -2.428 -4.191) 6.814 24.818 ( 0.406 0.192 -0.062) 0.453 24.828 ( -0.513 0.385 -0.220) 0.678 24.857 ( 0.430 -0.096 -0.053) 0.443 24.863 ( -0.147 -0.063 -0.061) 0.171 25.341 ( 1.640 1.051 -0.232) 1.962 25.374 ( -1.353 0.683 -0.570) 1.619 25.611 ( 1.137 -0.607 -4.144) 4.340 25.632 ( -0.928 -0.895 -3.029) 3.292 27.537 ( 0.013 0.017 1.785) 1.785 27.538 ( -0.037 0.027 1.751) 1.752 27.609 ( 0.180 -0.023 2.217) 2.225 27.614 ( -0.211 -0.100 2.186) 2.199 28.438 ( 0.052 0.058 -1.298) 1.300 28.439 ( -0.052 0.084 -1.299) 1.303 28.542 ( 0.958 0.197 -1.405) 1.712 28.563 ( -0.933 -0.221 -1.403) 1.699 43.128 ( 3.413 2.684 1.321) 4.539 43.196 ( -2.539 3.447 2.172) 4.801 44.568 ( 14.636 -6.842 -19.031) 24.964 44.894 ( -15.892 -12.271 -11.321) 23.050 52.180 ( 2.269 3.828 -4.776) 6.528 52.224 ( -1.534 3.328 -5.202) 6.364 52.312 ( 4.629 3.185 -0.382) 5.632 52.373 ( -1.030 2.859 -0.354) 3.060 53.814 ( 0.068 -0.042 5.268) 5.269 53.816 ( -0.067 -0.060 5.448) 5.448 54.160 ( 0.582 0.739 -4.819) 4.910 54.173 ( -0.549 0.834 -3.874) 4.001 54.477 ( 1.277 -0.929 2.297) 2.788 54.499 ( -0.999 -1.130 4.022) 4.296 54.967 ( 4.977 0.404 0.319) 5.003 55.100 ( -6.827 -2.256 -2.191) 7.516 57.088 ( 0.888 2.049 -4.162) 4.723 57.104 ( -0.667 2.442 -4.535) 5.193 57.177 ( 2.769 -0.429 -5.247) 5.948 57.225 ( -1.660 -0.547 -5.559) 5.828 59.612 ( 0.250 0.263 12.219) 12.225 59.617 ( -0.243 0.433 12.619) 12.629 59.643 ( 1.391 -0.412 14.506) 14.578 59.684 ( -2.661 -1.275 16.849) 17.106 62.170 ( 0.169 0.216 -1.317) 1.346 62.174 ( -0.216 0.327 -1.632) 1.678 62.188 ( 0.325 -0.202 -2.176) 2.209 62.194 ( -0.210 -0.141 -2.312) 2.326 ======================= Grid point 37 (12/36) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 7.750 7.750 17.433) 20.592 1.651 ( -3.880 -3.880 16.034) 16.947 1.817 ( 16.002 16.002 5.234) 23.228 2.026 ( 1.531 1.531 7.200) 7.519 2.061 ( -1.819 -1.819 7.931) 8.337 2.087 ( 0.960 0.960 4.727) 4.918 2.188 ( -3.020 -3.020 4.750) 6.387 2.345 ( -9.220 -9.220 3.051) 13.392 2.502 ( 5.840 5.840 -1.787) 8.451 2.509 ( 7.794 7.794 -1.962) 11.196 2.683 ( 5.224 5.224 3.597) 8.217 2.734 ( 9.051 9.051 7.998) 15.094 2.963 ( -7.631 -7.631 0.889) 10.829 3.090 ( -8.155 -8.155 1.568) 11.639 3.315 ( -0.909 -0.909 -4.917) 5.082 3.363 ( -4.042 -4.042 -7.690) 9.582 3.626 ( 4.960 4.960 -2.042) 7.306 3.689 ( 0.125 0.125 10.758) 10.760 3.719 ( -1.304 -1.304 4.535) 4.896 3.724 ( -2.051 -2.051 -2.530) 3.849 3.800 ( -0.482 -0.482 7.907) 7.936 3.821 ( 0.273 0.273 4.207) 4.224 3.900 ( -1.371 -1.371 -0.058) 1.939 3.962 ( -5.356 -5.356 0.059) 7.575 4.208 ( 7.293 7.293 -0.165) 10.315 4.390 ( -4.822 -4.822 -1.061) 6.901 4.451 ( 2.582 2.582 -1.211) 3.847 4.571 ( -1.053 -1.053 -4.064) 4.328 4.629 ( 1.568 1.568 -10.100) 10.340 4.652 ( -3.918 -3.918 -1.006) 5.632 4.757 ( 1.725 1.725 -1.069) 2.664 4.767 ( 0.347 0.347 -4.324) 4.352 4.814 ( -3.374 -3.374 -3.750) 6.069 4.824 ( -3.819 -3.819 -5.993) 8.067 5.069 ( -0.134 -0.134 1.848) 1.857 5.127 ( -5.259 -5.259 3.091) 8.054 5.523 ( 3.146 3.146 -2.614) 5.160 5.584 ( 0.099 0.099 -2.217) 2.221 5.646 ( 1.011 1.011 -0.573) 1.541 5.713 ( -3.498 -3.498 -2.727) 5.649 5.863 ( 3.701 3.701 2.125) 5.649 5.930 ( -0.255 -0.255 5.369) 5.381 6.248 ( 2.987 2.987 -1.243) 4.403 6.359 ( -5.692 -5.692 0.154) 8.051 7.276 ( 3.238 3.238 -8.731) 9.859 7.322 ( -0.529 -0.529 -9.424) 9.454 7.595 ( 3.991 3.991 -9.572) 11.112 7.645 ( -0.504 -0.504 -8.673) 8.703 10.569 ( 2.633 2.633 6.741) 7.701 10.611 ( -0.421 -0.421 6.493) 6.520 10.700 ( 0.429 0.429 6.361) 6.390 10.742 ( -2.670 -2.670 6.015) 7.102 11.794 ( 0.943 0.943 6.771) 6.901 11.806 ( 0.103 0.103 6.497) 6.499 11.877 ( 0.735 0.735 7.908) 7.976 11.913 ( -2.295 -2.295 8.627) 9.217 15.082 ( 0.882 0.882 -1.458) 1.919 15.101 ( -0.829 -0.829 -1.454) 1.868 15.238 ( 0.266 0.266 -1.720) 1.760 15.243 ( -0.166 -0.166 -1.668) 1.685 18.754 ( 0.674 0.674 -1.294) 1.608 18.765 ( -0.356 -0.356 -1.390) 1.478 18.824 ( 0.003 0.003 -0.837) 0.837 18.825 ( -0.091 -0.091 -0.843) 0.853 18.852 ( -0.016 -0.016 1.573) 1.573 18.858 ( -0.448 -0.448 1.494) 1.622 18.905 ( 0.019 0.019 0.664) 0.664 18.906 ( -0.005 -0.005 0.561) 0.561 19.507 ( 0.296 0.296 0.960) 1.047 19.513 ( -0.026 -0.026 0.771) 0.772 19.520 ( 0.149 0.149 1.098) 1.118 19.529 ( -0.531 -0.531 0.894) 1.167 20.445 ( 0.122 0.122 12.586) 12.588 20.448 ( -0.141 -0.141 12.688) 12.689 20.663 ( 0.437 0.437 12.309) 12.325 20.679 ( -1.080 -1.080 13.196) 13.284 22.191 ( 1.277 1.277 -2.994) 3.496 22.208 ( -0.169 -0.169 -3.404) 3.412 22.501 ( 0.924 0.924 -3.874) 4.088 22.527 ( -1.348 -1.348 -3.777) 4.231 22.610 ( 0.346 0.346 -0.105) 0.500 22.617 ( -0.220 -0.220 -0.079) 0.320 22.659 ( 0.011 0.011 0.368) 0.368 22.661 ( -0.149 -0.149 0.352) 0.410 23.447 ( 1.043 1.043 -0.916) 1.736 23.458 ( 0.358 0.358 -1.093) 1.204 23.601 ( 0.918 0.918 -3.064) 3.327 23.648 ( -3.047 -3.047 -3.434) 5.510 24.825 ( 0.373 0.373 -0.130) 0.544 24.831 ( -0.135 -0.135 -0.225) 0.295 24.857 ( 0.128 0.128 -0.020) 0.183 24.860 ( -0.156 -0.156 -0.049) 0.226 25.366 ( 1.130 1.130 -0.461) 1.664 25.382 ( -0.176 -0.176 -0.604) 0.653 25.602 ( -0.027 -0.027 -3.268) 3.269 25.612 ( -0.841 -0.841 -2.909) 3.143 27.538 ( 0.037 0.037 1.739) 1.740 27.538 ( 0.001 0.001 1.717) 1.717 27.609 ( 0.038 0.038 2.210) 2.210 27.611 ( -0.115 -0.115 2.204) 2.210 28.439 ( 0.082 0.082 -1.315) 1.321 28.440 ( 0.016 0.016 -1.315) 1.315 28.548 ( 0.349 0.349 -1.419) 1.502 28.556 ( -0.387 -0.387 -1.419) 1.520 43.204 ( 3.695 3.695 1.147) 5.350 43.247 ( 0.366 0.366 1.277) 1.378 44.480 ( 0.572 0.572 -11.098) 11.128 44.617 ( -11.439 -11.439 -8.925) 18.475 52.249 ( 2.308 2.308 -8.010) 8.650 52.269 ( 0.591 0.591 -8.286) 8.328 52.391 ( 3.244 3.244 1.051) 4.706 52.420 ( 0.723 0.723 0.907) 1.367 53.813 ( 0.008 0.008 5.171) 5.171 53.814 ( -0.054 -0.054 5.279) 5.280 54.178 ( 0.783 0.783 -4.114) 4.261 54.186 ( 0.173 0.173 -3.578) 3.586 54.462 ( -0.186 -0.186 1.351) 1.376 54.473 ( -1.090 -1.090 2.630) 3.048 54.990 ( 1.860 1.860 0.691) 2.719 55.042 ( -2.845 -2.845 -0.288) 4.034 57.131 ( 1.796 1.796 -5.065) 5.667 57.157 ( 0.746 0.746 -6.522) 6.607 57.166 ( 0.757 0.757 -3.910) 4.054 57.205 ( -1.433 -1.433 -5.411) 5.778 59.620 ( 0.467 0.467 12.618) 12.635 59.629 ( 0.113 0.113 12.586) 12.587 59.634 ( 0.210 0.210 14.597) 14.600 59.655 ( -1.290 -1.290 15.236) 15.345 62.176 ( 0.306 0.306 -1.568) 1.626 62.181 ( 0.067 0.067 -1.473) 1.476 62.184 ( 0.008 0.008 -2.332) 2.332 62.190 ( -0.278 -0.278 -2.161) 2.196 ======================= Grid point 50 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -0.000 -0.000 26.934) 26.934 0.998 ( 0.000 0.000 26.934) 26.934 1.437 ( 0.000 0.000 17.386) 17.386 1.810 ( -0.000 -0.000 41.249) 41.249 2.244 ( 0.000 0.000 -0.860) 0.860 2.408 ( 0.000 0.000 14.809) 14.809 2.408 ( -0.000 -0.000 14.809) 14.809 2.614 ( -0.000 0.000 -7.475) 7.475 2.709 ( 0.000 0.000 4.188) 4.188 2.709 ( 0.000 0.000 4.188) 4.188 2.724 ( 0.000 0.000 2.873) 2.873 2.937 ( -0.000 0.000 1.295) 1.295 2.937 ( 0.000 0.000 1.295) 1.295 3.064 ( 0.000 0.000 7.794) 7.794 3.357 ( 0.000 0.000 4.220) 4.220 3.450 ( 0.000 -0.000 -0.721) 0.721 3.572 ( 0.000 -0.000 -0.032) 0.032 3.572 ( -0.000 0.000 -0.032) 0.032 3.714 ( 0.000 0.000 1.404) 1.404 3.897 ( -0.000 -0.000 3.867) 3.867 3.899 ( 0.000 0.000 -8.676) 8.676 3.899 ( 0.000 0.000 -8.676) 8.676 4.121 ( 0.000 0.000 -4.898) 4.898 4.137 ( 0.000 0.000 7.860) 7.860 4.150 ( 0.000 0.000 -9.476) 9.476 4.150 ( 0.000 0.000 -9.476) 9.476 4.375 ( 0.000 0.000 -4.109) 4.109 4.375 ( 0.000 0.000 -4.109) 4.109 4.766 ( 0.000 0.000 -0.555) 0.555 4.766 ( 0.000 0.000 -0.555) 0.555 4.852 ( 0.000 0.000 0.707) 0.707 4.878 ( 0.000 0.000 -7.297) 7.297 4.892 ( 0.000 0.000 -1.700) 1.700 5.009 ( 0.000 0.000 -5.230) 5.230 5.151 ( -0.000 0.000 -4.932) 4.932 5.440 ( 0.000 0.000 -10.207) 10.207 5.506 ( 0.000 0.000 -12.434) 12.434 5.574 ( 0.000 0.000 -5.453) 5.453 5.574 ( -0.000 0.000 -5.453) 5.453 5.679 ( -0.000 0.000 -10.733) 10.733 5.840 ( 0.000 0.000 0.933) 0.933 6.092 ( 0.000 0.000 6.952) 6.952 6.092 ( -0.000 -0.000 6.952) 6.952 6.423 ( 0.000 0.000 0.187) 0.187 6.736 ( 0.000 0.000 -7.148) 7.148 6.736 ( 0.000 0.000 -7.148) 7.148 6.775 ( 0.000 0.000 6.989) 6.989 7.662 ( -0.000 -0.000 -7.829) 7.829 10.615 ( 0.000 0.000 11.935) 11.935 10.824 ( 0.000 0.000 10.283) 10.283 10.824 ( 0.000 0.000 10.283) 10.283 11.018 ( -0.000 -0.000 7.205) 7.205 11.940 ( -0.000 -0.000 11.012) 11.012 11.940 ( 0.000 0.000 8.249) 8.249 11.940 ( -0.000 -0.000 8.249) 8.249 12.499 ( 0.000 0.000 0.636) 0.636 14.964 ( 0.000 0.000 -1.711) 1.711 15.165 ( -0.000 0.000 -2.434) 2.434 15.165 ( 0.000 0.000 -2.434) 2.434 15.194 ( 0.000 0.000 -2.863) 2.863 18.674 ( 0.000 0.000 -1.175) 1.175 18.781 ( 0.000 0.000 -1.729) 1.729 18.781 ( 0.000 0.000 -1.729) 1.729 18.819 ( -0.000 -0.000 -1.511) 1.511 18.890 ( 0.000 0.000 1.802) 1.802 18.912 ( 0.000 0.000 1.329) 1.329 18.913 ( 0.000 0.000 1.888) 1.888 18.913 ( 0.000 0.000 1.888) 1.888 19.528 ( -0.000 -0.000 1.202) 1.202 19.528 ( 0.000 0.000 1.202) 1.202 19.531 ( 0.000 0.000 1.121) 1.121 19.575 ( 0.000 0.000 0.705) 0.705 20.752 ( -0.000 -0.000 19.710) 19.710 20.752 ( 0.000 0.000 19.710) 19.710 20.930 ( 0.000 0.000 18.900) 18.900 21.581 ( 0.000 0.000 7.560) 7.560 22.118 ( 0.000 0.000 -0.644) 0.644 22.132 ( 0.000 0.000 -5.830) 5.830 22.132 ( 0.000 0.000 -5.830) 5.830 22.512 ( 0.000 0.000 -6.870) 6.870 22.580 ( 0.000 0.000 -0.113) 0.113 22.655 ( 0.000 0.000 -0.005) 0.005 22.658 ( 0.000 0.000 0.155) 0.155 22.658 ( -0.000 -0.000 0.155) 0.155 23.397 ( -0.000 -0.000 -1.410) 1.410 23.397 ( -0.000 0.000 -1.410) 1.410 23.423 ( 0.000 0.000 -0.186) 0.186 23.740 ( -0.000 0.000 -7.256) 7.256 24.818 ( 0.000 0.000 -0.174) 0.174 24.818 ( 0.000 0.000 -0.174) 0.174 24.835 ( 0.000 0.000 0.502) 0.502 24.862 ( -0.000 0.000 -0.066) 0.066 25.295 ( 0.000 0.000 0.686) 0.686 25.378 ( 0.000 0.000 -1.393) 1.393 25.378 ( 0.000 0.000 -1.393) 1.393 25.598 ( -0.000 -0.000 -4.050) 4.050 27.583 ( 0.000 0.000 2.683) 2.683 27.583 ( -0.000 0.000 2.683) 2.683 27.659 ( 0.000 0.000 3.096) 3.096 27.662 ( 0.000 0.000 1.870) 1.870 28.404 ( -0.000 0.000 -2.194) 2.194 28.404 ( 0.000 0.000 -2.194) 2.194 28.479 ( 0.000 0.000 -1.911) 1.911 28.555 ( -0.000 -0.000 -2.399) 2.399 43.010 ( -0.000 0.000 -1.881) 1.881 43.010 ( -0.000 0.000 -1.881) 1.881 43.356 ( -0.000 0.000 10.715) 10.715 45.255 ( 0.000 0.000 -14.435) 14.435 52.067 ( -0.000 -0.000 -1.514) 1.514 52.067 ( -0.000 -0.000 -1.514) 1.514 52.235 ( -0.000 0.000 -0.724) 0.724 52.310 ( 0.000 0.000 -1.372) 1.372 53.939 ( -0.000 -0.000 6.812) 6.812 53.939 ( 0.000 0.000 6.812) 6.812 54.099 ( -0.000 0.000 -4.044) 4.044 54.099 ( 0.000 0.000 -4.044) 4.044 54.250 ( 0.000 0.000 -0.459) 0.459 54.573 ( -0.000 -0.000 0.875) 0.875 55.115 ( 0.000 0.000 1.533) 1.533 55.259 ( -0.000 -0.000 -4.047) 4.047 56.980 ( 0.000 0.000 -5.864) 5.864 56.980 ( 0.000 0.000 -5.864) 5.864 56.986 ( 0.000 0.000 -3.393) 3.393 57.151 ( 0.000 0.000 -6.801) 6.801 59.916 ( 0.000 0.000 19.408) 19.408 59.950 ( 0.000 0.000 20.237) 20.237 59.950 ( 0.000 0.000 20.237) 20.237 60.293 ( 0.000 -0.000 13.513) 13.513 62.117 ( 0.000 -0.000 -5.444) 5.444 62.122 ( -0.000 0.000 -3.851) 3.851 62.122 ( 0.000 0.000 -3.851) 3.851 62.154 ( -0.000 0.000 -1.848) 1.848 ======================= Grid point 51 (14/36) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 11.202 0.000 23.709) 26.222 1.305 ( 21.840 0.000 20.059) 29.654 1.595 ( 10.461 0.000 15.394) 18.612 1.939 ( 13.192 0.000 32.912) 35.457 2.179 ( -5.935 0.000 3.900) 7.102 2.328 ( -5.050 0.000 8.931) 10.260 2.433 ( 1.491 0.000 15.952) 16.021 2.567 ( -2.285 0.000 -0.585) 2.359 2.589 ( -5.570 0.000 5.123) 7.567 2.661 ( -4.233 0.000 1.675) 4.553 2.780 ( 1.262 0.000 6.154) 6.282 2.951 ( 2.900 0.000 -2.601) 3.895 2.961 ( -6.568 0.000 6.975) 9.581 3.044 ( 6.393 0.000 0.198) 6.396 3.346 ( -3.489 0.000 1.250) 3.706 3.488 ( 3.102 0.000 -0.437) 3.133 3.559 ( -0.807 0.000 1.922) 2.085 3.599 ( -9.968 0.000 -0.726) 9.994 3.683 ( 4.782 0.000 -0.655) 4.826 3.792 ( -7.780 0.000 1.354) 7.897 3.872 ( 0.949 0.000 -7.545) 7.604 3.932 ( 1.681 0.000 -5.280) 5.541 4.080 ( -2.142 0.000 3.678) 4.256 4.087 ( -2.600 0.000 -6.256) 6.775 4.213 ( 3.459 0.000 -4.689) 5.827 4.233 ( 4.528 0.000 -3.860) 5.951 4.365 ( -0.574 0.000 -5.655) 5.684 4.393 ( 1.559 0.000 -3.981) 4.275 4.639 ( -7.193 0.000 -2.956) 7.776 4.673 ( -5.016 0.000 -2.859) 5.774 4.844 ( -2.532 0.000 -1.372) 2.880 4.921 ( 2.747 0.000 -2.558) 3.754 4.921 ( -7.385 0.000 -3.735) 8.276 4.945 ( 5.199 0.000 2.198) 5.645 5.190 ( -5.342 0.000 3.145) 6.199 5.215 ( 4.577 0.000 -3.175) 5.570 5.438 ( -5.202 0.000 -10.815) 12.001 5.574 ( -0.213 0.000 -4.090) 4.095 5.606 ( -7.589 0.000 -8.745) 11.578 5.740 ( -1.102 0.000 -9.517) 9.581 5.755 ( -4.340 0.000 -1.994) 4.777 6.027 ( -4.106 0.000 7.464) 8.519 6.197 ( 7.818 0.000 7.127) 10.579 6.654 ( 14.310 0.000 -14.098) 20.088 6.722 ( -2.123 0.000 5.191) 5.608 6.826 ( 6.782 0.000 -8.969) 11.244 6.914 ( 12.983 0.000 -7.541) 15.014 7.611 ( -4.786 0.000 -8.152) 9.453 10.634 ( 1.763 0.000 11.768) 11.900 10.804 ( -1.842 0.000 10.418) 10.580 10.844 ( 1.768 0.000 10.020) 10.174 11.001 ( -1.600 0.000 7.534) 7.702 11.940 ( 0.103 0.000 10.738) 10.738 11.942 ( 0.132 0.000 8.522) 8.523 11.970 ( 2.618 0.000 8.462) 8.857 12.379 ( -9.070 0.000 5.540) 10.628 14.979 ( 1.467 0.000 -1.880) 2.384 15.134 ( -2.251 0.000 -2.570) 3.417 15.173 ( 0.667 0.000 -2.530) 2.616 15.204 ( 0.377 0.000 -2.712) 2.739 18.684 ( 0.913 0.000 -1.206) 1.512 18.773 ( -0.813 0.000 -1.766) 1.944 18.784 ( 0.293 0.000 -1.666) 1.692 18.815 ( -0.366 0.000 -1.453) 1.498 18.890 ( 0.142 0.000 1.704) 1.710 18.907 ( -0.248 0.000 1.683) 1.701 18.918 ( 0.316 0.000 1.600) 1.631 18.919 ( 0.258 0.000 1.473) 1.495 19.527 ( -0.077 0.000 1.210) 1.213 19.528 ( -0.076 0.000 1.222) 1.224 19.534 ( 0.347 0.000 1.056) 1.112 19.571 ( -0.418 0.000 0.732) 0.843 20.758 ( 0.537 0.000 19.781) 19.789 20.760 ( 0.608 0.000 19.629) 19.638 20.939 ( 0.998 0.000 18.975) 19.002 21.352 ( -14.538 0.000 16.720) 22.157 22.109 ( -0.612 0.000 -1.491) 1.612 22.125 ( -0.594 0.000 -5.469) 5.502 22.242 ( 6.622 0.000 -7.985) 10.374 22.496 ( -1.525 0.000 -6.946) 7.112 22.585 ( 0.475 0.000 -0.112) 0.488 22.640 ( -0.894 0.000 -0.022) 0.895 22.662 ( 0.278 0.000 0.209) 0.348 22.668 ( 0.352 0.000 0.176) 0.394 23.398 ( 0.074 0.000 -1.305) 1.307 23.407 ( 0.016 0.000 -1.057) 1.057 23.453 ( 3.167 0.000 -2.114) 3.808 23.710 ( -2.690 0.000 -6.826) 7.337 24.818 ( -0.052 0.000 -0.151) 0.160 24.819 ( -0.017 0.000 -0.148) 0.149 24.845 ( 0.663 0.000 0.111) 0.673 24.862 ( 0.039 0.000 -0.085) 0.093 25.304 ( 0.804 0.000 0.472) 0.932 25.371 ( -0.623 0.000 -1.211) 1.361 25.440 ( 4.397 0.000 -3.991) 5.938 25.590 ( -0.787 0.000 -4.134) 4.208 27.582 ( -0.025 0.000 2.686) 2.686 27.583 ( 0.015 0.000 2.669) 2.669 27.660 ( 0.102 0.000 3.065) 3.066 27.663 ( 0.080 0.000 2.184) 2.186 28.404 ( -0.042 0.000 -2.195) 2.195 28.404 ( -0.046 0.000 -2.177) 2.178 28.485 ( 0.567 0.000 -1.994) 2.073 28.547 ( -0.673 0.000 -2.388) 2.481 43.044 ( 3.089 0.000 -0.822) 3.197 43.299 ( 0.703 0.000 5.084) 5.132 43.492 ( 30.594 0.000 -12.666) 33.113 45.107 ( -13.258 0.000 -15.050) 20.057 52.067 ( 0.184 0.000 -1.826) 1.835 52.104 ( 2.563 0.000 -2.740) 3.752 52.227 ( -0.208 0.000 -0.092) 0.228 52.311 ( 0.066 0.000 -1.137) 1.138 53.941 ( 0.156 0.000 6.819) 6.821 53.943 ( 0.294 0.000 6.628) 6.635 54.071 ( -1.283 0.000 -3.248) 3.493 54.091 ( -0.699 0.000 -4.036) 4.096 54.353 ( 7.407 0.000 -2.551) 7.834 54.574 ( -0.053 0.000 0.941) 0.943 55.052 ( -4.410 0.000 3.926) 5.904 55.203 ( -4.915 0.000 -3.319) 5.931 56.978 ( 0.029 0.000 -4.473) 4.473 56.981 ( 0.067 0.000 -5.682) 5.682 57.013 ( 2.085 0.000 -5.262) 5.660 57.138 ( -1.070 0.000 -6.600) 6.686 59.916 ( 0.073 0.000 19.272) 19.272 59.944 ( -0.502 0.000 20.021) 20.027 59.966 ( 1.456 0.000 20.567) 20.618 60.211 ( -6.081 0.000 17.786) 18.796 62.112 ( -0.188 0.000 -5.025) 5.029 62.123 ( 0.016 0.000 -4.178) 4.178 62.129 ( 0.386 0.000 -4.039) 4.058 62.145 ( -0.600 0.000 -2.026) 2.113 ======================= Grid point 52 (15/36) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 13.833 0.000 18.253) 22.902 1.647 ( -4.536 0.000 16.228) 16.850 1.723 ( 13.807 0.000 16.811) 21.754 1.996 ( -10.938 0.000 13.693) 17.525 2.258 ( 6.404 0.000 10.800) 12.555 2.270 ( -0.088 0.000 5.377) 5.378 2.495 ( 6.996 0.000 12.357) 14.200 2.534 ( -0.737 0.000 1.185) 1.395 2.592 ( 4.729 0.000 0.748) 4.788 2.709 ( 13.595 0.000 11.468) 17.786 2.741 ( -3.603 0.000 7.418) 8.246 2.859 ( 0.239 0.000 5.680) 5.685 2.979 ( -5.133 0.000 3.356) 6.132 3.114 ( -17.896 0.000 1.366) 17.948 3.197 ( 7.176 0.000 -1.867) 7.415 3.352 ( -8.574 0.000 -3.546) 9.279 3.506 ( -1.884 0.000 -5.235) 5.564 3.518 ( -5.008 0.000 3.063) 5.871 3.692 ( 0.398 0.000 -2.163) 2.199 3.700 ( 0.090 0.000 0.676) 0.682 3.931 ( 0.160 0.000 -5.372) 5.374 3.936 ( -0.793 0.000 -1.563) 1.752 4.080 ( 1.760 0.000 -1.978) 2.648 4.086 ( 2.740 0.000 -3.374) 4.346 4.268 ( 3.524 0.000 2.046) 4.075 4.325 ( 3.628 0.000 -3.404) 4.975 4.368 ( 0.379 0.000 -7.926) 7.935 4.390 ( -3.680 0.000 -0.752) 3.756 4.566 ( -0.873 0.000 -5.800) 5.866 4.589 ( -2.738 0.000 -6.431) 6.990 4.774 ( -3.543 0.000 -1.183) 3.735 4.784 ( -2.649 0.000 1.529) 3.059 5.005 ( 4.262 0.000 -1.288) 4.452 5.036 ( 2.174 0.000 2.424) 3.256 5.174 ( 2.858 0.000 1.185) 3.094 5.273 ( -0.813 0.000 0.605) 1.014 5.314 ( -4.082 0.000 -7.844) 8.843 5.405 ( -8.682 0.000 -4.844) 9.942 5.608 ( 4.184 0.000 -5.423) 6.850 5.689 ( -2.908 0.000 -8.792) 9.261 5.744 ( 3.401 0.000 -2.426) 4.177 5.885 ( -8.311 0.000 4.551) 9.476 6.383 ( 9.169 0.000 7.077) 11.582 6.571 ( -8.077 0.000 7.002) 10.690 6.929 ( 6.322 0.000 -17.928) 19.010 6.950 ( 3.457 0.000 -12.988) 13.440 7.208 ( 13.485 0.000 -9.193) 16.320 7.458 ( -9.565 0.000 -8.963) 13.108 10.686 ( 2.923 0.000 11.338) 11.709 10.751 ( -2.986 0.000 10.818) 11.223 10.894 ( 2.766 0.000 9.302) 9.704 10.954 ( -2.656 0.000 8.354) 8.766 11.943 ( 0.127 0.000 10.138) 10.139 11.944 ( 0.016 0.000 9.256) 9.256 12.052 ( 5.132 0.000 8.859) 10.238 12.190 ( -7.866 0.000 8.866) 11.853 15.023 ( 2.479 0.000 -2.252) 3.349 15.080 ( -2.720 0.000 -2.518) 3.707 15.190 ( 0.799 0.000 -2.599) 2.719 15.204 ( -0.418 0.000 -2.648) 2.680 18.711 ( 1.556 0.000 -1.304) 2.030 18.746 ( -1.615 0.000 -1.510) 2.212 18.793 ( 0.519 0.000 -1.522) 1.608 18.805 ( -0.559 0.000 -1.418) 1.524 18.896 ( 0.300 0.000 1.556) 1.585 18.902 ( -0.251 0.000 1.648) 1.667 18.923 ( 0.120 0.000 1.342) 1.347 18.923 ( 0.119 0.000 1.352) 1.358 19.526 ( -0.049 0.000 1.227) 1.228 19.526 ( -0.049 0.000 1.227) 1.228 19.545 ( 0.612 0.000 0.938) 1.120 19.559 ( -0.652 0.000 0.815) 1.043 20.770 ( 0.420 0.000 19.825) 19.829 20.771 ( 0.331 0.000 19.662) 19.664 20.982 ( 3.401 0.000 19.466) 19.761 21.103 ( -8.392 0.000 20.166) 21.842 22.102 ( 0.067 0.000 -3.030) 3.031 22.111 ( -0.677 0.000 -4.467) 4.518 22.364 ( 4.787 0.000 -7.775) 9.130 22.447 ( -3.065 0.000 -7.239) 7.861 22.599 ( 0.852 0.000 -0.099) 0.857 22.619 ( -0.996 0.000 -0.074) 0.999 22.668 ( 0.269 0.000 0.276) 0.386 22.671 ( -0.028 0.000 0.257) 0.258 23.400 ( 0.133 0.000 -1.063) 1.071 23.404 ( -0.188 0.000 -0.860) 0.880 23.537 ( 4.441 0.000 -4.181) 6.099 23.633 ( -4.311 0.000 -5.691) 7.139 24.817 ( 0.004 0.000 -0.113) 0.113 24.818 ( -0.081 0.000 -0.097) 0.127 24.857 ( 0.403 0.000 -0.075) 0.410 24.862 ( -0.106 0.000 -0.101) 0.146 25.326 ( 1.216 0.000 -0.073) 1.218 25.352 ( -1.104 0.000 -0.717) 1.316 25.520 ( 2.839 0.000 -4.962) 5.717 25.565 ( -1.545 0.000 -4.477) 4.736 27.582 ( 0.008 0.000 2.689) 2.689 27.583 ( -0.047 0.000 2.681) 2.681 27.663 ( 0.106 0.000 2.945) 2.947 27.664 ( -0.004 0.000 2.664) 2.664 28.403 ( -0.034 0.000 -2.180) 2.180 28.403 ( -0.035 0.000 -2.170) 2.171 28.503 ( 1.092 0.000 -2.211) 2.466 28.528 ( -1.099 0.000 -2.340) 2.586 43.131 ( 4.775 0.000 2.002) 5.177 43.233 ( -4.445 0.000 5.502) 7.073 44.181 ( 29.409 0.000 -21.837) 36.630 44.725 ( -21.911 0.000 -17.807) 28.234 52.083 ( 1.416 0.000 -2.587) 2.949 52.118 ( -1.319 0.000 -3.500) 3.740 52.259 ( 2.797 0.000 -0.223) 2.806 52.304 ( -1.072 0.000 -1.069) 1.514 53.945 ( 0.187 0.000 6.799) 6.802 53.947 ( 0.015 0.000 6.684) 6.684 54.060 ( 0.203 0.000 -3.598) 3.604 54.073 ( -0.856 0.000 -3.937) 4.029 54.499 ( 5.286 0.000 -2.296) 5.763 54.564 ( -1.200 0.000 0.259) 1.228 54.999 ( 0.544 0.000 3.528) 3.570 55.078 ( -5.913 0.000 -0.779) 5.964 56.980 ( 0.116 0.000 -4.650) 4.652 56.982 ( -0.038 0.000 -5.183) 5.183 57.064 ( 2.389 0.000 -6.085) 6.537 57.108 ( -1.743 0.000 -6.443) 6.674 59.921 ( 0.384 0.000 19.253) 19.256 59.932 ( -0.615 0.000 19.564) 19.574 60.012 ( 2.829 0.000 21.075) 21.264 60.091 ( -4.718 0.000 20.891) 21.417 62.111 ( 0.143 0.000 -4.772) 4.774 62.118 ( -0.420 0.000 -4.423) 4.443 62.135 ( 0.215 0.000 -3.618) 3.625 62.138 ( -0.082 0.000 -2.923) 2.924 ======================= Grid point 56 (16/36) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 13.813 13.813 18.872) 27.162 1.442 ( 13.497 13.497 18.965) 26.907 1.769 ( 12.524 12.524 12.370) 21.604 2.024 ( 8.410 8.410 25.906) 28.506 2.136 ( -3.776 -3.776 6.051) 8.071 2.281 ( -3.290 -3.290 7.178) 8.554 2.456 ( -0.057 -0.057 13.194) 13.195 2.529 ( -3.495 -3.495 11.788) 12.782 2.535 ( -2.584 -2.584 0.913) 3.767 2.626 ( -0.156 -0.156 0.722) 0.755 2.735 ( -2.838 -2.838 8.024) 8.972 2.815 ( -8.034 -8.034 5.673) 12.700 3.004 ( 4.395 4.395 -4.021) 7.402 3.166 ( 6.005 6.005 -0.996) 8.550 3.345 ( -3.720 -3.720 1.366) 5.435 3.468 ( -4.105 -4.105 -3.139) 6.600 3.563 ( -1.431 -1.431 2.706) 3.379 3.576 ( 1.422 1.422 0.783) 2.158 3.772 ( 5.793 5.793 -1.294) 8.295 3.779 ( -3.399 -3.399 -4.281) 6.437 3.838 ( 0.220 0.220 -1.355) 1.390 3.884 ( -2.772 -2.772 -3.462) 5.229 4.017 ( -1.988 -1.988 1.285) 3.092 4.112 ( -1.009 -1.009 -5.037) 5.236 4.181 ( -0.407 -0.407 1.190) 1.322 4.313 ( 3.908 3.908 -4.088) 6.874 4.354 ( -0.396 -0.396 -8.061) 8.081 4.412 ( 0.647 0.647 -2.933) 3.072 4.564 ( -4.058 -4.058 -2.484) 6.253 4.666 ( -1.723 -1.723 -3.800) 4.514 4.717 ( -3.886 -3.886 -4.642) 7.194 4.866 ( -5.666 -5.666 -1.835) 8.220 4.885 ( -1.900 -1.900 -3.049) 4.064 5.036 ( 4.790 4.790 3.335) 7.550 5.040 ( -7.997 -7.997 -0.267) 11.312 5.360 ( 7.543 7.543 2.077) 10.868 5.393 ( -2.606 -2.606 -9.251) 9.959 5.553 ( -1.563 -1.563 -4.961) 5.431 5.587 ( -8.014 -8.014 -0.830) 11.364 5.671 ( 0.696 0.696 -7.626) 7.690 5.767 ( -0.622 -0.622 -7.122) 7.176 6.074 ( -0.568 -0.568 7.208) 7.252 6.169 ( 1.937 1.937 6.354) 6.919 6.661 ( -4.069 -4.069 4.040) 7.031 6.826 ( 10.503 10.503 -18.000) 23.337 6.876 ( 5.026 5.026 -10.004) 12.272 7.048 ( 10.107 10.107 -8.044) 16.402 7.573 ( -3.542 -3.542 -8.459) 9.831 10.653 ( 1.697 1.697 11.591) 11.837 10.807 ( -0.711 -0.711 10.216) 10.266 10.841 ( 0.626 0.626 10.132) 10.170 10.983 ( -1.576 -1.576 7.848) 8.158 11.942 ( 0.194 0.194 10.547) 10.551 11.948 ( 0.336 0.336 8.462) 8.476 11.987 ( 1.825 1.825 8.849) 9.218 12.301 ( -6.266 -6.266 7.621) 11.688 14.992 ( 1.203 1.203 -1.993) 2.620 15.117 ( -1.531 -1.531 -2.551) 3.346 15.177 ( 0.435 0.435 -2.636) 2.707 15.207 ( 0.059 0.059 -2.694) 2.695 18.692 ( 0.780 0.780 -1.248) 1.666 18.762 ( -0.708 -0.708 -1.623) 1.907 18.792 ( 0.326 0.326 -1.767) 1.827 18.812 ( -0.278 -0.278 -1.413) 1.466 18.888 ( -0.068 -0.068 1.825) 1.827 18.905 ( -0.227 -0.227 1.625) 1.656 18.919 ( 0.188 0.188 1.474) 1.498 18.922 ( 0.176 0.176 1.393) 1.415 19.525 ( -0.047 -0.047 1.235) 1.237 19.532 ( -0.013 -0.013 1.025) 1.025 19.534 ( 0.225 0.225 1.187) 1.229 19.567 ( -0.373 -0.373 0.769) 0.933 20.760 ( 0.353 0.353 19.886) 19.892 20.767 ( 0.484 0.484 19.611) 19.623 20.946 ( 0.749 0.749 18.988) 19.017 21.234 ( -8.608 -8.608 19.226) 22.756 22.104 ( -0.262 -0.262 -2.230) 2.260 22.127 ( -0.225 -0.225 -5.762) 5.771 22.289 ( 3.770 3.770 -7.575) 9.263 22.483 ( -1.224 -1.224 -6.904) 7.117 22.589 ( 0.409 0.409 -0.115) 0.589 22.633 ( -0.562 -0.562 -0.060) 0.796 22.663 ( 0.142 0.142 0.260) 0.329 22.670 ( 0.113 0.113 0.215) 0.268 23.406 ( 0.091 0.091 -1.007) 1.015 23.410 ( 0.528 0.528 -1.455) 1.635 23.469 ( 1.827 1.827 -2.571) 3.645 23.683 ( -2.440 -2.440 -6.376) 7.250 24.814 ( 0.008 0.008 0.025) 0.027 24.827 ( 0.111 0.111 -0.473) 0.498 24.847 ( 0.323 0.323 0.141) 0.479 24.862 ( 0.002 0.002 -0.098) 0.098 25.313 ( 0.815 0.815 0.256) 1.181 25.373 ( -0.186 -0.186 -1.227) 1.255 25.469 ( 2.372 2.372 -4.620) 5.710 25.581 ( -0.791 -0.791 -4.152) 4.301 27.583 ( -0.005 -0.005 2.672) 2.672 27.583 ( -0.025 -0.025 2.681) 2.681 27.660 ( 0.037 0.037 2.913) 2.913 27.664 ( 0.064 0.064 2.534) 2.536 28.403 ( -0.035 -0.035 -2.167) 2.167 28.405 ( 0.008 0.008 -2.203) 2.203 28.490 ( 0.483 0.483 -2.081) 2.191 28.541 ( -0.551 -0.551 -2.391) 2.515 43.071 ( 2.851 2.851 -0.310) 4.043 43.330 ( -1.085 -1.085 7.877) 8.025 43.707 ( 19.940 19.940 -19.929) 34.531 44.968 ( -12.388 -12.388 -14.737) 22.893 52.044 ( -0.211 -0.211 -5.017) 5.025 52.165 ( -2.811 -2.811 -3.401) 5.232 52.197 ( 5.407 5.407 0.111) 7.647 52.363 ( 2.455 2.455 0.337) 3.488 53.939 ( 0.014 0.014 6.783) 6.783 53.946 ( 0.107 0.107 6.673) 6.675 54.061 ( -0.225 -0.225 -3.452) 3.466 54.098 ( -0.005 -0.005 -4.080) 4.080 54.395 ( 3.511 3.511 -2.827) 5.713 54.571 ( -0.399 -0.399 0.779) 0.962 55.017 ( -2.213 -2.213 4.542) 5.516 55.167 ( -3.322 -3.322 -2.176) 5.177 56.982 ( 0.377 0.377 -4.793) 4.822 56.993 ( 0.519 0.519 -6.378) 6.420 57.025 ( 1.313 1.313 -4.906) 5.246 57.129 ( -0.801 -0.801 -6.500) 6.598 59.917 ( 0.185 0.185 19.186) 19.188 59.953 ( 0.057 0.057 20.154) 20.154 59.965 ( 0.641 0.641 20.516) 20.536 60.158 ( -4.158 -4.158 19.592) 20.456 62.111 ( -0.041 -0.041 -5.149) 5.150 62.126 ( -0.192 -0.192 -4.274) 4.282 62.126 ( 0.193 0.193 -3.681) 3.691 62.142 ( -0.161 -0.161 -2.431) 2.442 ======================= Grid point 57 (17/36) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 12.283 16.093 14.779) 25.065 1.746 ( 9.458 5.705 18.086) 21.192 1.872 ( -2.523 15.247 11.200) 19.086 2.001 ( -7.975 0.591 14.187) 16.286 2.235 ( 2.225 -1.831 7.305) 7.853 2.255 ( 1.975 -1.038 8.904) 9.180 2.461 ( 2.381 -1.377 2.607) 3.790 2.496 ( -1.158 -3.496 2.324) 4.355 2.550 ( 7.973 -9.378 6.339) 13.846 2.667 ( -4.504 -10.139 7.182) 13.216 2.711 ( 4.381 1.125 6.297) 7.753 2.768 ( 9.550 5.305 14.114) 17.847 3.047 ( -4.220 2.653 0.661) 5.028 3.112 ( -13.808 1.200 0.527) 13.870 3.270 ( 3.053 1.757 -1.581) 3.861 3.350 ( -4.696 -2.950 -3.510) 6.563 3.527 ( -1.488 2.074 0.502) 2.601 3.577 ( -4.135 5.397 -4.091) 7.935 3.692 ( 0.177 0.299 -1.218) 1.267 3.730 ( -2.703 3.998 -1.409) 5.028 3.908 ( 1.985 -2.182 -0.332) 2.969 3.953 ( -1.793 1.664 -1.827) 3.053 4.014 ( 7.636 -3.359 1.940) 8.565 4.138 ( -2.699 -5.616 1.875) 6.507 4.159 ( 5.011 -0.705 -2.520) 5.653 4.296 ( -5.159 -1.773 -3.770) 6.631 4.389 ( 3.139 2.152 -4.370) 5.795 4.429 ( 0.040 -0.528 -4.417) 4.448 4.548 ( 1.608 -0.560 -7.061) 7.264 4.598 ( -2.525 1.810 -8.000) 8.582 4.702 ( -1.706 -5.010 1.428) 5.481 4.735 ( -5.088 -3.739 -0.775) 6.362 4.847 ( 1.446 -8.296 -5.563) 10.092 4.916 ( -3.810 -10.275 -3.076) 11.383 5.152 ( 6.099 -0.546 3.963) 7.294 5.317 ( -8.917 -2.566 4.302) 10.228 5.377 ( 1.483 3.326 -5.230) 6.373 5.446 ( -4.413 5.106 -3.710) 7.701 5.636 ( 6.663 1.251 -4.176) 7.962 5.697 ( 0.034 -2.516 -5.002) 5.599 5.758 ( 3.080 3.944 -3.831) 6.302 5.932 ( -9.691 6.122 5.136) 12.561 6.325 ( 9.375 -4.944 5.453) 11.919 6.521 ( -8.416 -4.528 5.015) 10.792 6.989 ( 3.983 3.014 -12.960) 13.890 6.998 ( 3.913 4.712 -17.562) 18.599 7.273 ( 10.135 5.395 -9.432) 14.859 7.459 ( -7.117 0.121 -9.262) 11.681 10.702 ( 2.794 1.491 11.131) 11.572 10.764 ( -2.771 1.074 10.571) 10.981 10.881 ( 2.577 -1.134 9.531) 9.939 10.938 ( -2.577 -1.466 8.628) 9.123 11.947 ( 0.261 0.411 9.912) 9.924 11.951 ( -0.067 0.598 9.050) 9.070 12.051 ( 4.132 -0.029 9.225) 10.108 12.161 ( -6.133 -2.452 9.236) 11.355 15.028 ( 2.066 0.516 -2.277) 3.117 15.075 ( -2.209 -0.413 -2.487) 3.352 15.190 ( 0.686 0.049 -2.697) 2.783 15.203 ( -0.443 -0.107 -2.698) 2.737 18.715 ( 1.279 0.380 -1.371) 1.913 18.742 ( -1.175 -0.267 -1.542) 1.958 18.797 ( 0.249 0.280 -1.500) 1.546 18.804 ( -0.390 -0.049 -1.376) 1.431 18.891 ( 0.302 -0.330 1.743) 1.799 18.898 ( -0.362 -0.305 1.666) 1.732 18.923 ( 0.135 0.053 1.314) 1.322 18.924 ( 0.031 0.065 1.301) 1.303 19.525 ( 0.079 0.041 1.195) 1.198 19.528 ( -0.182 0.146 1.119) 1.143 19.543 ( 0.557 -0.113 1.022) 1.170 19.556 ( -0.584 -0.257 0.873) 1.082 20.770 ( 0.467 0.137 19.961) 19.967 20.775 ( 0.108 0.219 19.774) 19.775 20.979 ( 2.583 -0.208 19.305) 19.478 21.069 ( -6.090 -2.717 20.070) 21.149 22.104 ( 0.303 0.227 -3.716) 3.735 22.115 ( -0.677 0.306 -5.096) 5.150 22.374 ( 3.796 0.895 -7.100) 8.101 22.443 ( -2.594 -0.472 -6.896) 7.383 22.601 ( 0.727 0.218 -0.117) 0.768 22.618 ( -0.794 -0.104 -0.105) 0.807 22.667 ( 0.201 -0.058 0.313) 0.376 22.671 ( -0.080 -0.085 0.284) 0.307 23.409 ( 0.204 0.618 -1.040) 1.227 23.413 ( -0.130 0.969 -1.226) 1.568 23.531 ( 3.673 -0.416 -3.849) 5.337 23.614 ( -3.826 -1.693 -5.235) 6.702 24.817 ( 0.264 0.150 -0.076) 0.313 24.823 ( -0.308 0.277 -0.264) 0.491 24.856 ( 0.369 -0.037 -0.041) 0.373 24.861 ( -0.137 -0.060 -0.102) 0.181 25.336 ( 1.192 0.782 -0.279) 1.453 25.360 ( -0.972 0.536 -0.872) 1.412 25.520 ( 2.129 0.048 -4.714) 5.173 25.558 ( -1.412 -0.677 -4.331) 4.605 27.582 ( -0.002 0.002 2.679) 2.679 27.583 ( -0.023 -0.016 2.672) 2.672 27.662 ( 0.125 -0.024 2.909) 2.912 27.664 ( -0.072 -0.002 2.809) 2.810 28.403 ( 0.033 0.036 -2.179) 2.180 28.404 ( -0.053 0.063 -2.201) 2.202 28.505 ( 0.891 0.156 -2.250) 2.425 28.525 ( -0.913 -0.244 -2.356) 2.538 43.158 ( 4.933 2.578 1.695) 5.818 43.263 ( -4.480 2.094 4.641) 6.782 44.179 ( 22.139 0.346 -18.648) 28.948 44.622 ( -19.086 -8.850 -15.471) 26.114 52.061 ( 1.629 -0.641 -6.640) 6.867 52.106 ( -2.428 -1.267 -6.129) 6.713 52.317 ( 4.755 5.162 0.806) 7.064 52.380 ( -1.059 4.626 0.925) 4.835 53.942 ( 0.202 -0.167 6.771) 6.776 53.946 ( -0.138 -0.128 6.743) 6.746 54.068 ( 0.738 0.754 -3.838) 3.980 54.087 ( -0.898 0.958 -4.055) 4.262 54.478 ( 3.839 -1.424 -2.005) 4.559 54.545 ( -2.236 -1.842 -0.180) 2.903 55.005 ( 1.629 0.731 3.491) 3.921 55.077 ( -4.482 -0.265 0.507) 4.518 56.990 ( 0.376 0.868 -5.393) 5.476 56.996 ( -0.113 1.096 -6.045) 6.145 57.065 ( 2.106 0.169 -5.685) 6.065 57.105 ( -1.524 -0.354 -6.271) 6.463 59.925 ( 0.567 0.448 19.278) 19.292 59.940 ( -0.788 0.730 19.703) 19.733 60.002 ( 2.461 -0.757 20.962) 21.119 60.069 ( -3.775 -1.856 21.043) 21.459 62.112 ( 0.137 0.056 -4.899) 4.901 62.118 ( -0.392 -0.017 -4.424) 4.441 62.134 ( 0.323 -0.061 -3.482) 3.498 62.139 ( -0.154 0.009 -3.125) 3.129 ======================= Grid point 62 (18/36) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 7.635 7.635 17.915) 20.917 1.968 ( 13.345 13.345 10.039) 21.377 1.999 ( -1.287 -1.287 17.535) 17.630 2.173 ( 2.927 2.927 7.767) 8.801 2.204 ( -0.206 -0.206 6.179) 6.186 2.240 ( -1.235 -1.235 9.895) 10.048 2.328 ( -2.951 -2.951 9.103) 10.014 2.428 ( -5.649 -5.649 4.558) 9.197 2.457 ( 0.347 0.347 -2.649) 2.694 2.465 ( -2.412 -2.412 -0.440) 3.439 2.793 ( 6.137 6.137 6.779) 11.013 2.951 ( 8.777 8.777 12.420) 17.559 2.989 ( -6.911 -6.911 1.823) 9.943 3.129 ( -3.337 -3.337 2.028) 5.136 3.234 ( -1.993 -1.993 -5.597) 6.266 3.255 ( -3.424 -3.424 -1.415) 5.045 3.581 ( 2.919 2.919 -2.306) 4.729 3.654 ( -1.852 -1.852 -4.656) 5.342 3.731 ( 5.699 5.699 -0.756) 8.095 3.832 ( 1.772 1.772 1.930) 3.163 3.878 ( -0.629 -0.629 1.509) 1.751 3.940 ( -0.881 -0.881 4.660) 4.824 3.970 ( -4.092 -4.092 -0.486) 5.807 3.978 ( -2.751 -2.751 7.777) 8.695 4.199 ( 5.423 5.423 -1.027) 7.737 4.342 ( -1.523 -1.523 -4.970) 5.417 4.369 ( 1.243 1.243 -11.516) 11.649 4.430 ( 1.982 1.982 -4.423) 5.236 4.495 ( -3.061 -3.061 -2.079) 4.803 4.558 ( -8.598 -8.598 -6.947) 14.004 4.643 ( -0.359 -0.359 -8.094) 8.110 4.692 ( -4.600 -4.600 -8.584) 10.770 4.730 ( 2.164 2.164 -0.849) 3.176 4.770 ( -1.069 -1.069 -0.613) 1.631 5.134 ( -0.057 -0.057 4.794) 4.794 5.203 ( -6.046 -6.046 4.862) 9.836 5.458 ( 4.549 4.549 -3.537) 7.341 5.536 ( 0.757 0.757 -2.241) 2.483 5.595 ( -1.260 -1.260 -4.027) 4.403 5.644 ( -2.771 -2.771 -3.745) 5.421 5.915 ( 9.534 9.534 2.372) 13.690 6.068 ( 0.239 0.239 7.834) 7.841 6.230 ( 1.071 1.071 -0.476) 1.588 6.381 ( -8.261 -8.261 2.232) 11.894 7.052 ( 2.436 2.436 -13.450) 13.884 7.069 ( 1.274 1.274 -15.329) 15.434 7.391 ( 4.650 4.650 -10.265) 12.191 7.452 ( -1.227 -1.227 -10.146) 10.294 10.744 ( 2.186 2.186 10.588) 11.030 10.778 ( -0.449 -0.449 10.124) 10.143 10.865 ( 0.358 0.358 9.908) 9.921 10.897 ( -2.112 -2.112 9.314) 9.781 11.958 ( 0.501 0.501 9.311) 9.338 11.962 ( 0.222 0.222 8.802) 8.808 12.060 ( 1.141 1.141 9.871) 10.002 12.102 ( -2.671 -2.671 9.771) 10.476 15.044 ( 0.867 0.867 -2.358) 2.658 15.062 ( -0.791 -0.791 -2.430) 2.675 15.193 ( 0.228 0.228 -2.815) 2.833 15.199 ( -0.269 -0.269 -2.796) 2.822 18.726 ( 0.542 0.542 -1.516) 1.699 18.736 ( -0.388 -0.388 -1.590) 1.682 18.801 ( 0.095 0.095 -1.396) 1.402 18.803 ( -0.084 -0.084 -1.324) 1.330 18.887 ( 0.019 0.019 1.875) 1.876 18.891 ( -0.321 -0.321 1.793) 1.849 18.924 ( 0.045 0.045 1.270) 1.271 18.925 ( -0.010 -0.010 1.266) 1.266 19.528 ( 0.144 0.144 1.066) 1.085 19.530 ( -0.039 -0.039 0.951) 0.952 19.543 ( 0.142 0.142 1.169) 1.187 19.549 ( -0.361 -0.361 1.028) 1.148 20.775 ( 0.246 0.246 20.178) 20.181 20.778 ( 0.025 0.025 20.064) 20.064 20.981 ( 0.608 0.608 19.126) 19.146 21.011 ( -2.262 -2.262 19.514) 19.775 22.111 ( 0.409 0.409 -5.003) 5.036 22.118 ( -0.134 -0.134 -5.655) 5.658 22.399 ( 1.346 1.346 -6.253) 6.537 22.426 ( -1.087 -1.087 -6.307) 6.492 22.608 ( 0.346 0.346 -0.152) 0.512 22.615 ( -0.253 -0.253 -0.156) 0.390 22.666 ( 0.016 0.016 0.365) 0.366 22.668 ( -0.122 -0.122 0.343) 0.384 23.425 ( 0.734 0.734 -1.315) 1.675 23.431 ( 0.336 0.336 -1.536) 1.608 23.532 ( 0.878 0.878 -3.594) 3.803 23.569 ( -2.243 -2.243 -4.259) 5.310 24.822 ( 0.264 0.264 -0.187) 0.418 24.826 ( -0.065 -0.065 -0.302) 0.316 24.856 ( 0.101 0.101 -0.035) 0.147 24.859 ( -0.128 -0.128 -0.082) 0.198 25.355 ( 0.847 0.847 -0.700) 1.388 25.366 ( -0.109 -0.109 -0.964) 0.976 25.525 ( 0.477 0.477 -4.275) 4.328 25.540 ( -0.853 -0.853 -4.137) 4.309 27.582 ( 0.009 0.009 2.663) 2.663 27.582 ( -0.003 -0.003 2.656) 2.656 27.662 ( 0.041 0.041 2.953) 2.953 27.663 ( -0.067 -0.067 2.929) 2.930 28.404 ( 0.065 0.065 -2.211) 2.212 28.405 ( 0.006 0.006 -2.223) 2.223 28.510 ( 0.320 0.320 -2.318) 2.362 28.518 ( -0.385 -0.385 -2.358) 2.420 43.231 ( 3.699 3.699 1.510) 5.444 43.285 ( -0.726 -0.726 2.615) 2.810 44.229 ( 5.101 5.101 -13.312) 15.140 44.402 ( -10.390 -10.390 -12.209) 19.104 52.065 ( 0.730 0.730 -9.938) 9.992 52.083 ( -0.886 -0.886 -9.795) 9.875 52.420 ( 3.562 3.562 1.849) 5.366 52.448 ( 1.114 1.114 1.832) 2.416 53.940 ( 0.020 0.020 6.792) 6.792 53.942 ( -0.170 -0.170 6.787) 6.791 54.089 ( 1.009 1.009 -4.194) 4.430 54.100 ( 0.078 0.078 -4.298) 4.300 54.463 ( 0.351 0.351 -1.496) 1.576 54.495 ( -2.382 -2.382 -0.871) 3.479 55.030 ( 1.493 1.493 3.409) 4.009 55.061 ( -1.217 -1.217 2.443) 2.988 57.009 ( 0.726 0.726 -6.705) 6.783 57.015 ( 0.359 0.359 -7.334) 7.352 57.074 ( 0.745 0.745 -5.113) 5.220 57.092 ( -0.793 -0.793 -5.724) 5.833 59.939 ( 0.833 0.833 19.467) 19.503 59.953 ( -0.025 -0.025 19.696) 19.696 59.993 ( 0.454 0.454 20.944) 20.953 60.024 ( -2.063 -2.063 21.078) 21.279 62.114 ( 0.103 0.103 -4.886) 4.888 62.116 ( -0.124 -0.124 -4.650) 4.654 62.135 ( 0.131 0.131 -3.400) 3.405 62.138 ( -0.118 -0.118 -3.279) 3.284 ======================= Grid point 75 (19/36) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 0.000 27.373) 27.373 1.528 ( -0.000 -0.000 27.373) 27.373 1.759 ( 0.000 0.000 15.046) 15.046 2.258 ( 0.000 -0.000 2.874) 2.874 2.474 ( 0.000 0.000 -7.014) 7.014 2.503 ( 0.000 -0.000 28.521) 28.521 2.581 ( -0.000 -0.000 3.720) 3.720 2.581 ( 0.000 0.000 3.720) 3.720 2.757 ( 0.000 0.000 0.408) 0.408 2.795 ( 0.000 0.000 2.728) 2.728 2.795 ( -0.000 -0.000 2.728) 2.728 3.027 ( 0.000 0.000 8.570) 8.570 3.027 ( 0.000 0.000 8.570) 8.570 3.242 ( 0.000 0.000 10.242) 10.242 3.459 ( -0.000 -0.000 6.100) 6.100 3.502 ( -0.000 -0.000 7.265) 7.265 3.557 ( 0.000 0.000 -2.501) 2.501 3.557 ( 0.000 0.000 -2.501) 2.501 3.664 ( -0.000 -0.000 -7.326) 7.326 3.666 ( -0.000 0.000 -14.954) 14.954 3.666 ( 0.000 0.000 -14.954) 14.954 3.942 ( 0.000 0.000 -10.052) 10.052 3.942 ( 0.000 0.000 -10.052) 10.052 3.955 ( 0.000 -0.000 2.447) 2.447 4.052 ( 0.000 0.000 -1.504) 1.504 4.261 ( 0.000 -0.000 4.308) 4.308 4.317 ( 0.000 0.000 -2.273) 2.273 4.317 ( 0.000 0.000 -2.273) 2.273 4.708 ( 0.000 0.000 -8.453) 8.453 4.789 ( 0.000 0.000 -9.424) 9.424 4.800 ( 0.000 0.000 4.074) 4.074 4.800 ( 0.000 0.000 4.074) 4.074 4.813 ( 0.000 -0.000 -6.636) 6.636 4.900 ( -0.000 0.000 -5.910) 5.910 5.066 ( -0.000 -0.000 -3.025) 3.025 5.298 ( 0.000 0.000 -6.764) 6.764 5.304 ( 0.000 -0.000 -4.918) 4.918 5.446 ( 0.000 0.000 -7.139) 7.139 5.446 ( 0.000 0.000 -7.139) 7.139 5.491 ( 0.000 0.000 -7.745) 7.745 5.897 ( 0.000 0.000 4.807) 4.807 6.232 ( 0.000 0.000 6.737) 6.737 6.232 ( -0.000 0.000 6.737) 6.737 6.375 ( -0.000 0.000 -4.163) 4.163 6.600 ( 0.000 0.000 -6.461) 6.461 6.600 ( -0.000 0.000 -6.461) 6.461 6.923 ( -0.000 0.000 7.495) 7.495 7.498 ( -0.000 -0.000 -8.705) 8.705 10.858 ( 0.000 0.000 12.430) 12.430 11.027 ( -0.000 0.000 9.909) 9.909 11.027 ( 0.000 0.000 9.909) 9.909 11.152 ( 0.000 0.000 5.976) 5.976 12.093 ( 0.000 0.000 6.966) 6.966 12.093 ( -0.000 -0.000 6.966) 6.966 12.154 ( 0.000 -0.000 10.432) 10.432 12.507 ( 0.000 -0.000 0.054) 0.054 14.937 ( 0.000 0.000 -0.801) 0.801 15.115 ( 0.000 0.000 -2.559) 2.559 15.115 ( 0.000 0.000 -2.559) 2.559 15.127 ( 0.000 0.000 -3.854) 3.854 18.659 ( 0.000 0.000 -0.277) 0.277 18.748 ( 0.000 0.000 -1.514) 1.514 18.748 ( -0.000 0.000 -1.514) 1.514 18.783 ( 0.000 0.000 -2.149) 2.149 18.925 ( -0.000 -0.000 1.681) 1.681 18.937 ( 0.000 0.000 1.170) 1.170 18.949 ( 0.000 0.000 1.691) 1.691 18.949 ( -0.000 -0.000 1.691) 1.691 19.548 ( 0.000 0.000 0.835) 0.835 19.548 ( 0.000 0.000 0.835) 0.835 19.553 ( 0.000 0.000 1.153) 1.153 19.587 ( -0.000 0.000 0.418) 0.418 21.150 ( 0.000 -0.000 19.861) 19.861 21.150 ( 0.000 0.000 19.861) 19.861 21.319 ( 0.000 0.000 20.007) 20.007 21.727 ( 0.000 0.000 6.979) 6.979 22.013 ( 0.000 -0.000 -6.039) 6.039 22.013 ( 0.000 0.000 -6.039) 6.039 22.109 ( -0.000 -0.000 -0.208) 0.208 22.360 ( 0.000 0.000 -8.387) 8.387 22.581 ( 0.000 0.000 0.299) 0.299 22.651 ( -0.000 -0.000 -0.533) 0.533 22.660 ( 0.000 0.000 0.014) 0.014 22.660 ( 0.000 0.000 0.014) 0.014 23.371 ( 0.000 0.000 -1.169) 1.169 23.371 ( 0.000 0.000 -1.169) 1.169 23.422 ( 0.000 0.000 0.116) 0.116 23.607 ( 0.000 0.000 -6.010) 6.010 24.815 ( -0.000 0.000 -0.137) 0.137 24.815 ( 0.000 0.000 -0.137) 0.137 24.845 ( 0.000 0.000 0.431) 0.431 24.860 ( 0.000 0.000 -0.082) 0.082 25.313 ( 0.000 -0.000 1.143) 1.143 25.350 ( 0.000 0.000 -1.360) 1.360 25.350 ( 0.000 0.000 -1.360) 1.360 25.516 ( 0.000 0.000 -4.220) 4.220 27.635 ( 0.000 0.000 2.557) 2.557 27.635 ( 0.000 0.000 2.557) 2.557 27.701 ( 0.000 0.000 2.004) 2.004 27.714 ( 0.000 0.000 2.370) 2.370 28.358 ( 0.000 -0.000 -2.396) 2.396 28.358 ( -0.000 0.000 -2.396) 2.396 28.442 ( -0.000 0.000 -1.762) 1.762 28.503 ( -0.000 0.000 -2.792) 2.792 42.973 ( 0.000 0.000 -1.829) 1.829 42.973 ( 0.000 0.000 -1.829) 1.829 43.602 ( -0.000 0.000 14.402) 14.402 44.942 ( -0.000 0.000 -17.305) 17.305 52.043 ( 0.000 0.000 -0.898) 0.898 52.043 ( -0.000 -0.000 -0.898) 0.898 52.224 ( 0.000 0.000 -0.338) 0.338 52.282 ( -0.000 0.000 -1.484) 1.484 53.963 ( 0.000 0.000 -3.928) 3.928 53.963 ( -0.000 -0.000 -3.928) 3.928 54.129 ( 0.000 -0.000 6.579) 6.579 54.129 ( 0.000 0.000 6.579) 6.579 54.250 ( 0.000 0.000 0.606) 0.606 54.545 ( 0.000 0.000 -3.733) 3.733 55.149 ( -0.000 0.000 1.849) 1.849 55.212 ( 0.000 0.000 -0.810) 0.810 56.877 ( 0.000 0.000 -4.507) 4.507 56.877 ( -0.000 0.000 -4.507) 4.507 56.927 ( 0.000 0.000 -2.566) 2.566 57.025 ( 0.000 0.000 -5.792) 5.792 60.324 ( 0.000 0.000 21.648) 21.648 60.361 ( 0.000 0.000 21.040) 21.040 60.361 ( 0.000 0.000 21.040) 21.040 60.569 ( 0.000 0.000 14.205) 14.205 61.993 ( 0.000 0.000 -6.969) 6.969 62.023 ( -0.000 0.000 -6.297) 6.297 62.023 ( 0.000 0.000 -6.297) 6.297 62.088 ( 0.000 0.000 -5.163) 5.163 ======================= Grid point 76 (20/36) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 7.111 0.000 25.267) 26.248 1.714 ( 14.592 0.000 21.599) 26.066 1.884 ( 9.336 0.000 13.986) 16.815 2.249 ( -0.540 0.000 4.451) 4.484 2.395 ( -4.466 0.000 -1.130) 4.606 2.441 ( -1.254 0.000 16.089) 16.138 2.579 ( -1.308 0.000 1.147) 1.740 2.616 ( -4.116 0.000 4.033) 5.762 2.667 ( -4.270 0.000 0.537) 4.303 2.826 ( 6.501 0.000 15.326) 16.648 2.882 ( 6.166 0.000 -0.812) 6.219 2.985 ( -3.327 0.000 9.491) 10.057 3.097 ( 2.946 0.000 5.845) 6.545 3.119 ( -6.611 0.000 8.949) 11.127 3.384 ( -6.419 0.000 2.739) 6.979 3.462 ( -3.189 0.000 -2.096) 3.816 3.501 ( -9.932 0.000 -8.856) 13.307 3.595 ( 2.365 0.000 0.066) 2.366 3.675 ( 6.557 0.000 -4.712) 8.075 3.705 ( 2.253 0.000 -3.731) 4.358 3.744 ( -0.986 0.000 -8.775) 8.830 3.804 ( -2.731 0.000 -5.285) 5.949 3.930 ( 2.067 0.000 -9.386) 9.611 4.083 ( 3.642 0.000 -2.978) 4.704 4.131 ( 4.265 0.000 -2.722) 5.060 4.202 ( -3.959 0.000 1.954) 4.415 4.271 ( -3.635 0.000 -4.902) 6.103 4.317 ( -0.291 0.000 -3.794) 3.805 4.553 ( -6.389 0.000 -4.290) 7.695 4.656 ( -4.753 0.000 -0.917) 4.841 4.823 ( 3.391 0.000 -7.437) 8.173 4.864 ( -3.990 0.000 -1.333) 4.206 4.868 ( 1.811 0.000 3.936) 4.333 4.952 ( 5.181 0.000 -2.931) 5.952 5.122 ( 3.107 0.000 -5.479) 6.298 5.197 ( -4.107 0.000 -1.784) 4.478 5.271 ( -0.133 0.000 -3.997) 3.999 5.437 ( -5.022 0.000 -7.833) 9.305 5.481 ( 2.937 0.000 -5.050) 5.842 5.582 ( 3.361 0.000 -6.479) 7.298 5.778 ( -7.441 0.000 3.938) 8.419 6.172 ( -4.692 0.000 6.882) 8.329 6.339 ( 7.672 0.000 6.956) 10.356 6.389 ( 4.083 0.000 -11.597) 12.295 6.653 ( 3.855 0.000 -8.362) 9.208 6.777 ( 12.461 0.000 -6.145) 13.893 6.875 ( -4.079 0.000 7.496) 8.533 7.443 ( -5.050 0.000 -8.732) 10.087 10.873 ( 1.390 0.000 12.169) 12.248 11.010 ( -1.534 0.000 10.098) 10.213 11.041 ( 1.233 0.000 9.581) 9.660 11.142 ( -0.926 0.000 6.430) 6.496 12.100 ( 0.675 0.000 7.291) 7.322 12.121 ( 2.542 0.000 6.927) 7.379 12.150 ( -0.311 0.000 10.030) 10.035 12.448 ( -5.018 0.000 1.948) 5.382 14.949 ( 1.070 0.000 -1.098) 1.533 15.080 ( -2.210 0.000 -2.896) 3.643 15.121 ( 0.535 0.000 -2.661) 2.715 15.144 ( 0.524 0.000 -3.322) 3.363 18.667 ( 0.752 0.000 -0.434) 0.869 18.740 ( -0.760 0.000 -1.564) 1.739 18.753 ( 0.384 0.000 -1.468) 1.517 18.782 ( -0.154 0.000 -1.905) 1.912 18.924 ( 0.005 0.000 1.660) 1.660 18.936 ( -0.117 0.000 1.254) 1.259 18.949 ( 0.042 0.000 1.566) 1.567 18.950 ( 0.069 0.000 1.558) 1.560 19.548 ( -0.037 0.000 0.873) 0.873 19.550 ( 0.040 0.000 0.966) 0.967 19.554 ( 0.126 0.000 0.952) 0.960 19.583 ( -0.364 0.000 0.450) 0.578 21.156 ( 0.527 0.000 19.825) 19.832 21.157 ( 0.575 0.000 19.870) 19.879 21.326 ( 0.757 0.000 19.602) 19.616 21.618 ( -7.806 0.000 10.790) 13.318 22.014 ( 0.114 0.000 -5.608) 5.609 22.065 ( 0.446 0.000 -4.398) 4.420 22.114 ( 3.214 0.000 -3.418) 4.692 22.344 ( -1.525 0.000 -8.282) 8.421 22.586 ( 0.432 0.000 0.242) 0.495 22.637 ( -0.864 0.000 -0.285) 0.910 22.664 ( 0.324 0.000 0.011) 0.324 22.668 ( 0.405 0.000 -0.144) 0.430 23.374 ( 0.232 0.000 -1.091) 1.115 23.382 ( 0.611 0.000 -1.339) 1.472 23.430 ( 1.021 0.000 -0.447) 1.115 23.587 ( -1.860 0.000 -5.532) 5.836 24.815 ( -0.008 0.000 -0.105) 0.105 24.817 ( 0.059 0.000 -0.131) 0.144 24.849 ( 0.315 0.000 0.238) 0.395 24.860 ( 0.011 0.000 -0.101) 0.102 25.317 ( 0.382 0.000 0.885) 0.964 25.347 ( -0.259 0.000 -1.139) 1.168 25.380 ( 2.425 0.000 -2.430) 3.433 25.507 ( -0.862 0.000 -4.204) 4.291 27.635 ( -0.024 0.000 2.559) 2.559 27.636 ( 0.004 0.000 2.543) 2.543 27.705 ( 0.347 0.000 2.051) 2.080 27.715 ( 0.064 0.000 2.371) 2.372 28.358 ( -0.024 0.000 -2.376) 2.376 28.358 ( -0.002 0.000 -2.364) 2.364 28.446 ( 0.366 0.000 -1.888) 1.923 28.496 ( -0.614 0.000 -2.738) 2.806 43.031 ( 5.252 0.000 -0.457) 5.271 43.216 ( 19.110 0.000 -6.966) 20.340 43.567 ( -1.782 0.000 11.967) 12.099 44.791 ( -13.725 0.000 -17.020) 21.864 52.035 ( -0.461 0.000 -1.353) 1.430 52.056 ( 0.671 0.000 -2.119) 2.223 52.231 ( 0.894 0.000 0.446) 0.999 52.291 ( 0.587 0.000 -0.930) 1.100 53.953 ( -0.653 0.000 -3.837) 3.892 53.959 ( -0.395 0.000 -4.033) 4.052 54.127 ( -0.067 0.000 6.983) 6.983 54.128 ( -0.038 0.000 6.765) 6.766 54.315 ( 5.264 0.000 -1.110) 5.380 54.544 ( -0.285 0.000 -3.783) 3.794 55.118 ( -2.430 0.000 2.909) 3.790 55.174 ( -3.244 0.000 0.138) 3.247 56.881 ( 0.292 0.000 -4.436) 4.446 56.885 ( 0.530 0.000 -4.495) 4.526 56.935 ( 0.846 0.000 -2.978) 3.096 57.017 ( -0.726 0.000 -5.545) 5.592 60.321 ( -0.127 0.000 21.439) 21.440 60.353 ( -0.685 0.000 21.036) 21.047 60.379 ( 1.556 0.000 20.981) 21.038 60.540 ( -2.449 0.000 15.902) 16.090 61.990 ( -0.133 0.000 -7.123) 7.124 62.018 ( -0.439 0.000 -6.570) 6.584 62.032 ( 0.670 0.000 -6.047) 6.084 62.077 ( -0.795 0.000 -5.076) 5.138 ======================= Grid point 77 (21/36) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 8.751 0.000 19.770) 21.620 1.941 ( -2.812 0.000 13.365) 13.658 2.041 ( 11.202 0.000 16.419) 19.877 2.221 ( -4.238 0.000 9.698) 10.584 2.353 ( 2.313 0.000 3.844) 4.486 2.457 ( -4.289 0.000 8.735) 9.731 2.549 ( -0.708 0.000 0.523) 0.880 2.571 ( -3.207 0.000 -0.374) 3.229 2.644 ( 14.010 0.000 3.699) 14.490 2.885 ( -5.112 0.000 5.207) 7.297 2.965 ( -2.177 0.000 6.094) 6.471 3.010 ( 3.594 0.000 0.416) 3.618 3.015 ( 5.734 0.000 10.666) 12.110 3.133 ( -15.902 0.000 -0.221) 15.904 3.199 ( 4.371 0.000 2.856) 5.222 3.311 ( -6.140 0.000 -0.024) 6.140 3.440 ( 3.777 0.000 1.012) 3.910 3.618 ( -7.879 0.000 5.478) 9.597 3.652 ( 0.786 0.000 -2.113) 2.255 3.694 ( -1.784 0.000 -1.328) 2.224 3.776 ( 2.252 0.000 -9.078) 9.353 3.796 ( -0.193 0.000 -10.512) 10.514 4.017 ( 3.092 0.000 -4.908) 5.801 4.055 ( -2.501 0.000 -1.776) 3.067 4.189 ( 1.160 0.000 -7.647) 7.735 4.191 ( 1.022 0.000 -7.035) 7.109 4.233 ( 1.840 0.000 -7.064) 7.300 4.298 ( -2.267 0.000 -7.881) 8.200 4.529 ( 3.055 0.000 2.469) 3.928 4.607 ( -1.737 0.000 4.598) 4.916 4.747 ( -3.278 0.000 -1.006) 3.429 4.794 ( -4.465 0.000 -1.491) 4.707 4.969 ( 5.484 0.000 -1.189) 5.612 5.042 ( -0.337 0.000 -2.572) 2.594 5.149 ( 4.081 0.000 -7.469) 8.512 5.172 ( 2.178 0.000 -1.188) 2.481 5.281 ( -2.676 0.000 0.312) 2.695 5.302 ( -6.594 0.000 -5.399) 8.522 5.532 ( 1.371 0.000 -1.061) 1.733 5.574 ( -2.184 0.000 -2.303) 3.174 5.751 ( 7.321 0.000 2.270) 7.664 5.983 ( -11.704 0.000 4.856) 12.671 6.506 ( 7.129 0.000 3.466) 7.927 6.544 ( 5.740 0.000 -14.595) 15.683 6.712 ( 1.051 0.000 -9.126) 9.187 6.757 ( -5.184 0.000 5.613) 7.641 7.053 ( 12.221 0.000 -7.225) 14.197 7.287 ( -9.425 0.000 -8.391) 12.619 10.914 ( 2.328 0.000 11.491) 11.725 10.966 ( -2.419 0.000 10.683) 10.953 11.075 ( 1.851 0.000 8.690) 8.885 11.114 ( -1.661 0.000 7.503) 7.684 12.118 ( 0.901 0.000 8.153) 8.202 12.136 ( -0.711 0.000 9.205) 9.233 12.203 ( 4.813 0.000 6.359) 7.975 12.323 ( -6.132 0.000 4.813) 7.795 14.982 ( 1.975 0.000 -1.805) 2.675 15.029 ( -2.404 0.000 -2.499) 3.467 15.135 ( 0.669 0.000 -2.877) 2.953 15.146 ( -0.292 0.000 -3.115) 3.129 18.689 ( 1.269 0.000 -0.845) 1.524 18.717 ( -1.299 0.000 -1.328) 1.857 18.763 ( 0.584 0.000 -1.423) 1.538 18.775 ( -0.461 0.000 -1.558) 1.625 18.927 ( 0.206 0.000 1.524) 1.538 18.932 ( -0.235 0.000 1.389) 1.409 18.950 ( 0.046 0.000 1.389) 1.389 18.951 ( 0.012 0.000 1.389) 1.389 19.547 ( 0.009 0.000 0.964) 0.964 19.548 ( -0.089 0.000 1.057) 1.061 19.561 ( 0.484 0.000 0.677) 0.832 19.572 ( -0.549 0.000 0.542) 0.771 21.167 ( 0.398 0.000 19.820) 19.824 21.168 ( 0.347 0.000 19.871) 19.874 21.362 ( 2.938 0.000 18.355) 18.589 21.460 ( -6.293 0.000 15.761) 16.971 22.020 ( 0.541 0.000 -4.492) 4.524 22.040 ( -1.308 0.000 -3.161) 3.421 22.213 ( 4.563 0.000 -7.158) 8.489 22.295 ( -3.070 0.000 -7.945) 8.518 22.599 ( 0.785 0.000 0.089) 0.790 22.618 ( -0.934 0.000 -0.106) 0.940 22.671 ( 0.263 0.000 -0.009) 0.263 22.673 ( 0.042 0.000 -0.083) 0.093 23.380 ( 0.322 0.000 -0.930) 0.984 23.386 ( -0.144 0.000 -0.928) 0.940 23.472 ( 2.707 0.000 -2.452) 3.652 23.534 ( -2.914 0.000 -4.247) 5.150 24.815 ( 0.037 0.000 -0.054) 0.065 24.816 ( -0.055 0.000 -0.058) 0.080 24.856 ( 0.288 0.000 -0.025) 0.289 24.860 ( -0.095 0.000 -0.113) 0.148 25.328 ( 0.564 0.000 0.229) 0.609 25.339 ( -0.487 0.000 -0.543) 0.729 25.435 ( 2.472 0.000 -3.710) 4.458 25.480 ( -1.681 0.000 -4.128) 4.457 27.635 ( 0.003 0.000 2.559) 2.559 27.635 ( -0.033 0.000 2.546) 2.546 27.712 ( 0.275 0.000 2.197) 2.215 27.715 ( -0.034 0.000 2.331) 2.331 28.358 ( -0.004 0.000 -2.329) 2.329 28.358 ( -0.032 0.000 -2.312) 2.312 28.459 ( 0.836 0.000 -2.234) 2.385 28.479 ( -0.951 0.000 -2.558) 2.730 43.180 ( 8.202 0.000 3.002) 8.735 43.349 ( -6.350 0.000 5.755) 8.570 43.849 ( 25.844 0.000 -12.028) 28.506 44.389 ( -23.083 0.000 -16.239) 28.222 52.035 ( 0.524 0.000 -2.259) 2.319 52.053 ( -0.853 0.000 -2.997) 3.116 52.265 ( 1.949 0.000 0.703) 2.072 52.294 ( -0.541 0.000 -0.095) 0.550 53.945 ( -0.064 0.000 -3.967) 3.968 53.949 ( -0.408 0.000 -4.112) 4.132 54.127 ( 0.028 0.000 7.191) 7.191 54.127 ( -0.038 0.000 7.074) 7.074 54.437 ( 5.368 0.000 -3.339) 6.322 54.520 ( -2.315 0.000 -3.986) 4.609 55.076 ( -0.757 0.000 3.874) 3.947 55.100 ( -2.869 0.000 2.441) 3.767 56.887 ( 0.298 0.000 -4.270) 4.281 56.891 ( 0.002 0.000 -4.227) 4.227 56.963 ( 1.597 0.000 -4.127) 4.425 56.995 ( -1.329 0.000 -4.985) 5.159 60.323 ( 0.369 0.000 21.202) 21.205 60.336 ( -0.793 0.000 21.069) 21.084 60.422 ( 2.406 0.000 20.329) 20.471 60.480 ( -2.925 0.000 18.652) 18.880 61.992 ( 0.360 0.000 -7.208) 7.217 62.005 ( -0.739 0.000 -7.008) 7.047 62.047 ( 0.690 0.000 -5.621) 5.663 62.061 ( -0.682 0.000 -5.215) 5.260 ======================= Grid point 81 (22/36) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 9.273 9.273 21.709) 25.362 1.819 ( 10.228 10.228 19.826) 24.542 2.006 ( 9.488 9.488 11.481) 17.660 2.245 ( -0.013 -0.013 5.872) 5.872 2.346 ( -2.948 -2.948 0.732) 4.232 2.416 ( -0.996 -0.996 12.748) 12.826 2.564 ( -1.775 -1.775 1.707) 3.035 2.579 ( -4.818 -4.818 4.165) 7.986 2.624 ( -2.332 -2.332 1.172) 3.500 2.866 ( -1.377 -1.377 -0.421) 1.993 2.912 ( 6.681 6.681 17.373) 19.776 2.943 ( -5.081 -5.081 9.878) 12.215 3.002 ( -1.807 -1.807 5.916) 6.445 3.161 ( 2.265 2.265 0.555) 3.251 3.388 ( -2.730 -2.730 -4.076) 5.614 3.392 ( -5.116 -5.116 2.907) 7.797 3.583 ( -0.130 -0.130 0.402) 0.442 3.596 ( -1.299 -1.299 0.362) 1.872 3.610 ( -1.975 -1.975 -11.627) 11.958 3.682 ( 2.779 2.779 -8.428) 9.299 3.803 ( 1.425 1.425 -4.240) 4.694 3.829 ( 3.217 3.217 -0.144) 4.551 3.973 ( -1.676 -1.676 -6.570) 6.985 3.996 ( 3.391 3.391 -5.743) 7.483 4.152 ( -1.655 -1.655 -10.089) 10.357 4.190 ( -1.273 -1.273 1.851) 2.583 4.314 ( 3.783 3.783 1.006) 5.444 4.368 ( 0.168 0.168 -1.065) 1.091 4.467 ( -5.032 -5.032 -5.727) 9.134 4.594 ( -3.689 -3.689 -5.158) 7.336 4.695 ( -2.103 -2.103 -0.537) 3.022 4.801 ( -3.768 -3.768 -3.766) 6.525 4.831 ( -5.579 -5.579 -0.838) 7.935 5.009 ( -8.061 -8.061 -1.975) 11.570 5.072 ( 6.009 6.009 -1.140) 8.575 5.270 ( 0.932 0.932 -1.357) 1.892 5.353 ( 10.621 10.621 -1.698) 15.116 5.437 ( -0.646 -0.646 -6.960) 7.019 5.545 ( 3.034 3.034 -4.753) 6.403 5.603 ( -1.998 -1.998 -0.844) 2.949 5.669 ( -4.807 -4.807 0.388) 6.809 6.215 ( -0.584 -0.584 6.713) 6.763 6.289 ( -0.843 -0.843 4.541) 4.695 6.452 ( 5.880 5.880 -13.537) 15.887 6.681 ( 2.962 2.962 -9.526) 10.406 6.830 ( -3.695 -3.695 6.647) 8.455 6.909 ( 9.418 9.418 -6.277) 14.724 7.404 ( -3.702 -3.702 -8.614) 10.080 10.888 ( 1.303 1.303 11.896) 12.038 11.008 ( -0.762 -0.762 9.816) 9.875 11.040 ( 0.519 0.519 9.772) 9.800 11.132 ( -0.931 -0.931 6.862) 6.987 12.104 ( 0.468 0.468 7.097) 7.128 12.141 ( 0.707 0.707 8.636) 8.694 12.151 ( 1.126 1.126 8.343) 8.494 12.403 ( -3.856 -3.856 3.302) 6.376 14.958 ( 0.882 0.882 -1.353) 1.840 15.063 ( -1.465 -1.465 -2.873) 3.542 15.123 ( 0.328 0.328 -2.697) 2.736 15.148 ( 0.124 0.124 -3.237) 3.242 18.674 ( 0.613 0.613 -0.589) 1.048 18.731 ( -0.665 -0.665 -1.521) 1.788 18.760 ( 0.418 0.418 -1.478) 1.592 18.780 ( -0.117 -0.117 -1.733) 1.741 18.923 ( -0.056 -0.056 1.694) 1.696 18.934 ( -0.156 -0.156 1.310) 1.328 18.950 ( 0.027 0.027 1.513) 1.513 18.950 ( 0.038 0.038 1.429) 1.430 19.547 ( -0.049 -0.049 0.898) 0.901 19.552 ( -0.084 -0.084 1.009) 1.016 19.554 ( 0.222 0.222 0.841) 0.897 19.579 ( -0.300 -0.300 0.495) 0.652 21.160 ( 0.427 0.427 19.886) 19.895 21.163 ( 0.472 0.472 19.805) 19.816 21.330 ( 0.524 0.524 19.295) 19.310 21.551 ( -5.342 -5.342 13.152) 15.168 22.009 ( -0.184 -0.184 -6.003) 6.009 22.055 ( -1.217 -1.217 -2.917) 3.387 22.155 ( 3.560 3.560 -5.497) 7.454 22.334 ( -0.966 -0.966 -7.974) 8.090 22.589 ( 0.358 0.358 0.181) 0.538 22.630 ( -0.570 -0.570 -0.266) 0.849 22.667 ( 0.207 0.207 0.071) 0.301 22.671 ( 0.175 0.175 -0.131) 0.280 23.383 ( 0.345 0.345 -1.229) 1.322 23.383 ( 0.470 0.470 -1.217) 1.386 23.436 ( 0.786 0.786 -0.874) 1.414 23.569 ( -1.631 -1.631 -5.086) 5.584 24.814 ( 0.014 0.014 -0.006) 0.020 24.820 ( 0.101 0.101 -0.274) 0.309 24.850 ( 0.179 0.179 0.169) 0.305 24.860 ( -0.015 -0.015 -0.115) 0.117 25.321 ( 0.392 0.392 0.621) 0.833 25.349 ( -0.054 -0.054 -1.200) 1.203 25.398 ( 1.619 1.619 -2.824) 3.636 25.499 ( -0.769 -0.769 -4.140) 4.281 27.635 ( -0.013 -0.013 2.548) 2.548 27.635 ( -0.024 -0.024 2.547) 2.548 27.708 ( 0.245 0.245 2.133) 2.161 27.716 ( 0.068 0.068 2.365) 2.367 28.358 ( -0.014 -0.014 -2.325) 2.326 28.358 ( 0.006 0.006 -2.392) 2.392 28.449 ( 0.312 0.312 -1.998) 2.046 28.490 ( -0.510 -0.510 -2.697) 2.791 43.061 ( 3.920 3.920 -0.651) 5.581 43.434 ( 16.690 16.690 -9.420) 25.413 43.516 ( -3.769 -3.769 11.001) 12.224 44.664 ( -11.500 -11.500 -16.014) 22.825 51.954 ( -2.377 -2.377 -3.949) 5.186 52.109 ( -5.227 -5.227 -2.321) 7.747 52.203 ( 6.468 6.468 0.487) 9.159 52.374 ( 3.450 3.450 0.663) 4.924 53.947 ( -0.246 -0.246 -3.938) 3.954 53.962 ( -0.059 -0.059 -3.986) 3.987 54.127 ( 0.006 0.006 7.171) 7.171 54.129 ( 0.008 0.008 6.588) 6.588 54.346 ( 2.804 2.804 -1.820) 4.363 54.538 ( -0.818 -0.818 -3.853) 4.023 55.094 ( -1.501 -1.501 3.376) 3.988 55.160 ( -1.431 -1.431 1.182) 2.344 56.882 ( 0.204 0.204 -4.768) 4.776 56.890 ( 0.261 0.261 -4.306) 4.322 56.944 ( 0.866 0.866 -3.293) 3.514 57.012 ( -0.526 -0.526 -5.350) 5.401 60.320 ( 0.052 0.052 21.274) 21.274 60.363 ( -0.055 -0.055 21.078) 21.078 60.377 ( 0.674 0.674 20.887) 20.909 60.517 ( -2.025 -2.025 17.100) 17.339 61.988 ( -0.055 -0.055 -7.269) 7.269 62.020 ( -0.352 -0.352 -6.611) 6.630 62.032 ( 0.367 0.367 -6.026) 6.048 62.071 ( -0.493 -0.493 -5.057) 5.105 ======================= Grid point 82 (23/36) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 8.360 11.644 16.952) 22.200 2.076 ( 10.744 3.492 14.505) 18.385 2.085 ( -4.231 11.986 11.920) 17.426 2.229 ( -3.385 1.337 9.371) 10.053 2.326 ( 3.411 -1.685 4.066) 5.568 2.447 ( -5.316 -0.874 7.906) 9.567 2.481 ( 1.694 -4.197 1.521) 4.775 2.522 ( -2.868 -3.937 1.055) 4.983 2.662 ( 10.436 -3.995 5.233) 12.339 2.804 ( -1.525 -11.021 6.316) 12.794 2.846 ( -2.091 0.602 5.493) 5.909 3.033 ( 0.565 2.139 5.180) 5.633 3.055 ( 3.185 3.084 2.784) 5.235 3.105 ( -11.233 -0.005 -0.990) 11.277 3.254 ( 1.458 -3.105 0.305) 3.444 3.330 ( -3.489 0.009 1.142) 3.671 3.506 ( -0.303 5.043 -1.090) 5.168 3.569 ( -2.963 -2.266 0.659) 3.788 3.658 ( 1.352 -1.359 -1.753) 2.598 3.675 ( -1.465 4.183 -4.302) 6.177 3.831 ( -0.303 3.459 -6.936) 7.756 3.842 ( 0.445 4.272 -4.747) 6.401 4.051 ( 4.948 -6.711 -5.596) 10.042 4.090 ( 3.209 4.925 -0.404) 5.892 4.118 ( -1.327 -2.693 -11.124) 11.522 4.137 ( -1.766 4.560 0.675) 4.936 4.339 ( 1.098 -3.006 -3.484) 4.731 4.355 ( 1.051 1.702 -4.382) 4.817 4.435 ( -0.133 1.318 -3.937) 4.154 4.534 ( -5.632 -5.129 1.777) 7.822 4.663 ( -2.127 -9.346 -6.672) 11.679 4.724 ( -4.551 -9.089 -1.475) 10.271 4.762 ( 5.036 -6.164 -1.000) 8.022 4.865 ( -5.201 -7.724 -0.957) 9.360 5.212 ( 6.518 3.542 0.984) 7.483 5.296 ( 1.070 2.502 -1.549) 3.131 5.374 ( -3.778 5.728 -0.861) 6.915 5.420 ( -6.123 4.107 2.836) 7.900 5.540 ( 3.810 1.305 -3.269) 5.187 5.610 ( -2.801 0.293 -3.326) 4.359 5.737 ( 12.545 3.440 0.520) 13.018 6.022 ( -12.836 5.266 3.550) 14.321 6.424 ( 8.330 -7.396 3.126) 11.570 6.545 ( -0.540 -1.771 -6.864) 7.109 6.736 ( 1.285 2.224 -9.539) 9.879 6.756 ( -1.484 0.543 -4.140) 4.432 7.114 ( 9.202 4.884 -6.986) 12.543 7.289 ( -6.955 0.006 -8.023) 10.618 10.926 ( 2.162 1.039 11.183) 11.437 10.974 ( -2.163 0.547 10.322) 10.561 11.067 ( 1.701 -0.626 9.053) 9.232 11.104 ( -1.620 -0.883 7.898) 8.111 12.119 ( 0.788 0.094 7.686) 7.726 12.134 ( -0.623 -0.151 8.793) 8.816 12.212 ( 3.788 0.743 6.959) 7.958 12.305 ( -4.809 -1.481 5.564) 7.502 14.985 ( 1.643 0.359 -1.963) 2.586 15.025 ( -1.947 -0.424 -2.557) 3.241 15.134 ( 0.585 -0.022 -2.864) 2.923 15.145 ( -0.362 -0.120 -3.072) 3.095 18.691 ( 1.007 0.222 -0.978) 1.421 18.713 ( -0.976 -0.315 -1.374) 1.714 18.768 ( 0.392 0.345 -1.368) 1.465 18.776 ( -0.307 0.062 -1.449) 1.483 18.924 ( 0.172 -0.172 1.612) 1.630 18.929 ( -0.261 -0.209 1.451) 1.489 18.950 ( 0.031 -0.004 1.363) 1.364 18.951 ( -0.001 -0.004 1.322) 1.322 19.546 ( 0.051 -0.043 0.922) 0.924 19.549 ( -0.144 -0.013 0.953) 0.964 19.561 ( 0.421 0.027 0.759) 0.868 19.571 ( -0.459 -0.146 0.614) 0.780 21.170 ( 0.398 0.295 19.873) 19.879 21.172 ( 0.245 0.309 19.834) 19.838 21.357 ( 2.264 -0.340 18.365) 18.507 21.434 ( -4.892 -2.194 16.493) 17.342 22.011 ( 0.402 -0.656 -5.338) 5.394 22.027 ( -1.141 -0.995 -3.955) 4.235 22.236 ( 3.580 1.809 -6.553) 7.683 22.300 ( -2.319 0.264 -7.325) 7.688 22.600 ( 0.652 0.152 0.025) 0.670 22.616 ( -0.739 -0.165 -0.155) 0.773 22.671 ( 0.182 0.028 0.069) 0.197 22.673 ( 0.003 -0.013 -0.028) 0.031 23.388 ( 0.241 0.601 -1.043) 1.227 23.391 ( 0.028 0.508 -1.036) 1.154 23.469 ( 2.232 -0.140 -2.360) 3.251 23.523 ( -2.532 -1.018 -3.916) 4.773 24.816 ( 0.147 0.089 -0.051) 0.179 24.819 ( -0.135 0.149 -0.183) 0.272 24.855 ( 0.236 -0.015 -0.015) 0.237 24.859 ( -0.111 -0.055 -0.111) 0.166 25.332 ( 0.560 0.387 -0.036) 0.682 25.343 ( -0.430 0.283 -0.769) 0.925 25.438 ( 1.941 0.302 -3.579) 4.082 25.475 ( -1.435 -0.441 -3.965) 4.240 27.635 ( -0.006 -0.011 2.549) 2.549 27.635 ( -0.020 -0.025 2.542) 2.542 27.713 ( 0.224 0.094 2.282) 2.295 27.716 ( -0.044 0.058 2.352) 2.354 28.358 ( 0.011 0.018 -2.320) 2.320 28.358 ( -0.024 0.026 -2.358) 2.358 28.460 ( 0.685 0.086 -2.278) 2.381 28.476 ( -0.789 -0.242 -2.547) 2.677 43.193 ( 7.868 1.713 1.836) 8.259 43.368 ( -7.967 0.712 5.864) 9.918 43.882 ( 22.003 3.369 -11.689) 25.142 44.329 ( -19.094 -5.410 -14.060) 24.322 51.944 ( 1.254 -4.196 -5.153) 6.762 52.002 ( -4.099 -4.859 -4.375) 7.717 52.338 ( 5.124 6.496 1.230) 8.365 52.403 ( -0.844 5.826 1.299) 6.028 53.947 ( 0.271 0.281 -4.070) 4.089 53.956 ( -0.432 0.392 -4.087) 4.129 54.127 ( 0.030 0.035 7.119) 7.119 54.128 ( -0.059 0.070 6.824) 6.825 54.422 ( 3.963 -0.942 -3.079) 5.106 54.499 ( -2.876 -1.934 -3.795) 5.140 55.082 ( 0.659 0.811 3.879) 4.018 55.117 ( -2.279 0.953 2.938) 3.838 56.888 ( 0.288 0.074 -4.750) 4.759 56.892 ( -0.075 0.060 -4.455) 4.456 56.969 ( 1.320 0.517 -4.087) 4.326 56.995 ( -1.041 -0.052 -4.843) 4.954 60.327 ( 0.636 0.411 21.099) 21.113 60.345 ( -1.031 0.742 21.027) 21.066 60.413 ( 2.200 -0.728 20.432) 20.563 60.465 ( -2.573 -1.296 19.136) 19.352 61.992 ( 0.394 -0.003 -7.305) 7.315 62.005 ( -0.784 -0.067 -7.024) 7.068 62.045 ( 0.701 -0.069 -5.654) 5.698 62.059 ( -0.607 -0.179 -5.254) 5.292 ======================= Grid point 87 (24/36) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 6.775 6.775 12.705) 15.912 2.190 ( 9.555 9.555 11.703) 17.876 2.277 ( 0.935 0.935 10.438) 10.521 2.303 ( 1.181 1.181 4.689) 4.978 2.332 ( 3.240 3.240 7.962) 9.187 2.405 ( -1.442 -1.442 0.020) 2.040 2.418 ( -2.423 -2.423 7.095) 7.879 2.440 ( -3.215 -3.215 1.507) 4.790 2.539 ( -1.321 -1.321 10.191) 10.361 2.597 ( -5.758 -5.758 9.533) 12.537 2.907 ( 2.877 2.877 4.699) 6.215 3.028 ( -5.897 -5.897 1.790) 8.530 3.107 ( 1.900 1.900 1.998) 3.349 3.136 ( 0.370 0.370 -1.380) 1.475 3.147 ( 0.536 0.536 -3.224) 3.312 3.248 ( -5.685 -5.685 -0.270) 8.044 3.535 ( -0.662 -0.662 -3.184) 3.319 3.542 ( -0.972 -0.972 -6.840) 6.977 3.766 ( 7.735 7.735 -1.935) 11.109 3.794 ( 5.452 5.452 1.910) 7.944 3.870 ( -2.344 -2.344 -9.175) 9.756 3.925 ( 2.009 2.009 2.888) 4.052 3.969 ( 1.981 1.981 -2.401) 3.690 4.103 ( -0.482 -0.482 -13.315) 13.332 4.112 ( -3.678 -3.678 5.093) 7.280 4.159 ( -4.532 -4.532 -1.634) 6.615 4.252 ( 6.160 6.160 -1.277) 8.805 4.411 ( 1.225 1.225 -1.466) 2.269 4.441 ( -7.737 -7.737 -4.671) 11.897 4.480 ( -2.298 -2.298 -6.899) 7.626 4.491 ( -1.376 -1.376 0.084) 1.948 4.511 ( -5.660 -5.660 -7.850) 11.211 4.725 ( 2.016 2.016 0.315) 2.869 4.773 ( -2.150 -2.150 0.545) 3.089 5.237 ( 0.267 0.267 5.099) 5.113 5.309 ( -5.976 -5.976 5.641) 10.161 5.399 ( 5.777 5.777 -2.294) 8.485 5.506 ( 2.009 2.009 -0.759) 2.940 5.523 ( -1.777 -1.777 -2.600) 3.616 5.587 ( -1.823 -1.823 -1.981) 3.251 5.942 ( 12.724 12.724 0.580) 18.004 6.207 ( 0.219 0.219 6.106) 6.114 6.216 ( -1.330 -1.330 -1.572) 2.452 6.427 ( -8.639 -8.639 1.616) 12.324 6.784 ( 1.411 1.411 -12.443) 12.602 6.785 ( 1.421 1.421 -13.324) 13.474 7.218 ( 4.116 4.116 -7.189) 9.250 7.277 ( -1.425 -1.425 -7.532) 7.797 10.954 ( 1.477 1.477 10.386) 10.594 10.978 ( -0.465 -0.465 9.761) 9.783 11.060 ( 0.297 0.297 9.589) 9.599 11.080 ( -1.260 -1.260 8.859) 9.037 12.123 ( 0.294 0.294 7.273) 7.285 12.129 ( -0.284 -0.284 7.836) 7.847 12.234 ( 1.337 1.337 7.606) 7.838 12.268 ( -1.811 -1.811 6.990) 7.445 14.997 ( 0.675 0.675 -2.314) 2.503 15.012 ( -0.715 -0.715 -2.559) 2.752 15.136 ( 0.175 0.175 -2.878) 2.888 15.141 ( -0.260 -0.260 -2.970) 2.993 18.698 ( 0.368 0.368 -1.249) 1.353 18.706 ( -0.367 -0.367 -1.406) 1.499 18.774 ( 0.200 0.200 -1.248) 1.279 18.777 ( -0.025 -0.025 -1.262) 1.262 18.922 ( 0.004 0.004 1.663) 1.663 18.924 ( -0.203 -0.203 1.577) 1.603 18.950 ( 0.000 0.000 1.298) 1.298 18.951 ( -0.019 -0.019 1.270) 1.270 19.546 ( 0.033 0.033 0.828) 0.830 19.548 ( -0.073 -0.073 0.816) 0.822 19.563 ( 0.142 0.142 0.850) 0.874 19.567 ( -0.210 -0.210 0.766) 0.821 21.178 ( 0.286 0.286 19.899) 19.903 21.179 ( 0.204 0.204 19.863) 19.865 21.356 ( 0.469 0.469 18.206) 18.218 21.384 ( -2.100 -2.100 17.616) 17.864 22.001 ( -0.110 -0.110 -5.948) 5.950 22.008 ( -0.674 -0.674 -5.327) 5.412 22.275 ( 1.585 1.585 -6.066) 6.467 22.298 ( -0.545 -0.545 -6.403) 6.450 22.605 ( 0.273 0.273 -0.114) 0.402 22.611 ( -0.261 -0.261 -0.197) 0.419 22.672 ( 0.037 0.037 0.156) 0.165 22.673 ( -0.041 -0.041 0.099) 0.115 23.400 ( 0.478 0.478 -1.156) 1.339 23.403 ( 0.310 0.310 -1.294) 1.366 23.472 ( 0.583 0.583 -2.448) 2.583 23.495 ( -1.395 -1.395 -3.142) 3.710 24.818 ( 0.145 0.145 -0.156) 0.258 24.821 ( -0.023 -0.023 -0.240) 0.242 24.856 ( 0.060 0.060 -0.036) 0.092 24.857 ( -0.090 -0.090 -0.088) 0.155 25.341 ( 0.411 0.411 -0.599) 0.835 25.347 ( -0.030 -0.030 -0.948) 0.949 25.448 ( 0.604 0.604 -3.446) 3.551 25.462 ( -0.678 -0.678 -3.630) 3.754 27.634 ( -0.001 -0.001 2.536) 2.536 27.635 ( -0.008 -0.008 2.532) 2.532 27.715 ( 0.097 0.097 2.397) 2.401 27.717 ( -0.017 -0.017 2.409) 2.409 28.358 ( 0.029 0.029 -2.357) 2.357 28.359 ( 0.004 0.004 -2.386) 2.386 28.463 ( 0.240 0.240 -2.383) 2.407 28.469 ( -0.339 -0.339 -2.489) 2.535 43.259 ( 4.160 4.160 1.287) 6.022 43.344 ( -3.060 -3.060 3.267) 5.422 44.000 ( 7.435 7.435 -9.781) 14.361 44.176 ( -8.387 -8.387 -10.415) 15.784 51.891 ( -0.619 -0.619 -7.515) 7.566 51.915 ( -2.779 -2.779 -7.134) 8.145 52.459 ( 3.924 3.924 2.004) 5.900 52.486 ( 1.467 1.467 2.006) 2.885 53.956 ( 0.424 0.424 -4.152) 4.195 53.961 ( 0.014 0.014 -4.118) 4.118 54.128 ( 0.074 0.074 6.803) 6.804 54.129 ( 0.009 0.009 6.569) 6.569 54.416 ( 0.591 0.591 -2.869) 2.989 54.449 ( -2.337 -2.337 -3.235) 4.625 55.107 ( 1.291 1.291 3.979) 4.378 55.126 ( -0.273 -0.273 3.633) 3.654 56.891 ( 0.135 0.135 -5.225) 5.228 56.893 ( -0.042 -0.042 -5.028) 5.028 56.981 ( 0.586 0.586 -4.195) 4.276 56.991 ( -0.310 -0.310 -4.516) 4.538 60.341 ( 0.863 0.863 20.926) 20.961 60.356 ( -0.169 -0.169 20.832) 20.834 60.405 ( 0.448 0.448 20.564) 20.574 60.432 ( -1.662 -1.662 20.036) 20.174 61.994 ( 0.224 0.224 -7.350) 7.357 62.000 ( -0.326 -0.326 -7.201) 7.215 62.047 ( 0.241 0.241 -5.583) 5.594 62.053 ( -0.327 -0.327 -5.403) 5.423 ======================= Grid point 100 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 0.000 10.945) 10.945 2.046 ( 0.000 0.000 24.978) 24.978 2.046 ( 0.000 0.000 24.978) 24.978 2.338 ( 0.000 0.000 -7.075) 7.075 2.363 ( 0.000 -0.000 7.707) 7.707 2.613 ( 0.000 0.000 0.250) 0.250 2.613 ( -0.000 -0.000 0.250) 0.250 2.689 ( 0.000 0.000 -5.249) 5.249 2.814 ( 0.000 0.000 0.256) 0.256 2.814 ( 0.000 0.000 0.256) 0.256 2.933 ( 0.000 0.000 14.778) 14.778 3.202 ( 0.000 0.000 5.313) 5.313 3.202 ( -0.000 -0.000 5.313) 5.313 3.289 ( 0.000 0.000 -16.662) 16.662 3.289 ( 0.000 0.000 -16.662) 16.662 3.438 ( -0.000 -0.000 8.984) 8.984 3.453 ( -0.000 -0.000 -13.138) 13.138 3.511 ( 0.000 0.000 -5.496) 5.496 3.511 ( 0.000 0.000 -5.496) 5.496 3.564 ( 0.000 0.000 3.488) 3.488 3.752 ( 0.000 0.000 17.211) 17.211 3.814 ( 0.000 -0.000 -2.965) 2.965 3.814 ( 0.000 0.000 -2.965) 2.965 4.030 ( 0.000 -0.000 6.612) 6.612 4.087 ( -0.000 -0.000 5.614) 5.614 4.266 ( 0.000 0.000 -4.524) 4.524 4.277 ( -0.000 -0.000 -1.833) 1.833 4.277 ( -0.000 -0.000 -1.833) 1.833 4.541 ( 0.000 0.000 -14.953) 14.953 4.584 ( 0.000 0.000 -15.085) 15.085 4.605 ( 0.000 0.000 -1.527) 1.527 4.774 ( 0.000 0.000 -7.082) 7.082 4.902 ( 0.000 0.000 5.482) 5.482 4.902 ( 0.000 0.000 5.482) 5.482 5.055 ( -0.000 0.000 2.004) 2.004 5.216 ( -0.000 0.000 -4.520) 4.520 5.263 ( 0.000 0.000 1.668) 1.668 5.315 ( 0.000 -0.000 -5.903) 5.903 5.315 ( 0.000 -0.000 -5.903) 5.903 5.382 ( 0.000 0.000 -4.021) 4.021 6.015 ( 0.000 0.000 6.922) 6.922 6.277 ( 0.000 0.000 -5.804) 5.804 6.340 ( 0.000 0.000 4.331) 4.331 6.340 ( 0.000 0.000 4.331) 4.331 6.495 ( 0.000 0.000 -4.210) 4.210 6.495 ( 0.000 0.000 -4.210) 4.210 7.060 ( 0.000 0.000 6.691) 6.691 7.334 ( 0.000 0.000 -7.971) 7.971 11.075 ( 0.000 0.000 9.390) 9.390 11.187 ( 0.000 0.000 5.999) 5.999 11.187 ( 0.000 0.000 5.999) 5.999 11.231 ( 0.000 0.000 1.694) 1.694 12.199 ( 0.000 0.000 3.794) 3.794 12.199 ( 0.000 -0.000 3.794) 3.794 12.330 ( -0.000 -0.000 7.484) 7.484 12.495 ( -0.000 -0.000 -1.480) 1.480 14.939 ( -0.000 -0.000 1.084) 1.084 15.049 ( 0.000 0.000 -4.006) 4.006 15.072 ( 0.000 0.000 -1.657) 1.657 15.072 ( 0.000 0.000 -1.657) 1.657 18.665 ( 0.000 -0.000 0.964) 0.964 18.725 ( 0.000 0.000 -0.880) 0.880 18.725 ( 0.000 -0.000 -0.880) 0.880 18.738 ( 0.000 -0.000 -2.382) 2.382 18.951 ( 0.000 0.000 0.981) 0.981 18.955 ( 0.000 0.000 0.690) 0.690 18.976 ( 0.000 0.000 0.993) 0.993 18.976 ( 0.000 0.000 0.993) 0.993 19.560 ( 0.000 0.000 0.415) 0.415 19.560 ( 0.000 0.000 0.415) 0.415 19.574 ( 0.000 -0.000 0.882) 0.882 19.591 ( 0.000 0.000 0.013) 0.013 21.475 ( 0.000 0.000 12.589) 12.589 21.475 ( 0.000 0.000 12.589) 12.589 21.664 ( 0.000 0.000 14.512) 14.512 21.836 ( 0.000 0.000 3.875) 3.875 21.911 ( -0.000 -0.000 -4.155) 4.155 21.911 ( 0.000 -0.000 -4.155) 4.155 22.106 ( -0.000 -0.000 -0.286) 0.286 22.206 ( 0.000 0.000 -6.963) 6.963 22.592 ( 0.000 -0.000 0.846) 0.846 22.635 ( 0.000 0.000 -1.049) 1.049 22.659 ( 0.000 0.000 -0.033) 0.033 22.659 ( 0.000 0.000 -0.033) 0.033 23.354 ( 0.000 -0.000 -0.627) 0.627 23.354 ( 0.000 0.000 -0.627) 0.627 23.430 ( 0.000 0.000 0.798) 0.798 23.512 ( 0.000 0.000 -3.831) 3.831 24.813 ( 0.000 -0.000 -0.067) 0.067 24.813 ( 0.000 0.000 -0.067) 0.067 24.852 ( 0.000 0.000 0.277) 0.277 24.858 ( 0.000 0.000 -0.102) 0.102 25.328 ( -0.000 -0.000 -0.826) 0.826 25.328 ( -0.000 -0.000 -0.826) 0.826 25.340 ( -0.000 -0.000 1.736) 1.736 25.440 ( 0.000 -0.000 -3.500) 3.500 27.676 ( 0.000 0.000 1.534) 1.534 27.676 ( -0.000 -0.000 1.534) 1.534 27.735 ( 0.000 0.000 1.449) 1.449 27.747 ( 0.000 0.000 1.018) 1.018 28.318 ( 0.000 -0.000 -1.606) 1.606 28.318 ( -0.000 -0.000 -1.606) 1.606 28.417 ( 0.000 0.000 -0.671) 0.671 28.452 ( 0.000 -0.000 -2.286) 2.286 42.943 ( 0.000 0.000 -1.106) 1.106 42.943 ( 0.000 -0.000 -1.106) 1.106 43.907 ( 0.000 0.000 16.702) 16.702 44.595 ( -0.000 -0.000 -18.130) 18.130 52.032 ( 0.000 0.000 -0.305) 0.305 52.032 ( -0.000 0.000 -0.305) 0.305 52.223 ( 0.000 0.000 0.268) 0.268 52.255 ( 0.000 0.000 -1.272) 1.272 53.891 ( 0.000 0.000 -2.885) 2.885 53.891 ( 0.000 0.000 -2.885) 2.885 54.244 ( 0.000 0.000 4.496) 4.496 54.244 ( 0.000 0.000 4.496) 4.496 54.279 ( 0.000 -0.000 2.461) 2.461 54.448 ( 0.000 -0.000 -5.597) 5.597 55.184 ( 0.000 -0.000 1.613) 1.613 55.211 ( 0.000 -0.000 0.202) 0.202 56.810 ( 0.000 0.000 -2.333) 2.333 56.810 ( 0.000 0.000 -2.333) 2.333 56.891 ( 0.000 0.000 -1.025) 1.025 56.934 ( 0.000 -0.000 -3.491) 3.491 60.712 ( 0.000 0.000 16.778) 16.778 60.727 ( 0.000 0.000 15.353) 15.353 60.727 ( -0.000 0.000 15.353) 15.353 60.816 ( 0.000 0.000 10.165) 10.165 61.866 ( 0.000 0.000 -5.232) 5.232 61.888 ( -0.000 0.000 -6.821) 6.821 61.888 ( -0.000 -0.000 -6.821) 6.821 61.957 ( 0.000 0.000 -7.694) 7.694 ======================= Grid point 101 (26/36) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 5.094 0.000 11.707) 12.767 2.087 ( 3.029 0.000 22.575) 22.778 2.184 ( 10.580 0.000 18.788) 21.562 2.340 ( 0.952 0.000 -3.676) 3.797 2.366 ( 0.864 0.000 7.275) 7.326 2.591 ( -1.174 0.000 1.724) 2.085 2.597 ( -1.240 0.000 0.735) 1.442 2.624 ( -4.639 0.000 -4.150) 6.225 2.711 ( -6.283 0.000 5.369) 8.264 2.851 ( 2.495 0.000 -1.267) 2.798 3.021 ( 3.505 0.000 3.384) 4.872 3.141 ( -6.619 0.000 2.294) 7.005 3.218 ( 1.778 0.000 0.338) 1.810 3.240 ( -2.029 0.000 -14.023) 14.169 3.277 ( -4.940 0.000 1.709) 5.227 3.345 ( 0.773 0.000 1.168) 1.400 3.426 ( -1.857 0.000 -2.243) 2.912 3.540 ( 0.329 0.000 -4.655) 4.667 3.614 ( 2.688 0.000 -0.857) 2.822 3.625 ( 4.314 0.000 -1.059) 4.442 3.711 ( -5.233 0.000 -3.191) 6.129 3.740 ( -3.564 0.000 -0.003) 3.564 3.822 ( 5.094 0.000 7.101) 8.740 4.029 ( -1.965 0.000 -3.621) 4.120 4.087 ( -3.256 0.000 -4.507) 5.560 4.183 ( -3.956 0.000 -1.441) 4.211 4.203 ( -3.198 0.000 -2.592) 4.117 4.259 ( -3.606 0.000 -2.488) 4.381 4.524 ( -1.181 0.000 1.421) 1.847 4.594 ( -0.692 0.000 -4.484) 4.537 4.665 ( 7.577 0.000 -7.308) 10.527 4.788 ( 8.391 0.000 -8.110) 11.670 4.939 ( -5.347 0.000 4.026) 6.694 4.969 ( 1.750 0.000 5.343) 5.622 5.052 ( 0.735 0.000 -0.953) 1.204 5.140 ( -2.588 0.000 -3.682) 4.500 5.261 ( 1.879 0.000 0.148) 1.885 5.306 ( -4.297 0.000 -5.631) 7.083 5.402 ( 7.144 0.000 -2.014) 7.423 5.484 ( 7.619 0.000 -3.923) 8.570 5.887 ( -7.896 0.000 6.747) 10.386 6.187 ( -1.920 0.000 -8.633) 8.844 6.295 ( -6.478 0.000 4.892) 8.118 6.442 ( 3.012 0.000 1.781) 3.499 6.527 ( 5.703 0.000 -2.651) 6.289 6.665 ( 12.063 0.000 -5.153) 13.117 7.013 ( -4.205 0.000 6.684) 7.897 7.281 ( -4.825 0.000 -7.791) 9.164 11.084 ( 0.824 0.000 8.995) 9.033 11.173 ( -1.187 0.000 5.995) 6.112 11.194 ( 0.643 0.000 5.684) 5.720 11.232 ( -0.034 0.000 2.453) 2.453 12.213 ( 1.246 0.000 4.105) 4.290 12.224 ( 2.258 0.000 3.554) 4.210 12.319 ( -1.028 0.000 7.087) 7.162 12.461 ( -2.960 0.000 -0.575) 3.015 14.943 ( 0.421 0.000 0.624) 0.753 15.024 ( -1.694 0.000 -2.831) 3.299 15.077 ( 0.361 0.000 -1.741) 1.778 15.085 ( 0.572 0.000 -2.407) 2.474 18.669 ( 0.346 0.000 0.641) 0.729 18.714 ( -0.753 0.000 -1.210) 1.425 18.730 ( 0.437 0.000 -0.826) 0.934 18.745 ( 0.328 0.000 -1.728) 1.758 18.951 ( -0.026 0.000 0.991) 0.991 18.955 ( -0.039 0.000 0.705) 0.707 18.975 ( -0.085 0.000 0.946) 0.950 18.975 ( -0.074 0.000 0.930) 0.933 19.561 ( 0.042 0.000 0.466) 0.467 19.563 ( 0.183 0.000 0.391) 0.432 19.572 ( -0.148 0.000 0.828) 0.841 19.587 ( -0.303 0.000 0.048) 0.307 21.482 ( 0.554 0.000 12.636) 12.648 21.482 ( 0.606 0.000 12.604) 12.618 21.657 ( -0.532 0.000 13.359) 13.370 21.769 ( -4.065 0.000 4.615) 6.150 21.922 ( 0.967 0.000 -3.423) 3.557 21.967 ( 2.759 0.000 -4.082) 4.927 22.091 ( -0.769 0.000 -0.236) 0.804 22.193 ( -1.133 0.000 -6.678) 6.773 22.595 ( 0.257 0.000 0.702) 0.747 22.628 ( -0.547 0.000 -0.692) 0.882 22.663 ( 0.278 0.000 -0.078) 0.289 22.664 ( 0.330 0.000 -0.210) 0.391 23.357 ( 0.337 0.000 -0.573) 0.665 23.361 ( 0.549 0.000 -0.767) 0.943 23.430 ( 0.134 0.000 0.502) 0.520 23.500 ( -1.070 0.000 -3.431) 3.594 24.814 ( 0.042 0.000 -0.035) 0.055 24.814 ( 0.089 0.000 -0.076) 0.118 24.853 ( 0.101 0.000 0.192) 0.217 24.858 ( -0.008 0.000 -0.110) 0.110 25.330 ( 0.155 0.000 -0.577) 0.597 25.340 ( -0.063 0.000 1.487) 1.488 25.343 ( 1.301 0.000 -1.350) 1.875 25.432 ( -0.737 0.000 -3.385) 3.465 27.676 ( -0.016 0.000 1.543) 1.543 27.676 ( -0.001 0.000 1.529) 1.529 27.739 ( 0.329 0.000 1.387) 1.426 27.748 ( 0.099 0.000 1.063) 1.068 28.318 ( 0.022 0.000 -1.574) 1.574 28.318 ( 0.050 0.000 -1.587) 1.587 28.418 ( 0.091 0.000 -0.837) 0.841 28.447 ( -0.463 0.000 -2.177) 2.225 43.030 ( 7.832 0.000 0.504) 7.848 43.111 ( 14.485 0.000 -4.030) 15.036 43.832 ( -6.480 0.000 14.827) 16.181 44.458 ( -12.420 0.000 -16.996) 21.050 52.016 ( -1.090 0.000 -0.616) 1.252 52.024 ( -0.673 0.000 -1.113) 1.301 52.243 ( 1.684 0.000 0.776) 1.854 52.274 ( 1.389 0.000 -0.792) 1.599 53.885 ( -0.430 0.000 -2.700) 2.734 53.887 ( -0.346 0.000 -2.835) 2.856 54.245 ( 0.045 0.000 4.518) 4.519 54.245 ( 0.047 0.000 4.501) 4.502 54.315 ( 3.053 0.000 1.212) 3.285 54.451 ( 0.066 0.000 -5.139) 5.139 55.165 ( -1.471 0.000 1.942) 2.436 55.188 ( -1.955 0.000 0.746) 2.092 56.814 ( 0.359 0.000 -2.305) 2.333 56.817 ( 0.502 0.000 -2.435) 2.486 56.894 ( 0.295 0.000 -1.212) 1.248 56.930 ( -0.342 0.000 -3.297) 3.315 60.704 ( -0.370 0.000 16.485) 16.489 60.721 ( -0.548 0.000 15.466) 15.475 60.743 ( 1.100 0.000 15.225) 15.265 60.810 ( -0.557 0.000 10.974) 10.989 61.853 ( -0.656 0.000 -6.245) 6.279 61.879 ( -0.839 0.000 -7.128) 7.177 61.905 ( 1.065 0.000 -6.109) 6.202 61.952 ( -0.398 0.000 -7.150) 7.161 ======================= Grid point 102 (27/36) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 1.992 0.000 14.888) 15.020 2.159 ( 1.632 0.000 9.197) 9.341 2.348 ( 2.723 0.000 13.587) 13.857 2.366 ( 0.515 0.000 4.535) 4.564 2.437 ( 5.306 0.000 4.718) 7.101 2.534 ( -3.800 0.000 -2.541) 4.571 2.578 ( -0.024 0.000 3.572) 3.572 2.603 ( -1.954 0.000 6.307) 6.602 2.700 ( 11.649 0.000 1.401) 11.733 2.888 ( -0.103 0.000 -3.200) 3.202 3.003 ( -4.682 0.000 -4.224) 6.305 3.007 ( -2.850 0.000 -5.972) 6.617 3.093 ( -7.473 0.000 6.551) 9.938 3.111 ( -9.505 0.000 0.332) 9.511 3.302 ( 4.294 0.000 5.126) 6.687 3.377 ( -2.567 0.000 5.587) 6.149 3.489 ( 7.826 0.000 -1.540) 7.976 3.536 ( 1.000 0.000 -7.731) 7.796 3.641 ( 0.706 0.000 -1.790) 1.924 3.654 ( 0.697 0.000 0.089) 0.703 3.682 ( -2.561 0.000 -2.078) 3.298 3.686 ( 0.249 0.000 -2.220) 2.233 3.879 ( -1.278 0.000 -8.154) 8.254 3.930 ( -6.321 0.000 -11.402) 13.037 4.066 ( 4.367 0.000 -3.091) 5.350 4.133 ( -2.289 0.000 0.490) 2.341 4.146 ( -0.444 0.000 -0.433) 0.620 4.188 ( -3.307 0.000 -2.339) 4.050 4.602 ( 7.024 0.000 3.190) 7.714 4.638 ( 4.780 0.000 -1.194) 4.927 4.741 ( -2.256 0.000 -1.773) 2.869 4.777 ( -8.595 0.000 2.790) 9.036 4.955 ( -0.152 0.000 -1.147) 1.157 4.979 ( 2.601 0.000 -2.508) 3.613 5.021 ( 2.960 0.000 -4.712) 5.564 5.135 ( -2.150 0.000 -3.771) 4.341 5.237 ( 1.405 0.000 0.368) 1.453 5.300 ( -0.647 0.000 0.631) 0.904 5.544 ( 3.222 0.000 1.351) 3.493 5.568 ( 0.417 0.000 0.476) 0.632 5.825 ( 5.419 0.000 5.366) 7.627 6.049 ( -11.953 0.000 0.545) 11.965 6.291 ( 6.329 0.000 -8.751) 10.800 6.414 ( -4.073 0.000 -8.750) 9.651 6.708 ( 8.922 0.000 4.849) 10.155 6.875 ( -3.967 0.000 3.779) 5.479 6.933 ( 7.865 0.000 -3.466) 8.595 7.136 ( -8.547 0.000 -7.070) 11.092 11.109 ( 1.427 0.000 7.969) 8.095 11.142 ( -1.595 0.000 6.753) 6.938 11.211 ( 0.836 0.000 4.822) 4.894 11.226 ( -0.517 0.000 3.655) 3.691 12.247 ( 1.846 0.000 4.946) 5.280 12.281 ( 0.342 0.000 4.722) 4.735 12.298 ( 1.773 0.000 4.118) 4.484 12.381 ( -4.237 0.000 1.260) 4.421 14.959 ( 1.050 0.000 -0.489) 1.158 14.987 ( -1.615 0.000 -1.742) 2.375 15.085 ( 0.396 0.000 -1.997) 2.035 15.091 ( -0.042 0.000 -2.320) 2.321 18.680 ( 0.674 0.000 -0.091) 0.680 18.696 ( -0.830 0.000 -0.837) 1.179 18.740 ( 0.484 0.000 -0.873) 0.998 18.747 ( -0.117 0.000 -1.206) 1.212 18.951 ( 0.080 0.000 0.937) 0.940 18.953 ( -0.100 0.000 0.799) 0.805 18.973 ( -0.049 0.000 0.848) 0.850 18.973 ( -0.061 0.000 0.833) 0.835 19.563 ( 0.122 0.000 0.587) 0.600 19.565 ( -0.070 0.000 0.619) 0.623 19.571 ( 0.244 0.000 0.390) 0.460 19.579 ( -0.436 0.000 0.150) 0.461 21.494 ( 0.461 0.000 12.755) 12.764 21.495 ( 0.406 0.000 12.713) 12.719 21.654 ( 0.614 0.000 10.778) 10.795 21.692 ( -2.890 0.000 7.668) 8.194 21.949 ( 1.535 0.000 -2.407) 2.854 21.982 ( -1.163 0.000 -2.716) 2.954 22.108 ( 2.235 0.000 -3.238) 3.935 22.158 ( -2.126 0.000 -5.648) 6.035 22.603 ( 0.493 0.000 0.321) 0.588 22.615 ( -0.611 0.000 -0.180) 0.637 22.668 ( 0.189 0.000 -0.168) 0.253 22.669 ( 0.109 0.000 -0.247) 0.270 23.366 ( 0.378 0.000 -0.506) 0.632 23.370 ( 0.133 0.000 -0.683) 0.696 23.441 ( 1.002 0.000 -0.719) 1.233 23.470 ( -1.544 0.000 -2.321) 2.787 24.815 ( 0.057 0.000 0.000) 0.057 24.816 ( -0.002 0.000 -0.032) 0.032 24.856 ( 0.130 0.000 0.015) 0.131 24.858 ( -0.062 0.000 -0.093) 0.112 25.334 ( 0.195 0.000 0.066) 0.206 25.337 ( -0.140 0.000 0.853) 0.865 25.377 ( 1.675 0.000 -2.320) 2.861 25.410 ( -1.349 0.000 -3.019) 3.307 27.676 ( -0.001 0.000 1.549) 1.549 27.676 ( -0.019 0.000 1.538) 1.538 27.746 ( 0.288 0.000 1.270) 1.302 27.750 ( -0.023 0.000 1.162) 1.162 28.319 ( 0.036 0.000 -1.521) 1.521 28.319 ( 0.003 0.000 -1.531) 1.531 28.423 ( 0.406 0.000 -1.305) 1.366 28.434 ( -0.627 0.000 -1.834) 1.939 43.248 ( 11.550 0.000 4.032) 12.234 43.407 ( 4.116 0.000 -1.135) 4.269 43.741 ( 6.132 0.000 1.738) 6.374 44.101 ( -19.795 0.000 -13.328) 23.864 52.000 ( -0.211 0.000 -1.204) 1.222 52.007 ( -0.739 0.000 -1.640) 1.799 52.281 ( 1.488 0.000 0.806) 1.693 52.295 ( 0.260 0.000 0.064) 0.268 53.878 ( -0.152 0.000 -2.580) 2.584 53.879 ( -0.258 0.000 -2.691) 2.703 54.246 ( 0.027 0.000 4.512) 4.512 54.246 ( 0.029 0.000 4.513) 4.513 54.388 ( 3.302 0.000 -1.372) 3.576 54.440 ( -1.364 0.000 -3.738) 3.979 55.138 ( -0.698 0.000 2.304) 2.407 55.146 ( -1.468 0.000 1.825) 2.342 56.823 ( 0.321 0.000 -2.303) 2.326 56.825 ( 0.152 0.000 -2.425) 2.430 56.904 ( 0.676 0.000 -1.890) 2.007 56.920 ( -0.660 0.000 -2.735) 2.813 60.701 ( 0.097 0.000 16.224) 16.224 60.708 ( -0.531 0.000 15.822) 15.831 60.768 ( 1.223 0.000 14.224) 14.276 60.793 ( -1.015 0.000 12.662) 12.702 61.847 ( 0.127 0.000 -7.013) 7.014 61.859 ( -0.888 0.000 -7.352) 7.406 61.926 ( 0.862 0.000 -6.025) 6.087 61.942 ( -0.594 0.000 -6.383) 6.410 ======================= Grid point 106 (28/36) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 4.738 4.738 11.967) 13.715 2.193 ( 5.195 5.195 17.629) 19.099 2.249 ( 7.614 7.614 16.848) 19.996 2.341 ( 0.878 0.878 -0.983) 1.583 2.374 ( 1.200 1.200 7.287) 7.481 2.545 ( -2.692 -2.692 2.099) 4.347 2.592 ( -1.088 -1.088 0.998) 1.834 2.596 ( -2.837 -2.837 -2.700) 4.836 2.697 ( -2.129 -2.129 6.443) 7.112 2.814 ( -0.568 -0.568 -2.555) 2.678 3.049 ( 0.407 0.407 -3.230) 3.280 3.118 ( -3.486 -3.486 1.292) 5.096 3.145 ( -2.608 -2.608 -2.802) 4.632 3.163 ( -7.351 -7.351 10.744) 14.951 3.278 ( -0.952 -0.952 -12.182) 12.257 3.335 ( 3.999 3.999 -1.943) 5.980 3.472 ( 2.375 2.375 -8.233) 8.892 3.511 ( -4.960 -4.960 3.044) 7.647 3.601 ( -1.470 -1.470 0.155) 2.085 3.689 ( 2.725 2.725 -5.024) 6.332 3.700 ( 1.424 1.424 4.237) 4.691 3.848 ( 6.526 6.526 0.954) 9.278 3.898 ( 3.707 3.707 2.763) 5.926 3.899 ( -4.414 -4.414 -5.755) 8.490 3.946 ( -5.521 -5.521 -6.900) 10.420 4.209 ( 0.438 0.438 -1.745) 1.851 4.337 ( 2.212 2.212 -0.976) 3.276 4.349 ( 1.581 1.581 -1.852) 2.903 4.406 ( -6.280 -6.280 0.324) 8.887 4.439 ( -1.687 -1.687 -7.484) 7.855 4.642 ( -0.435 -0.435 -4.049) 4.095 4.797 ( -2.149 -2.149 2.342) 3.837 4.825 ( -10.329 -10.329 -0.431) 14.613 4.994 ( -5.111 -5.111 0.188) 7.230 5.025 ( 7.252 7.252 -1.925) 10.435 5.276 ( -1.047 -1.047 -3.939) 4.209 5.331 ( 11.342 11.342 -0.157) 16.041 5.332 ( 4.796 4.796 0.696) 6.818 5.481 ( 3.716 3.716 -2.219) 5.704 5.545 ( 5.309 5.309 -2.949) 8.066 5.767 ( -7.735 -7.735 6.789) 12.875 6.167 ( -2.637 -2.637 -10.965) 11.582 6.326 ( -0.770 -0.770 4.793) 4.915 6.417 ( 1.685 1.685 3.517) 4.248 6.522 ( 1.099 1.099 -6.702) 6.880 6.801 ( 9.000 9.000 -4.026) 13.350 6.957 ( -4.811 -4.811 5.603) 8.814 7.250 ( -2.912 -2.912 -6.860) 8.001 11.092 ( 0.709 0.709 8.578) 8.636 11.164 ( -0.811 -0.811 5.671) 5.786 11.198 ( 0.440 0.440 5.922) 5.954 11.231 ( -0.106 -0.106 3.011) 3.014 12.212 ( 0.536 0.536 3.855) 3.929 12.255 ( 2.225 2.225 3.880) 4.995 12.307 ( -1.035 -1.035 6.527) 6.689 12.437 ( -2.113 -2.113 0.346) 3.008 14.946 ( 0.310 0.310 0.216) 0.488 15.009 ( -1.182 -1.182 -2.551) 3.050 15.079 ( 0.254 0.254 -1.722) 1.759 15.090 ( 0.247 0.247 -2.411) 2.436 18.671 ( 0.227 0.227 0.338) 0.466 18.705 ( -0.614 -0.614 -1.150) 1.441 18.737 ( 0.480 0.480 -0.834) 1.076 18.748 ( 0.243 0.243 -1.442) 1.482 18.950 ( -0.049 -0.049 1.006) 1.008 18.954 ( -0.071 -0.071 0.737) 0.744 18.974 ( -0.079 -0.079 0.877) 0.885 18.974 ( -0.067 -0.067 0.909) 0.914 19.559 ( -0.034 -0.034 0.437) 0.439 19.566 ( 0.230 0.230 0.427) 0.536 19.569 ( -0.191 -0.191 0.759) 0.806 19.585 ( -0.206 -0.206 0.120) 0.315 21.486 ( 0.419 0.419 12.581) 12.595 21.489 ( 0.494 0.494 12.678) 12.697 21.651 ( -0.371 -0.371 12.635) 12.646 21.738 ( -2.540 -2.540 6.188) 7.155 21.907 ( -0.172 -0.172 -4.163) 4.171 21.990 ( -0.020 -0.020 -3.246) 3.246 22.092 ( 1.044 1.044 -1.346) 1.998 22.193 ( -0.207 -0.207 -5.967) 5.974 22.597 ( 0.184 0.184 0.561) 0.619 22.622 ( -0.426 -0.426 -0.536) 0.807 22.666 ( 0.205 0.205 -0.266) 0.394 22.667 ( 0.236 0.236 -0.033) 0.335 23.363 ( 0.399 0.399 -0.727) 0.920 23.365 ( 0.459 0.459 -0.654) 0.922 23.431 ( 0.100 0.100 0.244) 0.282 23.489 ( -0.924 -0.924 -3.082) 3.348 24.814 ( 0.035 0.035 -0.007) 0.049 24.816 ( 0.075 0.075 -0.116) 0.157 24.853 ( 0.058 0.058 0.140) 0.162 24.858 ( -0.024 -0.024 -0.111) 0.116 25.329 ( 0.048 0.048 -0.726) 0.729 25.339 ( -0.086 -0.086 1.196) 1.202 25.357 ( 1.092 1.092 -1.389) 2.077 25.426 ( -0.560 -0.560 -3.204) 3.300 27.676 ( -0.019 -0.019 1.529) 1.529 27.676 ( -0.024 -0.024 1.540) 1.540 27.742 ( 0.274 0.274 1.357) 1.411 27.750 ( 0.105 0.105 1.107) 1.117 28.318 ( 0.012 0.012 -1.597) 1.597 28.319 ( 0.025 0.025 -1.538) 1.539 28.418 ( 0.085 0.085 -0.975) 0.983 28.442 ( -0.382 -0.382 -2.081) 2.150 43.049 ( 4.668 4.668 -0.461) 6.618 43.309 ( 14.386 14.386 -3.895) 20.714 43.747 ( -7.335 -7.335 12.332) 16.115 44.361 ( -8.981 -8.981 -14.751) 19.466 51.896 ( -3.791 -3.791 -2.025) 5.731 52.075 ( -6.583 -6.583 -1.185) 9.384 52.213 ( 7.215 7.215 0.452) 10.214 52.386 ( 4.203 4.203 0.525) 5.967 53.879 ( -0.228 -0.228 -2.610) 2.630 53.888 ( -0.086 -0.086 -2.894) 2.896 54.244 ( -0.004 -0.004 4.478) 4.478 54.246 ( 0.026 0.026 4.521) 4.521 54.331 ( 1.488 1.488 0.307) 2.127 54.449 ( -0.382 -0.382 -4.575) 4.607 55.147 ( -0.920 -0.920 1.974) 2.364 55.190 ( -0.378 -0.378 1.353) 1.455 56.812 ( 0.067 0.067 -2.429) 2.431 56.824 ( 0.268 0.268 -2.384) 2.414 56.898 ( 0.382 0.382 -1.427) 1.525 56.928 ( -0.202 -0.202 -3.129) 3.142 60.700 ( -0.138 -0.138 16.325) 16.326 60.732 ( -0.084 -0.084 15.603) 15.604 60.738 ( 0.438 0.438 14.989) 15.002 60.804 ( -0.550 -0.550 11.657) 11.683 61.844 ( -0.464 -0.464 -6.956) 6.987 61.882 ( -0.699 -0.699 -6.742) 6.814 61.904 ( 0.617 0.617 -6.476) 6.534 61.951 ( -0.184 -0.184 -6.564) 6.569 ======================= Grid point 107 (29/36) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 3.862 6.101 9.548) 11.971 2.262 ( 1.007 7.323 9.412) 11.968 2.359 ( 1.285 0.232 4.392) 4.582 2.375 ( -0.198 2.848 12.149) 12.479 2.428 ( 3.800 0.335 6.016) 7.124 2.506 ( -3.568 -2.374 -0.112) 4.287 2.532 ( 0.996 -2.452 3.751) 4.591 2.590 ( -1.591 -1.094 6.310) 6.599 2.750 ( 10.989 -0.809 2.097) 11.216 2.824 ( 2.010 -4.872 -2.203) 5.712 2.940 ( -7.212 0.458 1.373) 7.356 3.030 ( -8.588 0.636 -6.612) 10.857 3.072 ( -0.369 -1.057 4.167) 4.315 3.109 ( -1.599 -1.178 2.551) 3.233 3.293 ( 0.566 -5.960 2.443) 6.466 3.339 ( -2.091 -2.257 -3.182) 4.426 3.426 ( 0.514 -1.443 -3.054) 3.417 3.493 ( -3.246 -1.807 -7.105) 8.018 3.583 ( 1.567 -2.788 -3.854) 5.008 3.657 ( -4.546 0.173 -2.334) 5.113 3.748 ( 3.307 3.853 -3.297) 6.054 3.796 ( -1.011 5.648 -2.887) 6.423 3.886 ( 2.288 1.472 -8.448) 8.875 3.958 ( -1.351 2.509 -0.176) 2.855 4.104 ( 9.152 2.969 1.775) 9.784 4.203 ( -1.346 5.288 2.382) 5.954 4.211 ( -1.091 7.428 -5.222) 9.145 4.308 ( -3.872 2.338 0.094) 4.524 4.406 ( 1.411 -5.670 -0.987) 5.926 4.541 ( 4.496 -10.597 -4.749) 12.452 4.576 ( -8.281 -11.635 0.397) 14.287 4.680 ( -3.920 -9.517 -0.391) 10.300 4.756 ( 3.930 -6.233 -1.210) 7.467 4.868 ( -6.059 -3.872 0.437) 7.204 5.205 ( 7.234 9.182 -0.477) 11.700 5.272 ( 0.685 2.825 -1.499) 3.270 5.389 ( 1.169 9.550 1.927) 9.813 5.444 ( -0.445 8.533 0.143) 8.546 5.549 ( -0.910 -2.255 2.423) 3.433 5.577 ( -2.066 0.508 -0.380) 2.162 5.768 ( 11.536 0.225 3.187) 11.970 6.035 ( -11.118 1.684 -3.489) 11.774 6.338 ( 4.905 1.831 -5.644) 7.699 6.434 ( -2.517 1.053 -5.800) 6.409 6.623 ( 7.603 -5.551 -0.283) 9.418 6.796 ( -7.930 -6.927 2.951) 10.935 7.009 ( 8.103 5.556 -3.631) 10.475 7.158 ( -5.724 1.300 -5.145) 7.806 11.113 ( 1.217 0.380 7.509) 7.616 11.141 ( -1.311 -0.132 6.284) 6.420 11.211 ( 0.728 0.071 5.319) 5.369 11.225 ( -0.491 -0.109 4.158) 4.188 12.236 ( 1.592 -0.549 4.213) 4.537 12.273 ( -1.624 -0.989 5.192) 5.529 12.315 ( 2.857 1.475 3.640) 4.856 12.380 ( -3.048 -0.180 2.232) 3.782 14.958 ( 0.840 -0.011 -0.756) 1.130 14.981 ( -1.303 -0.512 -1.798) 2.279 15.086 ( 0.347 0.070 -1.895) 1.928 15.091 ( -0.114 0.029 -2.202) 2.205 18.679 ( 0.489 -0.061 -0.304) 0.578 18.691 ( -0.639 -0.386 -0.880) 1.155 18.746 ( 0.377 0.457 -0.807) 1.001 18.751 ( -0.026 0.297 -1.021) 1.064 18.950 ( 0.058 -0.101 0.967) 0.974 18.952 ( -0.119 -0.119 0.843) 0.859 18.972 ( -0.035 -0.060 0.806) 0.809 18.972 ( -0.061 -0.056 0.826) 0.830 19.560 ( 0.121 -0.128 0.490) 0.521 19.564 ( -0.236 -0.151 0.607) 0.669 19.572 ( 0.315 0.130 0.392) 0.520 19.579 ( -0.325 -0.012 0.266) 0.420 21.496 ( 0.447 0.228 12.641) 12.651 21.499 ( 0.251 0.262 12.715) 12.720 21.650 ( 0.540 -0.291 10.858) 10.876 21.682 ( -2.338 -0.906 8.534) 8.895 21.921 ( 1.340 -1.694 -3.554) 4.159 21.959 ( -2.046 -2.016 -2.832) 4.034 22.136 ( 2.368 2.176 -3.394) 4.675 22.177 ( -1.360 1.247 -4.793) 5.136 22.603 ( 0.380 0.002 0.210) 0.435 22.612 ( -0.487 -0.219 -0.201) 0.571 22.670 ( 0.134 0.129 -0.162) 0.247 22.671 ( 0.091 0.113 -0.112) 0.184 23.372 ( 0.339 0.477 -0.593) 0.833 23.374 ( 0.195 0.406 -0.663) 0.801 23.439 ( 0.819 -0.148 -0.762) 1.128 23.464 ( -1.332 -0.566 -2.123) 2.569 24.815 ( 0.083 0.036 -0.018) 0.092 24.816 ( -0.035 0.055 -0.084) 0.106 24.855 ( 0.100 -0.020 0.010) 0.102 24.857 ( -0.068 -0.045 -0.087) 0.119 25.332 ( 0.188 -0.103 -0.319) 0.384 25.336 ( -0.165 -0.122 0.470) 0.513 25.384 ( 1.299 0.558 -2.006) 2.454 25.409 ( -1.031 -0.081 -2.707) 2.898 27.676 ( -0.007 -0.026 1.535) 1.535 27.676 ( -0.018 -0.036 1.534) 1.535 27.748 ( 0.241 0.168 1.289) 1.323 27.751 ( -0.014 0.117 1.202) 1.208 28.319 ( 0.030 -0.006 -1.559) 1.559 28.319 ( -0.009 -0.008 -1.524) 1.524 28.423 ( 0.337 0.004 -1.355) 1.396 28.432 ( -0.515 -0.186 -1.789) 1.871 43.227 ( 11.117 0.040 1.492) 11.217 43.470 ( -8.960 1.622 3.742) 9.844 43.732 ( 15.227 1.631 -3.493) 15.708 44.091 ( -15.776 -1.599 -10.063) 18.780 51.867 ( 1.122 -6.326 -2.632) 6.943 51.938 ( -5.276 -6.910 -2.193) 8.967 52.360 ( 5.428 7.289 0.886) 9.131 52.426 ( -0.625 6.590 0.913) 6.682 53.878 ( 0.125 0.124 -2.648) 2.653 53.883 ( -0.316 0.224 -2.809) 2.836 54.245 ( 0.043 -0.051 4.482) 4.483 54.246 ( -0.035 -0.039 4.503) 4.503 54.375 ( 2.490 -0.863 -1.523) 3.043 54.425 ( -1.893 -1.346 -3.271) 4.012 55.143 ( 0.684 0.958 2.277) 2.563 55.169 ( -1.386 1.302 2.026) 2.779 56.817 ( 0.379 -0.275 -2.465) 2.509 56.824 ( -0.209 -0.182 -2.419) 2.435 56.909 ( 0.617 0.388 -2.011) 2.139 56.921 ( -0.470 0.117 -2.662) 2.706 60.702 ( 0.409 0.237 16.111) 16.118 60.716 ( -0.820 0.579 15.754) 15.786 60.762 ( 1.251 -0.533 14.328) 14.393 60.787 ( -1.043 -0.555 13.051) 13.104 61.842 ( 0.338 -0.279 -7.416) 7.429 61.858 ( -1.127 -0.219 -7.337) 7.426 61.924 ( 1.011 -0.031 -6.104) 6.188 61.942 ( -0.660 -0.057 -6.073) 6.109 ======================= Grid point 112 (30/36) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 5.068 5.068 3.970) 8.193 2.365 ( 2.756 2.756 5.764) 6.958 2.388 ( 1.960 1.960 3.434) 4.413 2.411 ( -0.002 -0.002 4.714) 4.714 2.437 ( -1.653 -1.653 2.223) 3.226 2.496 ( -1.449 -1.449 6.242) 6.569 2.502 ( -2.049 -2.049 1.893) 3.461 2.548 ( -0.946 -0.946 10.757) 10.840 2.742 ( 3.531 3.531 10.209) 11.365 2.754 ( 1.577 1.577 4.742) 5.240 2.998 ( 0.168 0.168 6.097) 6.102 3.021 ( -1.391 -1.391 -3.195) 3.753 3.079 ( -0.904 -0.904 -3.862) 4.069 3.091 ( 3.251 3.251 -2.073) 5.043 3.139 ( -4.753 -4.753 2.513) 7.176 3.239 ( -7.131 -7.131 0.397) 10.092 3.397 ( 0.409 0.409 -6.851) 6.875 3.444 ( -3.287 -3.287 -5.869) 7.487 3.585 ( 2.533 2.533 -11.274) 11.830 3.661 ( -3.202 -3.202 -10.565) 11.494 3.787 ( 2.873 2.873 -6.480) 7.648 3.829 ( -0.539 -0.539 -10.306) 10.334 4.007 ( 7.375 7.375 0.382) 10.437 4.044 ( 3.210 3.210 8.594) 9.719 4.145 ( 1.081 1.081 2.730) 3.129 4.212 ( -7.619 -7.619 3.294) 11.267 4.274 ( -1.687 -1.687 -7.510) 7.880 4.282 ( 5.039 5.039 2.739) 7.634 4.380 ( -1.716 -1.716 -1.283) 2.745 4.419 ( -8.602 -8.602 0.709) 12.185 4.475 ( 2.576 2.576 -2.048) 4.180 4.486 ( -1.210 -1.210 0.833) 1.904 4.726 ( 2.135 2.135 -0.521) 3.064 4.779 ( -3.598 -3.598 -0.062) 5.088 5.296 ( 1.179 1.179 0.486) 1.737 5.387 ( 6.715 6.715 1.226) 9.575 5.406 ( -7.431 -7.431 3.932) 11.220 5.508 ( -1.873 -1.873 0.679) 2.735 5.508 ( 1.996 1.996 0.879) 2.957 5.560 ( -0.743 -0.743 -1.039) 1.478 5.953 ( 12.711 12.711 1.081) 18.009 6.143 ( 1.385 1.385 -5.958) 6.271 6.302 ( -0.141 -0.141 3.712) 3.717 6.422 ( -4.065 -4.065 -1.573) 5.960 6.561 ( 0.521 0.521 -9.101) 9.131 6.634 ( -6.533 -6.533 -3.189) 9.775 7.117 ( 3.990 3.990 -3.254) 6.514 7.167 ( -0.763 -0.763 -3.677) 3.832 11.123 ( 0.569 0.569 6.488) 6.538 11.135 ( -0.434 -0.434 5.851) 5.883 11.215 ( 0.259 0.259 5.823) 5.834 11.221 ( -0.265 -0.265 5.222) 5.236 12.233 ( 0.322 0.322 3.922) 3.948 12.249 ( -1.066 -1.066 4.258) 4.517 12.347 ( 1.373 1.373 3.947) 4.399 12.370 ( -0.773 -0.773 3.511) 3.677 14.960 ( 0.250 0.250 -1.313) 1.360 14.969 ( -0.561 -0.561 -1.726) 1.899 15.088 ( 0.133 0.133 -1.820) 1.830 15.091 ( -0.085 -0.085 -1.962) 1.965 18.679 ( 0.099 0.099 -0.662) 0.676 18.683 ( -0.304 -0.304 -0.869) 0.970 18.755 ( 0.264 0.264 -0.710) 0.803 18.756 ( 0.128 0.128 -0.767) 0.788 18.948 ( -0.021 -0.021 0.984) 0.984 18.949 ( -0.107 -0.107 0.928) 0.940 18.971 ( -0.029 -0.029 0.770) 0.771 18.971 ( -0.046 -0.046 0.787) 0.789 19.559 ( 0.005 0.005 0.446) 0.446 19.561 ( -0.152 -0.152 0.484) 0.529 19.575 ( 0.146 0.146 0.443) 0.489 19.578 ( -0.099 -0.099 0.398) 0.422 21.503 ( 0.271 0.271 12.553) 12.559 21.504 ( 0.152 0.152 12.617) 12.619 21.646 ( 0.083 0.083 10.786) 10.787 21.659 ( -1.020 -1.020 9.991) 10.094 21.900 ( -0.104 -0.104 -4.183) 4.186 21.917 ( -1.571 -1.571 -3.719) 4.332 22.179 ( 1.482 1.482 -3.507) 4.085 22.194 ( 0.094 0.094 -3.953) 3.955 22.604 ( 0.107 0.107 -0.013) 0.152 22.607 ( -0.214 -0.214 -0.173) 0.349 22.673 ( 0.077 0.077 -0.063) 0.126 22.673 ( 0.052 0.052 -0.002) 0.073 23.382 ( 0.380 0.380 -0.663) 0.854 23.383 ( 0.290 0.290 -0.701) 0.812 23.438 ( 0.171 0.171 -1.024) 1.052 23.449 ( -0.736 -0.736 -1.611) 1.918 24.816 ( 0.060 0.060 -0.081) 0.117 24.817 ( -0.010 -0.010 -0.122) 0.123 24.855 ( 0.018 0.018 -0.019) 0.031 24.856 ( -0.054 -0.054 -0.062) 0.099 25.331 ( 0.033 0.033 -0.577) 0.579 25.333 ( -0.131 -0.131 -0.228) 0.293 25.396 ( 0.546 0.546 -1.836) 1.991 25.405 ( -0.293 -0.293 -2.139) 2.179 27.675 ( -0.012 -0.012 1.519) 1.519 27.675 ( -0.012 -0.012 1.525) 1.525 27.752 ( 0.131 0.131 1.310) 1.323 27.753 ( 0.030 0.030 1.276) 1.277 28.319 ( 0.008 0.008 -1.582) 1.582 28.319 ( -0.014 -0.014 -1.554) 1.554 28.424 ( 0.111 0.111 -1.491) 1.499 28.428 ( -0.225 -0.225 -1.660) 1.690 43.279 ( 4.694 4.694 0.739) 6.679 43.403 ( -6.013 -6.013 2.516) 8.868 43.857 ( 8.109 8.109 -4.887) 12.465 44.013 ( -5.788 -5.788 -6.037) 10.171 51.781 ( -1.406 -1.406 -3.788) 4.278 51.811 ( -4.104 -4.104 -3.549) 6.803 52.492 ( 4.198 4.198 1.305) 6.078 52.520 ( 1.726 1.726 1.309) 2.769 53.883 ( 0.248 0.248 -2.836) 2.858 53.886 ( -0.021 -0.021 -2.937) 2.938 54.244 ( -0.002 -0.002 4.448) 4.448 54.244 ( -0.046 -0.046 4.466) 4.467 54.367 ( 0.321 0.321 -1.824) 1.879 54.390 ( -1.648 -1.648 -2.456) 3.386 55.171 ( 1.272 1.272 2.355) 2.963 55.185 ( 0.065 0.065 2.252) 2.254 56.814 ( 0.043 0.043 -2.592) 2.593 56.819 ( -0.294 -0.294 -2.553) 2.587 56.918 ( 0.349 0.349 -2.255) 2.308 56.922 ( -0.064 -0.064 -2.490) 2.492 60.712 ( 0.615 0.615 15.877) 15.901 60.723 ( -0.186 -0.186 15.663) 15.665 60.756 ( 0.280 0.280 14.367) 14.372 60.771 ( -0.877 -0.877 13.833) 13.889 61.840 ( 0.173 0.173 -7.741) 7.745 61.849 ( -0.548 -0.548 -7.665) 7.704 61.929 ( 0.395 0.395 -5.925) 5.952 61.938 ( -0.376 -0.376 -5.858) 5.882 ======================= Grid point 125 (31/36) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.000 0.000 -8.103) 8.103 2.193 ( 0.000 0.000 8.103) 8.103 2.372 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 -9.391) 9.391 2.537 ( 0.000 0.000 9.391) 9.391 2.601 ( -0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 -0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.989 ( -0.000 0.000 0.000) 0.000 2.989 ( -0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 -13.131) 13.131 3.192 ( 0.000 0.000 13.131) 13.131 3.363 ( -0.000 0.000 -0.000) 0.000 3.363 ( 0.000 0.000 -0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 -3.543) 3.543 3.563 ( 0.000 0.000 3.543) 3.543 3.794 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 -14.337) 14.337 4.079 ( 0.000 0.000 14.337) 14.337 4.213 ( 0.000 -0.000 -6.188) 6.188 4.213 ( -0.000 0.000 6.188) 6.188 4.256 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 -5.830) 5.830 4.316 ( 0.000 0.000 5.830) 5.830 4.646 ( 0.000 0.000 -5.184) 5.184 4.646 ( 0.000 0.000 5.184) 5.184 4.968 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 -4.602) 4.602 5.126 ( 0.000 0.000 4.602) 4.602 5.247 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 -3.145) 3.145 5.315 ( 0.000 0.000 3.145) 3.145 6.152 ( 0.000 0.000 -6.951) 6.951 6.152 ( 0.000 0.000 6.951) 6.951 6.393 ( -0.000 0.000 0.000) 0.000 6.393 ( -0.000 0.000 0.000) 0.000 6.443 ( -0.000 -0.000 0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 7.190 ( -0.000 0.000 -6.918) 6.918 7.190 ( -0.000 0.000 6.918) 6.918 11.208 ( 0.000 0.000 -4.088) 4.088 11.208 ( 0.000 0.000 4.088) 4.088 11.247 ( 0.000 -0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 12.236 ( -0.000 0.000 0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 12.442 ( 0.000 0.000 -4.108) 4.108 12.442 ( -0.000 0.000 4.108) 4.108 14.979 ( 0.000 0.000 -2.993) 2.993 14.979 ( 0.000 0.000 2.993) 2.993 15.056 ( 0.000 0.000 0.000) 0.000 15.056 ( 0.000 0.000 0.000) 0.000 18.695 ( 0.000 0.000 -1.977) 1.977 18.695 ( 0.000 0.000 1.977) 1.977 18.716 ( 0.000 0.000 0.000) 0.000 18.716 ( 0.000 0.000 0.000) 0.000 18.962 ( 0.000 0.000 -0.081) 0.081 18.962 ( 0.000 0.000 0.081) 0.081 18.986 ( 0.000 0.000 0.000) 0.000 18.986 ( -0.000 0.000 0.000) 0.000 19.564 ( -0.000 -0.000 0.000) 0.000 19.564 ( -0.000 -0.000 0.000) 0.000 19.587 ( 0.000 0.000 -0.449) 0.449 19.587 ( -0.000 0.000 0.449) 0.449 21.605 ( -0.000 0.000 0.000) 0.000 21.605 ( 0.000 0.000 0.000) 0.000 21.849 ( 0.000 -0.000 -3.876) 3.876 21.849 ( 0.000 0.000 3.876) 3.876 21.866 ( 0.000 0.000 0.000) 0.000 21.866 ( -0.000 0.000 0.000) 0.000 22.112 ( 0.000 0.000 -2.100) 2.100 22.112 ( 0.000 0.000 2.100) 2.100 22.612 ( -0.000 0.000 -1.179) 1.179 22.612 ( 0.000 0.000 1.179) 1.179 22.659 ( 0.000 0.000 0.000) 0.000 22.659 ( 0.000 0.000 0.000) 0.000 23.347 ( 0.000 0.000 0.000) 0.000 23.347 ( 0.000 0.000 0.000) 0.000 23.456 ( -0.000 0.000 -2.002) 2.002 23.456 ( -0.000 0.000 2.002) 2.002 24.813 ( -0.000 0.000 0.000) 0.000 24.813 ( 0.000 0.000 0.000) 0.000 24.856 ( 0.000 0.000 -0.159) 0.159 24.856 ( 0.000 0.000 0.159) 0.159 25.320 ( 0.000 0.000 0.000) 0.000 25.320 ( 0.000 0.000 0.000) 0.000 25.382 ( 0.000 0.000 -2.542) 2.542 25.382 ( 0.000 0.000 2.542) 2.542 27.692 ( 0.000 0.000 0.000) 0.000 27.692 ( -0.000 0.000 0.000) 0.000 27.753 ( 0.000 0.000 -0.356) 0.356 27.753 ( -0.000 -0.000 0.356) 0.356 28.301 ( -0.000 0.000 0.000) 0.000 28.301 ( 0.000 0.000 0.000) 0.000 28.420 ( 0.000 0.000 -0.941) 0.941 28.420 ( 0.000 0.000 0.941) 0.941 42.932 ( 0.000 -0.000 0.000) 0.000 42.932 ( -0.000 -0.000 0.000) 0.000 44.244 ( 0.000 0.000 -17.857) 17.857 44.244 ( 0.000 0.000 17.857) 17.857 52.029 ( 0.000 0.000 0.000) 0.000 52.029 ( 0.000 0.000 0.000) 0.000 52.234 ( 0.000 -0.000 -0.844) 0.844 52.234 ( 0.000 0.000 0.844) 0.844 53.862 ( 0.000 0.000 0.000) 0.000 53.862 ( 0.000 0.000 0.000) 0.000 54.289 ( -0.000 0.000 0.000) 0.000 54.289 ( 0.000 0.000 0.000) 0.000 54.347 ( 0.000 0.000 -4.511) 4.511 54.347 ( 0.000 0.000 4.511) 4.511 55.207 ( -0.000 0.000 -0.727) 0.727 55.207 ( -0.000 0.000 0.727) 0.727 56.787 ( -0.000 -0.000 0.000) 0.000 56.787 ( 0.000 0.000 0.000) 0.000 56.890 ( 0.000 0.000 -1.042) 1.042 56.890 ( -0.000 -0.000 1.042) 1.042 60.892 ( -0.000 0.000 0.000) 0.000 60.892 ( 0.000 0.000 0.000) 0.000 60.909 ( 0.000 0.000 -2.226) 2.226 60.909 ( 0.000 0.000 2.226) 2.226 61.808 ( -0.000 -0.000 0.000) 0.000 61.808 ( 0.000 0.000 0.000) 0.000 61.836 ( 0.000 0.000 -3.036) 3.036 61.836 ( -0.000 0.000 3.036) 3.036 ======================= Grid point 127 (32/36) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 2.964 0.000 -5.909) 6.611 2.230 ( 2.964 0.000 5.909) 6.611 2.426 ( 3.856 0.000 -4.050) 5.592 2.426 ( 3.856 0.000 4.050) 5.592 2.491 ( -2.278 0.000 -5.364) 5.827 2.491 ( -2.278 0.000 5.364) 5.827 2.601 ( 0.410 0.000 -0.221) 0.466 2.601 ( 0.410 0.000 0.221) 0.466 2.834 ( -1.674 0.000 -5.257) 5.517 2.834 ( -1.674 0.000 5.257) 5.517 2.959 ( -2.639 0.000 -0.549) 2.696 2.959 ( -2.639 0.000 0.549) 2.696 3.167 ( 1.438 0.000 -2.401) 2.799 3.167 ( 1.438 0.000 2.401) 2.799 3.365 ( -0.437 0.000 -2.177) 2.220 3.365 ( -0.437 0.000 2.177) 2.220 3.443 ( 2.356 0.000 -2.350) 3.328 3.443 ( 2.356 0.000 2.350) 3.328 3.621 ( 3.842 0.000 -1.090) 3.993 3.621 ( 3.842 0.000 1.090) 3.993 3.718 ( -5.635 0.000 -0.646) 5.672 3.718 ( -5.635 0.000 0.646) 5.672 3.966 ( -12.087 0.000 -0.003) 12.087 3.966 ( -12.087 0.000 0.003) 12.087 4.087 ( -0.359 0.000 -9.037) 9.044 4.087 ( -0.359 0.000 9.037) 9.044 4.210 ( -1.545 0.000 -0.628) 1.668 4.210 ( -1.545 0.000 0.628) 1.668 4.544 ( 2.551 0.000 -0.009) 2.551 4.544 ( 2.551 0.000 0.009) 2.551 4.638 ( 9.752 0.000 -4.847) 10.890 4.638 ( 9.752 0.000 4.847) 10.890 5.016 ( -6.430 0.000 -1.630) 6.634 5.016 ( -6.430 0.000 1.630) 6.634 5.074 ( 3.272 0.000 -1.066) 3.441 5.074 ( 3.272 0.000 1.066) 3.441 5.242 ( -1.221 0.000 0.000) 1.221 5.242 ( -1.221 0.000 0.000) 1.221 5.419 ( 8.897 0.000 -2.751) 9.313 5.419 ( 8.897 0.000 2.751) 9.313 6.028 ( -6.602 0.000 -6.738) 9.433 6.028 ( -6.602 0.000 6.738) 9.433 6.385 ( -4.419 0.000 -4.205) 6.100 6.385 ( -4.419 0.000 4.205) 6.100 6.575 ( 11.253 0.000 -2.864) 11.612 6.575 ( 11.253 0.000 2.864) 11.612 7.141 ( -4.428 0.000 -6.382) 7.768 7.141 ( -4.428 0.000 6.382) 7.768 11.206 ( -0.169 0.000 -3.091) 3.096 11.206 ( -0.169 0.000 3.091) 3.096 11.251 ( 0.311 0.000 -0.217) 0.379 11.251 ( 0.311 0.000 0.217) 0.379 12.256 ( 1.775 0.000 -0.101) 1.778 12.256 ( 1.775 0.000 0.101) 1.778 12.422 ( -1.810 0.000 -3.507) 3.947 12.422 ( -1.810 0.000 3.507) 3.947 14.972 ( -0.536 0.000 -2.273) 2.336 14.972 ( -0.536 0.000 2.273) 2.336 15.060 ( 0.318 0.000 -0.135) 0.346 15.060 ( 0.318 0.000 0.135) 0.346 18.689 ( -0.334 0.000 -1.304) 1.346 18.689 ( -0.334 0.000 1.304) 1.346 18.724 ( 0.537 0.000 -0.297) 0.613 18.724 ( 0.537 0.000 0.297) 0.613 18.961 ( -0.022 0.000 -0.086) 0.089 18.961 ( -0.022 0.000 0.086) 0.089 18.984 ( -0.125 0.000 -0.000) 0.125 18.984 ( -0.125 0.000 0.000) 0.125 19.566 ( 0.126 0.000 -0.016) 0.128 19.566 ( 0.126 0.000 0.016) 0.128 19.584 ( -0.235 0.000 -0.394) 0.459 19.584 ( -0.235 0.000 0.394) 0.459 21.612 ( 0.633 0.000 -0.000) 0.633 21.612 ( 0.633 0.000 0.000) 0.633 21.800 ( -2.466 0.000 -1.167) 2.728 21.800 ( -2.466 0.000 1.167) 2.728 21.910 ( 2.033 0.000 -1.649) 2.617 21.910 ( 2.033 0.000 1.649) 2.617 22.103 ( -0.729 0.000 -2.070) 2.194 22.103 ( -0.729 0.000 2.070) 2.194 22.611 ( -0.082 0.000 -0.927) 0.931 22.611 ( -0.082 0.000 0.927) 0.931 22.662 ( 0.236 0.000 -0.006) 0.236 22.662 ( 0.236 0.000 0.006) 0.236 23.352 ( 0.422 0.000 -0.061) 0.427 23.352 ( 0.422 0.000 0.061) 0.427 23.451 ( -0.433 0.000 -1.693) 1.747 23.451 ( -0.433 0.000 1.693) 1.747 24.814 ( 0.080 0.000 -0.014) 0.081 24.814 ( 0.080 0.000 0.014) 0.081 24.856 ( 0.010 0.000 -0.134) 0.134 24.856 ( 0.010 0.000 0.134) 0.134 25.327 ( 0.635 0.000 -0.211) 0.669 25.327 ( 0.635 0.000 0.211) 0.669 25.377 ( -0.457 0.000 -2.329) 2.374 25.377 ( -0.457 0.000 2.329) 2.374 27.692 ( -0.005 0.000 -0.004) 0.007 27.692 ( -0.005 0.000 0.004) 0.007 27.756 ( 0.205 0.000 -0.280) 0.347 27.756 ( 0.205 0.000 0.280) 0.347 28.302 ( 0.061 0.000 -0.007) 0.062 28.302 ( 0.061 0.000 0.007) 0.062 28.417 ( -0.213 0.000 -0.783) 0.812 28.417 ( -0.213 0.000 0.783) 0.812 43.054 ( 10.797 0.000 -0.905) 10.835 43.054 ( 10.797 0.000 0.905) 10.835 44.135 ( -9.826 0.000 -15.771) 18.581 44.135 ( -9.826 0.000 15.771) 18.581 52.012 ( -1.256 0.000 -0.007) 1.256 52.012 ( -1.256 0.000 0.007) 1.256 52.259 ( 1.861 0.000 -0.131) 1.865 52.259 ( 1.861 0.000 0.131) 1.865 53.858 ( -0.303 0.000 -0.006) 0.303 53.858 ( -0.303 0.000 0.006) 0.303 54.290 ( 0.046 0.000 -0.000) 0.046 54.290 ( 0.046 0.000 0.000) 0.046 54.363 ( 1.272 0.000 -3.545) 3.766 54.363 ( 1.272 0.000 3.545) 3.766 55.190 ( -1.380 0.000 -0.350) 1.424 55.190 ( -1.380 0.000 0.350) 1.424 56.792 ( 0.405 0.000 -0.012) 0.405 56.792 ( 0.405 0.000 0.012) 0.405 56.890 ( -0.026 0.000 -0.884) 0.884 56.890 ( -0.026 0.000 0.884) 0.884 60.886 ( -0.419 0.000 -0.214) 0.471 60.886 ( -0.419 0.000 0.214) 0.471 60.916 ( 0.435 0.000 -1.423) 1.488 60.916 ( 0.435 0.000 1.423) 1.488 61.789 ( -1.204 0.000 -0.458) 1.288 61.789 ( -1.204 0.000 0.458) 1.288 61.850 ( 0.742 0.000 -1.466) 1.643 61.850 ( 0.742 0.000 1.466) 1.643 ======================= Grid point 129 (33/36) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 1.148 0.000 -1.651) 2.011 2.282 ( 1.148 0.000 1.651) 2.011 2.444 ( 0.423 0.000 -5.600) 5.616 2.444 ( 0.423 0.000 5.600) 5.616 2.490 ( -0.722 0.000 -0.681) 0.993 2.490 ( -0.722 0.000 0.681) 0.993 2.677 ( 4.705 0.000 -2.978) 5.568 2.677 ( 4.705 0.000 2.978) 5.568 2.784 ( -0.063 0.000 -9.770) 9.770 2.784 ( -0.063 0.000 9.770) 9.770 2.908 ( -1.466 0.000 -1.140) 1.857 2.908 ( -1.466 0.000 1.140) 1.857 3.151 ( -6.051 0.000 -1.198) 6.169 3.151 ( -6.051 0.000 1.198) 6.169 3.359 ( 1.917 0.000 -3.086) 3.633 3.359 ( 1.917 0.000 3.086) 3.633 3.527 ( 5.942 0.000 -1.257) 6.073 3.527 ( 5.942 0.000 1.257) 6.073 3.632 ( -0.930 0.000 -1.391) 1.673 3.632 ( -0.930 0.000 1.391) 1.673 3.660 ( -1.283 0.000 -0.209) 1.300 3.660 ( -1.283 0.000 0.209) 1.300 3.743 ( -8.343 0.000 -0.231) 8.347 3.743 ( -8.343 0.000 0.231) 8.347 4.109 ( 2.520 0.000 -2.773) 3.747 4.109 ( 2.520 0.000 2.773) 3.747 4.169 ( -2.367 0.000 -0.676) 2.461 4.169 ( -2.367 0.000 0.676) 2.461 4.620 ( 5.661 0.000 -0.005) 5.661 4.620 ( 5.661 0.000 0.005) 5.661 4.770 ( -3.269 0.000 -1.957) 3.810 4.770 ( -3.269 0.000 1.957) 3.810 4.939 ( 3.188 0.000 -0.034) 3.189 4.939 ( 3.188 0.000 0.034) 3.189 5.039 ( -4.622 0.000 -2.313) 5.169 5.039 ( -4.622 0.000 2.313) 5.169 5.281 ( 3.091 0.000 -1.910) 3.633 5.281 ( 3.091 0.000 1.910) 3.633 5.567 ( 3.025 0.000 -0.698) 3.104 5.567 ( 3.025 0.000 0.698) 3.104 5.956 ( 0.068 0.000 -7.314) 7.314 5.956 ( 0.068 0.000 7.314) 7.314 6.273 ( -4.562 0.000 -4.793) 6.617 6.273 ( -4.562 0.000 4.793) 6.617 6.808 ( 9.964 0.000 -3.790) 10.661 6.808 ( 9.964 0.000 3.790) 10.661 7.010 ( -7.511 0.000 -5.060) 9.056 7.010 ( -7.511 0.000 5.060) 9.056 11.203 ( -0.082 0.000 -1.100) 1.103 11.203 ( -0.082 0.000 1.100) 1.103 11.257 ( 0.169 0.000 -0.166) 0.237 11.257 ( 0.169 0.000 0.166) 0.237 12.306 ( 2.716 0.000 -0.721) 2.810 12.306 ( 2.716 0.000 0.721) 2.810 12.371 ( -2.734 0.000 -2.065) 3.426 12.371 ( -2.734 0.000 2.065) 3.426 14.962 ( -0.291 0.000 -0.811) 0.862 14.962 ( -0.291 0.000 0.811) 0.862 15.065 ( 0.156 0.000 -0.111) 0.192 15.065 ( 0.156 0.000 0.111) 0.192 18.684 ( -0.129 0.000 -0.450) 0.468 18.684 ( -0.129 0.000 0.450) 0.468 18.733 ( 0.254 0.000 -0.177) 0.310 18.733 ( 0.254 0.000 0.177) 0.310 18.961 ( -0.002 0.000 -0.048) 0.048 18.961 ( -0.002 0.000 0.048) 0.048 18.981 ( -0.088 0.000 -0.001) 0.088 18.981 ( -0.088 0.000 0.001) 0.088 19.570 ( 0.208 0.000 -0.080) 0.223 19.570 ( 0.208 0.000 0.080) 0.223 19.578 ( -0.275 0.000 -0.230) 0.359 19.578 ( -0.275 0.000 0.230) 0.359 21.627 ( 0.523 0.000 -0.005) 0.523 21.627 ( 0.523 0.000 0.005) 0.523 21.759 ( -1.171 0.000 -0.400) 1.238 21.759 ( -1.171 0.000 0.400) 1.238 21.941 ( 0.762 0.000 -1.032) 1.283 21.941 ( 0.762 0.000 1.032) 1.283 22.089 ( -0.429 0.000 -1.123) 1.202 22.089 ( -0.429 0.000 1.123) 1.202 22.610 ( -0.039 0.000 -0.343) 0.345 22.610 ( -0.039 0.000 0.343) 0.345 22.666 ( 0.130 0.000 -0.006) 0.130 22.666 ( 0.130 0.000 0.006) 0.130 23.362 ( 0.316 0.000 -0.091) 0.329 23.362 ( 0.316 0.000 0.091) 0.329 23.442 ( -0.322 0.000 -0.716) 0.786 23.442 ( -0.322 0.000 0.716) 0.786 24.815 ( 0.043 0.000 -0.018) 0.047 24.815 ( 0.043 0.000 0.018) 0.047 24.856 ( 0.008 0.000 -0.054) 0.055 24.856 ( 0.008 0.000 0.054) 0.055 25.344 ( 0.906 0.000 -0.932) 1.300 25.344 ( 0.906 0.000 0.932) 1.300 25.363 ( -0.798 0.000 -1.742) 1.916 25.363 ( -0.798 0.000 1.742) 1.916 27.692 ( -0.007 0.000 -0.006) 0.009 27.692 ( -0.007 0.000 0.006) 0.009 27.760 ( 0.129 0.000 -0.101) 0.164 27.760 ( 0.129 0.000 0.101) 0.164 28.303 ( 0.041 0.000 -0.010) 0.043 28.303 ( 0.041 0.000 0.010) 0.043 28.413 ( -0.135 0.000 -0.314) 0.342 28.413 ( -0.135 0.000 0.314) 0.342 43.335 ( 12.842 0.000 -3.349) 13.271 43.335 ( 12.842 0.000 3.349) 13.271 43.873 ( -12.251 0.000 -9.081) 15.250 43.873 ( -12.251 0.000 9.081) 15.250 51.990 ( -0.603 0.000 -0.010) 0.603 51.990 ( -0.603 0.000 0.010) 0.603 52.293 ( 0.969 0.000 -0.053) 0.970 52.293 ( 0.969 0.000 0.053) 0.970 53.852 ( -0.167 0.000 -0.008) 0.167 53.852 ( -0.167 0.000 0.008) 0.167 54.291 ( 0.025 0.000 -0.000) 0.025 54.291 ( 0.025 0.000 0.000) 0.025 54.388 ( 0.798 0.000 -1.296) 1.522 54.388 ( 0.798 0.000 1.296) 1.522 55.162 ( -0.872 0.000 -0.083) 0.876 55.162 ( -0.872 0.000 0.083) 0.876 56.800 ( 0.247 0.000 -0.021) 0.248 56.800 ( 0.247 0.000 0.021) 0.248 56.889 ( -0.019 0.000 -0.367) 0.367 56.889 ( -0.019 0.000 0.367) 0.367 60.879 ( -0.176 0.000 -0.113) 0.209 60.879 ( -0.176 0.000 0.113) 0.209 60.923 ( 0.185 0.000 -0.500) 0.533 60.923 ( 0.185 0.000 0.500) 0.533 61.769 ( -0.549 0.000 -0.264) 0.609 61.769 ( -0.549 0.000 0.264) 0.609 61.861 ( 0.267 0.000 -0.431) 0.507 61.861 ( 0.267 0.000 0.431) 0.507 ======================= Grid point 137 (34/36) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 1.913 1.913 0.000) 2.705 2.319 ( 4.581 4.581 -0.000) 6.478 2.442 ( -1.325 -1.325 0.000) 1.873 2.455 ( 3.197 3.197 -0.000) 4.521 2.516 ( -1.029 -1.029 0.000) 1.455 2.517 ( 6.123 6.123 -0.000) 8.660 2.558 ( -2.433 -2.433 0.000) 3.441 2.593 ( -0.052 -0.052 0.000) 0.074 2.812 ( -1.802 -1.802 0.000) 2.548 2.825 ( -0.706 -0.706 0.000) 0.999 2.926 ( -3.039 -3.039 -0.000) 4.298 2.940 ( -1.474 -1.474 -0.000) 2.085 3.099 ( -2.008 -2.008 0.000) 2.840 3.253 ( -4.157 -4.157 0.000) 5.878 3.290 ( -2.980 -2.980 -0.000) 4.215 3.296 ( 6.399 6.399 0.000) 9.050 3.409 ( 0.577 0.577 0.000) 0.816 3.544 ( -6.185 -6.185 0.000) 8.747 3.641 ( -1.968 -1.968 -0.000) 2.784 3.658 ( 1.899 1.899 0.000) 2.686 3.685 ( 5.185 5.185 0.000) 7.333 3.714 ( -5.358 -5.358 -0.000) 7.577 3.870 ( 3.719 3.719 0.000) 5.260 3.944 ( -9.199 -9.199 0.000) 13.009 4.052 ( 2.914 2.914 0.000) 4.121 4.128 ( 2.320 2.320 -0.000) 3.281 4.260 ( -1.125 -1.125 0.000) 1.592 4.325 ( 1.679 1.679 0.000) 2.375 4.405 ( 3.477 3.477 0.000) 4.917 4.428 ( -7.029 -7.029 0.000) 9.940 4.582 ( 1.682 1.682 0.000) 2.378 4.822 ( -12.606 -12.606 0.000) 17.827 4.830 ( 1.306 1.306 0.000) 1.847 4.995 ( -4.233 -4.233 0.000) 5.986 5.012 ( 5.382 5.382 0.000) 7.612 5.210 ( 0.401 0.401 0.000) 0.566 5.336 ( 11.476 11.476 0.000) 16.229 5.363 ( 4.619 4.619 0.000) 6.532 5.455 ( 3.913 3.913 0.000) 5.533 5.512 ( 7.296 7.296 0.000) 10.318 5.871 ( -6.094 -6.094 0.000) 8.618 6.022 ( -5.781 -5.781 -0.000) 8.176 6.401 ( -1.648 -1.648 0.000) 2.331 6.427 ( 1.122 1.122 0.000) 1.586 6.455 ( 0.555 0.555 0.000) 0.784 6.759 ( 9.359 9.359 0.000) 13.235 7.029 ( -6.873 -6.873 -0.000) 9.720 7.165 ( -1.003 -1.003 0.000) 1.419 11.202 ( -0.272 -0.272 0.000) 0.384 11.203 ( -0.257 -0.257 0.000) 0.363 11.255 ( 0.396 0.396 0.000) 0.560 11.257 ( 0.411 0.411 0.000) 0.582 12.250 ( 0.557 0.557 0.000) 0.788 12.293 ( 2.264 2.264 0.000) 3.202 12.385 ( -2.295 -2.295 -0.000) 3.246 12.427 ( -0.595 -0.595 0.000) 0.841 14.964 ( -0.502 -0.502 0.000) 0.710 14.968 ( -0.453 -0.453 -0.000) 0.641 15.061 ( 0.230 0.230 0.000) 0.325 15.065 ( 0.261 0.261 0.000) 0.369 18.683 ( -0.321 -0.321 -0.000) 0.453 18.687 ( -0.316 -0.316 0.000) 0.447 18.729 ( 0.505 0.505 0.000) 0.714 18.732 ( 0.499 0.499 0.000) 0.706 18.960 ( -0.053 -0.053 -0.000) 0.075 18.961 ( -0.029 -0.029 0.000) 0.042 18.982 ( -0.120 -0.120 0.000) 0.170 18.983 ( -0.099 -0.099 0.000) 0.141 19.564 ( -0.026 -0.026 0.000) 0.037 19.570 ( 0.235 0.235 0.000) 0.333 19.578 ( -0.332 -0.332 0.000) 0.470 19.585 ( -0.069 -0.069 0.000) 0.098 21.615 ( 0.427 0.427 0.000) 0.604 21.620 ( 0.539 0.539 0.000) 0.763 21.770 ( -1.287 -1.287 0.000) 1.820 21.810 ( -1.481 -1.481 0.000) 2.095 21.861 ( -0.192 -0.192 0.000) 0.271 21.953 ( 0.336 0.336 0.000) 0.475 22.083 ( 0.095 0.095 0.000) 0.134 22.127 ( 0.621 0.621 0.000) 0.879 22.610 ( -0.117 -0.117 -0.000) 0.165 22.610 ( -0.115 -0.115 0.000) 0.163 22.663 ( 0.192 0.192 0.000) 0.271 22.666 ( 0.239 0.239 0.000) 0.338 23.356 ( 0.391 0.391 0.000) 0.554 23.358 ( 0.447 0.447 0.000) 0.633 23.446 ( -0.396 -0.396 0.000) 0.560 23.447 ( -0.365 -0.365 -0.000) 0.516 24.814 ( 0.043 0.043 0.000) 0.061 24.815 ( 0.065 0.065 0.000) 0.092 24.856 ( -0.012 -0.012 0.000) 0.017 24.856 ( -0.000 -0.000 -0.000) 0.000 25.322 ( 0.087 0.087 0.000) 0.123 25.343 ( 0.924 0.924 0.000) 1.307 25.363 ( -0.768 -0.768 0.000) 1.086 25.382 ( 0.027 0.027 0.000) 0.039 27.691 ( -0.022 -0.022 0.000) 0.031 27.692 ( -0.022 -0.022 0.000) 0.032 27.758 ( 0.180 0.180 0.000) 0.255 27.759 ( 0.207 0.207 -0.000) 0.292 28.302 ( 0.016 0.016 0.000) 0.023 28.303 ( 0.046 0.046 0.000) 0.065 28.414 ( -0.182 -0.182 -0.000) 0.258 28.416 ( -0.154 -0.154 0.000) 0.217 43.044 ( 4.937 4.937 0.000) 6.982 43.272 ( 13.663 13.663 0.000) 19.322 43.929 ( -12.675 -12.675 0.000) 17.926 44.156 ( -3.973 -3.973 0.000) 5.619 51.876 ( -4.270 -4.270 0.000) 6.038 52.063 ( -7.017 -7.017 0.000) 9.923 52.218 ( 7.479 7.479 0.000) 10.577 52.392 ( 4.480 4.480 0.000) 6.336 53.853 ( -0.192 -0.192 0.000) 0.272 53.859 ( -0.091 -0.091 0.000) 0.128 54.289 ( -0.012 -0.012 0.000) 0.017 54.291 ( 0.020 0.020 0.000) 0.028 54.348 ( 0.037 0.037 -0.000) 0.052 54.389 ( 0.815 0.815 0.000) 1.153 55.167 ( -0.778 -0.778 0.000) 1.100 55.204 ( -0.047 -0.047 0.000) 0.066 56.788 ( 0.030 0.030 0.000) 0.043 56.800 ( 0.254 0.254 0.000) 0.360 56.889 ( 0.034 0.034 0.000) 0.048 56.893 ( 0.103 0.103 -0.000) 0.145 60.878 ( -0.187 -0.187 0.000) 0.264 60.898 ( 0.242 0.242 0.000) 0.342 60.903 ( -0.235 -0.235 0.000) 0.333 60.925 ( 0.207 0.207 -0.000) 0.293 61.763 ( -0.912 -0.912 0.000) 1.290 61.806 ( -1.228 -1.228 0.000) 1.737 61.828 ( 0.796 0.796 0.000) 1.126 61.871 ( 0.486 0.486 0.000) 0.687 ======================= Grid point 139 (35/36) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 4.658 2.454 0.000) 5.265 2.373 ( -0.295 5.692 -0.000) 5.700 2.435 ( 0.547 -0.370 -0.000) 0.660 2.450 ( -2.178 0.713 -0.000) 2.292 2.480 ( -1.217 -0.840 0.000) 1.479 2.492 ( -2.613 -1.049 -0.000) 2.816 2.645 ( 4.017 4.137 0.000) 5.766 2.712 ( 7.874 -5.605 0.000) 9.665 2.747 ( -5.009 2.451 0.000) 5.577 2.823 ( 0.145 -3.414 0.000) 3.417 2.868 ( 1.482 -0.180 0.000) 1.493 2.923 ( 0.307 5.597 0.000) 5.605 3.143 ( 3.250 -1.805 0.000) 3.718 3.187 ( -0.653 -7.910 -0.000) 7.937 3.214 ( -4.805 0.470 0.000) 4.828 3.315 ( -6.759 -1.564 0.000) 6.937 3.438 ( 2.586 -4.454 0.000) 5.150 3.480 ( 1.748 -4.639 0.000) 4.957 3.500 ( -4.759 -8.910 0.000) 10.101 3.614 ( -8.421 -1.019 0.000) 8.483 3.694 ( 0.809 1.478 0.000) 1.685 3.695 ( -0.298 2.465 -0.000) 2.483 3.829 ( 4.742 8.125 0.000) 9.408 3.989 ( -9.517 10.666 0.000) 14.295 4.095 ( 10.734 0.320 0.000) 10.738 4.194 ( 6.897 8.047 0.000) 10.598 4.240 ( -0.854 7.182 -0.000) 7.233 4.331 ( -6.744 8.497 0.000) 10.848 4.383 ( 3.479 -11.069 0.000) 11.603 4.492 ( 6.138 -10.024 0.000) 11.754 4.561 ( -8.295 -15.281 0.000) 17.388 4.699 ( -9.080 -10.716 -0.000) 14.045 4.729 ( 7.019 -3.950 0.000) 8.054 4.872 ( -6.681 -3.849 0.000) 7.710 5.203 ( 7.753 11.106 0.000) 13.544 5.254 ( 2.938 3.713 0.000) 4.735 5.414 ( 0.858 11.563 -0.000) 11.595 5.446 ( 1.625 7.448 0.000) 7.623 5.575 ( 1.176 -0.608 -0.000) 1.324 5.576 ( -1.448 -0.118 0.000) 1.453 5.849 ( 4.689 -1.657 0.000) 4.973 5.933 ( -1.954 -1.183 -0.000) 2.284 6.326 ( -3.451 4.977 -0.000) 6.057 6.336 ( -3.357 2.201 0.000) 4.015 6.633 ( 9.370 -9.144 0.000) 13.093 6.826 ( -7.700 -8.623 -0.000) 11.561 6.976 ( 6.414 5.640 0.000) 8.541 7.104 ( -4.668 2.894 0.000) 5.492 11.197 ( -0.089 -0.386 -0.000) 0.396 11.198 ( -0.166 -0.379 0.000) 0.414 11.263 ( 0.253 0.514 0.000) 0.573 11.264 ( 0.174 0.521 -0.000) 0.550 12.278 ( 1.936 -0.864 0.000) 2.120 12.325 ( -1.947 -1.437 0.000) 2.419 12.352 ( 1.920 1.404 0.000) 2.379 12.399 ( -1.946 0.827 0.000) 2.114 14.956 ( -0.176 -0.427 0.000) 0.462 14.958 ( -0.363 -0.395 -0.000) 0.536 15.067 ( 0.196 0.145 0.000) 0.244 15.068 ( 0.055 0.166 0.000) 0.175 18.678 ( -0.051 -0.341 -0.000) 0.345 18.680 ( -0.228 -0.330 0.000) 0.401 18.739 ( 0.327 0.486 0.000) 0.586 18.740 ( 0.179 0.490 0.000) 0.522 18.960 ( 0.006 -0.090 -0.000) 0.090 18.960 ( -0.045 -0.075 0.000) 0.087 18.980 ( -0.053 -0.084 0.000) 0.099 18.981 ( -0.095 -0.071 0.000) 0.118 19.565 ( 0.170 -0.171 0.000) 0.241 19.571 ( -0.313 -0.232 0.000) 0.390 19.576 ( 0.257 0.155 0.000) 0.300 19.582 ( -0.233 0.096 0.000) 0.252 21.627 ( 0.529 0.164 0.000) 0.554 21.630 ( 0.267 0.236 0.000) 0.356 21.751 ( -0.314 -0.276 0.000) 0.418 21.765 ( -1.679 0.130 0.000) 1.684 21.886 ( 1.780 -2.649 0.000) 3.191 21.928 ( -2.007 -2.278 0.000) 3.036 22.105 ( 1.395 2.026 0.000) 2.459 22.127 ( -0.543 1.867 0.000) 1.944 22.608 ( -0.053 -0.166 -0.000) 0.174 22.608 ( -0.062 -0.166 0.000) 0.178 22.668 ( 0.188 0.169 0.000) 0.253 22.670 ( 0.047 0.196 0.000) 0.202 23.366 ( 0.373 0.397 0.000) 0.545 23.367 ( 0.259 0.440 0.000) 0.510 23.438 ( -0.267 -0.313 0.000) 0.412 23.438 ( -0.316 -0.285 -0.000) 0.425 24.815 ( 0.062 0.012 0.000) 0.063 24.816 ( -0.002 0.025 0.000) 0.025 24.856 ( 0.013 -0.037 0.000) 0.039 24.856 ( -0.016 -0.029 -0.000) 0.033 25.330 ( 0.604 -0.461 0.000) 0.760 25.346 ( -0.824 -0.778 0.000) 1.133 25.363 ( 0.848 0.860 0.000) 1.208 25.377 ( -0.464 0.518 0.000) 0.695 27.691 ( -0.004 -0.038 0.000) 0.038 27.691 ( -0.020 -0.039 0.000) 0.044 27.762 ( 0.144 0.158 0.000) 0.214 27.762 ( 0.090 0.175 0.000) 0.196 28.303 ( 0.057 -0.029 0.000) 0.064 28.304 ( -0.015 -0.012 0.000) 0.019 28.411 ( -0.070 -0.100 -0.000) 0.122 28.412 ( -0.140 -0.083 0.000) 0.163 43.243 ( 12.774 -1.138 0.000) 12.824 43.500 ( -3.509 5.359 0.000) 6.405 43.720 ( 4.071 -4.374 0.000) 5.976 43.976 ( -12.157 2.110 0.000) 12.338 51.842 ( 1.086 -7.017 0.000) 7.101 51.917 ( -5.671 -7.560 0.000) 9.450 52.369 ( 5.540 7.555 0.000) 9.369 52.435 ( -0.537 6.856 0.000) 6.877 53.851 ( 0.066 0.060 0.000) 0.089 53.855 ( -0.238 0.132 0.000) 0.273 54.290 ( 0.047 -0.069 0.000) 0.083 54.291 ( -0.044 -0.050 0.000) 0.066 54.364 ( 1.240 -1.189 -0.000) 1.718 54.389 ( -0.790 -0.767 0.000) 1.101 55.166 ( 0.719 1.005 0.000) 1.236 55.189 ( -1.150 1.391 0.000) 1.805 56.793 ( 0.380 -0.339 0.000) 0.509 56.801 ( -0.225 -0.219 0.000) 0.314 56.891 ( 0.147 0.216 0.000) 0.261 56.893 ( -0.041 0.237 -0.000) 0.241 60.878 ( 0.240 0.162 0.000) 0.289 60.887 ( -0.573 0.494 0.000) 0.756 60.915 ( 0.599 -0.488 0.000) 0.772 60.924 ( -0.249 -0.148 -0.000) 0.289 61.754 ( 0.206 -0.600 0.000) 0.634 61.772 ( -1.377 -0.372 0.000) 1.426 61.853 ( 1.121 -0.008 0.000) 1.121 61.871 ( -0.476 0.223 0.000) 0.526 ======================= Grid point 149 (36/36) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 5.624 5.624 0.000) 7.953 2.421 ( 0.232 0.232 -0.000) 0.328 2.428 ( -0.288 -0.288 0.000) 0.407 2.455 ( -1.061 -1.061 0.000) 1.501 2.456 ( -1.359 -1.359 -0.000) 1.922 2.516 ( -0.705 -0.705 -0.000) 0.997 2.562 ( -2.004 -2.004 -0.000) 2.834 2.668 ( -5.983 -5.983 0.000) 8.461 2.871 ( 7.073 7.073 -0.000) 10.002 2.880 ( 5.521 5.521 -0.000) 7.807 2.891 ( 5.345 5.345 0.000) 7.559 2.997 ( 2.064 2.064 0.000) 2.919 3.089 ( 2.390 2.390 0.000) 3.380 3.119 ( -3.224 -3.224 0.000) 4.559 3.161 ( -4.170 -4.170 0.000) 5.897 3.267 ( -7.964 -7.964 -0.000) 11.263 3.346 ( -3.042 -3.042 0.000) 4.301 3.354 ( -2.398 -2.398 0.000) 3.391 3.428 ( 0.912 0.912 0.000) 1.290 3.527 ( -6.668 -6.668 0.000) 9.430 3.713 ( 0.696 0.696 0.000) 0.984 3.715 ( 0.520 0.520 0.000) 0.736 4.002 ( 8.727 8.727 0.000) 12.342 4.099 ( 2.342 2.342 0.000) 3.312 4.196 ( -1.153 -1.153 0.000) 1.631 4.218 ( -0.946 -0.946 0.000) 1.338 4.260 ( -8.469 -8.469 0.000) 11.977 4.314 ( 4.321 4.321 0.000) 6.110 4.386 ( 1.116 1.116 -0.000) 1.579 4.425 ( 8.237 8.237 -0.000) 11.649 4.454 ( -11.343 -11.343 0.000) 16.041 4.484 ( 0.577 0.577 0.000) 0.817 4.717 ( 2.608 2.608 0.000) 3.688 4.775 ( -4.235 -4.235 0.000) 5.990 5.293 ( 2.615 2.615 0.000) 3.698 5.405 ( 6.782 6.782 0.000) 9.591 5.448 ( -8.932 -8.932 0.000) 12.632 5.520 ( -2.257 -2.257 0.000) 3.192 5.530 ( 1.465 1.465 -0.000) 2.072 5.541 ( -0.181 -0.181 0.000) 0.256 5.989 ( 10.460 10.460 0.000) 14.793 6.044 ( 6.826 6.826 -0.000) 9.654 6.348 ( -0.534 -0.534 0.000) 0.756 6.404 ( -3.560 -3.560 0.000) 5.035 6.459 ( 0.304 0.304 0.000) 0.430 6.611 ( -10.129 -10.129 0.000) 14.324 7.087 ( 3.943 3.943 0.000) 5.577 7.132 ( -0.314 -0.314 0.000) 0.444 11.191 ( -0.163 -0.163 -0.000) 0.231 11.191 ( -0.203 -0.203 0.000) 0.287 11.273 ( 0.287 0.287 0.000) 0.406 11.273 ( 0.246 0.246 0.000) 0.348 12.272 ( 0.328 0.328 0.000) 0.464 12.291 ( -1.390 -1.390 0.000) 1.965 12.386 ( 1.365 1.365 0.000) 1.931 12.404 ( -0.342 -0.342 0.000) 0.484 14.949 ( -0.187 -0.187 0.000) 0.264 14.950 ( -0.291 -0.291 -0.000) 0.411 15.070 ( 0.119 0.119 0.000) 0.168 15.071 ( 0.042 0.042 0.000) 0.059 18.673 ( -0.114 -0.114 -0.000) 0.161 18.674 ( -0.200 -0.200 0.000) 0.283 18.748 ( 0.287 0.287 0.000) 0.405 18.749 ( 0.217 0.217 0.000) 0.307 18.958 ( -0.033 -0.033 -0.000) 0.046 18.959 ( -0.067 -0.067 0.000) 0.095 18.979 ( -0.034 -0.034 0.000) 0.049 18.979 ( -0.063 -0.063 0.000) 0.090 19.563 ( 0.005 0.005 0.000) 0.007 19.565 ( -0.194 -0.194 0.000) 0.275 19.580 ( 0.149 0.149 0.000) 0.210 19.582 ( -0.054 -0.054 0.000) 0.076 21.633 ( 0.276 0.276 0.000) 0.390 21.635 ( 0.102 0.102 0.000) 0.144 21.749 ( 0.188 0.188 0.000) 0.266 21.760 ( -0.611 -0.611 0.000) 0.864 21.854 ( -0.120 -0.120 0.000) 0.170 21.877 ( -2.060 -2.060 0.000) 2.913 22.145 ( 1.284 1.284 0.000) 1.816 22.154 ( 0.454 0.454 0.000) 0.642 22.605 ( -0.085 -0.085 -0.095) 0.154 22.605 ( -0.085 -0.085 0.095) 0.154 22.672 ( 0.139 0.139 0.000) 0.197 22.673 ( 0.057 0.057 0.000) 0.080 23.375 ( 0.369 0.369 0.000) 0.522 23.376 ( 0.283 0.283 0.000) 0.400 23.431 ( -0.229 -0.229 0.000) 0.324 23.432 ( -0.275 -0.275 -0.000) 0.389 24.815 ( 0.029 0.029 0.000) 0.042 24.816 ( -0.009 -0.009 0.000) 0.012 24.855 ( -0.010 -0.010 0.000) 0.014 24.855 ( -0.029 -0.029 -0.000) 0.041 25.325 ( 0.055 0.055 0.000) 0.078 25.332 ( -0.498 -0.498 0.000) 0.704 25.378 ( 0.506 0.506 0.000) 0.716 25.383 ( 0.024 0.024 0.000) 0.033 27.690 ( -0.019 -0.019 0.000) 0.027 27.690 ( -0.014 -0.014 0.000) 0.019 27.765 ( 0.114 0.114 0.000) 0.161 27.766 ( 0.077 0.077 0.000) 0.108 28.302 ( 0.010 0.010 0.000) 0.015 28.303 ( -0.035 -0.035 0.000) 0.050 28.409 ( -0.035 -0.035 -0.000) 0.049 28.410 ( -0.079 -0.079 0.000) 0.112 43.287 ( 4.920 4.920 -0.000) 6.958 43.430 ( -7.637 -7.637 0.000) 10.801 43.810 ( 8.212 8.212 0.000) 11.614 43.952 ( -4.311 -4.311 0.000) 6.097 51.744 ( -1.656 -1.656 0.000) 2.342 51.777 ( -4.550 -4.550 0.000) 6.435 52.506 ( 4.299 4.299 0.000) 6.080 52.533 ( 1.820 1.820 0.000) 2.574 53.854 ( 0.156 0.156 0.000) 0.220 53.856 ( -0.030 -0.030 0.000) 0.042 54.289 ( -0.008 -0.008 0.000) 0.011 54.289 ( -0.061 -0.061 0.000) 0.086 54.350 ( 0.025 0.025 -0.000) 0.035 54.364 ( -1.195 -1.195 0.000) 1.690 55.194 ( 1.277 1.277 0.000) 1.806 55.208 ( 0.153 0.153 0.000) 0.216 56.789 ( 0.020 0.020 0.000) 0.028 56.794 ( -0.339 -0.339 0.000) 0.479 56.896 ( 0.179 0.179 0.000) 0.253 56.897 ( 0.077 0.077 -0.000) 0.110 60.885 ( 0.462 0.462 0.000) 0.653 60.894 ( -0.137 -0.137 0.000) 0.194 60.908 ( 0.154 0.154 0.000) 0.218 60.917 ( -0.467 -0.467 -0.000) 0.660 61.748 ( 0.081 0.081 0.000) 0.114 61.758 ( -0.730 -0.730 0.000) 1.033 61.860 ( 0.502 0.502 0.000) 0.710 61.869 ( -0.318 -0.318 0.000) 0.449 =================== 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 3/33000 10.0 253.169 253.169 289.797 0.000 0.000 0.000 3/33000 20.0 62.999 62.999 63.410 0.000 0.000 0.000 3/33000 30.0 26.764 26.764 28.599 0.000 0.000 0.000 3/33000 40.0 15.114 15.114 16.969 0.000 -0.000 0.000 3/33000 50.0 10.186 10.186 11.781 0.000 -0.000 0.000 3/33000 60.0 7.634 7.634 8.992 0.000 -0.000 0.000 3/33000 70.0 6.111 6.111 7.285 0.000 -0.000 0.000 3/33000 80.0 5.106 5.106 6.138 0.000 -0.000 0.000 3/33000 90.0 4.392 4.392 5.315 0.000 -0.000 0.000 3/33000 100.0 3.856 3.856 4.692 0.000 -0.000 0.000 3/33000 110.0 3.438 3.438 4.203 0.000 -0.000 0.000 3/33000 120.0 3.101 3.101 3.808 0.000 -0.000 0.000 3/33000 130.0 2.824 2.824 3.481 0.000 -0.000 0.000 3/33000 140.0 2.591 2.591 3.206 0.000 -0.000 0.000 3/33000 150.0 2.393 2.393 2.971 0.000 -0.000 0.000 3/33000 160.0 2.221 2.221 2.768 0.000 -0.000 0.000 3/33000 170.0 2.072 2.072 2.591 0.000 -0.000 0.000 3/33000 180.0 1.941 1.941 2.435 0.000 -0.000 0.000 3/33000 190.0 1.824 1.824 2.297 0.000 -0.000 0.000 3/33000 200.0 1.721 1.721 2.174 0.000 -0.000 0.000 3/33000 210.0 1.628 1.628 2.063 0.000 -0.000 0.000 3/33000 220.0 1.544 1.544 1.963 0.000 -0.000 0.000 3/33000 230.0 1.469 1.469 1.873 0.000 -0.000 0.000 3/33000 240.0 1.400 1.400 1.790 0.000 -0.000 0.000 3/33000 250.0 1.337 1.337 1.715 0.000 -0.000 0.000 3/33000 260.0 1.280 1.280 1.646 0.000 -0.000 0.000 3/33000 270.0 1.227 1.227 1.582 0.000 -0.000 0.000 3/33000 280.0 1.179 1.179 1.524 0.000 -0.000 0.000 3/33000 290.0 1.134 1.134 1.469 0.000 -0.000 0.000 3/33000 300.0 1.093 1.093 1.419 0.000 -0.000 0.000 3/33000 310.0 1.054 1.054 1.372 0.000 -0.000 0.000 3/33000 320.0 1.019 1.019 1.328 0.000 -0.000 0.000 3/33000 330.0 0.985 0.985 1.288 0.000 -0.000 0.000 3/33000 340.0 0.954 0.954 1.249 0.000 -0.000 0.000 3/33000 350.0 0.925 0.925 1.214 0.000 -0.000 0.000 3/33000 360.0 0.898 0.898 1.180 0.000 -0.000 0.000 3/33000 370.0 0.872 0.872 1.148 0.000 -0.000 0.000 3/33000 380.0 0.848 0.848 1.118 0.000 -0.000 0.000 3/33000 390.0 0.826 0.826 1.090 0.000 -0.000 0.000 3/33000 400.0 0.804 0.804 1.063 0.000 -0.000 0.000 3/33000 410.0 0.784 0.784 1.038 0.000 -0.000 0.000 3/33000 420.0 0.765 0.765 1.014 0.000 -0.000 0.000 3/33000 430.0 0.747 0.747 0.991 0.000 -0.000 0.000 3/33000 440.0 0.729 0.729 0.970 0.000 -0.000 0.000 3/33000 450.0 0.713 0.713 0.949 0.000 -0.000 0.000 3/33000 460.0 0.697 0.697 0.930 0.000 -0.000 0.000 3/33000 470.0 0.682 0.682 0.911 0.000 -0.000 0.000 3/33000 480.0 0.668 0.668 0.893 0.000 -0.000 0.000 3/33000 490.0 0.655 0.655 0.876 0.000 -0.000 0.000 3/33000 500.0 0.642 0.642 0.859 0.000 -0.000 0.000 3/33000 510.0 0.629 0.629 0.844 0.000 -0.000 0.000 3/33000 520.0 0.617 0.617 0.829 0.000 -0.000 0.000 3/33000 530.0 0.606 0.606 0.814 0.000 -0.000 0.000 3/33000 540.0 0.595 0.595 0.800 0.000 -0.000 0.000 3/33000 550.0 0.584 0.584 0.787 0.000 -0.000 0.000 3/33000 560.0 0.574 0.574 0.774 0.000 -0.000 0.000 3/33000 570.0 0.564 0.564 0.761 0.000 -0.000 0.000 3/33000 580.0 0.555 0.555 0.749 0.000 -0.000 0.000 3/33000 590.0 0.546 0.546 0.738 0.000 -0.000 0.000 3/33000 600.0 0.537 0.537 0.727 0.000 -0.000 0.000 3/33000 610.0 0.528 0.528 0.716 0.000 -0.000 0.000 3/33000 620.0 0.520 0.520 0.705 0.000 -0.000 0.000 3/33000 630.0 0.512 0.512 0.695 0.000 -0.000 0.000 3/33000 640.0 0.505 0.505 0.685 0.000 -0.000 0.000 3/33000 650.0 0.497 0.497 0.676 0.000 -0.000 0.000 3/33000 660.0 0.490 0.490 0.667 0.000 -0.000 0.000 3/33000 670.0 0.483 0.483 0.658 0.000 -0.000 0.000 3/33000 680.0 0.476 0.476 0.649 0.000 -0.000 0.000 3/33000 690.0 0.470 0.470 0.641 0.000 -0.000 0.000 3/33000 700.0 0.463 0.463 0.632 0.000 -0.000 0.000 3/33000 710.0 0.457 0.457 0.624 0.000 -0.000 0.000 3/33000 720.0 0.451 0.451 0.617 0.000 -0.000 0.000 3/33000 730.0 0.445 0.445 0.609 0.000 -0.000 0.000 3/33000 740.0 0.440 0.440 0.602 0.000 -0.000 0.000 3/33000 750.0 0.434 0.434 0.594 0.000 -0.000 0.000 3/33000 760.0 0.429 0.429 0.588 0.000 -0.000 0.000 3/33000 770.0 0.423 0.423 0.581 0.000 -0.000 0.000 3/33000 780.0 0.418 0.418 0.574 0.000 -0.000 0.000 3/33000 790.0 0.413 0.413 0.568 0.000 -0.000 0.000 3/33000 800.0 0.408 0.408 0.561 0.000 -0.000 0.000 3/33000 810.0 0.404 0.404 0.555 0.000 -0.000 0.000 3/33000 820.0 0.399 0.399 0.549 0.000 -0.000 0.000 3/33000 830.0 0.394 0.394 0.543 0.000 -0.000 0.000 3/33000 840.0 0.390 0.390 0.537 0.000 -0.000 0.000 3/33000 850.0 0.386 0.386 0.532 0.000 -0.000 0.000 3/33000 860.0 0.381 0.381 0.526 0.000 -0.000 0.000 3/33000 870.0 0.377 0.377 0.521 0.000 -0.000 0.000 3/33000 880.0 0.373 0.373 0.515 0.000 -0.000 0.000 3/33000 890.0 0.369 0.369 0.510 0.000 -0.000 0.000 3/33000 900.0 0.365 0.365 0.505 0.000 -0.000 0.000 3/33000 910.0 0.362 0.362 0.500 0.000 -0.000 0.000 3/33000 920.0 0.358 0.358 0.495 0.000 -0.000 0.000 3/33000 930.0 0.354 0.354 0.490 0.000 -0.000 0.000 3/33000 940.0 0.351 0.351 0.486 0.000 -0.000 0.000 3/33000 950.0 0.347 0.347 0.481 0.000 -0.000 0.000 3/33000 960.0 0.344 0.344 0.477 0.000 -0.000 0.000 3/33000 970.0 0.341 0.341 0.472 0.000 -0.000 0.000 3/33000 980.0 0.337 0.337 0.468 0.000 -0.000 0.000 3/33000 990.0 0.334 0.334 0.464 0.000 -0.000 0.000 3/33000 1000.0 0.331 0.331 0.460 0.000 -0.000 0.000 3/33000 Thermal conductivity related properties were written into "kappa-m5510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:09:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|