----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:49:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.261564680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274228459999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.122013369999998 Atomic positions (fractional): *1 O 0.26829893271856 0.57629924847741 0.46677664486566 15.999 2 O 0.26829893271856 0.92370075152259 0.53322335513434 15.999 3 O 0.73170106728144 0.07629924847741 0.03322335513434 15.999 4 O 0.73170106728144 0.42370075152259 0.96677664486566 15.999 5 O 0.73170106728144 0.42370075152259 0.53322335513434 15.999 6 O 0.73170106728144 0.07629924847741 0.46677664486566 15.999 7 O 0.26829893271856 0.92370075152259 0.96677664486566 15.999 8 O 0.26829893271856 0.57629924847741 0.03322335513434 15.999 *9 O 0.04935785254840 0.26731625264691 0.38305362172597 15.999 10 O 0.04935785254840 0.26731625264691 0.11694637827403 15.999 11 O 0.95064214745160 0.76731625264691 0.11694637827403 15.999 12 O 0.95064214745160 0.73268374735309 0.88305362172597 15.999 13 O 0.95064214745160 0.73268374735309 0.61694637827403 15.999 14 O 0.95064214745160 0.76731625264691 0.38305362172597 15.999 15 O 0.04935785254840 0.23268374735309 0.88305362172597 15.999 16 O 0.04935785254840 0.23268374735309 0.61694637827403 15.999 *17 Si 0.11167087100266 0.75000000000000 0.00000000000000 28.085 18 Si 0.88832912899734 0.25000000000000 0.00000000000000 28.085 19 Si 0.88832912899734 0.25000000000000 0.50000000000000 28.085 20 Si 0.11167087100266 0.75000000000000 0.50000000000000 28.085 *21 Se 0.58289263337937 0.10157075516239 0.75000000000000 78.960 22 Se 0.58289263337937 0.39842924483761 0.25000000000000 78.960 23 Se 0.41710736662063 0.60157075516239 0.75000000000000 78.960 24 Se 0.41710736662063 0.89842924483761 0.25000000000000 78.960 *25 La 0.39336211072470 0.25000000000000 0.50000000000000 138.905 26 La 0.39336211072470 0.25000000000000 0.00000000000000 138.905 27 La 0.60663788927530 0.75000000000000 0.50000000000000 138.905 28 La 0.60663788927530 0.75000000000000 0.00000000000000 138.905 *29 La 0.87386452382485 0.46297817637855 0.75000000000000 138.905 30 La 0.87386452382485 0.03702182362145 0.25000000000000 138.905 31 La 0.12613547617515 0.96297817637855 0.75000000000000 138.905 32 La 0.12613547617515 0.53702182362145 0.25000000000000 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.261564680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274228459999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.122013369999998 Atomic positions (fractional): *1 O 0.26829893271856 0.57629924847741 0.46677664486566 15.999 > 1 2 O 0.26829893271856 0.92370075152259 0.53322335513434 15.999 > 2 3 O 0.73170106728144 0.07629924847741 0.03322335513434 15.999 > 3 4 O 0.73170106728144 0.42370075152259 0.96677664486566 15.999 > 4 5 O 0.73170106728144 0.42370075152259 0.53322335513434 15.999 > 5 6 O 0.73170106728144 0.07629924847741 0.46677664486566 15.999 > 6 7 O 0.26829893271856 0.92370075152259 0.96677664486566 15.999 > 7 8 O 0.26829893271856 0.57629924847741 0.03322335513434 15.999 > 8 *9 O 0.04935785254840 0.26731625264691 0.38305362172597 15.999 > 9 10 O 0.04935785254840 0.26731625264691 0.11694637827403 15.999 > 10 11 O 0.95064214745160 0.76731625264691 0.11694637827403 15.999 > 11 12 O 0.95064214745160 0.73268374735309 0.88305362172597 15.999 > 12 13 O 0.95064214745160 0.73268374735309 0.61694637827403 15.999 > 13 14 O 0.95064214745160 0.76731625264691 0.38305362172597 15.999 > 14 15 O 0.04935785254840 0.23268374735309 0.88305362172597 15.999 > 15 16 O 0.04935785254840 0.23268374735309 0.61694637827403 15.999 > 16 *17 Si 0.11167087100266 0.75000000000000 0.00000000000000 28.085 > 17 18 Si 0.88832912899734 0.25000000000000 0.00000000000000 28.085 > 18 19 Si 0.88832912899734 0.25000000000000 0.50000000000000 28.085 > 19 20 Si 0.11167087100266 0.75000000000000 0.50000000000000 28.085 > 20 *21 Se 0.58289263337937 0.10157075516239 0.75000000000000 78.960 > 21 22 Se 0.58289263337937 0.39842924483761 0.25000000000000 78.960 > 22 23 Se 0.41710736662063 0.60157075516239 0.75000000000000 78.960 > 23 24 Se 0.41710736662063 0.89842924483761 0.25000000000000 78.960 > 24 *25 La 0.39336211072470 0.25000000000000 0.50000000000000 138.905 > 25 26 La 0.39336211072470 0.25000000000000 0.00000000000000 138.905 > 26 27 La 0.60663788927530 0.75000000000000 0.50000000000000 138.905 > 27 28 La 0.60663788927530 0.75000000000000 0.00000000000000 138.905 > 28 *29 La 0.87386452382485 0.46297817637855 0.75000000000000 138.905 > 29 30 La 0.87386452382485 0.03702182362145 0.25000000000000 138.905 > 30 31 La 0.12613547617515 0.96297817637855 0.75000000000000 138.905 > 31 32 La 0.12613547617515 0.53702182362145 0.25000000000000 138.905 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.523129360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.548456919999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.122013369999998 Atomic positions (fractional): *1 O 0.13414946635928 0.28814962423871 0.46677664486566 15.999 > 1 2 O 0.63414946635928 0.28814962423871 0.46677664486566 15.999 > 1 3 O 0.13414946635928 0.78814962423871 0.46677664486566 15.999 > 1 4 O 0.63414946635928 0.78814962423871 0.46677664486566 15.999 > 1 5 O 0.13414946635928 0.46185037576129 0.53322335513434 15.999 > 2 6 O 0.63414946635928 0.46185037576129 0.53322335513434 15.999 > 2 7 O 0.13414946635928 0.96185037576129 0.53322335513434 15.999 > 2 8 O 0.63414946635928 0.96185037576129 0.53322335513434 15.999 > 2 9 O 0.36585053364072 0.03814962423871 0.03322335513434 15.999 > 3 10 O 0.86585053364072 0.03814962423871 0.03322335513434 15.999 > 3 11 O 0.36585053364072 0.53814962423871 0.03322335513434 15.999 > 3 12 O 0.86585053364072 0.53814962423871 0.03322335513434 15.999 > 3 13 O 0.36585053364072 0.21185037576129 0.96677664486566 15.999 > 4 14 O 0.86585053364072 0.21185037576129 0.96677664486566 15.999 > 4 15 O 0.36585053364072 0.71185037576129 0.96677664486566 15.999 > 4 16 O 0.86585053364072 0.71185037576129 0.96677664486566 15.999 > 4 17 O 0.36585053364072 0.21185037576129 0.53322335513434 15.999 > 5 18 O 0.86585053364072 0.21185037576129 0.53322335513434 15.999 > 5 19 O 0.36585053364072 0.71185037576129 0.53322335513434 15.999 > 5 20 O 0.86585053364072 0.71185037576129 0.53322335513434 15.999 > 5 21 O 0.36585053364072 0.03814962423871 0.46677664486566 15.999 > 6 22 O 0.86585053364072 0.03814962423871 0.46677664486566 15.999 > 6 23 O 0.36585053364072 0.53814962423871 0.46677664486566 15.999 > 6 24 O 0.86585053364072 0.53814962423871 0.46677664486566 15.999 > 6 25 O 0.13414946635928 0.46185037576129 0.96677664486566 15.999 > 7 26 O 0.63414946635928 0.46185037576129 0.96677664486566 15.999 > 7 27 O 0.13414946635928 0.96185037576129 0.96677664486566 15.999 > 7 28 O 0.63414946635928 0.96185037576129 0.96677664486566 15.999 > 7 29 O 0.13414946635928 0.28814962423871 0.03322335513434 15.999 > 8 30 O 0.63414946635928 0.28814962423871 0.03322335513434 15.999 > 8 31 O 0.13414946635928 0.78814962423871 0.03322335513434 15.999 > 8 32 O 0.63414946635928 0.78814962423871 0.03322335513434 15.999 > 8 *33 O 0.02467892627420 0.13365812632345 0.38305362172597 15.999 > 9 34 O 0.52467892627420 0.13365812632345 0.38305362172597 15.999 > 9 35 O 0.02467892627420 0.63365812632345 0.38305362172597 15.999 > 9 36 O 0.52467892627420 0.63365812632345 0.38305362172597 15.999 > 9 37 O 0.02467892627420 0.13365812632345 0.11694637827403 15.999 > 10 38 O 0.52467892627420 0.13365812632345 0.11694637827403 15.999 > 10 39 O 0.02467892627420 0.63365812632345 0.11694637827403 15.999 > 10 40 O 0.52467892627420 0.63365812632345 0.11694637827403 15.999 > 10 41 O 0.47532107372580 0.38365812632345 0.11694637827403 15.999 > 11 42 O 0.97532107372580 0.38365812632345 0.11694637827403 15.999 > 11 43 O 0.47532107372580 0.88365812632345 0.11694637827403 15.999 > 11 44 O 0.97532107372580 0.88365812632345 0.11694637827403 15.999 > 11 45 O 0.47532107372580 0.36634187367655 0.88305362172597 15.999 > 12 46 O 0.97532107372580 0.36634187367655 0.88305362172597 15.999 > 12 47 O 0.47532107372580 0.86634187367655 0.88305362172597 15.999 > 12 48 O 0.97532107372580 0.86634187367655 0.88305362172597 15.999 > 12 49 O 0.47532107372580 0.36634187367655 0.61694637827403 15.999 > 13 50 O 0.97532107372580 0.36634187367655 0.61694637827403 15.999 > 13 51 O 0.47532107372580 0.86634187367655 0.61694637827403 15.999 > 13 52 O 0.97532107372580 0.86634187367655 0.61694637827403 15.999 > 13 53 O 0.47532107372580 0.38365812632345 0.38305362172597 15.999 > 14 54 O 0.97532107372580 0.38365812632345 0.38305362172597 15.999 > 14 55 O 0.47532107372580 0.88365812632345 0.38305362172597 15.999 > 14 56 O 0.97532107372580 0.88365812632345 0.38305362172597 15.999 > 14 57 O 0.02467892627420 0.11634187367655 0.88305362172597 15.999 > 15 58 O 0.52467892627420 0.11634187367655 0.88305362172597 15.999 > 15 59 O 0.02467892627420 0.61634187367655 0.88305362172597 15.999 > 15 60 O 0.52467892627420 0.61634187367655 0.88305362172597 15.999 > 15 61 O 0.02467892627420 0.11634187367655 0.61694637827403 15.999 > 16 62 O 0.52467892627420 0.11634187367655 0.61694637827403 15.999 > 16 63 O 0.02467892627420 0.61634187367655 0.61694637827403 15.999 > 16 64 O 0.52467892627420 0.61634187367655 0.61694637827403 15.999 > 16 *65 Si 0.05583543550133 0.37500000000000 0.00000000000000 28.085 > 17 66 Si 0.55583543550133 0.37500000000000 0.00000000000000 28.085 > 17 67 Si 0.05583543550133 0.87500000000000 0.00000000000000 28.085 > 17 68 Si 0.55583543550133 0.87500000000000 0.00000000000000 28.085 > 17 69 Si 0.44416456449867 0.12500000000000 0.00000000000000 28.085 > 18 70 Si 0.94416456449867 0.12500000000000 0.00000000000000 28.085 > 18 71 Si 0.44416456449867 0.62500000000000 0.00000000000000 28.085 > 18 72 Si 0.94416456449867 0.62500000000000 0.00000000000000 28.085 > 18 73 Si 0.44416456449867 0.12500000000000 0.50000000000000 28.085 > 19 74 Si 0.94416456449867 0.12500000000000 0.50000000000000 28.085 > 19 75 Si 0.44416456449867 0.62500000000000 0.50000000000000 28.085 > 19 76 Si 0.94416456449867 0.62500000000000 0.50000000000000 28.085 > 19 77 Si 0.05583543550133 0.37500000000000 0.50000000000000 28.085 > 20 78 Si 0.55583543550133 0.37500000000000 0.50000000000000 28.085 > 20 79 Si 0.05583543550133 0.87500000000000 0.50000000000000 28.085 > 20 80 Si 0.55583543550133 0.87500000000000 0.50000000000000 28.085 > 20 *81 Se 0.29144631668968 0.05078537758119 0.75000000000000 78.960 > 21 82 Se 0.79144631668968 0.05078537758119 0.75000000000000 78.960 > 21 83 Se 0.29144631668968 0.55078537758119 0.75000000000000 78.960 > 21 84 Se 0.79144631668968 0.55078537758119 0.75000000000000 78.960 > 21 85 Se 0.29144631668968 0.19921462241881 0.25000000000000 78.960 > 22 86 Se 0.79144631668968 0.19921462241881 0.25000000000000 78.960 > 22 87 Se 0.29144631668968 0.69921462241881 0.25000000000000 78.960 > 22 88 Se 0.79144631668968 0.69921462241881 0.25000000000000 78.960 > 22 89 Se 0.20855368331032 0.30078537758119 0.75000000000000 78.960 > 23 90 Se 0.70855368331032 0.30078537758119 0.75000000000000 78.960 > 23 91 Se 0.20855368331032 0.80078537758119 0.75000000000000 78.960 > 23 92 Se 0.70855368331032 0.80078537758119 0.75000000000000 78.960 > 23 93 Se 0.20855368331032 0.44921462241881 0.25000000000000 78.960 > 24 94 Se 0.70855368331032 0.44921462241881 0.25000000000000 78.960 > 24 95 Se 0.20855368331032 0.94921462241881 0.25000000000000 78.960 > 24 96 Se 0.70855368331032 0.94921462241881 0.25000000000000 78.960 > 24 *97 La 0.19668105536235 0.12500000000000 0.50000000000000 138.905 > 25 98 La 0.69668105536235 0.12500000000000 0.50000000000000 138.905 > 25 99 La 0.19668105536235 0.62500000000000 0.50000000000000 138.905 > 25 100 La 0.69668105536235 0.62500000000000 0.50000000000000 138.905 > 25 101 La 0.19668105536235 0.12500000000000 0.00000000000000 138.905 > 26 102 La 0.69668105536235 0.12500000000000 0.00000000000000 138.905 > 26 103 La 0.19668105536235 0.62500000000000 0.00000000000000 138.905 > 26 104 La 0.69668105536235 0.62500000000000 0.00000000000000 138.905 > 26 105 La 0.30331894463765 0.37500000000000 0.50000000000000 138.905 > 27 106 La 0.80331894463765 0.37500000000000 0.50000000000000 138.905 > 27 107 La 0.30331894463765 0.87500000000000 0.50000000000000 138.905 > 27 108 La 0.80331894463765 0.87500000000000 0.50000000000000 138.905 > 27 109 La 0.30331894463765 0.37500000000000 0.00000000000000 138.905 > 28 110 La 0.80331894463765 0.37500000000000 0.00000000000000 138.905 > 28 111 La 0.30331894463765 0.87500000000000 0.00000000000000 138.905 > 28 112 La 0.80331894463765 0.87500000000000 0.00000000000000 138.905 > 28 *113 La 0.43693226191242 0.23148908818928 0.75000000000000 138.905 > 29 114 La 0.93693226191242 0.23148908818928 0.75000000000000 138.905 > 29 115 La 0.43693226191242 0.73148908818928 0.75000000000000 138.905 > 29 116 La 0.93693226191242 0.73148908818928 0.75000000000000 138.905 > 29 117 La 0.43693226191242 0.01851091181072 0.25000000000000 138.905 > 30 118 La 0.93693226191242 0.01851091181072 0.25000000000000 138.905 > 30 119 La 0.43693226191242 0.51851091181072 0.25000000000000 138.905 > 30 120 La 0.93693226191242 0.51851091181072 0.25000000000000 138.905 > 30 121 La 0.06306773808758 0.48148908818928 0.75000000000000 138.905 > 31 122 La 0.56306773808758 0.48148908818928 0.75000000000000 138.905 > 31 123 La 0.06306773808758 0.98148908818928 0.75000000000000 138.905 > 31 124 La 0.56306773808758 0.98148908818928 0.75000000000000 138.905 > 31 125 La 0.06306773808758 0.26851091181072 0.25000000000000 138.905 > 32 126 La 0.56306773808758 0.26851091181072 0.25000000000000 138.905 > 32 127 La 0.06306773808758 0.76851091181072 0.25000000000000 138.905 > 32 128 La 0.56306773808758 0.76851091181072 0.25000000000000 138.905 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3810586 0.0000000 0.0000000 0.0000000 5.4570728 0.0000000 0.0000000 0.0000000 5.4006659 -------------------------- Born effective charges -------------------------- 1 O -2.2315998 0.2435622 -0.1485883 0.3210292 -2.5817839 -0.2155985 -0.1529784 -0.1867972 -2.3186737 2 O -2.2315998 -0.2435622 0.1485883 -0.3210292 -2.5817839 -0.2155985 0.1529784 -0.1867972 -2.3186737 3 O -2.2315998 -0.2435622 -0.1485883 -0.3210292 -2.5817839 0.2155985 -0.1529784 0.1867972 -2.3186737 4 O -2.2315998 0.2435622 0.1485883 0.3210292 -2.5817839 0.2155985 0.1529784 0.1867972 -2.3186737 5 O -2.2315998 0.2435622 -0.1485883 0.3210292 -2.5817839 -0.2155985 -0.1529784 -0.1867972 -2.3186737 6 O -2.2315998 -0.2435622 0.1485883 -0.3210292 -2.5817839 -0.2155985 0.1529784 -0.1867972 -2.3186737 7 O -2.2315998 -0.2435622 -0.1485883 -0.3210292 -2.5817839 0.2155985 -0.1529784 0.1867972 -2.3186737 8 O -2.2315998 0.2435622 0.1485883 0.3210292 -2.5817839 0.2155985 0.1529784 0.1867972 -2.3186737 9 O -2.7376959 -0.4680993 -0.0256893 -0.2664153 -1.9820504 0.1416604 -0.0986274 0.0751524 -2.5206251 10 O -2.7376959 -0.4680993 0.0256893 -0.2664153 -1.9820504 -0.1416604 0.0986274 -0.0751524 -2.5206251 11 O -2.7376959 0.4680993 -0.0256893 0.2664153 -1.9820504 -0.1416604 -0.0986274 -0.0751524 -2.5206251 12 O -2.7376959 -0.4680993 0.0256893 -0.2664153 -1.9820504 -0.1416604 0.0986274 -0.0751524 -2.5206251 13 O -2.7376959 -0.4680993 -0.0256893 -0.2664153 -1.9820504 0.1416604 -0.0986274 0.0751524 -2.5206251 14 O -2.7376959 0.4680993 0.0256893 0.2664153 -1.9820504 0.1416604 0.0986274 0.0751524 -2.5206251 15 O -2.7376959 0.4680993 -0.0256893 0.2664153 -1.9820504 -0.1416604 -0.0986274 -0.0751524 -2.5206251 16 O -2.7376959 0.4680993 0.0256893 0.2664153 -1.9820504 0.1416604 0.0986274 0.0751524 -2.5206251 17 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 -0.0296660 0.0000000 -0.2273651 3.6216648 18 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 -0.0296660 0.0000000 -0.2273651 3.6216648 19 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 0.0296660 0.0000000 0.2273651 3.6216648 20 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 0.0296660 0.0000000 0.2273651 3.6216648 21 Se -2.4549002 -0.2736554 0.0000000 -0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 22 Se -2.4549002 0.2736554 0.0000000 0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 23 Se -2.4549002 0.2736554 0.0000000 0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 24 Se -2.4549002 -0.2736554 0.0000000 -0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 25 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 -0.0061371 0.0000000 -0.1800742 4.3784471 26 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 0.0061371 0.0000000 0.1800742 4.3784471 27 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 -0.0061371 0.0000000 -0.1800742 4.3784471 28 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 0.0061371 0.0000000 0.1800742 4.3784471 29 La 4.3897624 0.2076332 0.0000000 0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 30 La 4.3897624 -0.2076332 0.0000000 -0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 31 La 4.3897624 -0.2076332 0.0000000 -0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 32 La 4.3897624 0.2076332 0.0000000 0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.809 Solver_block: 200 / 480 - Time: 0.737 Solver_block: 300 / 480 - Time: 0.755 Solver_block: 400 / 480 - Time: 0.785 Solver_block: 480 / 480 - Time: 0.622 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.805 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), 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 03:49:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:49:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.261564680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274228459999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.122013369999998 Atomic positions (fractional): 1 O 0.26829893271856 0.57629924847741 0.46677664486566 15.999 2 O 0.26829893271856 0.92370075152259 0.53322335513434 15.999 3 O 0.73170106728144 0.07629924847741 0.03322335513434 15.999 4 O 0.73170106728144 0.42370075152259 0.96677664486566 15.999 5 O 0.73170106728144 0.42370075152259 0.53322335513434 15.999 6 O 0.73170106728144 0.07629924847741 0.46677664486566 15.999 7 O 0.26829893271856 0.92370075152259 0.96677664486566 15.999 8 O 0.26829893271856 0.57629924847741 0.03322335513434 15.999 9 O 0.04935785254840 0.26731625264691 0.38305362172597 15.999 10 O 0.04935785254840 0.26731625264691 0.11694637827403 15.999 11 O 0.95064214745160 0.76731625264691 0.11694637827403 15.999 12 O 0.95064214745160 0.73268374735309 0.88305362172597 15.999 13 O 0.95064214745160 0.73268374735309 0.61694637827403 15.999 14 O 0.95064214745160 0.76731625264691 0.38305362172597 15.999 15 O 0.04935785254840 0.23268374735309 0.88305362172597 15.999 16 O 0.04935785254840 0.23268374735309 0.61694637827403 15.999 17 Si 0.11167087100266 0.75000000000000 0.00000000000000 28.085 18 Si 0.88832912899734 0.25000000000000 0.00000000000000 28.085 19 Si 0.88832912899734 0.25000000000000 0.50000000000000 28.085 20 Si 0.11167087100266 0.75000000000000 0.50000000000000 28.085 21 Se 0.58289263337937 0.10157075516239 0.75000000000000 78.960 22 Se 0.58289263337937 0.39842924483761 0.25000000000000 78.960 23 Se 0.41710736662063 0.60157075516239 0.75000000000000 78.960 24 Se 0.41710736662063 0.89842924483761 0.25000000000000 78.960 25 La 0.39336211072470 0.25000000000000 0.50000000000000 138.905 26 La 0.39336211072470 0.25000000000000 0.00000000000000 138.905 27 La 0.60663788927530 0.75000000000000 0.50000000000000 138.905 28 La 0.60663788927530 0.75000000000000 0.00000000000000 138.905 29 La 0.87386452382485 0.46297817637855 0.75000000000000 138.905 30 La 0.87386452382485 0.03702182362145 0.25000000000000 138.905 31 La 0.12613547617515 0.96297817637855 0.75000000000000 138.905 32 La 0.12613547617515 0.53702182362145 0.25000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.523129360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.548456919999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.122013369999998 Atomic positions (fractional): 1 O 0.13414946635928 0.28814962423871 0.46677664486566 15.999 > 1 2 O 0.63414946635928 0.28814962423871 0.46677664486566 15.999 > 1 3 O 0.13414946635928 0.78814962423871 0.46677664486566 15.999 > 1 4 O 0.63414946635928 0.78814962423871 0.46677664486566 15.999 > 1 5 O 0.13414946635928 0.46185037576129 0.53322335513434 15.999 > 5 6 O 0.63414946635928 0.46185037576129 0.53322335513434 15.999 > 5 7 O 0.13414946635928 0.96185037576129 0.53322335513434 15.999 > 5 8 O 0.63414946635928 0.96185037576129 0.53322335513434 15.999 > 5 9 O 0.36585053364072 0.03814962423871 0.03322335513434 15.999 > 9 10 O 0.86585053364072 0.03814962423871 0.03322335513434 15.999 > 9 11 O 0.36585053364072 0.53814962423871 0.03322335513434 15.999 > 9 12 O 0.86585053364072 0.53814962423871 0.03322335513434 15.999 > 9 13 O 0.36585053364072 0.21185037576129 0.96677664486566 15.999 > 13 14 O 0.86585053364072 0.21185037576129 0.96677664486566 15.999 > 13 15 O 0.36585053364072 0.71185037576129 0.96677664486566 15.999 > 13 16 O 0.86585053364072 0.71185037576129 0.96677664486566 15.999 > 13 17 O 0.36585053364072 0.21185037576129 0.53322335513434 15.999 > 17 18 O 0.86585053364072 0.21185037576129 0.53322335513434 15.999 > 17 19 O 0.36585053364072 0.71185037576129 0.53322335513434 15.999 > 17 20 O 0.86585053364072 0.71185037576129 0.53322335513434 15.999 > 17 21 O 0.36585053364072 0.03814962423871 0.46677664486566 15.999 > 21 22 O 0.86585053364072 0.03814962423871 0.46677664486566 15.999 > 21 23 O 0.36585053364072 0.53814962423871 0.46677664486566 15.999 > 21 24 O 0.86585053364072 0.53814962423871 0.46677664486566 15.999 > 21 25 O 0.13414946635928 0.46185037576129 0.96677664486566 15.999 > 25 26 O 0.63414946635928 0.46185037576129 0.96677664486566 15.999 > 25 27 O 0.13414946635928 0.96185037576129 0.96677664486566 15.999 > 25 28 O 0.63414946635928 0.96185037576129 0.96677664486566 15.999 > 25 29 O 0.13414946635928 0.28814962423871 0.03322335513434 15.999 > 29 30 O 0.63414946635928 0.28814962423871 0.03322335513434 15.999 > 29 31 O 0.13414946635928 0.78814962423871 0.03322335513434 15.999 > 29 32 O 0.63414946635928 0.78814962423871 0.03322335513434 15.999 > 29 33 O 0.02467892627420 0.13365812632345 0.38305362172597 15.999 > 33 34 O 0.52467892627420 0.13365812632345 0.38305362172597 15.999 > 33 35 O 0.02467892627420 0.63365812632345 0.38305362172597 15.999 > 33 36 O 0.52467892627420 0.63365812632345 0.38305362172597 15.999 > 33 37 O 0.02467892627420 0.13365812632345 0.11694637827403 15.999 > 37 38 O 0.52467892627420 0.13365812632345 0.11694637827403 15.999 > 37 39 O 0.02467892627420 0.63365812632345 0.11694637827403 15.999 > 37 40 O 0.52467892627420 0.63365812632345 0.11694637827403 15.999 > 37 41 O 0.47532107372580 0.38365812632345 0.11694637827403 15.999 > 41 42 O 0.97532107372580 0.38365812632345 0.11694637827403 15.999 > 41 43 O 0.47532107372580 0.88365812632345 0.11694637827403 15.999 > 41 44 O 0.97532107372580 0.88365812632345 0.11694637827403 15.999 > 41 45 O 0.47532107372580 0.36634187367655 0.88305362172597 15.999 > 45 46 O 0.97532107372580 0.36634187367655 0.88305362172597 15.999 > 45 47 O 0.47532107372580 0.86634187367655 0.88305362172597 15.999 > 45 48 O 0.97532107372580 0.86634187367655 0.88305362172597 15.999 > 45 49 O 0.47532107372580 0.36634187367655 0.61694637827403 15.999 > 49 50 O 0.97532107372580 0.36634187367655 0.61694637827403 15.999 > 49 51 O 0.47532107372580 0.86634187367655 0.61694637827403 15.999 > 49 52 O 0.97532107372580 0.86634187367655 0.61694637827403 15.999 > 49 53 O 0.47532107372580 0.38365812632345 0.38305362172597 15.999 > 53 54 O 0.97532107372580 0.38365812632345 0.38305362172597 15.999 > 53 55 O 0.47532107372580 0.88365812632345 0.38305362172597 15.999 > 53 56 O 0.97532107372580 0.88365812632345 0.38305362172597 15.999 > 53 57 O 0.02467892627420 0.11634187367655 0.88305362172597 15.999 > 57 58 O 0.52467892627420 0.11634187367655 0.88305362172597 15.999 > 57 59 O 0.02467892627420 0.61634187367655 0.88305362172597 15.999 > 57 60 O 0.52467892627420 0.61634187367655 0.88305362172597 15.999 > 57 61 O 0.02467892627420 0.11634187367655 0.61694637827403 15.999 > 61 62 O 0.52467892627420 0.11634187367655 0.61694637827403 15.999 > 61 63 O 0.02467892627420 0.61634187367655 0.61694637827403 15.999 > 61 64 O 0.52467892627420 0.61634187367655 0.61694637827403 15.999 > 61 65 Si 0.05583543550133 0.37500000000000 0.00000000000000 28.085 > 65 66 Si 0.55583543550133 0.37500000000000 0.00000000000000 28.085 > 65 67 Si 0.05583543550133 0.87500000000000 0.00000000000000 28.085 > 65 68 Si 0.55583543550133 0.87500000000000 0.00000000000000 28.085 > 65 69 Si 0.44416456449867 0.12500000000000 0.00000000000000 28.085 > 69 70 Si 0.94416456449867 0.12500000000000 0.00000000000000 28.085 > 69 71 Si 0.44416456449867 0.62500000000000 0.00000000000000 28.085 > 69 72 Si 0.94416456449867 0.62500000000000 0.00000000000000 28.085 > 69 73 Si 0.44416456449867 0.12500000000000 0.50000000000000 28.085 > 73 74 Si 0.94416456449867 0.12500000000000 0.50000000000000 28.085 > 73 75 Si 0.44416456449867 0.62500000000000 0.50000000000000 28.085 > 73 76 Si 0.94416456449867 0.62500000000000 0.50000000000000 28.085 > 73 77 Si 0.05583543550133 0.37500000000000 0.50000000000000 28.085 > 77 78 Si 0.55583543550133 0.37500000000000 0.50000000000000 28.085 > 77 79 Si 0.05583543550133 0.87500000000000 0.50000000000000 28.085 > 77 80 Si 0.55583543550133 0.87500000000000 0.50000000000000 28.085 > 77 81 Se 0.29144631668968 0.05078537758119 0.75000000000000 78.960 > 81 82 Se 0.79144631668968 0.05078537758119 0.75000000000000 78.960 > 81 83 Se 0.29144631668968 0.55078537758119 0.75000000000000 78.960 > 81 84 Se 0.79144631668968 0.55078537758119 0.75000000000000 78.960 > 81 85 Se 0.29144631668968 0.19921462241881 0.25000000000000 78.960 > 85 86 Se 0.79144631668968 0.19921462241881 0.25000000000000 78.960 > 85 87 Se 0.29144631668968 0.69921462241881 0.25000000000000 78.960 > 85 88 Se 0.79144631668968 0.69921462241881 0.25000000000000 78.960 > 85 89 Se 0.20855368331032 0.30078537758119 0.75000000000000 78.960 > 89 90 Se 0.70855368331032 0.30078537758119 0.75000000000000 78.960 > 89 91 Se 0.20855368331032 0.80078537758119 0.75000000000000 78.960 > 89 92 Se 0.70855368331032 0.80078537758119 0.75000000000000 78.960 > 89 93 Se 0.20855368331032 0.44921462241881 0.25000000000000 78.960 > 93 94 Se 0.70855368331032 0.44921462241881 0.25000000000000 78.960 > 93 95 Se 0.20855368331032 0.94921462241881 0.25000000000000 78.960 > 93 96 Se 0.70855368331032 0.94921462241881 0.25000000000000 78.960 > 93 97 La 0.19668105536235 0.12500000000000 0.50000000000000 138.905 > 97 98 La 0.69668105536235 0.12500000000000 0.50000000000000 138.905 > 97 99 La 0.19668105536235 0.62500000000000 0.50000000000000 138.905 > 97 100 La 0.69668105536235 0.62500000000000 0.50000000000000 138.905 > 97 101 La 0.19668105536235 0.12500000000000 0.00000000000000 138.905 > 101 102 La 0.69668105536235 0.12500000000000 0.00000000000000 138.905 > 101 103 La 0.19668105536235 0.62500000000000 0.00000000000000 138.905 > 101 104 La 0.69668105536235 0.62500000000000 0.00000000000000 138.905 > 101 105 La 0.30331894463765 0.37500000000000 0.50000000000000 138.905 > 105 106 La 0.80331894463765 0.37500000000000 0.50000000000000 138.905 > 105 107 La 0.30331894463765 0.87500000000000 0.50000000000000 138.905 > 105 108 La 0.80331894463765 0.87500000000000 0.50000000000000 138.905 > 105 109 La 0.30331894463765 0.37500000000000 0.00000000000000 138.905 > 109 110 La 0.80331894463765 0.37500000000000 0.00000000000000 138.905 > 109 111 La 0.30331894463765 0.87500000000000 0.00000000000000 138.905 > 109 112 La 0.80331894463765 0.87500000000000 0.00000000000000 138.905 > 109 113 La 0.43693226191242 0.23148908818928 0.75000000000000 138.905 > 113 114 La 0.93693226191242 0.23148908818928 0.75000000000000 138.905 > 113 115 La 0.43693226191242 0.73148908818928 0.75000000000000 138.905 > 113 116 La 0.93693226191242 0.73148908818928 0.75000000000000 138.905 > 113 117 La 0.43693226191242 0.01851091181072 0.25000000000000 138.905 > 117 118 La 0.93693226191242 0.01851091181072 0.25000000000000 138.905 > 117 119 La 0.43693226191242 0.51851091181072 0.25000000000000 138.905 > 117 120 La 0.93693226191242 0.51851091181072 0.25000000000000 138.905 > 117 121 La 0.06306773808758 0.48148908818928 0.75000000000000 138.905 > 121 122 La 0.56306773808758 0.48148908818928 0.75000000000000 138.905 > 121 123 La 0.06306773808758 0.98148908818928 0.75000000000000 138.905 > 121 124 La 0.56306773808758 0.98148908818928 0.75000000000000 138.905 > 121 125 La 0.06306773808758 0.26851091181072 0.25000000000000 138.905 > 125 126 La 0.56306773808758 0.26851091181072 0.25000000000000 138.905 > 125 127 La 0.06306773808758 0.76851091181072 0.25000000000000 138.905 > 125 128 La 0.56306773808758 0.76851091181072 0.25000000000000 138.905 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3810586 0.0000000 0.0000000 0.0000000 5.4570728 0.0000000 0.0000000 0.0000000 5.4006659 -------------------------- Born effective charges -------------------------- 1 O -2.2315998 0.2435622 -0.1485883 0.3210292 -2.5817839 -0.2155985 -0.1529784 -0.1867972 -2.3186737 2 O -2.2315998 -0.2435622 0.1485883 -0.3210292 -2.5817839 -0.2155985 0.1529784 -0.1867972 -2.3186737 3 O -2.2315998 -0.2435622 -0.1485883 -0.3210292 -2.5817839 0.2155985 -0.1529784 0.1867972 -2.3186737 4 O -2.2315998 0.2435622 0.1485883 0.3210292 -2.5817839 0.2155985 0.1529784 0.1867972 -2.3186737 5 O -2.2315998 0.2435622 -0.1485883 0.3210292 -2.5817839 -0.2155985 -0.1529784 -0.1867972 -2.3186737 6 O -2.2315998 -0.2435622 0.1485883 -0.3210292 -2.5817839 -0.2155985 0.1529784 -0.1867972 -2.3186737 7 O -2.2315998 -0.2435622 -0.1485883 -0.3210292 -2.5817839 0.2155985 -0.1529784 0.1867972 -2.3186737 8 O -2.2315998 0.2435622 0.1485883 0.3210292 -2.5817839 0.2155985 0.1529784 0.1867972 -2.3186737 9 O -2.7376959 -0.4680993 -0.0256893 -0.2664153 -1.9820504 0.1416604 -0.0986274 0.0751524 -2.5206251 10 O -2.7376959 -0.4680993 0.0256893 -0.2664153 -1.9820504 -0.1416604 0.0986274 -0.0751524 -2.5206251 11 O -2.7376959 0.4680993 -0.0256893 0.2664153 -1.9820504 -0.1416604 -0.0986274 -0.0751524 -2.5206251 12 O -2.7376959 -0.4680993 0.0256893 -0.2664153 -1.9820504 -0.1416604 0.0986274 -0.0751524 -2.5206251 13 O -2.7376959 -0.4680993 -0.0256893 -0.2664153 -1.9820504 0.1416604 -0.0986274 0.0751524 -2.5206251 14 O -2.7376959 0.4680993 0.0256893 0.2664153 -1.9820504 0.1416604 0.0986274 0.0751524 -2.5206251 15 O -2.7376959 0.4680993 -0.0256893 0.2664153 -1.9820504 -0.1416604 -0.0986274 -0.0751524 -2.5206251 16 O -2.7376959 0.4680993 0.0256893 0.2664153 -1.9820504 0.1416604 0.0986274 0.0751524 -2.5206251 17 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 -0.0296660 0.0000000 -0.2273651 3.6216648 18 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 -0.0296660 0.0000000 -0.2273651 3.6216648 19 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 0.0296660 0.0000000 0.2273651 3.6216648 20 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 0.0296660 0.0000000 0.2273651 3.6216648 21 Se -2.4549002 -0.2736554 0.0000000 -0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 22 Se -2.4549002 0.2736554 0.0000000 0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 23 Se -2.4549002 0.2736554 0.0000000 0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 24 Se -2.4549002 -0.2736554 0.0000000 -0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 25 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 -0.0061371 0.0000000 -0.1800742 4.3784471 26 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 0.0061371 0.0000000 0.1800742 4.3784471 27 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 -0.0061371 0.0000000 -0.1800742 4.3784471 28 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 0.0061371 0.0000000 0.1800742 4.3784471 29 La 4.3897624 0.2076332 0.0000000 0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 30 La 4.3897624 -0.2076332 0.0000000 -0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 31 La 4.3897624 -0.2076332 0.0000000 -0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 32 La 4.3897624 0.2076332 0.0000000 0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:50:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:50:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.261564680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.274228459999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.122013369999998 Atomic positions (fractional): 1 O 0.26829893271856 0.57629924847741 0.46677664486566 15.999 2 O 0.26829893271856 0.92370075152259 0.53322335513434 15.999 3 O 0.73170106728144 0.07629924847741 0.03322335513434 15.999 4 O 0.73170106728144 0.42370075152259 0.96677664486566 15.999 5 O 0.73170106728144 0.42370075152259 0.53322335513434 15.999 6 O 0.73170106728144 0.07629924847741 0.46677664486566 15.999 7 O 0.26829893271856 0.92370075152259 0.96677664486566 15.999 8 O 0.26829893271856 0.57629924847741 0.03322335513434 15.999 9 O 0.04935785254840 0.26731625264691 0.38305362172597 15.999 10 O 0.04935785254840 0.26731625264691 0.11694637827403 15.999 11 O 0.95064214745160 0.76731625264691 0.11694637827403 15.999 12 O 0.95064214745160 0.73268374735309 0.88305362172597 15.999 13 O 0.95064214745160 0.73268374735309 0.61694637827403 15.999 14 O 0.95064214745160 0.76731625264691 0.38305362172597 15.999 15 O 0.04935785254840 0.23268374735309 0.88305362172597 15.999 16 O 0.04935785254840 0.23268374735309 0.61694637827403 15.999 17 Si 0.11167087100266 0.75000000000000 0.00000000000000 28.085 18 Si 0.88832912899734 0.25000000000000 0.00000000000000 28.085 19 Si 0.88832912899734 0.25000000000000 0.50000000000000 28.085 20 Si 0.11167087100266 0.75000000000000 0.50000000000000 28.085 21 Se 0.58289263337937 0.10157075516239 0.75000000000000 78.960 22 Se 0.58289263337937 0.39842924483761 0.25000000000000 78.960 23 Se 0.41710736662063 0.60157075516239 0.75000000000000 78.960 24 Se 0.41710736662063 0.89842924483761 0.25000000000000 78.960 25 La 0.39336211072470 0.25000000000000 0.50000000000000 138.905 26 La 0.39336211072470 0.25000000000000 0.00000000000000 138.905 27 La 0.60663788927530 0.75000000000000 0.50000000000000 138.905 28 La 0.60663788927530 0.75000000000000 0.00000000000000 138.905 29 La 0.87386452382485 0.46297817637855 0.75000000000000 138.905 30 La 0.87386452382485 0.03702182362145 0.25000000000000 138.905 31 La 0.12613547617515 0.96297817637855 0.75000000000000 138.905 32 La 0.12613547617515 0.53702182362145 0.25000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.523129360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.548456919999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.122013369999998 Atomic positions (fractional): 1 O 0.13414946635928 0.28814962423871 0.46677664486566 15.999 > 1 2 O 0.63414946635928 0.28814962423871 0.46677664486566 15.999 > 1 3 O 0.13414946635928 0.78814962423871 0.46677664486566 15.999 > 1 4 O 0.63414946635928 0.78814962423871 0.46677664486566 15.999 > 1 5 O 0.13414946635928 0.46185037576129 0.53322335513434 15.999 > 5 6 O 0.63414946635928 0.46185037576129 0.53322335513434 15.999 > 5 7 O 0.13414946635928 0.96185037576129 0.53322335513434 15.999 > 5 8 O 0.63414946635928 0.96185037576129 0.53322335513434 15.999 > 5 9 O 0.36585053364072 0.03814962423871 0.03322335513434 15.999 > 9 10 O 0.86585053364072 0.03814962423871 0.03322335513434 15.999 > 9 11 O 0.36585053364072 0.53814962423871 0.03322335513434 15.999 > 9 12 O 0.86585053364072 0.53814962423871 0.03322335513434 15.999 > 9 13 O 0.36585053364072 0.21185037576129 0.96677664486566 15.999 > 13 14 O 0.86585053364072 0.21185037576129 0.96677664486566 15.999 > 13 15 O 0.36585053364072 0.71185037576129 0.96677664486566 15.999 > 13 16 O 0.86585053364072 0.71185037576129 0.96677664486566 15.999 > 13 17 O 0.36585053364072 0.21185037576129 0.53322335513434 15.999 > 17 18 O 0.86585053364072 0.21185037576129 0.53322335513434 15.999 > 17 19 O 0.36585053364072 0.71185037576129 0.53322335513434 15.999 > 17 20 O 0.86585053364072 0.71185037576129 0.53322335513434 15.999 > 17 21 O 0.36585053364072 0.03814962423871 0.46677664486566 15.999 > 21 22 O 0.86585053364072 0.03814962423871 0.46677664486566 15.999 > 21 23 O 0.36585053364072 0.53814962423871 0.46677664486566 15.999 > 21 24 O 0.86585053364072 0.53814962423871 0.46677664486566 15.999 > 21 25 O 0.13414946635928 0.46185037576129 0.96677664486566 15.999 > 25 26 O 0.63414946635928 0.46185037576129 0.96677664486566 15.999 > 25 27 O 0.13414946635928 0.96185037576129 0.96677664486566 15.999 > 25 28 O 0.63414946635928 0.96185037576129 0.96677664486566 15.999 > 25 29 O 0.13414946635928 0.28814962423871 0.03322335513434 15.999 > 29 30 O 0.63414946635928 0.28814962423871 0.03322335513434 15.999 > 29 31 O 0.13414946635928 0.78814962423871 0.03322335513434 15.999 > 29 32 O 0.63414946635928 0.78814962423871 0.03322335513434 15.999 > 29 33 O 0.02467892627420 0.13365812632345 0.38305362172597 15.999 > 33 34 O 0.52467892627420 0.13365812632345 0.38305362172597 15.999 > 33 35 O 0.02467892627420 0.63365812632345 0.38305362172597 15.999 > 33 36 O 0.52467892627420 0.63365812632345 0.38305362172597 15.999 > 33 37 O 0.02467892627420 0.13365812632345 0.11694637827403 15.999 > 37 38 O 0.52467892627420 0.13365812632345 0.11694637827403 15.999 > 37 39 O 0.02467892627420 0.63365812632345 0.11694637827403 15.999 > 37 40 O 0.52467892627420 0.63365812632345 0.11694637827403 15.999 > 37 41 O 0.47532107372580 0.38365812632345 0.11694637827403 15.999 > 41 42 O 0.97532107372580 0.38365812632345 0.11694637827403 15.999 > 41 43 O 0.47532107372580 0.88365812632345 0.11694637827403 15.999 > 41 44 O 0.97532107372580 0.88365812632345 0.11694637827403 15.999 > 41 45 O 0.47532107372580 0.36634187367655 0.88305362172597 15.999 > 45 46 O 0.97532107372580 0.36634187367655 0.88305362172597 15.999 > 45 47 O 0.47532107372580 0.86634187367655 0.88305362172597 15.999 > 45 48 O 0.97532107372580 0.86634187367655 0.88305362172597 15.999 > 45 49 O 0.47532107372580 0.36634187367655 0.61694637827403 15.999 > 49 50 O 0.97532107372580 0.36634187367655 0.61694637827403 15.999 > 49 51 O 0.47532107372580 0.86634187367655 0.61694637827403 15.999 > 49 52 O 0.97532107372580 0.86634187367655 0.61694637827403 15.999 > 49 53 O 0.47532107372580 0.38365812632345 0.38305362172597 15.999 > 53 54 O 0.97532107372580 0.38365812632345 0.38305362172597 15.999 > 53 55 O 0.47532107372580 0.88365812632345 0.38305362172597 15.999 > 53 56 O 0.97532107372580 0.88365812632345 0.38305362172597 15.999 > 53 57 O 0.02467892627420 0.11634187367655 0.88305362172597 15.999 > 57 58 O 0.52467892627420 0.11634187367655 0.88305362172597 15.999 > 57 59 O 0.02467892627420 0.61634187367655 0.88305362172597 15.999 > 57 60 O 0.52467892627420 0.61634187367655 0.88305362172597 15.999 > 57 61 O 0.02467892627420 0.11634187367655 0.61694637827403 15.999 > 61 62 O 0.52467892627420 0.11634187367655 0.61694637827403 15.999 > 61 63 O 0.02467892627420 0.61634187367655 0.61694637827403 15.999 > 61 64 O 0.52467892627420 0.61634187367655 0.61694637827403 15.999 > 61 65 Si 0.05583543550133 0.37500000000000 0.00000000000000 28.085 > 65 66 Si 0.55583543550133 0.37500000000000 0.00000000000000 28.085 > 65 67 Si 0.05583543550133 0.87500000000000 0.00000000000000 28.085 > 65 68 Si 0.55583543550133 0.87500000000000 0.00000000000000 28.085 > 65 69 Si 0.44416456449867 0.12500000000000 0.00000000000000 28.085 > 69 70 Si 0.94416456449867 0.12500000000000 0.00000000000000 28.085 > 69 71 Si 0.44416456449867 0.62500000000000 0.00000000000000 28.085 > 69 72 Si 0.94416456449867 0.62500000000000 0.00000000000000 28.085 > 69 73 Si 0.44416456449867 0.12500000000000 0.50000000000000 28.085 > 73 74 Si 0.94416456449867 0.12500000000000 0.50000000000000 28.085 > 73 75 Si 0.44416456449867 0.62500000000000 0.50000000000000 28.085 > 73 76 Si 0.94416456449867 0.62500000000000 0.50000000000000 28.085 > 73 77 Si 0.05583543550133 0.37500000000000 0.50000000000000 28.085 > 77 78 Si 0.55583543550133 0.37500000000000 0.50000000000000 28.085 > 77 79 Si 0.05583543550133 0.87500000000000 0.50000000000000 28.085 > 77 80 Si 0.55583543550133 0.87500000000000 0.50000000000000 28.085 > 77 81 Se 0.29144631668968 0.05078537758119 0.75000000000000 78.960 > 81 82 Se 0.79144631668968 0.05078537758119 0.75000000000000 78.960 > 81 83 Se 0.29144631668968 0.55078537758119 0.75000000000000 78.960 > 81 84 Se 0.79144631668968 0.55078537758119 0.75000000000000 78.960 > 81 85 Se 0.29144631668968 0.19921462241881 0.25000000000000 78.960 > 85 86 Se 0.79144631668968 0.19921462241881 0.25000000000000 78.960 > 85 87 Se 0.29144631668968 0.69921462241881 0.25000000000000 78.960 > 85 88 Se 0.79144631668968 0.69921462241881 0.25000000000000 78.960 > 85 89 Se 0.20855368331032 0.30078537758119 0.75000000000000 78.960 > 89 90 Se 0.70855368331032 0.30078537758119 0.75000000000000 78.960 > 89 91 Se 0.20855368331032 0.80078537758119 0.75000000000000 78.960 > 89 92 Se 0.70855368331032 0.80078537758119 0.75000000000000 78.960 > 89 93 Se 0.20855368331032 0.44921462241881 0.25000000000000 78.960 > 93 94 Se 0.70855368331032 0.44921462241881 0.25000000000000 78.960 > 93 95 Se 0.20855368331032 0.94921462241881 0.25000000000000 78.960 > 93 96 Se 0.70855368331032 0.94921462241881 0.25000000000000 78.960 > 93 97 La 0.19668105536235 0.12500000000000 0.50000000000000 138.905 > 97 98 La 0.69668105536235 0.12500000000000 0.50000000000000 138.905 > 97 99 La 0.19668105536235 0.62500000000000 0.50000000000000 138.905 > 97 100 La 0.69668105536235 0.62500000000000 0.50000000000000 138.905 > 97 101 La 0.19668105536235 0.12500000000000 0.00000000000000 138.905 > 101 102 La 0.69668105536235 0.12500000000000 0.00000000000000 138.905 > 101 103 La 0.19668105536235 0.62500000000000 0.00000000000000 138.905 > 101 104 La 0.69668105536235 0.62500000000000 0.00000000000000 138.905 > 101 105 La 0.30331894463765 0.37500000000000 0.50000000000000 138.905 > 105 106 La 0.80331894463765 0.37500000000000 0.50000000000000 138.905 > 105 107 La 0.30331894463765 0.87500000000000 0.50000000000000 138.905 > 105 108 La 0.80331894463765 0.87500000000000 0.50000000000000 138.905 > 105 109 La 0.30331894463765 0.37500000000000 0.00000000000000 138.905 > 109 110 La 0.80331894463765 0.37500000000000 0.00000000000000 138.905 > 109 111 La 0.30331894463765 0.87500000000000 0.00000000000000 138.905 > 109 112 La 0.80331894463765 0.87500000000000 0.00000000000000 138.905 > 109 113 La 0.43693226191242 0.23148908818928 0.75000000000000 138.905 > 113 114 La 0.93693226191242 0.23148908818928 0.75000000000000 138.905 > 113 115 La 0.43693226191242 0.73148908818928 0.75000000000000 138.905 > 113 116 La 0.93693226191242 0.73148908818928 0.75000000000000 138.905 > 113 117 La 0.43693226191242 0.01851091181072 0.25000000000000 138.905 > 117 118 La 0.93693226191242 0.01851091181072 0.25000000000000 138.905 > 117 119 La 0.43693226191242 0.51851091181072 0.25000000000000 138.905 > 117 120 La 0.93693226191242 0.51851091181072 0.25000000000000 138.905 > 117 121 La 0.06306773808758 0.48148908818928 0.75000000000000 138.905 > 121 122 La 0.56306773808758 0.48148908818928 0.75000000000000 138.905 > 121 123 La 0.06306773808758 0.98148908818928 0.75000000000000 138.905 > 121 124 La 0.56306773808758 0.98148908818928 0.75000000000000 138.905 > 121 125 La 0.06306773808758 0.26851091181072 0.25000000000000 138.905 > 125 126 La 0.56306773808758 0.26851091181072 0.25000000000000 138.905 > 125 127 La 0.06306773808758 0.76851091181072 0.25000000000000 138.905 > 125 128 La 0.56306773808758 0.76851091181072 0.25000000000000 138.905 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3810586 0.0000000 0.0000000 0.0000000 5.4570728 0.0000000 0.0000000 0.0000000 5.4006659 -------------------------- Born effective charges -------------------------- 1 O -2.2315998 0.2435622 -0.1485883 0.3210292 -2.5817839 -0.2155985 -0.1529784 -0.1867972 -2.3186737 2 O -2.2315998 -0.2435622 0.1485883 -0.3210292 -2.5817839 -0.2155985 0.1529784 -0.1867972 -2.3186737 3 O -2.2315998 -0.2435622 -0.1485883 -0.3210292 -2.5817839 0.2155985 -0.1529784 0.1867972 -2.3186737 4 O -2.2315998 0.2435622 0.1485883 0.3210292 -2.5817839 0.2155985 0.1529784 0.1867972 -2.3186737 5 O -2.2315998 0.2435622 -0.1485883 0.3210292 -2.5817839 -0.2155985 -0.1529784 -0.1867972 -2.3186737 6 O -2.2315998 -0.2435622 0.1485883 -0.3210292 -2.5817839 -0.2155985 0.1529784 -0.1867972 -2.3186737 7 O -2.2315998 -0.2435622 -0.1485883 -0.3210292 -2.5817839 0.2155985 -0.1529784 0.1867972 -2.3186737 8 O -2.2315998 0.2435622 0.1485883 0.3210292 -2.5817839 0.2155985 0.1529784 0.1867972 -2.3186737 9 O -2.7376959 -0.4680993 -0.0256893 -0.2664153 -1.9820504 0.1416604 -0.0986274 0.0751524 -2.5206251 10 O -2.7376959 -0.4680993 0.0256893 -0.2664153 -1.9820504 -0.1416604 0.0986274 -0.0751524 -2.5206251 11 O -2.7376959 0.4680993 -0.0256893 0.2664153 -1.9820504 -0.1416604 -0.0986274 -0.0751524 -2.5206251 12 O -2.7376959 -0.4680993 0.0256893 -0.2664153 -1.9820504 -0.1416604 0.0986274 -0.0751524 -2.5206251 13 O -2.7376959 -0.4680993 -0.0256893 -0.2664153 -1.9820504 0.1416604 -0.0986274 0.0751524 -2.5206251 14 O -2.7376959 0.4680993 0.0256893 0.2664153 -1.9820504 0.1416604 0.0986274 0.0751524 -2.5206251 15 O -2.7376959 0.4680993 -0.0256893 0.2664153 -1.9820504 -0.1416604 -0.0986274 -0.0751524 -2.5206251 16 O -2.7376959 0.4680993 0.0256893 0.2664153 -1.9820504 0.1416604 0.0986274 0.0751524 -2.5206251 17 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 -0.0296660 0.0000000 -0.2273651 3.6216648 18 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 -0.0296660 0.0000000 -0.2273651 3.6216648 19 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 0.0296660 0.0000000 0.2273651 3.6216648 20 Si 3.7676854 0.0000000 0.0000000 -0.0000000 2.6873828 0.0296660 0.0000000 0.2273651 3.6216648 21 Se -2.4549002 -0.2736554 0.0000000 -0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 22 Se -2.4549002 0.2736554 0.0000000 0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 23 Se -2.4549002 0.2736554 0.0000000 0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 24 Se -2.4549002 -0.2736554 0.0000000 -0.2984525 -2.2634965 0.0000000 0.0000000 0.0000000 -2.3026877 25 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 -0.0061371 0.0000000 -0.1800742 4.3784471 26 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 0.0061371 0.0000000 0.1800742 4.3784471 27 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 -0.0061371 0.0000000 -0.1800742 4.3784471 28 La 4.2360437 0.0000000 0.0000000 -0.0000000 4.4027138 0.0061371 0.0000000 0.1800742 4.3784471 29 La 4.3897624 0.2076332 0.0000000 0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 30 La 4.3897624 -0.2076332 0.0000000 -0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 31 La 4.3897624 -0.2076332 0.0000000 -0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 32 La 4.3897624 0.2076332 0.0000000 0.1004923 4.3010684 0.0000000 0.0000000 0.0000000 3.9811733 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (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 ... [ 8 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.061 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.765 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.490 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 7.795 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.696 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 10.040 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 11.909 ( 0.000 0.000 0.000) 0.000 12.500 ( 0.000 0.000 0.000) 0.000 12.799 ( 0.000 0.000 0.000) 0.000 12.927 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.533 ( 0.000 0.000 0.000) 0.000 14.204 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.830 ( 0.000 0.000 0.000) 0.000 14.841 ( 0.000 0.000 0.000) 0.000 15.033 ( 0.000 0.000 0.000) 0.000 15.534 ( 0.000 0.000 0.000) 0.000 15.535 ( 0.000 0.000 0.000) 0.000 15.585 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 16.497 ( 0.000 0.000 0.000) 0.000 23.903 ( 0.000 0.000 0.000) 0.000 24.102 ( 0.000 0.000 0.000) 0.000 24.125 ( 0.000 0.000 0.000) 0.000 24.154 ( 0.000 0.000 0.000) 0.000 24.159 ( 0.000 0.000 0.000) 0.000 24.497 ( 0.000 0.000 0.000) 0.000 24.781 ( 0.000 0.000 0.000) 0.000 25.014 ( 0.000 0.000 0.000) 0.000 26.513 ( 0.000 0.000 0.000) 0.000 26.637 ( 0.000 0.000 0.000) 0.000 26.711 ( 0.000 0.000 0.000) 0.000 26.783 ( 0.000 0.000 0.000) 0.000 26.790 ( 0.000 0.000 0.000) 0.000 26.862 ( 0.000 0.000 0.000) 0.000 26.979 ( 0.000 0.000 0.000) 0.000 27.901 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 25.336 0.000 0.000) 25.336 0.516 ( 25.459 0.000 0.000) 25.459 1.037 ( -2.343 0.000 0.000) 2.343 1.136 ( 51.013 0.000 0.000) 51.013 1.322 ( -6.205 0.000 0.000) 6.205 1.648 ( 3.104 0.000 0.000) 3.104 1.817 ( 4.659 0.000 0.000) 4.659 1.820 ( 5.027 0.000 0.000) 5.027 1.986 ( -12.513 0.000 0.000) 12.513 2.724 ( -11.799 0.000 0.000) 11.799 2.752 ( 3.923 0.000 0.000) 3.923 2.781 ( 19.899 0.000 0.000) 19.899 2.968 ( 4.701 0.000 0.000) 4.701 3.106 ( 3.925 0.000 0.000) 3.925 3.130 ( -8.655 0.000 0.000) 8.655 3.141 ( -4.902 0.000 0.000) 4.902 3.249 ( 18.105 0.000 0.000) 18.105 3.355 ( -0.756 0.000 0.000) 0.756 3.373 ( 6.650 0.000 0.000) 6.650 3.426 ( -0.483 0.000 0.000) 0.483 3.464 ( 3.134 0.000 0.000) 3.134 3.506 ( 2.486 0.000 0.000) 2.486 3.784 ( 0.517 0.000 0.000) 0.517 3.866 ( 1.137 0.000 0.000) 1.137 3.890 ( 5.636 0.000 0.000) 5.636 3.931 ( 13.191 0.000 0.000) 13.191 4.005 ( 2.731 0.000 0.000) 2.731 4.154 ( 7.341 0.000 0.000) 7.341 4.200 ( 8.556 0.000 0.000) 8.556 4.326 ( 6.549 0.000 0.000) 6.549 4.484 ( -1.183 0.000 0.000) 1.183 4.522 ( 1.166 0.000 0.000) 1.166 4.932 ( 6.154 0.000 0.000) 6.154 4.972 ( 0.771 0.000 0.000) 0.771 5.425 ( 0.989 0.000 0.000) 0.989 5.431 ( -5.282 0.000 0.000) 5.282 5.548 ( -1.970 0.000 0.000) 1.970 5.961 ( -0.814 0.000 0.000) 0.814 6.021 ( -1.004 0.000 0.000) 1.004 6.288 ( 0.403 0.000 0.000) 0.403 6.509 ( 1.569 0.000 0.000) 1.569 7.003 ( 1.440 0.000 0.000) 1.440 7.063 ( 1.799 0.000 0.000) 1.799 7.207 ( 0.145 0.000 0.000) 0.145 7.352 ( 1.527 0.000 0.000) 1.527 7.358 ( -1.249 0.000 0.000) 1.249 7.413 ( 0.753 0.000 0.000) 0.753 7.532 ( -2.782 0.000 0.000) 2.782 7.681 ( 3.431 0.000 0.000) 3.431 7.924 ( 10.331 0.000 0.000) 10.331 8.047 ( 1.020 0.000 0.000) 1.020 8.225 ( -0.049 0.000 0.000) 0.049 8.667 ( -2.781 0.000 0.000) 2.781 8.667 ( 0.620 0.000 0.000) 0.620 8.685 ( -2.870 0.000 0.000) 2.870 8.719 ( 1.230 0.000 0.000) 1.230 9.302 ( 0.780 0.000 0.000) 0.780 9.984 ( -10.522 0.000 0.000) 10.522 10.062 ( 2.106 0.000 0.000) 2.106 10.090 ( -2.981 0.000 0.000) 2.981 10.226 ( -1.357 0.000 0.000) 1.357 10.249 ( 2.829 0.000 0.000) 2.829 10.352 ( -4.940 0.000 0.000) 4.940 10.995 ( -11.488 0.000 0.000) 11.488 11.918 ( 0.915 0.000 0.000) 0.915 12.431 ( -5.750 0.000 0.000) 5.750 12.780 ( -1.826 0.000 0.000) 1.826 12.781 ( -13.144 0.000 0.000) 13.144 13.096 ( 4.838 0.000 0.000) 4.838 13.477 ( -5.641 0.000 0.000) 5.641 14.006 ( -16.201 0.000 0.000) 16.201 14.712 ( 8.384 0.000 0.000) 8.384 14.807 ( -15.142 0.000 0.000) 15.142 14.839 ( -0.239 0.000 0.000) 0.239 15.513 ( -6.725 0.000 0.000) 6.725 15.642 ( -1.160 0.000 0.000) 1.160 15.694 ( 8.142 0.000 0.000) 8.142 15.731 ( 16.190 0.000 0.000) 16.190 15.923 ( 13.672 0.000 0.000) 13.672 16.508 ( 0.870 0.000 0.000) 0.870 23.904 ( 0.130 0.000 0.000) 0.130 24.104 ( 0.155 0.000 0.000) 0.155 24.128 ( 0.223 0.000 0.000) 0.223 24.130 ( -1.331 0.000 0.000) 1.331 24.218 ( 2.054 0.000 0.000) 2.054 24.496 ( -0.050 0.000 0.000) 0.050 24.761 ( -1.652 0.000 0.000) 1.652 25.018 ( 0.003 0.000 0.000) 0.003 26.436 ( -5.390 0.000 0.000) 5.390 26.631 ( -0.555 0.000 0.000) 0.555 26.716 ( 0.452 0.000 0.000) 0.452 26.782 ( -0.789 0.000 0.000) 0.789 26.825 ( -3.463 0.000 0.000) 3.463 26.902 ( 9.353 0.000 0.000) 9.353 27.794 ( -10.037 0.000 0.000) 10.037 28.441 ( 2.933 0.000 0.000) 2.933 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.989 0.000 0.000) 0.989 0.974 ( 15.247 0.000 0.000) 15.247 1.010 ( 20.865 0.000 0.000) 20.865 1.170 ( -2.931 0.000 0.000) 2.931 1.731 ( 5.023 0.000 0.000) 5.023 1.761 ( 9.319 0.000 0.000) 9.319 1.781 ( -6.430 0.000 0.000) 6.430 1.952 ( 7.319 0.000 0.000) 7.319 2.102 ( 22.375 0.000 0.000) 22.375 2.491 ( -10.905 0.000 0.000) 10.905 2.847 ( 7.143 0.000 0.000) 7.143 2.887 ( -14.952 0.000 0.000) 14.952 2.946 ( -7.939 0.000 0.000) 7.939 3.050 ( -3.488 0.000 0.000) 3.488 3.152 ( 13.595 0.000 0.000) 13.595 3.158 ( 2.524 0.000 0.000) 2.524 3.346 ( -0.073 0.000 0.000) 0.073 3.411 ( -0.739 0.000 0.000) 0.739 3.515 ( 5.108 0.000 0.000) 5.108 3.581 ( 4.597 0.000 0.000) 4.597 3.658 ( 17.022 0.000 0.000) 17.022 3.696 ( 22.004 0.000 0.000) 22.004 3.855 ( 5.137 0.000 0.000) 5.137 3.875 ( -0.471 0.000 0.000) 0.471 4.004 ( -1.192 0.000 0.000) 1.192 4.073 ( 14.754 0.000 0.000) 14.754 4.097 ( 4.857 0.000 0.000) 4.857 4.311 ( 4.858 0.000 0.000) 4.858 4.448 ( -2.335 0.000 0.000) 2.335 4.449 ( 3.932 0.000 0.000) 3.932 4.458 ( 11.701 0.000 0.000) 11.701 4.604 ( 8.201 0.000 0.000) 8.201 4.989 ( 0.795 0.000 0.000) 0.795 5.135 ( 14.117 0.000 0.000) 14.117 5.477 ( 12.541 0.000 0.000) 12.541 5.514 ( -1.029 0.000 0.000) 1.029 5.524 ( 10.806 0.000 0.000) 10.806 5.940 ( -1.247 0.000 0.000) 1.247 5.999 ( -1.062 0.000 0.000) 1.062 6.299 ( 0.614 0.000 0.000) 0.614 6.540 ( 1.336 0.000 0.000) 1.336 7.035 ( 1.537 0.000 0.000) 1.537 7.108 ( 2.375 0.000 0.000) 2.375 7.196 ( -1.224 0.000 0.000) 1.224 7.326 ( -1.721 0.000 0.000) 1.721 7.396 ( 2.589 0.000 0.000) 2.589 7.427 ( 0.557 0.000 0.000) 0.557 7.461 ( -4.007 0.000 0.000) 4.007 7.771 ( 5.143 0.000 0.000) 5.143 8.065 ( 0.523 0.000 0.000) 0.523 8.091 ( 4.713 0.000 0.000) 4.713 8.219 ( -0.611 0.000 0.000) 0.611 8.593 ( -4.321 0.000 0.000) 4.321 8.600 ( -5.937 0.000 0.000) 5.937 8.711 ( 4.151 0.000 0.000) 4.151 8.751 ( 1.899 0.000 0.000) 1.899 9.331 ( 1.822 0.000 0.000) 1.822 9.663 ( -20.871 0.000 0.000) 20.871 10.006 ( -5.526 0.000 0.000) 5.526 10.117 ( 3.210 0.000 0.000) 3.210 10.206 ( -0.653 0.000 0.000) 0.653 10.226 ( -6.706 0.000 0.000) 6.706 10.300 ( 1.839 0.000 0.000) 1.839 10.704 ( -16.137 0.000 0.000) 16.137 11.943 ( 1.442 0.000 0.000) 1.442 12.315 ( -5.233 0.000 0.000) 5.233 12.479 ( -15.289 0.000 0.000) 15.289 12.732 ( -2.804 0.000 0.000) 2.804 13.188 ( 3.880 0.000 0.000) 3.880 13.321 ( -9.162 0.000 0.000) 9.162 13.685 ( -14.153 0.000 0.000) 14.153 14.559 ( -9.000 0.000 0.000) 9.000 14.832 ( -0.352 0.000 0.000) 0.352 14.897 ( 9.074 0.000 0.000) 9.074 15.343 ( -9.456 0.000 0.000) 9.456 15.613 ( -1.662 0.000 0.000) 1.662 15.820 ( 5.223 0.000 0.000) 5.223 16.059 ( 14.977 0.000 0.000) 14.977 16.224 ( 14.022 0.000 0.000) 14.022 16.524 ( 0.571 0.000 0.000) 0.571 23.908 ( 0.235 0.000 0.000) 0.235 24.107 ( 0.150 0.000 0.000) 0.150 24.117 ( -0.019 0.000 0.000) 0.019 24.133 ( 0.308 0.000 0.000) 0.308 24.251 ( 1.127 0.000 0.000) 1.127 24.495 ( -0.061 0.000 0.000) 0.061 24.733 ( -0.750 0.000 0.000) 0.750 24.998 ( -2.231 0.000 0.000) 2.231 26.341 ( -3.797 0.000 0.000) 3.797 26.618 ( -0.663 0.000 0.000) 0.663 26.726 ( 0.520 0.000 0.000) 0.520 26.740 ( -4.505 0.000 0.000) 4.505 26.761 ( -1.145 0.000 0.000) 1.145 27.093 ( 8.903 0.000 0.000) 8.903 27.552 ( -12.715 0.000 0.000) 12.715 28.512 ( 3.764 0.000 0.000) 3.764 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -7.908 0.000 0.000) 7.908 0.915 ( -2.453 0.000 0.000) 2.453 1.411 ( 15.723 0.000 0.000) 15.723 1.460 ( 16.143 0.000 0.000) 16.143 1.718 ( -0.345 0.000 0.000) 0.345 1.855 ( 8.055 0.000 0.000) 8.055 1.859 ( 2.882 0.000 0.000) 2.882 2.106 ( 8.178 0.000 0.000) 8.178 2.316 ( -5.735 0.000 0.000) 5.735 2.341 ( 3.471 0.000 0.000) 3.471 2.562 ( -16.833 0.000 0.000) 16.833 2.699 ( -15.419 0.000 0.000) 15.419 2.966 ( -0.120 0.000 0.000) 0.120 3.073 ( 7.430 0.000 0.000) 7.430 3.201 ( 1.508 0.000 0.000) 1.508 3.321 ( 4.676 0.000 0.000) 4.676 3.349 ( 0.240 0.000 0.000) 0.240 3.395 ( -0.784 0.000 0.000) 0.784 3.594 ( 2.850 0.000 0.000) 2.850 3.676 ( 4.582 0.000 0.000) 4.582 3.846 ( -2.209 0.000 0.000) 2.209 3.924 ( 0.789 0.000 0.000) 0.789 3.948 ( 5.600 0.000 0.000) 5.600 3.998 ( 1.186 0.000 0.000) 1.186 4.031 ( 16.152 0.000 0.000) 16.152 4.185 ( 5.736 0.000 0.000) 5.736 4.331 ( 1.483 0.000 0.000) 1.483 4.348 ( 0.323 0.000 0.000) 0.323 4.400 ( -2.135 0.000 0.000) 2.135 4.548 ( -2.124 0.000 0.000) 2.124 4.670 ( 22.733 0.000 0.000) 22.733 4.801 ( 9.386 0.000 0.000) 9.386 4.995 ( -0.462 0.000 0.000) 0.462 5.464 ( 18.308 0.000 0.000) 18.308 5.509 ( 0.308 0.000 0.000) 0.308 5.807 ( 11.611 0.000 0.000) 11.611 5.833 ( 17.432 0.000 0.000) 17.432 5.916 ( -0.990 0.000 0.000) 0.990 5.981 ( -0.688 0.000 0.000) 0.688 6.311 ( 0.539 0.000 0.000) 0.539 6.558 ( 0.529 0.000 0.000) 0.529 7.059 ( 0.840 0.000 0.000) 0.840 7.163 ( 3.929 0.000 0.000) 3.929 7.189 ( 1.933 0.000 0.000) 1.933 7.296 ( -1.117 0.000 0.000) 1.117 7.388 ( -2.877 0.000 0.000) 2.877 7.425 ( -1.332 0.000 0.000) 1.332 7.440 ( 1.353 0.000 0.000) 1.353 7.869 ( 4.176 0.000 0.000) 4.176 8.063 ( -0.669 0.000 0.000) 0.669 8.114 ( -1.294 0.000 0.000) 1.294 8.204 ( -0.649 0.000 0.000) 0.649 8.439 ( -9.415 0.000 0.000) 9.415 8.513 ( -3.154 0.000 0.000) 3.154 8.787 ( 1.436 0.000 0.000) 1.436 8.823 ( 6.026 0.000 0.000) 6.026 9.209 ( -22.017 0.000 0.000) 22.017 9.356 ( 0.373 0.000 0.000) 0.373 9.875 ( -6.665 0.000 0.000) 6.665 10.130 ( -2.570 0.000 0.000) 2.570 10.177 ( 2.447 0.000 0.000) 2.447 10.200 ( 0.118 0.000 0.000) 0.118 10.318 ( 0.208 0.000 0.000) 0.208 10.413 ( -11.699 0.000 0.000) 11.699 11.971 ( 1.163 0.000 0.000) 1.163 12.228 ( -8.908 0.000 0.000) 8.908 12.236 ( -2.633 0.000 0.000) 2.633 12.679 ( -2.187 0.000 0.000) 2.187 13.152 ( -6.780 0.000 0.000) 6.780 13.242 ( 1.548 0.000 0.000) 1.548 13.472 ( -7.027 0.000 0.000) 7.027 14.442 ( -3.222 0.000 0.000) 3.222 14.826 ( -0.259 0.000 0.000) 0.259 15.045 ( 5.271 0.000 0.000) 5.271 15.172 ( -6.771 0.000 0.000) 6.771 15.582 ( -1.191 0.000 0.000) 1.191 15.904 ( 3.029 0.000 0.000) 3.029 16.293 ( 8.073 0.000 0.000) 8.073 16.442 ( 7.511 0.000 0.000) 7.511 16.529 ( 0.071 0.000 0.000) 0.071 23.913 ( 0.208 0.000 0.000) 0.208 24.109 ( 0.048 0.000 0.000) 0.048 24.125 ( 0.669 0.000 0.000) 0.669 24.139 ( 0.213 0.000 0.000) 0.213 24.263 ( 0.173 0.000 0.000) 0.173 24.494 ( -0.036 0.000 0.000) 0.036 24.740 ( 1.431 0.000 0.000) 1.431 24.931 ( -4.097 0.000 0.000) 4.097 26.286 ( -1.802 0.000 0.000) 1.802 26.607 ( -0.421 0.000 0.000) 0.421 26.662 ( -2.971 0.000 0.000) 2.971 26.735 ( 0.322 0.000 0.000) 0.322 26.740 ( -0.841 0.000 0.000) 0.841 27.236 ( 5.097 0.000 0.000) 5.097 27.337 ( -7.886 0.000 0.000) 7.886 28.576 ( 2.452 0.000 0.000) 2.452 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 0.000 0.000) 0.000 0.889 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.620 ( -0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 2.010 ( -0.000 0.000 0.000) 0.000 2.211 ( -0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.341 ( -0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.374 ( -0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.430 ( -0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.807 ( -0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.285 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.917 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.321 ( -0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.896 ( 0.000 0.000 0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.204 ( 0.000 0.000 0.000) 0.000 10.209 ( -0.000 0.000 0.000) 0.000 10.282 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.139 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.655 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 0.000) 0.000 13.256 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 14.413 ( 0.000 0.000 0.000) 0.000 14.823 ( 0.000 0.000 0.000) 0.000 15.098 ( 0.000 0.000 0.000) 0.000 15.101 ( 0.000 0.000 0.000) 0.000 15.570 ( 0.000 0.000 0.000) 0.000 15.935 ( 0.000 0.000 0.000) 0.000 16.374 ( 0.000 0.000 0.000) 0.000 16.518 ( 0.000 0.000 0.000) 0.000 16.530 ( 0.000 0.000 0.000) 0.000 23.915 ( 0.000 0.000 0.000) 0.000 24.109 ( 0.000 0.000 0.000) 0.000 24.134 ( -0.000 0.000 0.000) 0.000 24.141 ( 0.000 0.000 0.000) 0.000 24.263 ( 0.000 0.000 0.000) 0.000 24.493 ( 0.000 0.000 0.000) 0.000 24.769 ( 0.000 0.000 0.000) 0.000 24.873 ( 0.000 0.000 0.000) 0.000 26.268 ( 0.000 0.000 0.000) 0.000 26.603 ( 0.000 0.000 0.000) 0.000 26.631 ( 0.000 0.000 0.000) 0.000 26.731 ( 0.000 0.000 0.000) 0.000 26.738 ( 0.000 0.000 0.000) 0.000 27.256 ( 0.000 0.000 0.000) 0.000 27.288 ( 0.000 0.000 0.000) 0.000 28.602 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 26.954 0.000) 26.954 0.565 ( 0.000 27.221 0.000) 27.221 1.053 ( 0.000 50.337 0.000) 50.337 1.322 ( 0.000 23.281 0.000) 23.281 1.628 ( 0.000 1.135 0.000) 1.135 1.788 ( 0.000 1.877 0.000) 1.877 1.799 ( 0.000 2.557 0.000) 2.557 2.067 ( 0.000 8.750 0.000) 8.750 2.189 ( 0.000 3.718 0.000) 3.718 2.556 ( 0.000 0.305 0.000) 0.305 2.665 ( 0.000 -2.394 0.000) 2.394 2.788 ( 0.000 -7.011 0.000) 7.011 2.891 ( 0.000 -2.682 0.000) 2.682 2.942 ( 0.000 -0.737 0.000) 0.737 2.954 ( 0.000 -1.725 0.000) 1.725 2.969 ( 0.000 -7.218 0.000) 7.218 3.128 ( 0.000 -7.001 0.000) 7.001 3.313 ( 0.000 -1.894 0.000) 1.894 3.362 ( 0.000 -7.901 0.000) 7.901 3.397 ( 0.000 2.702 0.000) 2.702 3.450 ( 0.000 0.343 0.000) 0.343 3.535 ( 0.000 4.510 0.000) 4.510 3.749 ( 0.000 -5.789 0.000) 5.789 3.765 ( 0.000 4.383 0.000) 4.383 3.849 ( 0.000 2.073 0.000) 2.073 3.893 ( 0.000 2.150 0.000) 2.150 4.014 ( 0.000 5.672 0.000) 5.672 4.140 ( 0.000 -9.034 0.000) 9.034 4.154 ( 0.000 2.911 0.000) 2.911 4.277 ( 0.000 2.677 0.000) 2.677 4.374 ( 0.000 -5.604 0.000) 5.604 4.512 ( 0.000 -0.566 0.000) 0.566 4.607 ( 0.000 8.911 0.000) 8.911 4.955 ( 0.000 -1.362 0.000) 1.362 5.288 ( 0.000 -10.509 0.000) 10.509 5.425 ( 0.000 -5.150 0.000) 5.150 5.716 ( 0.000 9.559 0.000) 9.559 6.006 ( 0.000 3.311 0.000) 3.311 6.324 ( 0.000 3.883 0.000) 3.883 6.517 ( 0.000 2.747 0.000) 2.747 7.026 ( 0.000 3.537 0.000) 3.537 7.030 ( 0.000 -1.652 0.000) 1.652 7.179 ( 0.000 -3.859 0.000) 3.859 7.241 ( 0.000 -1.984 0.000) 1.984 7.329 ( 0.000 0.427 0.000) 0.427 7.374 ( 0.000 0.192 0.000) 0.192 7.376 ( 0.000 -2.398 0.000) 2.398 7.671 ( 0.000 2.307 0.000) 2.307 7.773 ( 0.000 -1.768 0.000) 1.768 7.953 ( 0.000 -2.259 0.000) 2.259 8.050 ( 0.000 -4.274 0.000) 4.274 8.129 ( 0.000 8.946 0.000) 8.946 8.305 ( 0.000 7.748 0.000) 7.748 8.551 ( 0.000 -14.072 0.000) 14.072 8.665 ( 0.000 -4.463 0.000) 4.463 8.720 ( 0.000 1.217 0.000) 1.217 9.112 ( 0.000 -0.145 0.000) 0.145 9.332 ( 0.000 3.293 0.000) 3.293 9.885 ( 0.000 -12.556 0.000) 12.556 10.065 ( 0.000 -4.860 0.000) 4.860 10.167 ( 0.000 1.756 0.000) 1.756 10.241 ( 0.000 4.558 0.000) 4.558 10.375 ( 0.000 -2.662 0.000) 2.662 11.008 ( 0.000 -5.071 0.000) 5.071 11.969 ( 0.000 6.116 0.000) 6.116 12.776 ( 0.000 -2.427 0.000) 2.427 13.020 ( 0.000 8.924 0.000) 8.924 13.038 ( 0.000 0.146 0.000) 0.146 13.103 ( 0.000 -5.784 0.000) 5.784 13.712 ( 0.000 14.263 0.000) 14.263 14.151 ( 0.000 -5.355 0.000) 5.355 14.615 ( 0.000 -0.167 0.000) 0.167 14.808 ( 0.000 -3.203 0.000) 3.203 14.863 ( 0.000 3.357 0.000) 3.357 14.985 ( 0.000 -4.872 0.000) 4.872 15.490 ( 0.000 -4.130 0.000) 4.130 15.536 ( 0.000 0.417 0.000) 0.417 15.655 ( 0.000 -0.032 0.000) 0.032 15.831 ( 0.000 5.928 0.000) 5.928 16.482 ( 0.000 -1.673 0.000) 1.673 23.904 ( 0.000 0.185 0.000) 0.185 24.088 ( 0.000 -1.371 0.000) 1.371 24.137 ( 0.000 -1.565 0.000) 1.565 24.151 ( 0.000 -0.756 0.000) 0.756 24.180 ( 0.000 5.063 0.000) 5.063 24.498 ( 0.000 0.078 0.000) 0.078 25.056 ( 0.000 4.137 0.000) 4.137 25.725 ( 0.000 -2.658 0.000) 2.658 26.488 ( 0.000 -1.917 0.000) 1.917 26.616 ( 0.000 -5.707 0.000) 5.707 26.697 ( 0.000 5.261 0.000) 5.261 26.728 ( 0.000 -3.976 0.000) 3.976 26.838 ( 0.000 -2.341 0.000) 2.341 26.877 ( 0.000 5.647 0.000) 5.647 27.094 ( 0.000 9.201 0.000) 9.201 28.101 ( 0.000 -7.473 0.000) 7.473 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 16.482 19.384 0.000) 25.444 0.886 ( 18.509 23.192 0.000) 29.672 1.296 ( -2.308 23.126 0.000) 23.241 1.400 ( 30.017 25.614 0.000) 39.460 1.572 ( -17.483 12.198 0.000) 21.317 1.662 ( 3.266 1.369 0.000) 3.541 1.835 ( 3.949 1.422 0.000) 4.197 1.945 ( -2.849 8.438 0.000) 8.906 2.096 ( -2.606 13.428 0.000) 13.678 2.656 ( -5.989 -4.465 0.000) 7.470 2.705 ( -0.346 -4.383 0.000) 4.397 2.774 ( 17.842 -0.931 0.000) 17.867 2.948 ( 4.684 -4.785 0.000) 6.696 3.013 ( 1.018 -3.661 0.000) 3.800 3.074 ( 3.055 -4.682 0.000) 5.590 3.086 ( -4.018 -3.731 0.000) 5.483 3.138 ( 14.298 -8.571 0.000) 16.670 3.357 ( 7.209 -2.746 0.000) 7.714 3.389 ( -0.111 1.718 0.000) 1.721 3.413 ( 4.859 -5.179 0.000) 7.101 3.460 ( -1.904 2.591 0.000) 3.215 3.535 ( 4.257 2.650 0.000) 5.015 3.833 ( 3.462 5.188 0.000) 6.237 3.840 ( 8.620 -3.148 0.000) 9.177 3.910 ( 1.133 1.956 0.000) 2.261 3.940 ( 9.711 1.413 0.000) 9.813 4.088 ( 1.185 5.083 0.000) 5.219 4.169 ( 3.128 -10.573 0.000) 11.026 4.173 ( 6.962 2.167 0.000) 7.292 4.209 ( 2.718 2.143 0.000) 3.461 4.515 ( 6.209 -2.197 0.000) 6.587 4.605 ( -0.476 7.804 0.000) 7.818 4.679 ( 12.094 -10.109 0.000) 15.763 4.990 ( 2.818 -1.480 0.000) 3.183 5.308 ( 2.532 -9.690 0.000) 10.015 5.388 ( -2.451 -3.496 0.000) 4.269 5.645 ( -4.676 8.235 0.000) 9.470 6.000 ( -0.705 3.528 0.000) 3.598 6.322 ( -0.122 3.384 0.000) 3.386 6.547 ( 2.407 3.847 0.000) 4.538 6.548 ( -29.202 25.086 0.000) 38.497 7.054 ( 0.839 4.819 0.000) 4.891 7.056 ( 2.552 -0.908 0.000) 2.709 7.229 ( 1.773 1.872 0.000) 2.578 7.338 ( 0.128 -0.637 0.000) 0.650 7.353 ( -1.534 -0.650 0.000) 1.666 7.378 ( -0.166 -2.933 0.000) 2.938 7.532 ( -5.366 0.359 0.000) 5.378 7.682 ( 2.283 -0.034 0.000) 2.283 7.917 ( 10.445 -0.906 0.000) 10.485 8.135 ( 0.507 8.560 0.000) 8.575 8.277 ( 0.004 4.537 0.000) 4.537 8.442 ( 0.900 -14.168 0.000) 14.196 8.613 ( -3.994 -4.467 0.000) 5.992 8.686 ( 3.474 -6.056 0.000) 6.982 8.764 ( 3.184 2.196 0.000) 3.868 9.216 ( -0.839 -8.275 0.000) 8.317 9.660 ( 15.040 -17.765 0.000) 23.276 9.901 ( 1.564 -12.449 0.000) 12.547 10.092 ( 2.093 -4.866 0.000) 5.298 10.135 ( -3.083 1.130 0.000) 3.284 10.254 ( 1.908 1.403 0.000) 2.369 10.328 ( -4.607 -2.402 0.000) 5.195 10.926 ( -8.757 -5.278 0.000) 10.225 11.975 ( 0.513 5.778 0.000) 5.800 12.637 ( -22.711 10.458 0.000) 25.004 12.757 ( -1.823 -2.407 0.000) 3.019 12.877 ( -12.748 9.119 0.000) 15.673 13.073 ( 2.330 -1.627 0.000) 2.842 13.651 ( -5.804 13.510 0.000) 14.704 13.955 ( -15.891 -5.090 0.000) 16.687 14.708 ( 8.010 -0.240 0.000) 8.014 14.766 ( -14.864 -4.169 0.000) 15.437 14.832 ( 1.507 -0.855 0.000) 1.732 15.349 ( 19.631 -10.287 0.000) 22.163 15.633 ( 0.491 -0.790 0.000) 0.930 15.641 ( 4.934 -2.662 0.000) 5.607 15.720 ( 13.186 -0.950 0.000) 13.220 15.882 ( 11.086 1.499 0.000) 11.187 16.494 ( 0.931 -1.807 0.000) 2.033 23.905 ( 0.105 0.162 0.000) 0.193 24.090 ( 0.136 -1.395 0.000) 1.402 24.112 ( -0.700 -0.998 0.000) 1.219 24.180 ( 0.033 4.889 0.000) 4.889 24.196 ( 2.315 -1.763 0.000) 2.910 24.497 ( -0.087 0.040 0.000) 0.096 25.018 ( -6.364 6.706 0.000) 9.245 25.173 ( -17.316 18.001 0.000) 24.978 26.425 ( -4.692 -0.921 0.000) 4.781 26.601 ( -0.995 -3.904 0.000) 4.029 26.732 ( 2.052 3.667 0.000) 4.202 26.786 ( -0.425 -1.965 0.000) 2.011 26.791 ( -3.185 -1.609 0.000) 3.569 26.959 ( 7.325 4.262 0.000) 8.474 27.571 ( 10.677 -14.809 0.000) 18.256 28.157 ( 7.979 -14.382 0.000) 16.447 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 15.351 11.170 0.000) 18.984 1.185 ( 1.452 16.605 0.000) 16.668 1.256 ( 0.982 23.136 0.000) 23.157 1.302 ( 1.513 11.596 0.000) 11.695 1.751 ( 5.549 2.203 0.000) 5.971 1.798 ( 2.816 4.659 0.000) 5.443 1.831 ( 2.410 3.314 0.000) 4.097 1.940 ( 4.413 3.034 0.000) 5.356 2.269 ( 7.603 7.584 0.000) 10.739 2.502 ( -4.733 3.789 0.000) 6.063 2.762 ( 4.206 -3.815 0.000) 5.678 2.863 ( -10.948 -2.154 0.000) 11.158 2.946 ( -2.609 -7.875 0.000) 8.296 3.045 ( -0.761 4.748 0.000) 4.809 3.088 ( 2.907 -3.559 0.000) 4.595 3.158 ( 10.735 -0.134 0.000) 10.736 3.337 ( 1.741 -1.382 0.000) 2.223 3.408 ( -1.341 -0.192 0.000) 1.355 3.477 ( 8.177 -6.415 0.000) 10.394 3.544 ( 7.683 -1.358 0.000) 7.802 3.600 ( 16.058 -4.949 0.000) 16.804 3.749 ( 14.365 3.197 0.000) 14.717 3.905 ( 2.621 5.780 0.000) 6.347 3.915 ( 0.194 2.547 0.000) 2.555 4.048 ( 1.356 3.419 0.000) 3.678 4.055 ( 12.106 -2.555 0.000) 12.373 4.110 ( 3.418 2.019 0.000) 3.970 4.286 ( 4.091 -1.076 0.000) 4.231 4.287 ( 9.219 -7.656 0.000) 11.984 4.447 ( 14.605 0.111 0.000) 14.605 4.573 ( -2.364 5.562 0.000) 6.044 4.652 ( 6.139 2.301 0.000) 6.556 4.891 ( 7.211 -8.671 0.000) 11.278 5.098 ( 10.999 -2.142 0.000) 11.206 5.423 ( 6.408 -3.903 0.000) 7.503 5.438 ( 11.900 -6.845 0.000) 13.728 5.610 ( 3.385 7.706 0.000) 8.417 5.980 ( -1.136 3.599 0.000) 3.774 6.208 ( -8.323 14.709 0.000) 16.900 6.325 ( 0.161 2.699 0.000) 2.704 6.592 ( 1.789 5.168 0.000) 5.469 7.074 ( 0.771 3.661 0.000) 3.741 7.120 ( 3.367 0.846 0.000) 3.471 7.246 ( -0.514 5.180 0.000) 5.206 7.316 ( -2.033 -0.940 0.000) 2.239 7.356 ( 1.812 -3.359 0.000) 3.816 7.378 ( 0.222 -4.456 0.000) 4.461 7.445 ( -3.852 -1.961 0.000) 4.323 7.750 ( 3.805 -1.966 0.000) 4.282 8.066 ( 2.316 -2.232 0.000) 3.216 8.153 ( 1.811 7.431 0.000) 7.649 8.269 ( -0.777 4.369 0.000) 4.437 8.429 ( -1.720 -12.696 0.000) 12.812 8.520 ( -5.160 -3.876 0.000) 6.453 8.729 ( 2.453 -2.248 0.000) 3.327 8.829 ( 2.884 4.429 0.000) 5.286 9.157 ( -5.659 -11.256 0.000) 12.599 9.676 ( -7.224 -1.590 0.000) 7.397 9.934 ( 0.736 -10.071 0.000) 10.098 10.052 ( -4.656 -2.876 0.000) 5.473 10.124 ( 0.768 -5.189 0.000) 5.245 10.213 ( -5.799 -1.653 0.000) 6.030 10.299 ( 1.558 -2.250 0.000) 2.737 10.675 ( -14.842 -2.991 0.000) 15.141 11.986 ( 0.406 4.666 0.000) 4.683 12.337 ( -9.317 3.842 0.000) 10.078 12.590 ( -14.042 10.329 0.000) 17.432 12.709 ( -2.820 -2.387 0.000) 3.694 13.117 ( 1.776 -4.522 0.000) 4.859 13.498 ( -8.845 12.845 0.000) 15.596 13.642 ( -13.790 -4.362 0.000) 14.464 14.519 ( -9.125 -3.991 0.000) 9.960 14.824 ( 1.154 -0.544 0.000) 1.276 14.909 ( 7.572 0.715 0.000) 7.605 15.413 ( -6.784 6.522 0.000) 9.411 15.620 ( -0.928 0.786 0.000) 1.216 15.771 ( 8.268 -3.792 0.000) 9.096 16.018 ( 14.113 -3.952 0.000) 14.656 16.182 ( 14.513 -3.223 0.000) 14.867 16.509 ( 0.427 -1.957 0.000) 2.003 23.908 ( 0.201 0.105 0.000) 0.227 24.092 ( 0.120 -1.447 0.000) 1.452 24.110 ( 0.417 -0.456 0.000) 0.618 24.181 ( 0.075 4.499 0.000) 4.500 24.232 ( 1.270 -1.762 0.000) 2.172 24.495 ( -0.116 -0.056 0.000) 0.129 24.854 ( -5.550 9.463 0.000) 10.971 25.043 ( -3.744 4.457 0.000) 5.821 26.339 ( -3.555 -0.143 0.000) 3.558 26.582 ( -0.914 -3.690 0.000) 3.802 26.714 ( -3.999 -2.366 0.000) 4.647 26.762 ( -1.759 -0.476 0.000) 1.822 26.765 ( 1.313 4.301 0.000) 4.497 27.122 ( 7.967 2.307 0.000) 8.294 27.516 ( -8.675 -2.632 0.000) 9.065 28.335 ( 7.528 -14.868 0.000) 16.666 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -8.489 9.415 0.000) 12.677 1.164 ( -1.759 20.962 0.000) 21.035 1.494 ( 12.803 8.120 0.000) 15.161 1.580 ( 13.623 10.822 0.000) 17.398 1.761 ( -0.646 4.729 0.000) 4.773 1.891 ( 8.983 3.916 0.000) 9.799 1.935 ( 3.198 6.316 0.000) 7.079 2.038 ( 5.375 -4.856 0.000) 7.244 2.242 ( -3.761 -3.136 0.000) 4.897 2.441 ( -4.250 2.436 0.000) 4.899 2.585 ( -15.255 2.307 0.000) 15.428 2.718 ( -7.801 2.068 0.000) 8.070 2.916 ( -0.404 -5.680 0.000) 5.694 3.119 ( 4.738 2.936 0.000) 5.574 3.136 ( 2.593 0.671 0.000) 2.679 3.303 ( 3.758 -2.471 0.000) 4.498 3.346 ( 0.350 -0.578 0.000) 0.676 3.392 ( -0.053 0.237 0.000) 0.243 3.617 ( 6.050 -5.201 0.000) 7.978 3.689 ( 6.530 -0.730 0.000) 6.570 3.823 ( -3.247 -1.572 0.000) 3.607 3.855 ( 1.339 0.606 0.000) 1.470 3.969 ( 7.767 -0.217 0.000) 7.770 3.976 ( 3.149 1.842 0.000) 3.648 4.113 ( 5.327 4.579 0.000) 7.024 4.178 ( 4.366 -0.563 0.000) 4.402 4.252 ( 5.417 -6.282 0.000) 8.295 4.349 ( 2.693 1.141 0.000) 2.924 4.394 ( -2.963 -1.645 0.000) 3.389 4.587 ( -2.474 2.765 0.000) 3.710 4.747 ( 21.497 7.219 0.000) 22.676 4.792 ( 9.006 -1.105 0.000) 9.074 4.961 ( 1.343 -3.810 0.000) 4.040 5.419 ( 18.432 -2.842 0.000) 18.649 5.494 ( 0.909 -1.922 0.000) 2.126 5.718 ( 10.883 -4.560 0.000) 11.799 5.848 ( 14.005 2.110 0.000) 14.163 5.970 ( 1.320 4.647 0.000) 4.831 6.132 ( -0.482 9.574 0.000) 9.586 6.336 ( 0.875 2.317 0.000) 2.477 6.614 ( 0.344 5.600 0.000) 5.611 7.079 ( -0.071 2.018 0.000) 2.019 7.186 ( 3.829 1.709 0.000) 4.193 7.239 ( 1.124 4.873 0.000) 5.001 7.280 ( -1.345 -1.366 0.000) 1.917 7.357 ( -2.377 -2.563 0.000) 3.496 7.383 ( -0.027 -4.156 0.000) 4.156 7.420 ( 1.852 -2.527 0.000) 3.133 7.800 ( 0.268 -5.342 0.000) 5.349 8.033 ( -3.811 -4.633 0.000) 6.000 8.182 ( 0.680 6.925 0.000) 6.958 8.241 ( -2.213 2.323 0.000) 3.208 8.387 ( -2.002 -11.081 0.000) 11.261 8.415 ( -4.908 0.383 0.000) 4.923 8.779 ( 0.091 -9.107 0.000) 9.107 8.866 ( 0.930 5.368 0.000) 5.448 8.971 ( -9.771 -5.960 0.000) 11.445 9.549 ( -3.885 7.343 0.000) 8.307 9.865 ( -6.068 -0.928 0.000) 6.139 10.018 ( 0.673 -12.262 0.000) 12.280 10.124 ( -0.369 -6.473 0.000) 6.483 10.134 ( -1.965 -2.572 0.000) 3.237 10.307 ( -0.955 -2.513 0.000) 2.688 10.407 ( -9.948 -0.812 0.000) 9.981 11.986 ( -0.443 2.963 0.000) 2.995 12.214 ( -3.627 0.419 0.000) 3.651 12.372 ( -7.152 12.324 0.000) 14.249 12.655 ( -2.205 -2.418 0.000) 3.272 13.146 ( 1.557 -4.690 0.000) 4.941 13.328 ( -7.532 10.873 0.000) 13.227 13.434 ( -6.833 -3.833 0.000) 7.834 14.399 ( -3.314 -4.291 0.000) 5.422 14.828 ( -0.100 0.303 0.000) 0.319 15.038 ( 4.584 -0.790 0.000) 4.652 15.267 ( -6.172 9.177 0.000) 11.060 15.605 ( -0.446 2.356 0.000) 2.398 15.900 ( 4.403 -0.129 0.000) 4.405 16.241 ( 7.774 -5.073 0.000) 9.283 16.407 ( 7.722 -3.227 0.000) 8.369 16.511 ( -0.102 -2.235 0.000) 2.237 23.912 ( 0.185 0.046 0.000) 0.191 24.094 ( 0.030 -1.488 0.000) 1.489 24.124 ( 0.760 -0.102 0.000) 0.767 24.183 ( 0.064 4.147 0.000) 4.148 24.248 ( 0.387 -1.447 0.000) 1.498 24.493 ( -0.076 -0.154 0.000) 0.172 24.803 ( -0.030 5.507 0.000) 5.507 24.956 ( -4.733 2.425 0.000) 5.318 26.287 ( -1.720 0.153 0.000) 1.727 26.567 ( -0.524 -3.789 0.000) 3.825 26.644 ( -2.642 -1.637 0.000) 3.108 26.728 ( -1.363 -1.359 0.000) 1.925 26.785 ( 0.694 5.032 0.000) 5.080 27.252 ( 4.693 1.185 0.000) 4.840 27.355 ( -6.222 2.148 0.000) 6.583 28.444 ( 3.496 -12.383 0.000) 12.867 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 9.439 0.000) 9.439 1.144 ( -0.000 21.753 0.000) 21.753 1.623 ( 0.000 4.936 0.000) 4.936 1.721 ( -0.000 9.298 0.000) 9.298 1.767 ( 0.000 3.297 0.000) 3.297 1.962 ( -0.000 6.739 0.000) 6.739 2.053 ( -0.000 4.558 0.000) 4.558 2.132 ( -0.000 -10.656 0.000) 10.656 2.209 ( 0.000 -2.200 0.000) 2.200 2.352 ( 0.000 0.420 0.000) 0.420 2.361 ( 0.000 4.393 0.000) 4.393 2.619 ( 0.000 8.126 0.000) 8.126 2.912 ( 0.000 -4.981 0.000) 4.981 3.143 ( 0.000 -1.374 0.000) 1.374 3.188 ( -0.000 3.294 0.000) 3.294 3.328 ( 0.000 -2.671 0.000) 2.671 3.354 ( -0.000 -2.356 0.000) 2.356 3.398 ( 0.000 2.285 0.000) 2.285 3.715 ( 0.000 -2.157 0.000) 2.157 3.748 ( -0.000 -4.929 0.000) 4.929 3.783 ( -0.000 -12.568 0.000) 12.568 3.819 ( 0.000 14.871 0.000) 14.871 4.005 ( 0.000 -0.111 0.000) 0.111 4.035 ( 0.000 1.661 0.000) 1.661 4.166 ( 0.000 0.835 0.000) 0.835 4.279 ( 0.000 -4.326 0.000) 4.326 4.319 ( 0.000 -0.525 0.000) 0.525 4.330 ( -0.000 -4.243 0.000) 4.243 4.434 ( -0.000 2.768 0.000) 2.768 4.473 ( 0.000 3.437 0.000) 3.437 4.904 ( 0.000 -1.126 0.000) 1.126 4.965 ( 0.000 -1.840 0.000) 1.840 5.018 ( 0.000 5.710 0.000) 5.710 5.500 ( 0.000 -1.516 0.000) 1.516 5.687 ( -0.000 -5.262 0.000) 5.262 5.784 ( 0.000 -0.690 0.000) 0.690 5.935 ( -0.000 2.774 0.000) 2.774 6.055 ( 0.000 3.837 0.000) 3.837 6.122 ( 0.000 8.992 0.000) 8.992 6.347 ( 0.000 2.668 0.000) 2.668 6.614 ( 0.000 5.282 0.000) 5.282 7.081 ( 0.000 1.395 0.000) 1.395 7.258 ( -0.000 -2.424 0.000) 2.424 7.267 ( 0.000 0.909 0.000) 0.909 7.276 ( 0.000 2.547 0.000) 2.547 7.328 ( 0.000 -2.714 0.000) 2.714 7.371 ( -0.000 -1.115 0.000) 1.115 7.449 ( -0.000 -0.211 0.000) 0.211 7.774 ( 0.000 -9.707 0.000) 9.707 7.985 ( -0.000 -6.396 0.000) 6.396 8.190 ( 0.000 8.234 0.000) 8.234 8.201 ( 0.000 -2.062 0.000) 2.062 8.358 ( -0.000 3.757 0.000) 3.757 8.365 ( 0.000 -10.507 0.000) 10.507 8.707 ( 0.000 -13.683 0.000) 13.683 8.874 ( 0.000 5.213 0.000) 5.213 8.916 ( 0.000 2.009 0.000) 2.009 9.514 ( 0.000 8.575 0.000) 8.575 9.793 ( 0.000 -0.176 0.000) 0.176 10.027 ( 0.000 -11.563 0.000) 11.563 10.119 ( 0.000 -4.491 0.000) 4.491 10.120 ( 0.000 -7.840 0.000) 7.840 10.261 ( 0.000 -1.700 0.000) 1.700 10.335 ( 0.000 -0.419 0.000) 0.419 11.978 ( 0.000 2.192 0.000) 2.192 12.179 ( 0.000 -0.396 0.000) 0.396 12.304 ( 0.000 13.191 0.000) 13.191 12.632 ( 0.000 -2.435 0.000) 2.435 13.185 ( 0.000 -6.994 0.000) 6.994 13.225 ( 0.000 12.516 0.000) 12.516 13.367 ( 0.000 -3.648 0.000) 3.648 14.369 ( -0.000 -4.444 0.000) 4.444 14.827 ( 0.000 0.422 0.000) 0.422 15.084 ( -0.000 -1.513 0.000) 1.513 15.201 ( -0.000 9.837 0.000) 9.837 15.601 ( 0.000 3.171 0.000) 3.171 15.944 ( 0.000 1.026 0.000) 1.026 16.319 ( 0.000 -5.365 0.000) 5.365 16.486 ( -0.000 -3.075 0.000) 3.075 16.508 ( 0.000 -2.440 0.000) 2.440 23.914 ( -0.000 0.020 0.000) 0.020 24.094 ( -0.000 -1.502 0.000) 1.502 24.133 ( -0.000 -0.067 0.000) 0.067 24.183 ( 0.000 4.010 0.000) 4.010 24.251 ( -0.000 -1.220 0.000) 1.220 24.492 ( 0.000 -0.196 0.000) 0.196 24.822 ( 0.000 4.748 0.000) 4.748 24.888 ( -0.000 1.467 0.000) 1.467 26.270 ( 0.000 0.233 0.000) 0.233 26.562 ( -0.000 -3.829 0.000) 3.829 26.617 ( 0.000 -1.324 0.000) 1.324 26.714 ( 0.000 -1.772 0.000) 1.772 26.792 ( -0.000 5.307 0.000) 5.307 27.291 ( -0.000 3.638 0.000) 3.638 27.300 ( 0.000 0.827 0.000) 0.827 28.478 ( 0.000 -11.763 0.000) 11.763 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 21.851 0.000) 21.851 1.054 ( 0.000 25.949 0.000) 25.949 1.646 ( 0.000 0.137 0.000) 0.137 1.817 ( 0.000 9.592 0.000) 9.592 1.819 ( 0.000 1.105 0.000) 1.105 1.847 ( 0.000 27.856 0.000) 27.856 1.930 ( 0.000 25.041 0.000) 25.041 2.180 ( 0.000 -1.087 0.000) 1.087 2.308 ( 0.000 8.083 0.000) 8.083 2.558 ( 0.000 -0.086 0.000) 0.086 2.598 ( 0.000 -4.930 0.000) 4.930 2.797 ( 0.000 12.985 0.000) 12.985 2.798 ( 0.000 -6.599 0.000) 6.599 2.806 ( 0.000 -8.681 0.000) 8.681 2.930 ( 0.000 -0.652 0.000) 0.652 2.936 ( 0.000 0.772 0.000) 0.772 2.973 ( 0.000 -9.000 0.000) 9.000 3.181 ( 0.000 -9.711 0.000) 9.711 3.223 ( 0.000 -5.505 0.000) 5.505 3.453 ( 0.000 0.372 0.000) 0.372 3.454 ( 0.000 2.930 0.000) 2.930 3.611 ( 0.000 2.242 0.000) 2.242 3.634 ( 0.000 -5.395 0.000) 5.395 3.864 ( 0.000 4.397 0.000) 4.397 3.873 ( 0.000 -0.013 0.000) 0.013 3.921 ( 0.000 0.468 0.000) 0.468 3.964 ( 0.000 -7.663 0.000) 7.663 4.122 ( 0.000 5.243 0.000) 5.243 4.219 ( 0.000 -10.150 0.000) 10.150 4.290 ( 0.000 10.578 0.000) 10.578 4.356 ( 0.000 5.612 0.000) 5.612 4.479 ( 0.000 -3.016 0.000) 3.016 4.804 ( 0.000 10.701 0.000) 10.701 4.881 ( 0.000 -6.973 0.000) 6.973 5.030 ( 0.000 -14.236 0.000) 14.236 5.319 ( 0.000 -5.831 0.000) 5.831 5.899 ( 0.000 8.442 0.000) 8.442 6.075 ( 0.000 2.964 0.000) 2.964 6.434 ( 0.000 7.382 0.000) 7.382 6.599 ( 0.000 5.585 0.000) 5.585 6.976 ( 0.000 -3.940 0.000) 3.940 7.034 ( 0.000 -9.868 0.000) 9.868 7.095 ( 0.000 2.876 0.000) 2.876 7.222 ( 0.000 -0.786 0.000) 0.786 7.326 ( 0.000 -2.154 0.000) 2.154 7.369 ( 0.000 -0.879 0.000) 0.879 7.379 ( 0.000 5.341 0.000) 5.341 7.716 ( 0.000 1.556 0.000) 1.556 7.739 ( 0.000 -1.528 0.000) 1.528 7.909 ( 0.000 -1.852 0.000) 1.852 7.934 ( 0.000 -7.493 0.000) 7.493 8.223 ( 0.000 -16.777 0.000) 16.777 8.360 ( 0.000 13.716 0.000) 13.716 8.512 ( 0.000 12.926 0.000) 12.926 8.580 ( 0.000 -2.982 0.000) 2.982 8.746 ( 0.000 1.613 0.000) 1.613 9.113 ( 0.000 -0.917 0.000) 0.917 9.414 ( 0.000 4.762 0.000) 4.762 9.580 ( 0.000 -18.029 0.000) 18.029 9.888 ( 0.000 -11.748 0.000) 11.748 10.185 ( 0.000 0.501 0.000) 0.501 10.309 ( 0.000 -3.766 0.000) 3.766 10.369 ( 0.000 7.488 0.000) 7.488 10.873 ( 0.000 -8.245 0.000) 8.245 12.139 ( 0.000 10.661 0.000) 10.661 12.700 ( 0.000 -5.341 0.000) 5.341 13.027 ( 0.000 -1.912 0.000) 1.912 13.038 ( 0.000 -0.235 0.000) 0.235 13.246 ( 0.000 13.304 0.000) 13.304 14.000 ( 0.000 -9.757 0.000) 9.757 14.018 ( 0.000 16.258 0.000) 16.258 14.613 ( 0.000 0.076 0.000) 0.076 14.730 ( 0.000 -4.271 0.000) 4.271 14.843 ( 0.000 -9.397 0.000) 9.397 14.958 ( 0.000 6.052 0.000) 6.052 15.385 ( 0.000 -6.381 0.000) 6.381 15.555 ( 0.000 1.471 0.000) 1.471 15.649 ( 0.000 -0.694 0.000) 0.694 15.980 ( 0.000 8.875 0.000) 8.875 16.427 ( 0.000 -4.053 0.000) 4.053 23.915 ( 0.000 1.068 0.000) 1.068 24.050 ( 0.000 -2.412 0.000) 2.412 24.106 ( 0.000 -1.243 0.000) 1.243 24.131 ( 0.000 -1.224 0.000) 1.224 24.297 ( 0.000 6.205 0.000) 6.205 24.495 ( 0.000 -0.591 0.000) 0.591 25.168 ( 0.000 7.056 0.000) 7.056 25.641 ( 0.000 -5.933 0.000) 5.933 26.452 ( 0.000 -1.508 0.000) 1.508 26.517 ( 0.000 -4.222 0.000) 4.222 26.671 ( 0.000 -1.567 0.000) 1.567 26.777 ( 0.000 -3.541 0.000) 3.541 26.819 ( 0.000 6.664 0.000) 6.664 26.968 ( 0.000 3.220 0.000) 3.220 27.294 ( 0.000 10.635 0.000) 10.635 27.916 ( 0.000 -10.565 0.000) 10.565 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 9.055 18.851 0.000) 20.913 1.294 ( 17.329 19.562 0.000) 26.134 1.664 ( 1.392 1.836 0.000) 2.304 1.718 ( -12.085 4.416 0.000) 12.866 1.817 ( 1.040 4.245 0.000) 4.370 1.841 ( 0.267 26.542 0.000) 26.544 1.978 ( 3.920 20.377 0.000) 20.751 2.099 ( -4.800 6.518 0.000) 8.095 2.313 ( 0.178 2.307 0.000) 2.314 2.596 ( -1.845 -4.570 0.000) 4.928 2.716 ( 0.682 7.143 0.000) 7.175 2.740 ( 12.781 -2.276 0.000) 12.982 2.825 ( -0.804 -3.082 0.000) 3.185 2.942 ( 3.578 -1.354 0.000) 3.826 2.948 ( 8.923 -9.470 0.000) 13.012 3.007 ( 7.807 -5.563 0.000) 9.586 3.061 ( 6.558 2.454 0.000) 7.002 3.241 ( 7.057 -8.032 0.000) 10.692 3.317 ( 8.241 -2.357 0.000) 8.572 3.418 ( -1.433 1.578 0.000) 2.132 3.508 ( -1.842 2.110 0.000) 2.801 3.586 ( 4.352 1.854 0.000) 4.731 3.761 ( 12.597 -4.271 0.000) 13.302 3.920 ( -0.347 -1.961 0.000) 1.991 3.923 ( 4.957 2.474 0.000) 5.540 3.967 ( 7.758 0.935 0.000) 7.814 3.994 ( 2.733 -5.769 0.000) 6.383 4.166 ( 2.046 2.376 0.000) 3.135 4.231 ( 5.028 1.990 0.000) 5.408 4.312 ( -1.121 7.089 0.000) 7.177 4.441 ( 12.036 -0.561 0.000) 12.049 4.569 ( 6.811 -3.718 0.000) 7.760 4.769 ( -3.170 9.312 0.000) 9.837 4.913 ( 3.085 -6.982 0.000) 7.633 5.075 ( 5.063 -12.997 0.000) 13.949 5.300 ( -1.270 -5.619 0.000) 5.761 5.826 ( -4.777 9.387 0.000) 10.533 6.070 ( -0.792 2.710 0.000) 2.824 6.417 ( -1.535 6.209 0.000) 6.396 6.654 ( 4.361 6.811 0.000) 8.087 6.771 ( -19.296 1.219 0.000) 19.335 7.020 ( 4.171 -2.908 0.000) 5.084 7.135 ( 1.298 2.217 0.000) 2.569 7.239 ( 1.840 -1.298 0.000) 2.252 7.308 ( -1.446 -2.649 0.000) 3.018 7.346 ( -2.092 -1.068 0.000) 2.348 7.387 ( 0.705 6.047 0.000) 6.087 7.566 ( -11.377 3.039 0.000) 11.776 7.681 ( 0.417 0.150 0.000) 0.443 7.868 ( 6.939 -4.456 0.000) 8.246 8.165 ( 1.338 -12.696 0.000) 12.766 8.260 ( 3.907 -11.680 0.000) 12.317 8.363 ( 0.310 13.824 0.000) 13.827 8.560 ( -1.530 0.189 0.000) 1.542 8.601 ( 5.996 6.385 0.000) 8.759 8.790 ( 3.816 0.610 0.000) 3.864 9.121 ( -0.938 -1.317 0.000) 1.617 9.510 ( 7.710 -2.197 0.000) 8.017 9.593 ( 1.331 -18.381 0.000) 18.430 9.895 ( 0.617 -13.536 0.000) 13.550 10.145 ( -3.946 0.329 0.000) 3.959 10.267 ( -4.078 -3.522 0.000) 5.388 10.350 ( -1.786 6.622 0.000) 6.859 10.798 ( -7.449 -7.525 0.000) 10.588 12.137 ( -0.245 10.252 0.000) 10.255 12.683 ( -1.747 -5.263 0.000) 5.545 12.788 ( -17.660 6.091 0.000) 18.681 13.036 ( -0.793 -2.321 0.000) 2.453 13.104 ( -12.405 13.118 0.000) 18.055 13.814 ( -14.985 -8.977 0.000) 17.468 13.925 ( -7.442 14.069 0.000) 15.916 14.645 ( -13.894 -8.152 0.000) 16.109 14.707 ( 7.617 0.198 0.000) 7.620 14.801 ( 4.921 -2.220 0.000) 5.398 15.263 ( 22.017 0.654 0.000) 22.026 15.567 ( 10.954 -5.118 0.000) 12.090 15.622 ( 2.537 -0.073 0.000) 2.538 15.697 ( 8.066 -1.372 0.000) 8.182 15.981 ( 1.978 7.680 0.000) 7.931 16.432 ( 0.417 -4.528 0.000) 4.547 23.915 ( 0.059 1.047 0.000) 1.048 24.051 ( 0.083 -2.444 0.000) 2.446 24.097 ( -0.128 -0.430 0.000) 0.449 24.157 ( 1.792 -2.011 0.000) 2.694 24.294 ( -0.270 6.080 0.000) 6.086 24.493 ( -0.188 -0.657 0.000) 0.683 25.134 ( -3.659 6.409 0.000) 7.380 25.396 ( -16.756 4.244 0.000) 17.285 26.408 ( -3.489 -0.632 0.000) 3.546 26.513 ( -0.665 -4.402 0.000) 4.452 26.709 ( -0.116 -3.734 0.000) 3.736 26.754 ( -1.302 -3.177 0.000) 3.434 26.842 ( 1.958 6.656 0.000) 6.938 27.029 ( 5.522 2.320 0.000) 5.989 27.446 ( 9.130 1.532 0.000) 9.258 27.925 ( 2.374 -10.607 0.000) 10.870 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 11.701 13.423 0.000) 17.808 1.432 ( -13.943 8.911 0.000) 16.547 1.588 ( 11.919 13.832 0.000) 18.259 1.678 ( -0.055 10.105 0.000) 10.105 1.856 ( 1.950 1.044 0.000) 2.212 1.895 ( 5.521 19.319 0.000) 20.093 1.966 ( -2.668 11.388 0.000) 11.696 2.091 ( 2.098 9.690 0.000) 9.915 2.261 ( -4.707 -4.207 0.000) 6.313 2.529 ( -4.798 -3.428 0.000) 5.896 2.755 ( -0.769 -6.227 0.000) 6.274 2.802 ( 0.057 -1.227 0.000) 1.229 2.812 ( -4.667 -3.122 0.000) 5.616 3.069 ( 6.613 0.336 0.000) 6.622 3.106 ( 8.135 -5.274 0.000) 9.695 3.173 ( 5.129 7.292 0.000) 8.915 3.265 ( 9.189 -5.732 0.000) 10.830 3.402 ( 0.740 -0.198 0.000) 0.766 3.421 ( -2.666 0.193 0.000) 2.673 3.467 ( 5.977 -4.812 0.000) 7.673 3.525 ( 20.045 2.370 0.000) 20.185 3.810 ( 10.057 2.953 0.000) 10.482 3.929 ( 5.404 -2.339 0.000) 5.889 3.967 ( 2.281 -3.674 0.000) 4.324 4.016 ( 3.208 3.635 0.000) 4.848 4.088 ( 4.019 0.871 0.000) 4.113 4.166 ( 16.328 -5.590 0.000) 17.258 4.190 ( 1.222 3.898 0.000) 4.085 4.315 ( 3.677 3.900 0.000) 5.359 4.482 ( 15.186 3.610 0.000) 15.610 4.639 ( 4.003 -3.419 0.000) 5.265 4.714 ( 0.032 9.482 0.000) 9.482 4.734 ( 8.987 -5.548 0.000) 10.562 5.047 ( 12.627 -3.451 0.000) 13.090 5.278 ( 16.332 -9.275 0.000) 18.782 5.321 ( 4.343 -6.710 0.000) 7.993 5.788 ( 2.166 9.668 0.000) 9.908 6.050 ( -0.811 2.639 0.000) 2.761 6.379 ( -2.730 4.119 0.000) 4.942 6.442 ( -11.084 6.582 0.000) 12.891 6.734 ( 3.213 8.988 0.000) 9.545 7.122 ( 5.163 -1.178 0.000) 5.296 7.151 ( 0.079 3.069 0.000) 3.070 7.282 ( 2.261 -3.645 0.000) 4.289 7.282 ( -0.952 -4.021 0.000) 4.132 7.297 ( -2.540 -1.392 0.000) 2.896 7.394 ( -1.563 4.015 0.000) 4.309 7.406 ( -4.765 4.308 0.000) 6.424 7.710 ( 1.578 -1.681 0.000) 2.306 7.943 ( -0.196 -9.298 0.000) 9.300 8.146 ( -2.021 -14.053 0.000) 14.198 8.293 ( -1.025 -7.276 0.000) 7.348 8.374 ( 0.725 14.108 0.000) 14.127 8.529 ( -1.557 4.998 0.000) 5.235 8.682 ( 2.149 4.793 0.000) 5.253 8.871 ( 3.626 -0.402 0.000) 3.648 9.066 ( -4.015 1.004 0.000) 4.139 9.598 ( 0.389 -5.336 0.000) 5.350 9.628 ( 1.949 -19.340 0.000) 19.438 9.913 ( 0.874 -16.202 0.000) 16.226 10.031 ( -7.248 0.137 0.000) 7.249 10.164 ( -5.465 -3.088 0.000) 6.277 10.309 ( -2.009 3.558 0.000) 4.086 10.593 ( -12.128 -5.048 0.000) 13.137 12.126 ( -0.945 9.209 0.000) 9.257 12.479 ( -11.984 9.750 0.000) 15.449 12.635 ( -2.779 -5.124 0.000) 5.829 12.836 ( -12.615 13.677 0.000) 18.607 13.013 ( -1.222 -6.316 0.000) 6.433 13.519 ( -12.991 -7.946 0.000) 15.229 13.754 ( -9.287 12.856 0.000) 15.859 14.406 ( -9.279 -7.492 0.000) 11.926 14.821 ( 2.566 0.417 0.000) 2.599 14.910 ( 6.232 -0.729 0.000) 6.274 15.562 ( 1.993 7.494 0.000) 7.755 15.648 ( 1.250 2.287 0.000) 2.607 15.718 ( 10.012 -1.059 0.000) 10.068 15.919 ( 11.596 -5.641 0.000) 12.895 16.132 ( 11.298 -1.117 0.000) 11.353 16.437 ( -0.089 -5.390 0.000) 5.390 23.917 ( 0.123 0.981 0.000) 0.989 24.053 ( 0.063 -2.505 0.000) 2.506 24.106 ( 0.866 0.121 0.000) 0.875 24.190 ( 1.396 -2.283 0.000) 2.676 24.288 ( -0.324 5.783 0.000) 5.792 24.488 ( -0.261 -0.815 0.000) 0.856 25.017 ( -7.100 6.760 0.000) 9.803 25.147 ( -8.206 4.687 0.000) 9.451 26.340 ( -2.944 0.375 0.000) 2.968 26.494 ( -1.022 -4.697 0.000) 4.807 26.662 ( -3.082 -2.487 0.000) 3.960 26.726 ( -2.014 -3.162 0.000) 3.749 26.885 ( 2.101 7.326 0.000) 7.622 27.155 ( 6.343 0.550 0.000) 6.367 27.501 ( -2.292 2.109 0.000) 3.115 28.038 ( 7.152 -14.138 0.000) 15.844 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -7.420 11.982 0.000) 14.093 1.544 ( 4.337 14.418 0.000) 15.057 1.696 ( 2.664 9.841 0.000) 10.195 1.786 ( 7.564 6.330 0.000) 9.863 1.875 ( 0.763 -0.854 0.000) 1.145 1.942 ( -0.814 6.073 0.000) 6.127 2.053 ( 9.922 14.784 0.000) 17.805 2.116 ( 0.391 8.380 0.000) 8.389 2.199 ( -0.474 -0.447 0.000) 0.651 2.419 ( -5.572 -2.299 0.000) 6.028 2.644 ( -10.839 3.278 0.000) 11.323 2.710 ( -3.029 -4.596 0.000) 5.504 2.794 ( -0.395 -3.990 0.000) 4.010 3.178 ( 4.539 2.214 0.000) 5.050 3.210 ( 2.447 -6.738 0.000) 7.169 3.251 ( 2.459 5.780 0.000) 6.282 3.301 ( -1.564 -4.384 0.000) 4.655 3.418 ( 2.648 2.047 0.000) 3.347 3.512 ( -0.677 -9.588 0.000) 9.612 3.518 ( 7.394 -3.825 0.000) 8.325 3.796 ( -5.120 -1.132 0.000) 5.243 3.914 ( 15.149 2.421 0.000) 15.341 3.963 ( -0.983 -4.845 0.000) 4.944 4.051 ( 1.251 6.549 0.000) 6.668 4.157 ( 8.972 -1.221 0.000) 9.054 4.165 ( 3.274 -0.493 0.000) 3.311 4.207 ( 0.600 4.531 0.000) 4.570 4.335 ( -0.357 -3.875 0.000) 3.892 4.402 ( 4.518 3.718 0.000) 5.851 4.612 ( -4.011 -1.578 0.000) 4.310 4.774 ( 10.680 0.504 0.000) 10.692 4.858 ( 3.848 -5.117 0.000) 6.402 4.923 ( 18.393 10.004 0.000) 20.938 5.402 ( 20.169 1.001 0.000) 20.194 5.423 ( 3.717 -5.275 0.000) 6.453 5.641 ( 14.782 -3.922 0.000) 15.294 5.923 ( 8.784 5.198 0.000) 10.207 6.063 ( 3.219 3.923 0.000) 5.074 6.284 ( -2.457 5.702 0.000) 6.209 6.385 ( 0.846 2.074 0.000) 2.239 6.773 ( 0.577 10.292 0.000) 10.308 7.134 ( -1.439 3.096 0.000) 3.414 7.194 ( 1.660 -1.335 0.000) 2.130 7.255 ( -1.403 -2.159 0.000) 2.574 7.286 ( 1.759 -4.033 0.000) 4.400 7.303 ( -3.680 -2.109 0.000) 4.242 7.325 ( 1.602 -2.694 0.000) 3.134 7.389 ( 0.477 5.951 0.000) 5.970 7.709 ( -2.642 -3.459 0.000) 4.353 7.874 ( -4.933 -9.914 0.000) 11.074 8.096 ( -3.419 -14.921 0.000) 15.308 8.204 ( -7.328 -10.034 0.000) 12.426 8.393 ( 1.291 14.028 0.000) 14.087 8.495 ( -1.913 7.599 0.000) 7.836 8.691 ( -0.899 6.869 0.000) 6.928 8.917 ( 0.987 -1.041 0.000) 1.435 8.995 ( -2.084 4.472 0.000) 4.934 9.583 ( -0.596 -3.193 0.000) 3.248 9.665 ( 1.592 -20.453 0.000) 20.514 9.883 ( -6.576 0.982 0.000) 6.649 9.909 ( -1.240 -15.998 0.000) 16.046 10.075 ( -3.098 -3.471 0.000) 4.652 10.272 ( -1.887 0.091 0.000) 1.889 10.372 ( -8.301 -2.348 0.000) 8.627 12.101 ( -1.393 8.249 0.000) 8.365 12.313 ( -5.099 9.274 0.000) 10.583 12.582 ( -2.217 -5.056 0.000) 5.520 12.645 ( -6.126 14.522 0.000) 15.761 12.998 ( -0.197 -9.742 0.000) 9.744 13.324 ( -6.403 -7.300 0.000) 9.710 13.580 ( -7.292 13.540 0.000) 15.379 14.277 ( -3.906 -8.130 0.000) 9.020 14.843 ( 0.292 1.346 0.000) 1.377 15.008 ( 3.119 -2.377 0.000) 3.921 15.502 ( -3.918 13.833 0.000) 14.377 15.677 ( 1.384 4.947 0.000) 5.136 15.908 ( 6.739 0.834 0.000) 6.790 16.110 ( 6.833 -7.823 0.000) 10.387 16.330 ( 7.321 -4.264 0.000) 8.472 16.430 ( -0.436 -5.999 0.000) 6.014 23.920 ( 0.119 0.893 0.000) 0.901 24.053 ( 0.004 -2.543 0.000) 2.543 24.125 ( 0.873 0.340 0.000) 0.936 24.211 ( 0.731 -2.088 0.000) 2.213 24.283 ( -0.198 5.494 0.000) 5.498 24.483 ( -0.178 -0.970 0.000) 0.986 24.915 ( -2.384 5.270 0.000) 5.785 25.012 ( -5.802 2.671 0.000) 6.388 26.296 ( -1.481 0.881 0.000) 1.723 26.477 ( -0.610 -4.911 0.000) 4.949 26.609 ( -1.952 -1.573 0.000) 2.507 26.684 ( -1.763 -2.973 0.000) 3.456 26.920 ( 1.265 8.152 0.000) 8.249 27.261 ( 3.848 -0.797 0.000) 3.930 27.436 ( -3.001 6.398 0.000) 7.067 28.151 ( 3.821 -15.964 0.000) 16.415 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 13.276 0.000) 13.276 1.573 ( -0.000 18.353 0.000) 18.353 1.737 ( 0.000 5.829 0.000) 5.829 1.854 ( 0.000 4.567 0.000) 4.567 1.911 ( 0.000 -11.501 0.000) 11.501 1.918 ( -0.000 8.424 0.000) 8.424 2.120 ( -0.000 8.641 0.000) 8.641 2.210 ( -0.000 12.308 0.000) 12.308 2.212 ( -0.000 2.936 0.000) 2.936 2.346 ( -0.000 -0.164 0.000) 0.164 2.477 ( 0.000 7.008 0.000) 7.008 2.672 ( 0.000 -2.155 0.000) 2.155 2.792 ( 0.000 -5.054 0.000) 5.054 3.232 ( 0.000 -7.074 0.000) 7.074 3.235 ( 0.000 8.336 0.000) 8.336 3.272 ( -0.000 2.543 0.000) 2.543 3.278 ( -0.000 -5.629 0.000) 5.629 3.456 ( 0.000 3.412 0.000) 3.412 3.491 ( -0.000 -14.515 0.000) 14.515 3.663 ( -0.000 -3.021 0.000) 3.021 3.670 ( 0.000 -1.911 0.000) 1.911 3.950 ( 0.000 -6.380 0.000) 6.380 4.067 ( -0.000 1.274 0.000) 1.274 4.068 ( 0.000 6.788 0.000) 6.788 4.189 ( -0.000 1.978 0.000) 1.978 4.228 ( 0.000 1.304 0.000) 1.304 4.255 ( 0.000 -2.020 0.000) 2.020 4.299 ( -0.000 -1.309 0.000) 1.309 4.483 ( -0.000 2.123 0.000) 2.123 4.523 ( 0.000 0.904 0.000) 0.904 4.889 ( -0.000 -4.595 0.000) 4.595 4.892 ( 0.000 0.173 0.000) 0.173 5.154 ( 0.000 7.269 0.000) 7.269 5.453 ( 0.000 -3.234 0.000) 3.234 5.669 ( -0.000 2.410 0.000) 2.410 5.767 ( 0.000 -0.963 0.000) 0.963 6.006 ( -0.000 4.413 0.000) 4.413 6.141 ( 0.000 3.902 0.000) 3.902 6.271 ( -0.000 6.180 0.000) 6.180 6.401 ( 0.000 2.278 0.000) 2.278 6.771 ( 0.000 10.472 0.000) 10.472 7.120 ( 0.000 2.415 0.000) 2.415 7.204 ( 0.000 -2.738 0.000) 2.738 7.244 ( 0.000 -3.334 0.000) 3.334 7.264 ( 0.000 -3.465 0.000) 3.465 7.326 ( -0.000 -3.605 0.000) 3.605 7.335 ( 0.000 3.008 0.000) 3.008 7.424 ( -0.000 -2.300 0.000) 2.300 7.638 ( 0.000 -3.444 0.000) 3.444 7.824 ( -0.000 -9.146 0.000) 9.146 8.006 ( 0.000 -14.536 0.000) 14.536 8.127 ( 0.000 -12.450 0.000) 12.450 8.415 ( 0.000 15.081 0.000) 15.081 8.466 ( -0.000 7.184 0.000) 7.184 8.676 ( 0.000 9.504 0.000) 9.504 8.924 ( 0.000 -1.273 0.000) 1.273 8.981 ( 0.000 4.805 0.000) 4.805 9.581 ( -0.000 -1.986 0.000) 1.986 9.683 ( 0.000 -21.375 0.000) 21.375 9.809 ( 0.000 2.188 0.000) 2.188 9.889 ( 0.000 -15.875 0.000) 15.875 10.044 ( 0.000 -3.926 0.000) 3.926 10.238 ( 0.000 -0.279 0.000) 0.279 10.300 ( -0.000 -2.170 0.000) 2.170 12.084 ( 0.000 7.975 0.000) 7.975 12.263 ( 0.000 8.880 0.000) 8.880 12.558 ( 0.000 -5.060 0.000) 5.060 12.587 ( 0.000 14.746 0.000) 14.746 12.999 ( 0.000 -11.439 0.000) 11.439 13.261 ( 0.000 -7.064 0.000) 7.064 13.500 ( 0.000 14.500 0.000) 14.500 14.239 ( -0.000 -8.671 0.000) 8.671 14.845 ( 0.000 1.564 0.000) 1.564 15.038 ( -0.000 -3.185 0.000) 3.185 15.459 ( -0.000 15.478 0.000) 15.478 15.693 ( 0.000 6.045 0.000) 6.045 15.975 ( 0.000 1.763 0.000) 1.763 16.179 ( 0.000 -8.433 0.000) 8.433 16.406 ( -0.000 -4.804 0.000) 4.804 16.424 ( 0.000 -6.140 0.000) 6.140 23.921 ( -0.000 0.849 0.000) 0.849 24.053 ( 0.000 -2.551 0.000) 2.551 24.135 ( -0.000 0.358 0.000) 0.358 24.219 ( -0.000 -1.915 0.000) 1.915 24.281 ( 0.000 5.378 0.000) 5.378 24.481 ( 0.000 -1.032 0.000) 1.032 24.919 ( 0.000 4.284 0.000) 4.284 24.925 ( -0.000 2.154 0.000) 2.154 26.281 ( 0.000 1.030 0.000) 1.030 26.471 ( 0.000 -4.981 0.000) 4.981 26.589 ( 0.000 -1.186 0.000) 1.186 26.666 ( 0.000 -2.917 0.000) 2.917 26.933 ( -0.000 8.493 0.000) 8.493 27.300 ( 0.000 -1.271 0.000) 1.271 27.404 ( 0.000 7.968 0.000) 7.968 28.189 ( 0.000 -16.398 0.000) 16.398 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 14.269 0.000) 14.269 1.538 ( 0.000 22.765 0.000) 22.765 1.602 ( 0.000 -5.511 0.000) 5.511 1.835 ( 0.000 -3.127 0.000) 3.127 1.841 ( 0.000 1.613 0.000) 1.613 1.970 ( 0.000 -14.582 0.000) 14.582 2.358 ( 0.000 23.222 0.000) 23.222 2.389 ( 0.000 15.945 0.000) 15.945 2.469 ( 0.000 6.887 0.000) 6.887 2.549 ( 0.000 -1.073 0.000) 1.073 2.568 ( 0.000 1.613 0.000) 1.613 2.639 ( 0.000 -9.660 0.000) 9.660 2.654 ( 0.000 -6.153 0.000) 6.153 2.745 ( 0.000 -14.949 0.000) 14.949 2.907 ( 0.000 0.568 0.000) 0.568 2.926 ( 0.000 -0.178 0.000) 0.178 3.018 ( 0.000 -5.278 0.000) 5.278 3.020 ( 0.000 -2.612 0.000) 2.612 3.378 ( 0.000 25.016 0.000) 25.016 3.474 ( 0.000 1.872 0.000) 1.872 3.504 ( 0.000 1.056 0.000) 1.056 3.555 ( 0.000 -1.363 0.000) 1.363 3.599 ( 0.000 -3.043 0.000) 3.043 3.796 ( 0.000 -11.956 0.000) 11.956 3.886 ( 0.000 -0.281 0.000) 0.281 3.908 ( 0.000 -1.510 0.000) 1.510 3.924 ( 0.000 2.178 0.000) 2.178 4.002 ( 0.000 -8.594 0.000) 8.594 4.247 ( 0.000 7.438 0.000) 7.438 4.388 ( 0.000 -6.232 0.000) 6.232 4.468 ( 0.000 8.303 0.000) 8.303 4.549 ( 0.000 12.481 0.000) 12.481 4.672 ( 0.000 -12.364 0.000) 12.364 4.784 ( 0.000 -11.385 0.000) 11.385 5.012 ( 0.000 10.062 0.000) 10.062 5.188 ( 0.000 -7.747 0.000) 7.747 6.035 ( 0.000 5.233 0.000) 5.233 6.097 ( 0.000 -1.007 0.000) 1.007 6.608 ( 0.000 10.092 0.000) 10.092 6.731 ( 0.000 7.489 0.000) 7.489 6.821 ( 0.000 -11.257 0.000) 11.257 6.873 ( 0.000 -6.512 0.000) 6.512 7.144 ( 0.000 2.524 0.000) 2.524 7.194 ( 0.000 -2.180 0.000) 2.180 7.308 ( 0.000 0.477 0.000) 0.477 7.338 ( 0.000 -2.066 0.000) 2.066 7.535 ( 0.000 9.995 0.000) 9.995 7.719 ( 0.000 -0.419 0.000) 0.419 7.722 ( 0.000 -0.474 0.000) 0.474 7.750 ( 0.000 -11.117 0.000) 11.117 7.896 ( 0.000 0.972 0.000) 0.972 7.973 ( 0.000 -7.759 0.000) 7.759 8.570 ( 0.000 1.436 0.000) 1.436 8.573 ( 0.000 4.150 0.000) 4.150 8.790 ( 0.000 14.458 0.000) 14.458 8.854 ( 0.000 12.801 0.000) 12.801 9.029 ( 0.000 -8.522 0.000) 8.522 9.201 ( 0.000 -19.792 0.000) 19.792 9.515 ( 0.000 5.754 0.000) 5.754 9.662 ( 0.000 -9.874 0.000) 9.874 10.200 ( 0.000 1.278 0.000) 1.278 10.241 ( 0.000 -2.907 0.000) 2.907 10.526 ( 0.000 8.442 0.000) 8.442 10.699 ( 0.000 -9.099 0.000) 9.099 12.362 ( 0.000 11.318 0.000) 11.318 12.562 ( 0.000 -8.756 0.000) 8.756 13.016 ( 0.000 0.348 0.000) 0.348 13.028 ( 0.000 -0.710 0.000) 0.710 13.517 ( 0.000 13.881 0.000) 13.881 13.779 ( 0.000 -12.536 0.000) 12.536 14.334 ( 0.000 15.590 0.000) 15.590 14.619 ( 0.000 -13.174 0.000) 13.174 14.622 ( 0.000 0.944 0.000) 0.944 14.657 ( 0.000 -2.803 0.000) 2.803 15.094 ( 0.000 7.570 0.000) 7.570 15.246 ( 0.000 -7.621 0.000) 7.621 15.590 ( 0.000 1.971 0.000) 1.971 15.626 ( 0.000 -1.571 0.000) 1.571 16.161 ( 0.000 9.003 0.000) 9.003 16.319 ( 0.000 -6.901 0.000) 6.901 23.947 ( 0.000 2.210 0.000) 2.210 23.998 ( 0.000 -2.766 0.000) 2.766 24.094 ( 0.000 0.089 0.000) 0.089 24.107 ( 0.000 -1.065 0.000) 1.065 24.404 ( 0.000 4.439 0.000) 4.439 24.469 ( 0.000 -2.188 0.000) 2.188 25.325 ( 0.000 8.694 0.000) 8.694 25.497 ( 0.000 -8.438 0.000) 8.438 26.435 ( 0.000 -0.062 0.000) 0.062 26.455 ( 0.000 -2.070 0.000) 2.070 26.667 ( 0.000 1.114 0.000) 1.114 26.710 ( 0.000 -3.043 0.000) 3.043 26.937 ( 0.000 4.792 0.000) 4.792 26.993 ( 0.000 -0.800 0.000) 0.800 27.502 ( 0.000 10.483 0.000) 10.483 27.707 ( 0.000 -10.544 0.000) 10.544 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 5.228 12.701 0.000) 13.735 1.634 ( 3.113 -4.772 0.000) 5.697 1.642 ( 6.297 13.744 0.000) 15.118 1.753 ( -6.941 -0.259 0.000) 6.945 1.874 ( 3.526 4.465 0.000) 5.689 2.057 ( 5.810 -10.268 0.000) 11.798 2.314 ( -5.855 11.605 0.000) 12.999 2.349 ( -0.181 23.116 0.000) 23.117 2.375 ( -7.446 5.479 0.000) 9.245 2.534 ( -1.698 -1.677 0.000) 2.387 2.616 ( -1.555 -8.144 0.000) 8.291 2.676 ( 3.631 -7.556 0.000) 8.383 2.791 ( 12.508 -3.692 0.000) 13.042 2.847 ( -2.915 1.802 0.000) 3.427 2.858 ( 13.324 -8.246 0.000) 15.669 2.939 ( -0.413 -5.077 0.000) 5.094 3.094 ( 9.086 1.055 0.000) 9.147 3.149 ( 10.278 -3.221 0.000) 10.770 3.459 ( -2.199 2.603 0.000) 3.408 3.512 ( -3.850 -2.187 0.000) 4.428 3.522 ( 12.339 22.957 0.000) 26.063 3.621 ( 9.641 2.872 0.000) 10.059 3.689 ( 12.344 -3.452 0.000) 12.818 3.883 ( -0.258 0.230 0.000) 0.345 3.893 ( 8.749 -9.133 0.000) 12.648 3.923 ( 1.129 -2.969 0.000) 3.176 3.982 ( 4.738 1.440 0.000) 4.952 4.059 ( 4.264 -8.524 0.000) 9.531 4.314 ( 6.412 6.261 0.000) 8.962 4.406 ( 2.230 0.196 0.000) 2.238 4.517 ( 3.895 3.036 0.000) 4.939 4.598 ( 5.294 10.298 0.000) 11.579 4.714 ( 5.551 -10.844 0.000) 12.182 4.838 ( 6.170 -11.263 0.000) 12.842 4.968 ( -3.574 10.497 0.000) 11.088 5.160 ( -2.137 -8.633 0.000) 8.894 5.990 ( -3.032 6.831 0.000) 7.473 6.080 ( -1.545 -2.042 0.000) 2.560 6.558 ( -4.534 7.726 0.000) 8.958 6.703 ( -9.991 -6.478 0.000) 11.907 6.802 ( 5.963 7.727 0.000) 9.760 6.937 ( 5.685 -5.654 0.000) 8.018 7.162 ( 1.205 1.409 0.000) 1.854 7.200 ( 0.532 -2.251 0.000) 2.313 7.284 ( -2.168 0.387 0.000) 2.202 7.314 ( -2.193 -2.076 0.000) 3.020 7.532 ( -0.823 7.413 0.000) 7.459 7.614 ( -7.438 0.241 0.000) 7.442 7.697 ( -0.192 1.810 0.000) 1.820 7.764 ( 1.707 -4.979 0.000) 5.264 7.971 ( -0.164 -5.341 0.000) 5.344 8.017 ( 6.094 -9.244 0.000) 11.072 8.577 ( 1.642 5.706 0.000) 5.938 8.628 ( 3.812 2.599 0.000) 4.614 8.837 ( 3.913 14.127 0.000) 14.659 8.859 ( 0.408 11.406 0.000) 11.414 9.063 ( 2.453 -6.979 0.000) 7.398 9.206 ( 0.480 -20.256 0.000) 20.261 9.511 ( -0.214 2.593 0.000) 2.602 9.638 ( -2.288 -10.668 0.000) 10.910 10.160 ( -3.929 1.351 0.000) 4.155 10.201 ( -3.804 -2.856 0.000) 4.757 10.489 ( -3.572 7.473 0.000) 8.283 10.642 ( -5.609 -8.071 0.000) 9.828 12.352 ( -0.979 10.963 0.000) 11.007 12.547 ( -1.502 -8.549 0.000) 8.680 12.895 ( -10.286 4.819 0.000) 11.359 12.978 ( -4.799 -3.603 0.000) 6.001 13.367 ( -12.782 13.180 0.000) 18.360 13.611 ( -13.781 -11.550 0.000) 17.981 14.199 ( -10.066 13.642 0.000) 16.954 14.450 ( -12.269 -11.576 0.000) 16.868 14.719 ( 7.610 1.151 0.000) 7.696 14.754 ( 7.153 -2.271 0.000) 7.505 15.330 ( 18.402 5.348 0.000) 19.163 15.450 ( 15.106 -6.427 0.000) 16.416 15.635 ( 3.390 1.300 0.000) 3.631 15.666 ( 4.890 -1.723 0.000) 5.185 16.152 ( -0.515 9.010 0.000) 9.025 16.315 ( -0.387 -7.332 0.000) 7.343 23.948 ( 0.030 2.206 0.000) 2.206 23.998 ( 0.038 -2.784 0.000) 2.784 24.099 ( 0.589 0.627 0.000) 0.860 24.121 ( 1.186 -1.568 0.000) 1.966 24.400 ( -0.384 4.440 0.000) 4.457 24.465 ( -0.316 -2.253 0.000) 2.275 25.268 ( -5.445 6.903 0.000) 8.792 25.385 ( -9.626 -4.214 0.000) 10.508 26.407 ( -2.312 0.756 0.000) 2.432 26.441 ( -1.292 -2.726 0.000) 3.016 26.666 ( -0.720 -0.389 0.000) 0.818 26.691 ( -1.522 -2.657 0.000) 3.062 26.966 ( 2.670 5.392 0.000) 6.017 27.037 ( 3.984 -1.651 0.000) 4.313 27.553 ( 3.812 7.891 0.000) 8.764 27.727 ( 2.124 -9.568 0.000) 9.801 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -8.441 7.158 0.000) 11.068 1.598 ( 7.669 9.229 0.000) 11.999 1.695 ( -0.052 -2.518 0.000) 2.518 1.715 ( 4.510 -2.546 0.000) 5.179 1.950 ( 1.607 8.090 0.000) 8.248 2.096 ( -2.676 -4.558 0.000) 5.285 2.235 ( -0.800 7.442 0.000) 7.484 2.270 ( -1.615 5.125 0.000) 5.374 2.363 ( 1.778 22.631 0.000) 22.700 2.481 ( -3.119 0.334 0.000) 3.137 2.588 ( -1.063 -8.700 0.000) 8.765 2.698 ( -0.282 -10.590 0.000) 10.594 2.816 ( -0.700 3.439 0.000) 3.510 2.958 ( 2.495 -9.420 0.000) 9.745 3.028 ( 8.448 0.004 0.000) 8.448 3.123 ( 9.372 -7.941 0.000) 12.284 3.267 ( 6.902 4.000 0.000) 7.978 3.360 ( 7.980 -5.364 0.000) 9.615 3.409 ( -1.310 0.738 0.000) 1.503 3.423 ( -2.883 -0.428 0.000) 2.914 3.809 ( 14.629 19.756 0.000) 24.582 3.849 ( 0.451 0.778 0.000) 0.899 3.868 ( 2.940 -1.536 0.000) 3.317 3.965 ( 11.738 2.500 0.000) 12.001 4.052 ( 16.297 -5.645 0.000) 17.247 4.059 ( 5.165 1.149 0.000) 5.291 4.088 ( 5.297 -0.875 0.000) 5.369 4.137 ( 4.991 -10.442 0.000) 11.573 4.406 ( 2.284 5.387 0.000) 5.852 4.517 ( 5.036 -4.639 0.000) 6.848 4.623 ( 8.525 6.001 0.000) 10.425 4.705 ( 5.672 0.149 0.000) 5.674 4.932 ( 2.437 11.982 0.000) 12.227 4.983 ( 20.370 -0.778 0.000) 20.385 5.087 ( 20.131 -9.408 0.000) 22.221 5.155 ( 3.254 -10.149 0.000) 10.658 5.960 ( 0.743 7.261 0.000) 7.299 6.057 ( -0.193 -2.278 0.000) 2.286 6.455 ( -5.098 3.408 0.000) 6.132 6.497 ( -9.099 -0.325 0.000) 9.105 6.922 ( 5.304 9.262 0.000) 10.673 7.064 ( 6.126 -4.855 0.000) 7.816 7.176 ( 0.082 0.566 0.000) 0.572 7.210 ( 0.391 -3.102 0.000) 3.126 7.234 ( -2.541 -0.343 0.000) 2.564 7.262 ( -2.669 -2.354 0.000) 3.558 7.458 ( -4.947 6.178 0.000) 7.915 7.541 ( -1.696 1.563 0.000) 2.307 7.699 ( -0.253 0.966 0.000) 0.999 7.770 ( -1.381 -6.734 0.000) 6.874 7.952 ( -2.193 -2.094 0.000) 3.032 8.076 ( -0.727 -11.294 0.000) 11.317 8.614 ( 1.558 8.662 0.000) 8.801 8.704 ( 3.295 5.735 0.000) 6.614 8.864 ( -0.154 7.127 0.000) 7.129 8.910 ( 2.778 14.312 0.000) 14.579 9.091 ( 0.150 -1.707 0.000) 1.714 9.217 ( 0.569 -21.559 0.000) 21.566 9.503 ( -0.980 -2.865 0.000) 3.028 9.590 ( -1.767 -13.187 0.000) 13.305 10.052 ( -6.452 1.932 0.000) 6.735 10.102 ( -5.620 -3.026 0.000) 6.383 10.395 ( -5.405 4.687 0.000) 7.154 10.491 ( -8.839 -5.124 0.000) 10.217 12.323 ( -1.923 10.158 0.000) 10.339 12.505 ( -2.533 -8.111 0.000) 8.497 12.682 ( -9.639 10.191 0.000) 14.027 12.867 ( -5.491 -8.532 0.000) 10.146 13.101 ( -12.104 12.922 0.000) 17.706 13.335 ( -12.305 -10.730 0.000) 16.326 14.001 ( -9.308 12.270 0.000) 15.401 14.227 ( -9.335 -10.515 0.000) 14.061 14.842 ( 3.822 1.680 0.000) 4.175 14.881 ( 5.106 -2.038 0.000) 5.498 15.671 ( 12.489 3.577 0.000) 12.991 15.712 ( 4.452 4.187 0.000) 6.111 15.713 ( 10.743 -0.638 0.000) 10.762 15.808 ( 8.078 -5.449 0.000) 9.744 16.169 ( 3.064 5.144 0.000) 5.987 16.305 ( -0.545 -7.585 0.000) 7.605 23.949 ( 0.051 2.175 0.000) 2.175 23.999 ( 0.029 -2.807 0.000) 2.807 24.118 ( 1.170 1.085 0.000) 1.595 24.148 ( 1.347 -1.923 0.000) 2.348 24.391 ( -0.499 4.423 0.000) 4.451 24.458 ( -0.428 -2.394 0.000) 2.432 25.129 ( -7.719 4.649 0.000) 9.011 25.187 ( -9.037 -0.788 0.000) 9.072 26.360 ( -2.184 1.743 0.000) 2.794 26.411 ( -1.482 -3.505 0.000) 3.805 26.632 ( -2.156 -0.212 0.000) 2.166 26.659 ( -1.767 -2.876 0.000) 3.375 27.028 ( 3.201 6.692 0.000) 7.418 27.129 ( 4.691 -3.319 0.000) 5.747 27.604 ( 1.013 7.830 0.000) 7.895 27.791 ( 3.765 -11.053 0.000) 11.677 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -4.512 12.266 0.000) 13.070 1.681 ( -0.796 -10.454 0.000) 10.485 1.738 ( 5.588 6.154 0.000) 8.312 1.793 ( 2.911 0.620 0.000) 2.976 1.939 ( -1.268 4.704 0.000) 4.872 2.019 ( -3.538 -2.387 0.000) 4.268 2.264 ( 1.412 6.234 0.000) 6.392 2.269 ( 1.244 4.610 0.000) 4.775 2.427 ( 4.575 19.019 0.000) 19.561 2.430 ( -1.824 4.313 0.000) 4.683 2.572 ( -0.610 -8.152 0.000) 8.175 2.667 ( -3.047 -3.707 0.000) 4.798 2.807 ( -0.342 5.915 0.000) 5.924 3.024 ( 3.529 -13.950 0.000) 14.389 3.095 ( -0.248 -2.151 0.000) 2.165 3.173 ( -2.300 -7.670 0.000) 8.007 3.358 ( 2.521 5.130 0.000) 5.716 3.432 ( 0.130 -2.177 0.000) 2.181 3.454 ( 5.038 1.334 0.000) 5.212 3.474 ( 6.971 -1.125 0.000) 7.061 3.786 ( -5.140 0.561 0.000) 5.171 3.840 ( -3.330 -5.267 0.000) 6.231 4.012 ( 5.439 6.827 0.000) 8.728 4.113 ( -0.330 -2.079 0.000) 2.105 4.181 ( 6.150 3.638 0.000) 7.146 4.189 ( 6.738 3.131 0.000) 7.430 4.247 ( 3.817 -1.381 0.000) 4.059 4.258 ( 3.507 -3.752 0.000) 5.136 4.461 ( 3.105 2.417 0.000) 3.935 4.533 ( -0.927 -4.828 0.000) 4.916 4.803 ( 5.673 1.723 0.000) 5.929 4.822 ( 6.153 0.424 0.000) 6.168 5.119 ( 13.393 9.581 0.000) 16.467 5.292 ( 7.950 -7.909 0.000) 11.215 5.448 ( 23.127 3.889 0.000) 23.452 5.548 ( 20.570 -5.517 0.000) 21.297 6.030 ( 5.491 5.052 0.000) 7.462 6.095 ( 4.425 -1.006 0.000) 4.538 6.366 ( -2.272 2.921 0.000) 3.701 6.401 ( -0.641 -0.556 0.000) 0.849 6.994 ( 1.599 11.217 0.000) 11.331 7.150 ( 2.003 -3.540 0.000) 4.068 7.170 ( -0.475 0.956 0.000) 1.068 7.192 ( -1.436 -1.760 0.000) 2.271 7.215 ( 0.059 -4.095 0.000) 4.096 7.222 ( -1.072 -4.269 0.000) 4.402 7.374 ( -3.560 6.551 0.000) 7.456 7.482 ( -4.631 -0.688 0.000) 4.682 7.668 ( -3.015 -0.500 0.000) 3.056 7.710 ( -3.734 -5.462 0.000) 6.616 7.883 ( -4.212 -2.646 0.000) 4.974 7.989 ( -6.641 -10.090 0.000) 12.079 8.631 ( 0.319 9.745 0.000) 9.750 8.750 ( 1.370 10.864 0.000) 10.950 8.851 ( -0.965 1.809 0.000) 2.051 8.941 ( 0.566 14.687 0.000) 14.698 9.085 ( -0.316 2.167 0.000) 2.190 9.228 ( 0.485 -22.992 0.000) 22.997 9.481 ( -0.493 -4.672 0.000) 4.698 9.568 ( -0.924 -15.054 0.000) 15.083 9.929 ( -5.047 3.337 0.000) 6.050 10.002 ( -3.869 -3.850 0.000) 5.458 10.294 ( -4.138 1.619 0.000) 4.443 10.329 ( -6.291 -1.939 0.000) 6.583 12.282 ( -1.862 9.544 0.000) 9.724 12.456 ( -2.127 -7.811 0.000) 8.095 12.536 ( -4.764 12.528 0.000) 13.403 12.781 ( -2.881 -12.020 0.000) 12.360 12.919 ( -5.886 13.040 0.000) 14.306 13.150 ( -6.025 -10.365 0.000) 11.989 13.843 ( -6.036 13.073 0.000) 14.399 14.085 ( -4.912 -11.266 0.000) 12.290 14.884 ( 0.901 2.835 0.000) 2.974 14.948 ( 1.809 -3.445 0.000) 3.891 15.767 ( 0.712 11.778 0.000) 11.799 15.797 ( 3.453 7.109 0.000) 7.903 15.908 ( 6.653 -2.215 0.000) 7.013 15.949 ( 5.321 -8.216 0.000) 9.788 16.262 ( 4.749 -1.830 0.000) 5.089 16.300 ( 0.121 -5.805 0.000) 5.806 23.950 ( 0.045 2.110 0.000) 2.111 23.999 ( 0.002 -2.797 0.000) 2.797 24.140 ( 0.918 1.186 0.000) 1.499 24.171 ( 0.895 -1.913 0.000) 2.112 24.382 ( -0.326 4.386 0.000) 4.398 24.450 ( -0.289 -2.518 0.000) 2.535 25.000 ( -4.381 3.292 0.000) 5.480 25.038 ( -5.710 -0.339 0.000) 5.720 26.326 ( -1.148 2.298 0.000) 2.569 26.388 ( -0.826 -3.957 0.000) 4.042 26.595 ( -1.387 0.334 0.000) 1.427 26.625 ( -1.407 -2.615 0.000) 2.970 27.082 ( 2.002 7.832 0.000) 8.084 27.208 ( 2.902 -4.660 0.000) 5.490 27.607 ( -0.293 10.776 0.000) 10.780 27.852 ( 2.075 -14.071 0.000) 14.223 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 13.831 0.000) 13.831 1.673 ( 0.000 -12.776 0.000) 12.776 1.798 ( -0.000 5.260 0.000) 5.260 1.822 ( 0.000 2.121 0.000) 2.121 1.926 ( 0.000 3.068 0.000) 3.068 1.980 ( -0.000 -1.517 0.000) 1.517 2.268 ( 0.000 5.282 0.000) 5.282 2.296 ( 0.000 2.906 0.000) 2.906 2.411 ( -0.000 7.008 0.000) 7.008 2.506 ( -0.000 14.195 0.000) 14.195 2.565 ( 0.000 -7.572 0.000) 7.572 2.604 ( 0.000 3.990 0.000) 3.990 2.803 ( 0.000 7.510 0.000) 7.510 3.067 ( 0.000 -17.023 0.000) 17.023 3.091 ( 0.000 -5.043 0.000) 5.043 3.133 ( -0.000 -8.017 0.000) 8.017 3.382 ( 0.000 5.318 0.000) 5.318 3.420 ( 0.000 1.110 0.000) 1.110 3.527 ( 0.000 3.665 0.000) 3.665 3.598 ( -0.000 -3.556 0.000) 3.556 3.683 ( 0.000 3.130 0.000) 3.130 3.792 ( 0.000 -7.793 0.000) 7.793 4.081 ( 0.000 0.210 0.000) 0.210 4.088 ( -0.000 -0.794 0.000) 0.794 4.246 ( 0.000 3.401 0.000) 3.401 4.252 ( -0.000 0.935 0.000) 0.935 4.274 ( 0.000 -1.199 0.000) 1.199 4.286 ( 0.000 0.614 0.000) 0.614 4.506 ( -0.000 0.170 0.000) 0.170 4.514 ( 0.000 -0.955 0.000) 0.955 4.855 ( -0.000 1.526 0.000) 1.526 4.893 ( 0.000 -0.981 0.000) 0.981 5.281 ( -0.000 5.562 0.000) 5.562 5.377 ( 0.000 -4.406 0.000) 4.406 5.724 ( -0.000 2.228 0.000) 2.228 5.750 ( 0.000 -0.804 0.000) 0.804 6.104 ( -0.000 5.036 0.000) 5.036 6.172 ( 0.000 -1.187 0.000) 1.187 6.369 ( -0.000 3.875 0.000) 3.875 6.418 ( 0.000 -0.838 0.000) 0.838 7.000 ( 0.000 11.980 0.000) 11.980 7.160 ( 0.000 -1.713 0.000) 1.713 7.168 ( 0.000 2.255 0.000) 2.255 7.178 ( 0.000 -2.268 0.000) 2.268 7.207 ( 0.000 -2.133 0.000) 2.133 7.216 ( -0.000 -7.740 0.000) 7.740 7.366 ( -0.000 -0.090 0.000) 0.090 7.376 ( 0.000 -1.880 0.000) 1.880 7.616 ( 0.000 0.642 0.000) 0.642 7.670 ( -0.000 -5.440 0.000) 5.440 7.822 ( 0.000 -1.790 0.000) 1.790 7.910 ( 0.000 -8.908 0.000) 8.908 8.634 ( 0.000 9.499 0.000) 9.499 8.763 ( 0.000 13.994 0.000) 13.994 8.838 ( 0.000 -0.860 0.000) 0.860 8.945 ( 0.000 14.926 0.000) 14.926 9.082 ( 0.000 3.027 0.000) 3.027 9.233 ( 0.000 -23.588 0.000) 23.588 9.482 ( -0.000 -5.416 0.000) 5.416 9.554 ( 0.000 -14.803 0.000) 14.803 9.875 ( 0.000 4.189 0.000) 4.189 9.962 ( 0.000 -4.409 0.000) 4.409 10.247 ( 0.000 0.885 0.000) 0.885 10.267 ( -0.000 -1.219 0.000) 1.219 12.261 ( 0.000 9.379 0.000) 9.379 12.432 ( 0.000 -7.733 0.000) 7.733 12.490 ( 0.000 13.127 0.000) 13.127 12.753 ( 0.000 -13.277 0.000) 13.277 12.862 ( 0.000 13.015 0.000) 13.015 13.091 ( 0.000 -10.205 0.000) 10.205 13.780 ( 0.000 13.826 0.000) 13.826 14.035 ( 0.000 -11.937 0.000) 11.937 14.891 ( 0.000 3.190 0.000) 3.190 14.964 ( -0.000 -4.003 0.000) 4.003 15.768 ( -0.000 14.742 0.000) 14.742 15.833 ( 0.000 8.116 0.000) 8.116 15.971 ( 0.000 -4.304 0.000) 4.304 16.004 ( 0.000 -9.064 0.000) 9.064 16.303 ( -0.000 -3.942 0.000) 3.942 16.314 ( 0.000 -3.833 0.000) 3.833 23.950 ( -0.000 2.073 0.000) 2.073 23.999 ( 0.000 -2.783 0.000) 2.783 24.150 ( 0.000 1.187 0.000) 1.187 24.180 ( -0.000 -1.866 0.000) 1.866 24.379 ( 0.000 4.367 0.000) 4.367 24.447 ( 0.000 -2.566 0.000) 2.566 24.963 ( 0.000 1.481 0.000) 1.481 24.972 ( -0.000 0.949 0.000) 0.949 26.315 ( 0.000 2.470 0.000) 2.470 26.379 ( 0.000 -4.098 0.000) 4.098 26.581 ( 0.000 0.493 0.000) 0.493 26.610 ( 0.000 -2.419 0.000) 2.419 27.103 ( -0.000 8.269 0.000) 8.269 27.238 ( 0.000 -5.151 0.000) 5.151 27.603 ( 0.000 12.081 0.000) 12.081 27.873 ( 0.000 -15.242 0.000) 15.242 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.000 0.000 27.761) 27.761 0.639 ( 0.000 0.000 27.222) 27.222 1.168 ( 0.000 0.000 37.619) 37.619 1.401 ( 0.000 0.000 1.471) 1.471 1.492 ( 0.000 0.000 1.140) 1.140 1.677 ( 0.000 0.000 -11.237) 11.237 1.690 ( 0.000 0.000 5.939) 5.939 1.726 ( 0.000 0.000 0.811) 0.811 1.979 ( 0.000 0.000 -9.398) 9.398 2.606 ( 0.000 0.000 3.993) 3.993 2.692 ( 0.000 0.000 0.092) 0.092 2.757 ( 0.000 0.000 -11.791) 11.791 2.839 ( 0.000 0.000 -2.413) 2.413 2.843 ( 0.000 0.000 -5.166) 5.166 3.070 ( 0.000 0.000 5.785) 5.785 3.171 ( 0.000 0.000 -6.883) 6.883 3.181 ( 0.000 0.000 2.306) 2.306 3.275 ( 0.000 0.000 -0.934) 0.934 3.423 ( 0.000 0.000 4.937) 4.937 3.429 ( 0.000 0.000 0.725) 0.725 3.538 ( 0.000 0.000 2.387) 2.387 3.561 ( 0.000 0.000 -10.407) 10.407 3.678 ( 0.000 0.000 -4.051) 4.051 3.904 ( 0.000 0.000 6.192) 6.192 4.017 ( 0.000 0.000 10.759) 10.759 4.080 ( 0.000 0.000 1.760) 1.760 4.097 ( 0.000 0.000 -11.843) 11.843 4.133 ( 0.000 0.000 5.732) 5.732 4.145 ( 0.000 0.000 3.434) 3.434 4.305 ( 0.000 0.000 -7.684) 7.684 4.366 ( 0.000 0.000 6.089) 6.089 4.550 ( 0.000 0.000 2.658) 2.658 4.575 ( 0.000 0.000 3.139) 3.139 5.034 ( 0.000 0.000 5.018) 5.018 5.245 ( 0.000 0.000 -21.072) 21.072 5.308 ( 0.000 0.000 -6.613) 6.613 5.751 ( 0.000 0.000 4.574) 4.574 6.001 ( 0.000 0.000 -3.525) 3.525 6.047 ( 0.000 0.000 5.631) 5.631 6.256 ( 0.000 0.000 -2.497) 2.497 6.544 ( 0.000 0.000 4.702) 4.702 6.887 ( 0.000 0.000 -7.743) 7.743 7.054 ( 0.000 0.000 1.404) 1.404 7.176 ( 0.000 0.000 -2.291) 2.291 7.351 ( 0.000 0.000 1.728) 1.728 7.411 ( 0.000 0.000 0.136) 0.136 7.631 ( 0.000 0.000 4.090) 4.090 7.640 ( 0.000 0.000 1.950) 1.950 7.809 ( 0.000 0.000 1.227) 1.227 7.916 ( 0.000 0.000 -3.378) 3.378 8.098 ( 0.000 0.000 3.232) 3.232 8.203 ( 0.000 0.000 -1.680) 1.680 8.652 ( 0.000 0.000 -0.452) 0.452 8.682 ( 0.000 0.000 -1.086) 1.086 8.759 ( 0.000 0.000 3.453) 3.453 8.775 ( 0.000 0.000 6.071) 6.071 8.957 ( 0.000 0.000 -3.340) 3.340 9.187 ( 0.000 0.000 -8.658) 8.658 10.064 ( 0.000 0.000 -0.375) 0.375 10.102 ( 0.000 0.000 -1.414) 1.414 10.143 ( 0.000 0.000 2.417) 2.417 10.213 ( 0.000 0.000 -0.343) 0.343 10.536 ( 0.000 0.000 10.342) 10.342 10.989 ( 0.000 0.000 -6.217) 6.217 12.498 ( 0.000 0.000 -0.146) 0.146 12.504 ( 0.000 0.000 -0.323) 0.323 12.835 ( 0.000 0.000 3.038) 3.038 13.003 ( 0.000 0.000 -2.823) 2.823 13.018 ( 0.000 0.000 7.646) 7.646 13.446 ( 0.000 0.000 -7.384) 7.384 14.281 ( 0.000 0.000 6.773) 6.773 14.647 ( 0.000 0.000 2.553) 2.553 14.797 ( 0.000 0.000 -2.816) 2.816 14.818 ( 0.000 0.000 -14.320) 14.320 15.514 ( 0.000 0.000 -0.963) 0.963 15.520 ( 0.000 0.000 -0.977) 0.977 15.612 ( 0.000 0.000 1.588) 1.588 15.633 ( 0.000 0.000 0.697) 0.697 15.867 ( 0.000 0.000 14.296) 14.296 16.414 ( 0.000 0.000 -7.278) 7.278 23.937 ( 0.000 0.000 2.903) 2.903 24.102 ( 0.000 0.000 0.084) 0.084 24.111 ( 0.000 0.000 -3.401) 3.401 24.139 ( 0.000 0.000 -1.400) 1.400 24.577 ( 0.000 0.000 6.587) 6.587 24.643 ( 0.000 0.000 2.760) 2.760 24.763 ( 0.000 0.000 -1.613) 1.613 24.939 ( 0.000 0.000 -6.316) 6.316 26.559 ( 0.000 0.000 3.888) 3.888 26.718 ( 0.000 0.000 0.657) 0.657 26.761 ( 0.000 0.000 -1.002) 1.002 26.801 ( 0.000 0.000 -4.845) 4.845 26.832 ( 0.000 0.000 2.696) 2.696 26.957 ( 0.000 0.000 -1.887) 1.887 27.587 ( 0.000 0.000 5.343) 5.343 27.852 ( 0.000 0.000 -4.201) 4.201 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 14.624 0.000 20.116) 24.870 0.913 ( 13.568 0.000 17.373) 22.044 1.324 ( -6.644 0.000 0.102) 6.645 1.331 ( -0.399 0.000 9.274) 9.282 1.492 ( 17.584 0.000 23.565) 29.403 1.664 ( 0.559 0.000 -1.022) 1.165 1.776 ( 7.428 0.000 -6.226) 9.692 1.854 ( 12.983 0.000 10.916) 16.962 1.912 ( -6.155 0.000 -4.477) 7.611 2.629 ( 1.514 0.000 -3.349) 3.676 2.725 ( 3.823 0.000 -3.208) 4.991 2.747 ( -1.925 0.000 -7.087) 7.344 2.865 ( 0.088 0.000 -6.084) 6.085 2.971 ( 7.699 0.000 0.178) 7.701 3.081 ( 10.019 0.000 0.773) 10.049 3.193 ( -2.009 0.000 -1.049) 2.267 3.282 ( 3.806 0.000 -4.485) 5.882 3.298 ( 6.153 0.000 -2.942) 6.820 3.420 ( -0.450 0.000 6.314) 6.330 3.457 ( 2.897 0.000 2.695) 3.957 3.492 ( 1.764 0.000 0.345) 1.797 3.646 ( 8.412 0.000 -5.747) 10.188 3.805 ( -1.758 0.000 6.147) 6.393 3.936 ( 2.614 0.000 4.055) 4.824 3.993 ( 0.467 0.000 7.759) 7.773 4.034 ( -1.268 0.000 8.790) 8.881 4.065 ( -1.073 0.000 1.610) 1.935 4.158 ( 7.439 0.000 -3.636) 8.280 4.229 ( 9.511 0.000 4.097) 10.356 4.238 ( 8.691 0.000 -2.356) 9.004 4.507 ( 3.450 0.000 1.284) 3.681 4.551 ( -0.003 0.000 2.254) 2.254 4.701 ( 9.116 0.000 -9.698) 13.310 5.010 ( -2.340 0.000 1.250) 2.653 5.204 ( -0.988 0.000 -16.257) 16.287 5.309 ( 0.316 0.000 -7.482) 7.488 5.681 ( -4.208 0.000 7.065) 8.224 5.979 ( -1.775 0.000 -4.122) 4.487 6.045 ( -0.482 0.000 5.853) 5.873 6.259 ( 0.290 0.000 -2.582) 2.598 6.563 ( 1.653 0.000 4.761) 5.040 6.906 ( 1.672 0.000 -7.601) 7.783 7.077 ( 2.088 0.000 1.512) 2.578 7.186 ( 0.709 0.000 -1.880) 2.009 7.364 ( 1.310 0.000 1.193) 1.772 7.413 ( 0.309 0.000 -0.276) 0.415 7.512 ( -8.477 0.000 3.743) 9.266 7.539 ( -5.622 0.000 0.420) 5.637 7.837 ( 0.814 0.000 11.052) 11.082 7.983 ( 11.614 0.000 3.265) 12.064 8.067 ( 0.239 0.000 1.919) 1.933 8.197 ( -0.577 0.000 -2.188) 2.263 8.636 ( -1.960 0.000 -0.733) 2.092 8.659 ( -2.924 0.000 -0.632) 2.992 8.773 ( 1.607 0.000 6.423) 6.621 8.788 ( 1.398 0.000 5.987) 6.148 9.196 ( 1.051 0.000 -8.392) 8.458 9.442 ( 18.081 0.000 -27.628) 33.019 10.048 ( -0.797 0.000 -0.107) 0.804 10.083 ( -1.825 0.000 -0.841) 2.009 10.177 ( 3.037 0.000 1.394) 3.341 10.241 ( 2.367 0.000 -0.675) 2.461 10.470 ( -6.439 0.000 9.301) 11.313 10.891 ( -9.532 0.000 -6.425) 11.495 12.245 ( -15.005 0.000 10.390) 18.251 12.417 ( -6.823 0.000 -1.265) 6.939 12.860 ( -13.004 0.000 6.619) 14.591 12.869 ( -0.637 0.000 5.764) 5.799 13.067 ( 4.273 0.000 -2.445) 4.923 13.295 ( -8.353 0.000 -10.861) 13.702 14.084 ( -15.898 0.000 6.895) 17.329 14.617 ( -14.538 0.000 -13.549) 19.873 14.764 ( 10.173 0.000 4.438) 11.099 14.952 ( 6.197 0.000 2.296) 6.609 15.506 ( -6.443 0.000 -0.585) 6.470 15.531 ( 0.072 0.000 -4.518) 4.519 15.748 ( 15.932 0.000 1.355) 15.990 15.835 ( 15.982 0.000 -2.515) 16.178 15.900 ( 3.739 0.000 12.444) 12.994 16.426 ( 0.941 0.000 -7.159) 7.220 23.937 ( -0.032 0.000 2.747) 2.747 24.095 ( -1.143 0.000 -2.899) 3.117 24.105 ( 0.364 0.000 0.257) 0.445 24.153 ( 1.083 0.000 -1.449) 1.809 24.455 ( -9.355 0.000 12.402) 15.535 24.582 ( -0.424 0.000 7.065) 7.078 24.733 ( -2.406 0.000 -2.528) 3.490 24.945 ( 0.067 0.000 -6.133) 6.133 26.465 ( -5.987 0.000 2.463) 6.474 26.601 ( -6.138 0.000 -2.522) 6.636 26.709 ( -1.159 0.000 0.858) 1.442 26.766 ( -0.604 0.000 -1.154) 1.303 26.967 ( 10.730 0.000 5.130) 11.893 27.011 ( -1.525 0.000 9.352) 9.476 27.752 ( -9.181 0.000 -3.290) 9.753 27.947 ( 19.331 0.000 -22.541) 29.694 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.571 0.000 2.937) 2.992 1.049 ( -1.015 0.000 2.905) 3.078 1.254 ( 9.696 0.000 9.469) 13.553 1.385 ( 9.880 0.000 23.064) 25.091 1.709 ( 4.350 0.000 -4.088) 5.970 1.779 ( 7.885 0.000 3.230) 8.521 1.792 ( -3.580 0.000 0.392) 3.602 1.935 ( 7.345 0.000 -1.633) 7.524 2.223 ( 15.292 0.000 9.582) 18.046 2.510 ( -9.188 0.000 1.784) 9.359 2.767 ( -0.979 0.000 -12.959) 12.996 2.788 ( -3.099 0.000 -11.021) 11.448 2.894 ( 8.156 0.000 5.441) 9.804 3.065 ( 2.807 0.000 0.570) 2.864 3.072 ( -7.189 0.000 8.727) 11.306 3.272 ( 2.672 0.000 -0.995) 2.851 3.336 ( 1.190 0.000 -6.352) 6.463 3.475 ( 3.297 0.000 5.434) 6.355 3.505 ( 4.445 0.000 3.377) 5.582 3.572 ( 15.717 0.000 -10.135) 18.702 3.623 ( 9.659 0.000 4.805) 10.788 3.742 ( 4.432 0.000 6.091) 7.533 3.824 ( 7.120 0.000 -1.850) 7.357 3.991 ( -2.106 0.000 5.872) 6.238 4.039 ( -1.265 0.000 1.347) 1.847 4.075 ( 14.097 0.000 -0.743) 14.117 4.091 ( 3.894 0.000 -0.079) 3.895 4.327 ( 6.148 0.000 -3.484) 7.067 4.396 ( 4.025 0.000 -0.653) 4.077 4.508 ( 12.504 0.000 3.320) 12.937 4.560 ( 1.860 0.000 9.181) 9.368 4.597 ( 8.594 0.000 0.859) 8.637 4.949 ( 16.161 0.000 -11.677) 19.938 4.984 ( 0.085 0.000 -0.154) 0.176 5.320 ( 13.806 0.000 -11.640) 18.058 5.367 ( 7.208 0.000 -9.878) 12.228 5.629 ( -0.544 0.000 6.807) 6.829 5.948 ( -1.057 0.000 -4.683) 4.801 6.031 ( -0.719 0.000 6.395) 6.435 6.267 ( 0.437 0.000 -2.862) 2.896 6.597 ( 1.515 0.000 4.974) 5.199 6.943 ( 1.793 0.000 -7.331) 7.547 7.123 ( 2.161 0.000 1.264) 2.504 7.188 ( -0.565 0.000 -0.776) 0.960 7.387 ( -2.774 0.000 1.687) 3.247 7.413 ( 1.750 0.000 1.775) 2.493 7.426 ( -0.924 0.000 -0.376) 0.998 7.436 ( -2.593 0.000 -1.040) 2.794 7.895 ( 3.453 0.000 9.954) 10.536 8.087 ( 1.608 0.000 1.986) 2.556 8.165 ( 5.500 0.000 3.536) 6.539 8.180 ( -0.941 0.000 -2.891) 3.041 8.578 ( -3.625 0.000 -1.441) 3.900 8.581 ( -4.468 0.000 -0.861) 4.550 8.796 ( -0.364 0.000 7.721) 7.729 8.823 ( 1.872 0.000 6.098) 6.379 9.230 ( 2.138 0.000 -8.005) 8.285 9.452 ( -12.994 0.000 -16.242) 20.801 10.039 ( -2.482 0.000 1.342) 2.822 10.065 ( 2.060 0.000 -2.143) 2.972 10.235 ( 2.315 0.000 1.695) 2.869 10.252 ( -5.700 0.000 1.707) 5.950 10.333 ( -2.273 0.000 3.972) 4.577 10.637 ( -14.585 0.000 -5.344) 15.533 12.054 ( -4.767 0.000 6.946) 8.424 12.273 ( -6.895 0.000 -3.082) 7.552 12.578 ( -13.273 0.000 7.977) 15.486 12.814 ( -3.630 0.000 5.954) 6.973 13.143 ( 2.752 0.000 -3.921) 4.791 13.150 ( -7.169 0.000 -11.972) 13.954 13.773 ( -13.562 0.000 7.748) 15.619 14.360 ( -10.080 0.000 -14.526) 17.681 14.968 ( -2.422 0.000 8.629) 8.963 14.982 ( 10.218 0.000 6.654) 12.193 15.336 ( -9.202 0.000 -0.328) 9.208 15.595 ( 4.840 0.000 -7.458) 8.891 15.900 ( 0.439 0.000 11.174) 11.183 16.077 ( 15.062 0.000 1.521) 15.139 16.193 ( 14.747 0.000 -2.173) 14.907 16.441 ( 0.464 0.000 -7.200) 7.215 23.936 ( -0.030 0.000 2.370) 2.370 24.078 ( -0.367 0.000 -2.946) 2.969 24.115 ( 0.551 0.000 0.780) 0.955 24.177 ( 1.150 0.000 -0.398) 1.217 24.339 ( -3.221 0.000 9.573) 10.101 24.574 ( -0.380 0.000 6.367) 6.379 24.690 ( -1.538 0.000 -3.875) 4.169 24.925 ( -2.161 0.000 -6.140) 6.509 26.368 ( -3.694 0.000 2.222) 4.310 26.536 ( -1.613 0.000 -5.189) 5.434 26.676 ( -2.001 0.000 0.878) 2.185 26.745 ( -1.246 0.000 -1.298) 1.799 26.956 ( -3.013 0.000 10.796) 11.209 27.174 ( 8.622 0.000 5.195) 10.066 27.542 ( -10.045 0.000 0.950) 10.090 28.215 ( 9.021 0.000 -21.638) 23.443 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -6.406 0.000 2.149) 6.757 0.992 ( -2.069 0.000 2.941) 3.595 1.549 ( 12.665 0.000 6.744) 14.349 1.614 ( 10.047 0.000 14.046) 17.269 1.774 ( 1.872 0.000 4.446) 4.824 1.802 ( 4.212 0.000 -3.037) 5.193 1.917 ( 7.511 0.000 3.690) 8.369 2.082 ( 7.636 0.000 -2.286) 7.970 2.343 ( -1.281 0.000 0.347) 1.328 2.351 ( -5.882 0.000 2.861) 6.541 2.639 ( -10.811 0.000 -4.918) 11.877 2.663 ( -7.747 0.000 3.799) 8.629 2.923 ( -2.144 0.000 0.232) 2.156 3.095 ( 4.207 0.000 5.044) 6.569 3.128 ( 3.357 0.000 -3.001) 4.502 3.297 ( 1.309 0.000 -3.306) 3.556 3.376 ( 2.723 0.000 -7.354) 7.842 3.439 ( -4.033 0.000 0.892) 4.131 3.526 ( -1.175 0.000 6.389) 6.496 3.711 ( 3.910 0.000 2.979) 4.915 3.819 ( 7.469 0.000 -7.606) 10.660 3.899 ( 0.776 0.000 -2.156) 2.291 3.918 ( -2.887 0.000 2.977) 4.147 4.025 ( -0.432 0.000 0.172) 0.465 4.066 ( 12.936 0.000 3.401) 13.376 4.191 ( 9.556 0.000 1.370) 9.654 4.256 ( -0.891 0.000 -6.295) 6.358 4.446 ( 2.682 0.000 6.131) 6.692 4.580 ( 19.515 0.000 -6.675) 20.625 4.582 ( 0.350 0.000 11.889) 11.894 4.613 ( -1.567 0.000 5.387) 5.610 4.850 ( 12.607 0.000 1.948) 12.757 4.988 ( 1.269 0.000 2.105) 2.458 5.285 ( 16.386 0.000 -10.672) 19.555 5.535 ( 5.076 0.000 -4.580) 6.837 5.645 ( 13.069 0.000 -13.475) 18.772 5.702 ( 7.132 0.000 -0.947) 7.195 5.951 ( 1.937 0.000 -4.003) 4.447 6.025 ( 0.247 0.000 6.785) 6.789 6.276 ( 0.455 0.000 -3.108) 3.141 6.620 ( 0.800 0.000 5.313) 5.373 6.972 ( 1.041 0.000 -7.106) 7.182 7.166 ( 2.897 0.000 0.291) 2.912 7.185 ( 1.332 0.000 -0.259) 1.357 7.324 ( -3.109 0.000 0.837) 3.219 7.342 ( -4.155 0.000 -1.373) 4.376 7.476 ( 3.150 0.000 2.151) 3.815 7.486 ( 4.549 0.000 2.655) 5.267 7.943 ( 1.029 0.000 5.347) 5.445 8.133 ( 2.965 0.000 6.608) 7.243 8.152 ( -1.629 0.000 -3.573) 3.927 8.214 ( 0.144 0.000 6.190) 6.192 8.465 ( -8.521 0.000 2.253) 8.814 8.501 ( -3.108 0.000 -0.915) 3.240 8.781 ( 0.530 0.000 -2.934) 2.982 8.846 ( -0.611 0.000 4.258) 4.302 9.090 ( -18.791 0.000 -8.561) 20.649 9.267 ( 1.145 0.000 -7.234) 7.324 9.964 ( -5.609 0.000 6.539) 8.615 10.100 ( 1.217 0.000 -2.992) 3.230 10.112 ( -3.867 0.000 -0.652) 3.921 10.264 ( -0.025 0.000 0.911) 0.912 10.345 ( 0.910 0.000 1.696) 1.925 10.376 ( -9.380 0.000 -2.177) 9.630 12.010 ( -0.563 0.000 3.047) 3.098 12.159 ( -4.193 0.000 -2.979) 5.143 12.378 ( -6.419 0.000 9.305) 11.304 12.760 ( -1.309 0.000 5.442) 5.597 13.004 ( -6.821 0.000 -10.486) 12.509 13.171 ( 0.238 0.000 -5.942) 5.947 13.572 ( -6.439 0.000 8.742) 10.858 14.223 ( -3.966 0.000 -15.988) 16.472 14.916 ( -2.139 0.000 6.467) 6.812 15.115 ( 0.146 0.000 0.845) 0.858 15.203 ( -0.753 0.000 7.201) 7.240 15.672 ( 2.418 0.000 -1.541) 2.868 15.912 ( 0.768 0.000 7.302) 7.342 16.312 ( 8.112 0.000 1.539) 8.257 16.419 ( 7.656 0.000 -1.939) 7.897 16.444 ( -0.094 0.000 -7.426) 7.427 23.936 ( -0.014 0.000 1.992) 1.992 24.078 ( 0.234 0.000 -3.465) 3.473 24.125 ( 0.392 0.000 1.403) 1.457 24.196 ( 0.741 0.000 0.964) 1.216 24.297 ( -1.286 0.000 6.280) 6.410 24.568 ( -0.270 0.000 5.719) 5.725 24.679 ( 0.402 0.000 -5.390) 5.405 24.866 ( -3.333 0.000 -5.395) 6.342 26.315 ( -1.630 0.000 2.541) 3.019 26.515 ( -0.704 0.000 -6.141) 6.181 26.637 ( -1.592 0.000 1.321) 2.069 26.722 ( -0.966 0.000 -1.539) 1.817 26.909 ( -1.592 0.000 9.485) 9.618 27.247 ( -1.838 0.000 -3.397) 3.862 27.438 ( 0.486 0.000 12.838) 12.848 28.342 ( 4.045 0.000 -18.853) 19.282 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 0.000 0.000 3.591) 3.591 0.970 ( 0.000 0.000 3.439) 3.439 1.666 ( 0.000 0.000 3.783) 3.783 1.716 ( 0.000 0.000 10.059) 10.059 1.820 ( 0.000 0.000 6.019) 6.019 1.845 ( 0.000 0.000 -2.794) 2.794 2.056 ( -0.000 0.000 3.671) 3.671 2.213 ( -0.000 0.000 -0.400) 0.400 2.267 ( 0.000 0.000 -2.955) 2.955 2.295 ( 0.000 0.000 -4.025) 4.025 2.456 ( 0.000 0.000 3.842) 3.842 2.574 ( 0.000 0.000 14.134) 14.134 2.907 ( 0.000 0.000 -2.946) 2.946 3.129 ( 0.000 0.000 1.077) 1.077 3.168 ( 0.000 0.000 -2.843) 2.843 3.342 ( -0.000 0.000 -3.128) 3.128 3.360 ( 0.000 0.000 -3.293) 3.293 3.411 ( 0.000 0.000 -12.096) 12.096 3.507 ( 0.000 0.000 10.451) 10.451 3.770 ( 0.000 0.000 1.274) 1.274 3.866 ( 0.000 0.000 3.871) 3.871 3.893 ( -0.000 0.000 -2.943) 2.943 3.905 ( 0.000 0.000 -5.872) 5.872 4.011 ( 0.000 0.000 -1.135) 1.135 4.151 ( 0.000 0.000 -0.081) 0.081 4.239 ( 0.000 0.000 -5.994) 5.994 4.442 ( 0.000 0.000 5.092) 5.092 4.471 ( 0.000 0.000 7.998) 7.998 4.491 ( -0.000 0.000 5.437) 5.437 4.589 ( 0.000 0.000 13.741) 13.741 4.810 ( 0.000 0.000 -6.210) 6.210 4.907 ( -0.000 0.000 -5.373) 5.373 5.098 ( 0.000 0.000 9.167) 9.167 5.475 ( 0.000 0.000 -5.491) 5.491 5.622 ( 0.000 0.000 -10.919) 10.919 5.746 ( 0.000 0.000 0.101) 0.101 5.752 ( 0.000 0.000 -14.977) 14.977 5.992 ( 0.000 0.000 -4.506) 4.506 6.028 ( 0.000 0.000 6.879) 6.879 6.281 ( 0.000 0.000 -3.198) 3.198 6.628 ( 0.000 0.000 5.529) 5.529 6.982 ( 0.000 0.000 -6.994) 6.994 7.249 ( -0.000 0.000 0.085) 0.085 7.250 ( 0.000 0.000 -2.749) 2.749 7.254 ( 0.000 0.000 -1.454) 1.454 7.255 ( -0.000 0.000 0.245) 0.245 7.526 ( 0.000 0.000 5.682) 5.682 7.553 ( 0.000 0.000 5.184) 5.184 7.946 ( 0.000 0.000 2.549) 2.549 8.122 ( 0.000 0.000 -2.781) 2.781 8.179 ( 0.000 0.000 10.813) 10.813 8.214 ( 0.000 0.000 7.568) 7.568 8.339 ( 0.000 0.000 1.506) 1.506 8.469 ( 0.000 0.000 -0.661) 0.661 8.760 ( 0.000 0.000 -8.886) 8.886 8.800 ( 0.000 0.000 -8.295) 8.295 8.927 ( 0.000 0.000 4.039) 4.039 9.276 ( 0.000 0.000 -6.550) 6.550 9.889 ( 0.000 0.000 7.230) 7.230 10.085 ( 0.000 0.000 -1.366) 1.366 10.113 ( 0.000 0.000 -3.142) 3.142 10.225 ( 0.000 0.000 -4.906) 4.906 10.315 ( 0.000 0.000 4.238) 4.238 10.354 ( 0.000 0.000 2.183) 2.183 12.007 ( 0.000 0.000 1.994) 1.994 12.116 ( 0.000 0.000 -1.866) 1.866 12.317 ( 0.000 0.000 9.176) 9.176 12.755 ( 0.000 0.000 8.054) 8.054 12.922 ( 0.000 0.000 -12.630) 12.630 13.169 ( 0.000 0.000 -7.069) 7.069 13.510 ( 0.000 0.000 9.208) 9.208 14.186 ( 0.000 0.000 -16.537) 16.537 14.894 ( 0.000 0.000 5.227) 5.227 15.079 ( 0.000 0.000 -1.963) 1.963 15.230 ( 0.000 0.000 10.705) 10.705 15.694 ( 0.000 0.000 1.790) 1.790 15.922 ( 0.000 0.000 4.887) 4.887 16.394 ( 0.000 0.000 1.708) 1.708 16.442 ( 0.000 0.000 -7.732) 7.732 16.495 ( 0.000 0.000 -1.855) 1.855 23.936 ( 0.000 0.000 1.834) 1.834 24.082 ( 0.000 0.000 -3.784) 3.784 24.129 ( 0.000 0.000 1.676) 1.676 24.204 ( 0.000 0.000 1.597) 1.597 24.284 ( 0.000 0.000 5.183) 5.183 24.565 ( 0.000 0.000 5.433) 5.433 24.690 ( 0.000 0.000 -6.743) 6.743 24.823 ( 0.000 0.000 -4.178) 4.178 26.300 ( 0.000 0.000 2.694) 2.694 26.507 ( 0.000 0.000 -6.295) 6.295 26.621 ( 0.000 0.000 1.526) 1.526 26.712 ( 0.000 0.000 -1.660) 1.660 26.893 ( 0.000 0.000 8.796) 8.796 27.211 ( 0.000 0.000 -4.023) 4.023 27.459 ( 0.000 0.000 14.655) 14.655 28.382 ( 0.000 0.000 -18.011) 18.011 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 16.914 20.873) 26.866 0.932 ( 0.000 19.171 21.541) 28.836 1.276 ( 0.000 13.906 10.608) 17.490 1.496 ( 0.000 16.219 6.680) 17.541 1.682 ( 0.000 -0.701 3.627) 3.694 1.726 ( 0.000 3.993 -7.455) 8.457 1.806 ( 0.000 15.647 -5.531) 16.596 1.880 ( 0.000 16.305 8.044) 18.181 1.974 ( 0.000 0.283 -12.620) 12.624 2.613 ( 0.000 0.528 3.790) 3.827 2.618 ( 0.000 -2.469 -4.708) 5.316 2.759 ( 0.000 -2.174 -2.721) 3.482 2.822 ( 0.000 -2.778 0.070) 2.779 2.835 ( 0.000 -0.900 -5.089) 5.168 3.026 ( 0.000 -4.085 5.946) 7.213 3.129 ( 0.000 -2.968 -4.060) 5.029 3.155 ( 0.000 -3.950 -1.909) 4.387 3.245 ( 0.000 -2.896 4.144) 5.056 3.306 ( 0.000 -8.360 0.077) 8.361 3.475 ( 0.000 0.869 1.169) 1.456 3.561 ( 0.000 2.669 2.550) 3.691 3.587 ( 0.000 3.072 -8.495) 9.033 3.720 ( 0.000 1.671 -4.131) 4.456 3.799 ( 0.000 -11.327 14.189) 18.156 3.926 ( 0.000 1.665 5.175) 5.436 4.004 ( 0.000 -7.492 -8.956) 11.676 4.036 ( 0.000 -0.441 3.059) 3.091 4.086 ( 0.000 -2.167 8.136) 8.419 4.230 ( 0.000 4.223 5.206) 6.704 4.294 ( 0.000 -0.196 5.068) 5.072 4.328 ( 0.000 -0.020 -5.950) 5.950 4.530 ( 0.000 -1.445 1.828) 2.330 4.592 ( 0.000 1.786 0.200) 1.797 5.037 ( 0.000 0.037 5.256) 5.256 5.187 ( 0.000 -4.123 -19.398) 19.831 5.238 ( 0.000 -7.167 -3.809) 8.116 5.854 ( 0.000 11.568 10.413) 15.564 6.066 ( 0.000 2.123 4.719) 5.175 6.285 ( 0.000 3.030 -3.314) 4.490 6.523 ( 0.000 26.572 -23.268) 35.319 6.571 ( 0.000 2.757 4.819) 5.552 6.925 ( 0.000 3.383 -7.908) 8.601 7.049 ( 0.000 -0.599 1.177) 1.321 7.176 ( 0.000 -0.008 -2.537) 2.537 7.345 ( 0.000 -0.239 1.392) 1.412 7.389 ( 0.000 -1.881 0.437) 1.931 7.577 ( 0.000 -3.627 4.571) 5.836 7.679 ( 0.000 1.898 0.645) 2.004 7.791 ( 0.000 -1.505 1.506) 2.129 7.908 ( 0.000 -1.136 -3.133) 3.333 8.171 ( 0.000 7.529 2.733) 8.010 8.278 ( 0.000 7.328 -2.023) 7.602 8.363 ( 0.000 -21.338 11.016) 24.013 8.577 ( 0.000 -16.163 1.077) 16.198 8.675 ( 0.000 -3.828 1.282) 4.037 8.792 ( 0.000 1.521 6.310) 6.491 8.901 ( 0.000 -0.584 -10.045) 10.062 9.218 ( 0.000 2.877 -8.951) 9.402 9.966 ( 0.000 -11.893 3.002) 12.266 10.059 ( 0.000 -6.318 -0.803) 6.369 10.207 ( 0.000 5.331 1.475) 5.531 10.243 ( 0.000 4.575 0.079) 4.576 10.508 ( 0.000 -2.739 10.166) 10.529 10.941 ( 0.000 -4.633 -5.844) 7.457 12.224 ( 0.000 -4.857 13.350) 14.206 12.745 ( 0.000 5.295 -14.270) 15.221 12.815 ( 0.000 -2.120 3.311) 3.932 13.000 ( 0.000 -0.312 -3.182) 3.197 13.169 ( 0.000 11.115 6.816) 13.039 13.578 ( 0.000 12.683 -8.149) 15.076 14.227 ( 0.000 -5.379 6.645) 8.549 14.622 ( 0.000 -2.691 -1.034) 2.883 14.808 ( 0.000 -0.908 -10.123) 10.163 14.831 ( 0.000 3.330 -2.698) 4.286 15.196 ( 0.000 -18.205 14.328) 23.167 15.451 ( 0.000 -5.566 -2.625) 6.153 15.585 ( 0.000 1.111 3.683) 3.847 15.772 ( 0.000 6.319 -3.830) 7.389 15.855 ( 0.000 -1.203 13.835) 13.887 16.398 ( 0.000 -1.730 -7.320) 7.521 23.936 ( 0.000 -0.047 2.692) 2.692 24.091 ( 0.000 -1.056 0.217) 1.078 24.097 ( 0.000 -1.289 -3.150) 3.404 24.114 ( 0.000 -1.425 -0.612) 1.550 24.478 ( 0.000 -1.325 15.392) 15.449 24.584 ( 0.000 0.622 7.046) 7.074 24.974 ( 0.000 3.460 -6.870) 7.692 25.170 ( 0.000 17.082 -22.489) 28.241 26.547 ( 0.000 -1.247 3.845) 4.042 26.632 ( 0.000 -5.349 1.331) 5.512 26.708 ( 0.000 -4.002 -1.499) 4.273 26.772 ( 0.000 -2.584 -4.142) 4.882 26.916 ( 0.000 6.020 3.074) 6.759 27.067 ( 0.000 8.652 -2.344) 8.964 27.258 ( 0.000 -15.417 22.444) 27.229 27.913 ( 0.000 -2.703 -11.775) 12.082 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 10.258 10.802 12.352) 19.352 1.048 ( 11.027 18.046 16.937) 27.095 1.329 ( -1.736 10.994 1.603) 11.245 1.532 ( 6.386 9.410 2.798) 11.712 1.686 ( 0.652 4.831 6.680) 8.269 1.744 ( -0.603 14.637 2.994) 14.953 1.810 ( 6.161 3.375 -3.706) 7.943 1.900 ( -2.883 3.536 -0.757) 4.624 2.045 ( 11.866 15.203 3.779) 19.653 2.603 ( -0.336 -2.959 -3.913) 4.918 2.637 ( 2.283 -1.130 -5.007) 5.618 2.753 ( 1.002 -3.008 2.260) 3.894 2.858 ( -0.428 -0.937 -6.835) 6.912 2.968 ( 9.406 -2.093 1.382) 9.735 3.076 ( 9.717 -1.329 3.340) 10.360 3.142 ( -1.144 -4.937 -0.673) 5.112 3.249 ( 9.040 -2.260 -1.913) 9.512 3.282 ( 2.320 -2.613 -4.613) 5.787 3.353 ( 5.206 -4.075 4.456) 7.972 3.481 ( 1.709 -1.178 0.904) 2.264 3.502 ( -2.475 2.729 2.694) 4.564 3.664 ( 5.505 1.221 -2.993) 6.384 3.769 ( -0.751 -2.348 8.043) 8.413 3.891 ( 9.153 -3.463 0.832) 9.821 3.968 ( 5.412 1.228 2.330) 6.019 4.004 ( 0.540 -4.688 1.143) 4.855 4.095 ( 2.825 0.510 0.216) 2.879 4.140 ( 2.496 -1.558 3.688) 4.718 4.180 ( 4.874 0.952 -0.427) 4.984 4.260 ( 4.344 2.871 4.269) 6.733 4.525 ( 10.060 -2.528 -0.677) 10.395 4.574 ( 3.213 2.496 -1.223) 4.249 4.635 ( 4.837 -2.133 -1.082) 5.396 5.008 ( -2.550 -0.899 -0.513) 2.752 5.185 ( 1.516 -1.505 -13.826) 13.990 5.247 ( 1.338 -6.178 -4.647) 7.846 5.779 ( -5.653 9.538 9.897) 14.862 6.062 ( -0.501 2.106 4.795) 5.261 6.283 ( -0.406 2.747 -3.467) 4.442 6.320 ( -13.658 22.002 -13.119) 29.030 6.600 ( 2.330 3.718 4.737) 6.457 6.950 ( 1.794 4.090 -7.843) 9.026 7.075 ( 2.631 -0.367 1.609) 3.106 7.199 ( 1.964 1.037 -2.431) 3.292 7.346 ( 0.117 -1.244 0.963) 1.577 7.382 ( -0.543 -2.456 0.042) 2.516 7.490 ( -7.146 -2.354 4.272) 8.652 7.538 ( -7.082 -0.189 0.369) 7.094 7.801 ( 0.939 -2.685 8.250) 8.727 7.969 ( 9.831 -1.575 2.282) 10.215 8.160 ( 0.452 8.538 2.347) 8.866 8.254 ( -0.647 5.041 -1.716) 5.364 8.470 ( 1.543 -14.663 3.479) 15.148 8.614 ( -2.806 -6.085 -0.063) 6.701 8.690 ( 1.002 -4.445 0.905) 4.646 8.849 ( 4.856 1.658 7.017) 8.693 9.049 ( 4.689 -11.376 -12.977) 17.883 9.352 ( 13.276 -2.254 -15.186) 20.297 9.971 ( 0.084 -10.824 2.413) 11.090 10.070 ( 0.395 -5.901 -1.584) 6.123 10.186 ( -1.513 3.850 2.308) 4.737 10.247 ( 0.586 2.064 -0.416) 2.185 10.445 ( -6.019 -2.337 9.110) 11.166 10.849 ( -8.983 -4.095 -5.990) 11.548 12.169 ( -4.705 -0.998 11.070) 12.070 12.533 ( -14.067 6.492 -6.408) 16.766 12.833 ( -1.375 -2.725 4.539) 5.470 12.979 ( -12.591 9.662 7.490) 17.549 13.038 ( 0.382 -1.684 -2.454) 3.001 13.461 ( -7.512 13.487 -11.908) 19.497 14.037 ( -15.544 -4.745 7.040) 17.711 14.559 ( -12.263 -5.265 -12.730) 18.444 14.795 ( 8.295 2.471 4.344) 9.684 14.966 ( 5.307 1.179 4.226) 6.886 15.342 ( 10.134 -10.586 1.258) 14.708 15.540 ( 0.326 -1.485 -4.596) 4.841 15.724 ( 13.240 -1.854 2.358) 13.575 15.831 ( 7.859 1.392 0.133) 7.983 15.887 ( 5.434 -1.070 10.169) 11.579 16.409 ( 0.851 -1.912 -7.363) 7.655 23.936 ( 0.002 -0.016 2.596) 2.596 24.081 ( -0.663 -0.924 -2.269) 2.538 24.095 ( 0.199 -1.187 0.237) 1.227 24.137 ( 1.606 -1.167 -1.571) 2.531 24.435 ( -3.528 1.168 14.025) 14.509 24.582 ( -0.216 0.439 6.960) 6.977 24.929 ( -6.650 7.867 -7.338) 12.648 25.026 ( -5.968 10.788 -10.076) 15.923 26.458 ( -5.451 -0.673 2.599) 6.076 26.594 ( -4.543 -1.008 -2.111) 5.110 26.663 ( 0.053 -3.289 0.527) 3.331 26.765 ( -1.075 -0.840 -2.001) 2.422 26.999 ( 3.378 2.125 6.581) 7.696 27.045 ( 2.760 3.545 8.911) 9.980 27.537 ( 9.347 -13.371 -1.448) 16.378 27.919 ( 4.657 -4.644 -15.086) 16.457 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.092 10.189 -0.552) 10.204 1.177 ( -6.775 9.775 -1.238) 11.958 1.331 ( 14.751 9.817 12.395) 21.624 1.597 ( 3.931 15.310 15.326) 22.017 1.780 ( 4.435 5.099 1.156) 6.856 1.810 ( 3.647 1.996 -0.750) 4.224 1.837 ( 0.982 7.652 1.950) 7.957 1.934 ( 6.068 1.085 -0.589) 6.192 2.275 ( 4.050 1.697 0.960) 4.495 2.532 ( -5.044 2.972 2.245) 6.270 2.671 ( 0.393 -4.845 -12.381) 13.301 2.842 ( 0.966 0.315 0.595) 1.178 2.867 ( 5.456 1.283 -2.335) 6.072 3.052 ( -5.106 -2.187 7.266) 9.146 3.109 ( 2.810 0.638 3.964) 4.900 3.251 ( 2.481 -1.035 0.875) 2.827 3.362 ( 6.750 1.571 -3.715) 7.863 3.458 ( 5.772 -1.657 -0.126) 6.007 3.478 ( 2.279 -1.722 0.886) 2.991 3.494 ( 6.518 -3.720 0.147) 7.506 3.629 ( 14.757 -3.813 3.345) 15.604 3.749 ( 6.428 3.002 0.759) 7.135 3.824 ( 3.470 -0.191 -2.351) 4.196 3.969 ( -2.237 -2.722 2.771) 4.483 4.038 ( 7.726 -2.166 -1.578) 8.177 4.083 ( 2.514 3.151 1.835) 4.429 4.121 ( 5.472 2.184 -0.198) 5.895 4.324 ( 8.854 -2.688 3.705) 9.967 4.354 ( 9.520 1.754 -4.886) 10.844 4.430 ( 10.994 -3.662 5.255) 12.724 4.592 ( 1.361 2.858 2.463) 4.011 4.706 ( 6.573 4.219 3.459) 8.542 4.843 ( 13.005 -6.617 -3.626) 15.035 5.011 ( 5.586 0.237 -4.088) 6.926 5.303 ( 10.253 -1.351 -8.810) 13.585 5.354 ( 12.255 -2.278 -8.124) 14.879 5.691 ( -2.266 6.660 7.709) 10.436 6.047 ( -0.952 1.706 5.161) 5.518 6.110 ( -6.392 12.853 -7.592) 16.239 6.282 ( -0.001 1.581 -3.581) 3.915 6.645 ( 1.872 4.803 4.697) 6.974 6.982 ( 1.337 3.789 -7.248) 8.288 7.139 ( 3.132 1.252 1.483) 3.685 7.228 ( 0.323 3.806 -1.530) 4.115 7.351 ( -0.888 -2.998 0.245) 3.136 7.367 ( -0.735 -3.193 0.647) 3.340 7.394 ( -0.890 -3.292 2.095) 4.002 7.432 ( -3.753 -1.277 -0.438) 3.989 7.860 ( 3.471 -3.285 8.455) 9.712 8.090 ( 1.424 -1.879 0.498) 2.410 8.196 ( 3.072 4.779 2.156) 6.076 8.237 ( -1.103 4.697 -2.219) 5.310 8.457 ( -2.693 -11.760 3.721) 12.626 8.533 ( -4.651 -3.701 0.934) 6.017 8.703 ( 0.937 -2.797 -0.408) 2.978 8.940 ( 3.346 4.191 8.397) 9.963 9.042 ( -4.145 -11.192 -9.217) 15.079 9.491 ( -0.468 0.490 -12.978) 12.996 9.965 ( -0.177 -9.312 1.393) 9.417 10.044 ( -2.591 -3.646 -1.551) 4.734 10.167 ( -2.073 -3.159 3.791) 5.353 10.239 ( -3.361 -1.724 1.274) 3.986 10.323 ( -2.500 -1.320 3.288) 4.337 10.609 ( -13.816 -2.748 -5.256) 15.035 12.077 ( -3.849 3.096 6.154) 7.891 12.298 ( -8.941 3.633 -3.145) 10.151 12.687 ( -12.582 9.844 7.773) 17.765 12.790 ( -3.489 -2.349 6.576) 7.806 13.065 ( 0.686 -3.964 -4.325) 5.907 13.319 ( -6.988 11.521 -12.871) 18.634 13.732 ( -13.373 -4.180 7.825) 16.048 14.316 ( -9.994 -4.385 -14.507) 18.154 14.968 ( 0.144 0.496 9.830) 9.844 15.013 ( 7.929 2.457 7.377) 11.105 15.386 ( -6.718 4.740 -2.116) 8.490 15.584 ( 6.918 -0.870 -7.704) 10.391 15.868 ( 1.458 -2.660 11.461) 11.856 16.038 ( 13.999 -3.620 1.769) 14.567 16.157 ( 14.455 -3.050 -1.910) 14.896 16.421 ( 0.317 -2.230 -7.518) 7.848 23.936 ( 0.000 0.046 2.331) 2.331 24.074 ( -0.033 -0.327 -2.769) 2.789 24.102 ( 0.448 -1.319 0.850) 1.631 24.170 ( 1.563 -0.803 -1.499) 2.310 24.368 ( -2.828 3.062 10.796) 11.573 24.576 ( -0.377 0.248 6.479) 6.495 24.791 ( -4.919 8.158 -5.317) 10.910 24.958 ( -3.177 3.286 -7.017) 8.375 26.368 ( -3.480 0.051 2.383) 4.218 26.539 ( -1.552 -0.015 -4.582) 4.838 26.641 ( -1.900 -3.087 0.716) 3.695 26.736 ( -1.665 -1.239 -1.758) 2.720 26.971 ( -2.164 1.805 10.538) 10.908 27.200 ( 7.671 2.304 4.989) 9.436 27.501 ( -6.586 -3.375 0.498) 7.418 28.102 ( 9.337 -9.924 -17.673) 22.316 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -6.676 7.948 0.871) 10.417 1.162 ( -0.422 13.483 -2.561) 13.730 1.611 ( 11.061 5.051 8.336) 14.743 1.714 ( 5.753 9.085 8.741) 13.858 1.796 ( 1.120 2.840 3.021) 4.295 1.905 ( 2.960 8.766 -1.601) 9.390 1.941 ( 8.057 2.597 3.984) 9.356 2.055 ( 6.314 -1.891 1.047) 6.674 2.249 ( -2.964 -3.660 0.482) 4.734 2.421 ( -5.960 3.092 -0.474) 6.731 2.672 ( -2.438 -0.495 -0.963) 2.668 2.701 ( -9.154 3.193 -3.062) 10.167 2.913 ( -3.084 0.920 7.192) 7.880 3.040 ( 4.544 -1.768 -0.468) 4.898 3.151 ( 0.720 1.159 1.908) 2.346 3.272 ( 1.271 -2.630 -3.701) 4.715 3.409 ( -3.944 -0.874 -0.090) 4.041 3.477 ( 2.470 2.766 4.845) 6.101 3.556 ( 4.296 1.611 -6.180) 7.697 3.612 ( 4.064 -4.545 -1.618) 6.308 3.799 ( -2.043 -4.914 -2.335) 5.811 3.863 ( 3.149 1.146 -3.185) 4.623 3.910 ( -0.510 -1.986 1.870) 2.775 4.000 ( 9.050 -0.906 3.758) 9.841 4.115 ( 4.196 2.325 0.100) 4.799 4.195 ( 8.081 0.511 0.903) 8.148 4.243 ( 2.220 -1.299 -3.412) 4.273 4.409 ( 1.684 -2.772 3.331) 4.649 4.536 ( 3.992 -1.312 6.965) 8.134 4.636 ( -0.318 1.559 5.030) 5.276 4.648 ( 13.324 3.558 -3.190) 14.155 4.882 ( 8.752 0.964 0.073) 8.805 4.975 ( 7.327 -0.004 6.071) 9.515 5.284 ( 16.608 0.813 -7.602) 18.284 5.520 ( 7.848 -0.747 -3.899) 8.795 5.669 ( 12.124 -1.454 -4.603) 13.050 5.721 ( 6.261 5.927 -4.491) 9.721 6.019 ( -0.706 2.551 2.299) 3.506 6.071 ( 1.138 6.702 -3.162) 7.497 6.286 ( 0.430 0.890 -4.005) 4.126 6.671 ( 0.697 5.167 4.920) 7.169 7.000 ( 0.461 2.806 -6.544) 7.135 7.191 ( 2.458 1.958 0.349) 3.162 7.224 ( 0.369 3.601 -0.778) 3.702 7.306 ( -2.264 -1.667 0.725) 2.904 7.327 ( -3.258 -1.322 -0.786) 3.603 7.425 ( 3.470 -4.659 2.127) 6.187 7.449 ( 4.387 -3.711 1.794) 6.019 7.897 ( -0.952 -4.996 7.263) 8.867 8.074 ( -1.684 -4.770 2.449) 5.620 8.198 ( -3.145 1.942 -2.860) 4.674 8.240 ( 0.936 2.339 3.227) 4.094 8.370 ( -5.265 -10.361 0.606) 11.637 8.456 ( -2.156 1.402 3.005) 3.955 8.706 ( -3.217 -8.590 -4.305) 10.133 8.884 ( -7.478 -1.887 -6.868) 10.327 8.978 ( -0.001 4.139 7.928) 8.943 9.438 ( -2.470 7.346 -8.828) 11.748 9.945 ( -3.740 -3.006 4.774) 6.769 10.004 ( -0.497 -9.162 -0.798) 9.210 10.049 ( -4.732 -6.109 -1.140) 7.811 10.220 ( 0.216 -3.184 2.247) 3.903 10.304 ( -3.263 -3.636 -0.330) 4.897 10.374 ( -6.237 -1.173 -2.164) 6.705 12.022 ( -1.788 2.715 2.868) 4.335 12.171 ( -4.025 1.983 -2.949) 5.370 12.497 ( -6.060 11.178 9.789) 16.047 12.737 ( -1.682 -2.733 6.456) 7.209 13.063 ( -0.419 -0.786 -7.394) 7.448 13.183 ( -6.167 6.631 -10.521) 13.881 13.534 ( -6.336 -3.884 8.686) 11.431 14.178 ( -4.053 -4.465 -15.908) 17.013 14.930 ( -1.852 1.506 7.499) 7.870 15.159 ( 4.144 3.235 5.661) 7.725 15.254 ( -4.364 5.770 1.930) 7.487 15.686 ( 2.894 1.426 -1.368) 3.505 15.899 ( 1.690 -1.031 6.337) 6.639 16.263 ( 7.875 -4.759 1.811) 9.378 16.382 ( 7.590 -3.412 -2.164) 8.598 16.422 ( -0.073 -2.526 -7.659) 8.065 23.936 ( -0.001 0.089 2.031) 2.033 24.078 ( 0.316 -0.004 -3.392) 3.407 24.111 ( 0.353 -1.430 1.447) 2.065 24.196 ( 0.959 -0.510 -1.081) 1.533 24.326 ( -1.428 3.151 8.384) 9.069 24.569 ( -0.293 0.104 5.907) 5.915 24.738 ( -0.715 5.219 -5.703) 7.764 24.885 ( -3.821 1.851 -5.849) 7.227 26.318 ( -1.582 0.274 2.653) 3.101 26.518 ( -0.674 0.141 -5.668) 5.710 26.603 ( -1.642 -3.272 1.471) 3.945 26.705 ( -1.256 -1.794 -1.839) 2.859 26.938 ( -1.090 3.112 9.129) 9.706 27.271 ( -1.183 2.544 -3.291) 4.324 27.431 ( 0.827 -0.727 11.336) 11.389 28.239 ( 4.410 -9.703 -16.579) 19.710 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.000 7.893 2.300) 8.221 1.155 ( -0.000 14.870 -2.188) 15.030 1.726 ( -0.000 1.103 7.568) 7.648 1.760 ( -0.000 8.361 3.304) 8.990 1.827 ( 0.000 1.017 4.471) 4.585 1.932 ( -0.000 7.782 -2.218) 8.092 2.092 ( -0.000 -10.594 -1.964) 10.775 2.114 ( -0.000 7.093 6.237) 9.445 2.208 ( 0.000 -2.177 -0.887) 2.351 2.385 ( -0.000 7.450 0.668) 7.479 2.487 ( 0.000 2.103 5.978) 6.337 2.680 ( 0.000 3.873 2.823) 4.793 2.884 ( 0.000 -0.580 3.004) 3.059 3.093 ( -0.000 -2.472 -2.495) 3.512 3.150 ( 0.000 2.653 1.353) 2.978 3.308 ( -0.000 -4.408 -4.869) 6.568 3.340 ( 0.000 -0.723 -2.357) 2.465 3.500 ( -0.000 -0.785 7.069) 7.113 3.598 ( 0.000 12.321 -11.453) 16.822 3.679 ( 0.000 -11.589 -2.614) 11.880 3.742 ( 0.000 -2.352 0.031) 2.352 3.888 ( -0.000 -3.890 5.396) 6.653 3.902 ( 0.000 -0.156 -7.034) 7.036 4.061 ( 0.000 3.423 1.667) 3.807 4.161 ( 0.000 0.669 -0.427) 0.794 4.245 ( 0.000 0.521 -5.802) 5.825 4.360 ( 0.000 -5.657 6.301) 8.468 4.449 ( -0.000 -3.769 4.656) 5.990 4.526 ( 0.000 2.877 4.838) 5.629 4.595 ( 0.000 0.836 12.168) 12.197 4.819 ( 0.000 0.764 -5.643) 5.694 4.914 ( 0.000 -0.952 -4.039) 4.150 5.149 ( 0.000 5.121 9.540) 10.827 5.466 ( 0.000 0.246 -3.283) 3.292 5.656 ( 0.000 3.202 -9.323) 9.858 5.718 ( 0.000 -0.910 4.737) 4.823 5.809 ( 0.000 5.156 -15.398) 16.238 6.029 ( 0.000 0.048 6.103) 6.103 6.087 ( 0.000 7.432 -6.166) 9.657 6.292 ( 0.000 0.967 -4.332) 4.439 6.676 ( 0.000 5.005 5.243) 7.248 7.005 ( 0.000 2.378 -6.295) 6.729 7.234 ( -0.000 -1.368 -1.405) 1.961 7.255 ( 0.000 -0.333 -1.714) 1.746 7.262 ( 0.000 0.868 -0.050) 0.869 7.279 ( 0.000 1.985 -0.065) 1.986 7.493 ( -0.000 -3.182 5.165) 6.066 7.524 ( 0.000 -2.940 4.040) 4.996 7.842 ( 0.000 -8.925 5.548) 10.509 8.065 ( -0.000 -9.067 6.414) 11.106 8.130 ( 0.000 -2.349 -5.155) 5.665 8.247 ( 0.000 5.314 4.541) 6.990 8.312 ( 0.000 -9.252 -3.105) 9.759 8.446 ( -0.000 3.857 6.413) 7.483 8.598 ( 0.000 -9.644 -8.070) 12.575 8.842 ( 0.000 3.358 -6.486) 7.304 8.975 ( 0.000 4.885 7.781) 9.187 9.414 ( 0.000 7.992 -8.128) 11.399 9.882 ( 0.000 -0.386 7.000) 7.011 10.003 ( 0.000 -10.287 -1.642) 10.418 10.016 ( 0.000 -8.098 -3.234) 8.719 10.206 ( 0.000 -1.587 -4.765) 5.022 10.248 ( 0.000 -5.108 5.193) 7.284 10.346 ( 0.000 -2.061 0.537) 2.130 12.003 ( 0.000 2.075 2.138) 2.980 12.132 ( 0.000 1.586 -2.895) 3.301 12.439 ( 0.000 11.667 10.421) 15.644 12.722 ( 0.000 -3.302 7.353) 8.061 13.066 ( 0.000 12.352 -12.703) 17.719 13.105 ( -0.000 -6.306 -6.543) 9.087 13.472 ( 0.000 -3.810 9.102) 9.868 14.140 ( -0.000 -4.586 -16.448) 17.075 14.910 ( 0.000 1.771 6.332) 6.575 15.165 ( 0.000 8.372 -3.248) 8.980 15.243 ( -0.000 0.941 11.826) 11.863 15.712 ( 0.000 1.746 2.178) 2.791 15.919 ( 0.000 -0.038 3.238) 3.238 16.343 ( 0.000 -5.013 2.008) 5.400 16.417 ( 0.000 -2.645 -7.922) 8.352 16.461 ( 0.000 -3.378 -2.134) 3.996 23.936 ( -0.000 0.102 1.898) 1.901 24.082 ( -0.000 0.057 -3.705) 3.705 24.114 ( -0.000 -1.463 1.712) 2.252 24.206 ( -0.000 -0.412 -0.888) 0.979 24.311 ( 0.000 3.104 7.645) 8.251 24.566 ( 0.000 0.044 5.638) 5.639 24.740 ( 0.000 4.511 -6.986) 8.316 24.836 ( -0.000 1.246 -4.368) 4.543 26.302 ( 0.000 0.314 2.779) 2.797 26.511 ( 0.000 0.264 -6.053) 6.059 26.585 ( -0.000 -3.399 1.927) 3.908 26.691 ( -0.000 -2.026 -1.870) 2.757 26.927 ( 0.000 3.590 8.441) 9.173 27.244 ( 0.000 3.474 -4.141) 5.405 27.453 ( 0.000 -0.775 13.160) 13.182 28.283 ( 0.000 -9.537 -16.097) 18.710 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 21.179 12.721) 24.706 1.231 ( 0.000 12.141 13.877) 18.438 1.655 ( 0.000 -2.343 0.691) 2.442 1.657 ( 0.000 16.095 -5.026) 16.861 1.773 ( 0.000 14.355 -3.174) 14.702 1.776 ( 0.000 0.550 -3.282) 3.328 2.014 ( 0.000 6.419 -11.607) 13.264 2.052 ( 0.000 8.271 -16.868) 18.787 2.297 ( 0.000 18.922 16.407) 25.045 2.588 ( 0.000 -6.613 -0.019) 6.613 2.614 ( 0.000 -0.897 2.926) 3.061 2.741 ( 0.000 3.499 -3.792) 5.160 2.798 ( 0.000 -3.487 -5.489) 6.503 2.836 ( 0.000 10.246 7.198) 12.522 2.924 ( 0.000 -6.011 6.988) 9.217 2.998 ( 0.000 -7.438 -11.505) 13.700 3.100 ( 0.000 -1.736 7.387) 7.589 3.118 ( 0.000 -9.378 -0.193) 9.380 3.166 ( 0.000 -5.392 7.234) 9.023 3.476 ( 0.000 -0.374 -0.463) 0.595 3.618 ( 0.000 2.113 1.063) 2.366 3.623 ( 0.000 0.271 5.076) 5.084 3.660 ( 0.000 -2.209 -0.844) 2.365 3.809 ( 0.000 4.325 -1.705) 4.649 3.850 ( 0.000 -6.504 -7.502) 9.929 3.962 ( 0.000 1.373 7.460) 7.586 4.037 ( 0.000 0.229 2.759) 2.768 4.109 ( 0.000 4.778 5.217) 7.074 4.259 ( 0.000 -6.897 0.994) 6.968 4.333 ( 0.000 6.516 0.561) 6.540 4.349 ( 0.000 5.553 4.115) 6.911 4.489 ( 0.000 -3.224 0.461) 3.257 4.640 ( 0.000 2.000 -7.503) 7.765 5.017 ( 0.000 -5.730 4.723) 7.426 5.045 ( 0.000 -8.106 1.773) 8.298 5.113 ( 0.000 -3.246 -16.809) 17.119 6.074 ( 0.000 9.033 14.113) 16.756 6.126 ( 0.000 3.420 4.377) 5.555 6.385 ( 0.000 7.426 -4.265) 8.564 6.649 ( 0.000 5.112 4.544) 6.839 6.804 ( 0.000 3.923 -13.397) 13.959 6.998 ( 0.000 3.632 -7.765) 8.572 7.016 ( 0.000 -3.474 1.120) 3.650 7.172 ( 0.000 -0.720 -3.806) 3.873 7.340 ( 0.000 -1.001 1.034) 1.439 7.379 ( 0.000 2.504 -0.211) 2.513 7.490 ( 0.000 -5.040 5.865) 7.733 7.700 ( 0.000 -0.473 -3.079) 3.115 7.762 ( 0.000 -1.161 1.943) 2.263 7.880 ( 0.000 -1.269 -2.347) 2.668 7.995 ( 0.000 -14.653 6.320) 15.958 8.212 ( 0.000 -18.033 -1.328) 18.082 8.377 ( 0.000 12.519 1.296) 12.586 8.473 ( 0.000 12.001 -2.790) 12.321 8.610 ( 0.000 -1.967 2.728) 3.363 8.830 ( 0.000 2.575 7.198) 7.645 8.915 ( 0.000 0.605 -11.512) 11.528 9.290 ( 0.000 4.369 -9.538) 10.491 9.660 ( 0.000 -18.207 4.832) 18.837 9.855 ( 0.000 -13.327 -2.811) 13.620 10.277 ( 0.000 2.171 5.169) 5.607 10.369 ( 0.000 7.118 -0.147) 7.119 10.439 ( 0.000 -3.918 9.660) 10.425 10.819 ( 0.000 -7.426 -4.784) 8.834 12.267 ( 0.000 7.136 9.873) 12.182 12.748 ( 0.000 -4.814 4.039) 6.284 12.817 ( 0.000 3.252 -13.123) 13.520 12.986 ( 0.000 -1.299 -4.336) 4.527 13.392 ( 0.000 11.828 9.167) 14.965 13.866 ( 0.000 15.070 -10.275) 18.240 14.079 ( 0.000 -9.390 6.797) 11.592 14.534 ( 0.000 -6.417 -8.516) 10.663 14.793 ( 0.000 -0.403 -0.571) 0.699 14.922 ( 0.000 5.701 -3.006) 6.445 14.944 ( 0.000 -8.347 13.139) 15.566 15.327 ( 0.000 -6.826 -4.614) 8.239 15.620 ( 0.000 2.459 5.238) 5.787 15.818 ( 0.000 -2.617 12.430) 12.703 15.914 ( 0.000 8.124 -5.386) 9.747 16.341 ( 0.000 -4.101 -7.388) 8.450 23.941 ( 0.000 0.725 2.188) 2.305 24.058 ( 0.000 -2.213 0.614) 2.297 24.072 ( 0.000 -0.965 -2.636) 2.807 24.095 ( 0.000 -0.860 -1.349) 1.600 24.516 ( 0.000 3.337 15.420) 15.777 24.597 ( 0.000 0.528 8.395) 8.412 25.067 ( 0.000 5.758 -8.428) 10.207 25.345 ( 0.000 2.150 -19.781) 19.897 26.513 ( 0.000 -1.947 4.039) 4.484 26.541 ( 0.000 -3.730 1.979) 4.222 26.647 ( 0.000 -1.909 -1.915) 2.704 26.717 ( 0.000 -2.795 -3.680) 4.621 27.023 ( 0.000 4.479 4.488) 6.341 27.098 ( 0.000 -2.666 17.876) 18.073 27.251 ( 0.000 9.648 -3.631) 10.309 27.785 ( 0.000 -8.600 -10.611) 13.659 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 4.541 11.974 7.788) 14.988 1.406 ( 11.339 16.595 9.563) 22.258 1.580 ( -8.172 9.600 -6.352) 14.117 1.679 ( 2.483 -0.762 1.139) 2.836 1.774 ( 2.031 6.597 -1.893) 7.157 1.838 ( 5.361 10.646 -0.597) 11.934 2.014 ( 0.850 9.741 -7.158) 12.118 2.095 ( 0.645 10.203 -6.386) 12.054 2.314 ( 0.060 11.068 8.529) 13.973 2.585 ( -0.342 -3.960 -2.857) 4.895 2.648 ( -2.914 -1.621 -1.035) 3.491 2.703 ( 6.659 0.018 1.640) 6.858 2.843 ( 2.211 0.603 -5.349) 5.819 2.898 ( 3.786 -4.523 1.899) 6.196 3.031 ( 9.517 0.344 6.952) 11.791 3.055 ( 6.052 -1.387 0.890) 6.272 3.166 ( 10.425 -5.378 0.821) 11.759 3.211 ( 7.573 -4.038 0.011) 8.582 3.275 ( 7.883 -3.261 5.304) 10.045 3.467 ( 0.250 0.398 -0.550) 0.723 3.553 ( -4.416 1.625 1.506) 4.941 3.674 ( 4.310 0.711 6.812) 8.093 3.758 ( 6.397 -0.773 -2.971) 7.095 3.825 ( 1.508 -4.802 -5.781) 7.665 3.909 ( 5.800 0.427 -1.019) 5.904 4.016 ( 5.461 2.147 4.638) 7.480 4.085 ( 4.861 -0.914 6.634) 8.275 4.188 ( 6.280 4.870 2.225) 8.253 4.237 ( -0.449 2.723 -0.500) 2.805 4.330 ( 1.310 3.142 1.515) 3.726 4.450 ( 10.199 -1.488 1.564) 10.425 4.558 ( 5.112 -3.044 -1.075) 6.046 4.674 ( 3.471 3.098 -4.391) 6.397 4.975 ( -3.374 -1.844 -0.957) 3.962 5.065 ( 4.016 -11.548 -0.270) 12.229 5.153 ( 3.247 -2.558 -9.337) 10.211 5.975 ( -7.318 8.952 12.179) 16.793 6.117 ( -1.226 2.867 4.092) 5.145 6.366 ( -1.776 6.027 -4.445) 7.696 6.614 ( -14.945 7.128 -11.336) 20.066 6.703 ( 3.972 6.514 4.309) 8.762 7.034 ( 3.404 1.915 -4.317) 5.822 7.055 ( 2.767 -0.398 -0.993) 2.967 7.202 ( 2.821 -1.127 -3.201) 4.413 7.321 ( -1.594 -1.607 0.778) 2.394 7.367 ( -1.284 1.379 -0.372) 1.921 7.434 ( -4.209 -2.179 3.859) 6.112 7.534 ( -9.476 -0.016 -1.628) 9.615 7.759 ( 0.493 -1.241 5.169) 5.338 7.909 ( 5.947 -4.583 1.874) 7.739 8.153 ( 2.951 -14.222 -0.277) 14.527 8.230 ( 1.576 -13.368 -1.814) 13.582 8.387 ( 1.095 12.980 2.089) 13.192 8.539 ( 3.181 6.274 -2.815) 7.576 8.623 ( 2.063 0.542 3.069) 3.737 8.875 ( 4.265 1.340 7.230) 8.501 8.957 ( 2.452 -0.529 -10.950) 11.233 9.348 ( 5.595 0.875 -10.439) 11.876 9.670 ( 0.770 -18.363 4.238) 18.862 9.859 ( 0.113 -14.288 -3.001) 14.600 10.240 ( -3.627 1.567 5.231) 6.555 10.329 ( -3.945 3.972 1.250) 5.736 10.395 ( -4.044 -1.387 6.964) 8.172 10.741 ( -7.638 -6.589 -4.894) 11.212 12.245 ( -2.099 7.624 8.251) 11.428 12.651 ( -10.519 5.143 -6.693) 13.486 12.759 ( -2.865 -4.173 2.662) 5.719 12.985 ( -0.618 -3.203 -4.223) 5.336 13.217 ( -14.072 12.890 8.654) 20.954 13.737 ( -9.461 13.588 -12.180) 20.554 13.905 ( -14.300 -8.245 7.005) 17.932 14.424 ( -11.426 -8.330 -13.105) 19.279 14.845 ( 8.276 2.460 6.775) 10.975 14.974 ( 4.111 -0.998 10.325) 11.158 15.216 ( 19.108 -1.219 -2.803) 19.351 15.478 ( 8.726 -4.569 -6.126) 11.599 15.701 ( 7.810 -0.113 4.421) 8.975 15.835 ( 1.655 -2.418 11.084) 11.465 15.929 ( 3.569 6.275 -4.040) 8.273 16.346 ( 0.319 -4.508 -7.439) 8.704 23.942 ( 0.056 0.749 2.186) 2.311 24.060 ( 0.173 -2.148 0.628) 2.244 24.068 ( -0.093 -0.516 -2.207) 2.269 24.113 ( 1.447 -1.311 -1.980) 2.781 24.494 ( -1.978 3.817 14.094) 14.735 24.592 ( -0.468 0.368 8.125) 8.147 25.038 ( -3.141 5.325 -7.994) 10.106 25.210 ( -10.410 5.080 -14.090) 18.240 26.445 ( -4.129 -0.440 2.867) 5.046 26.544 ( -1.337 -3.575 2.114) 4.363 26.622 ( -1.356 -1.014 -3.418) 3.814 26.719 ( -0.774 -3.459 -2.856) 4.552 27.043 ( -0.183 2.546 9.738) 10.067 27.115 ( 4.921 2.683 8.662) 10.317 27.402 ( 8.627 0.070 -2.954) 9.119 27.787 ( 1.658 -7.931 -10.981) 13.647 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.506 8.100 -1.581) 8.268 1.368 ( -5.375 11.509 -3.790) 13.256 1.605 ( 7.546 13.081 4.195) 15.673 1.748 ( 4.074 0.174 2.639) 4.857 1.818 ( 1.884 1.440 -1.473) 2.792 1.945 ( 2.936 11.389 2.697) 12.066 2.039 ( 2.943 9.304 -0.074) 9.759 2.108 ( 1.582 13.975 0.835) 14.089 2.266 ( -3.381 1.523 3.653) 5.205 2.558 ( -3.600 -1.240 3.440) 5.131 2.589 ( -0.794 -3.283 -8.737) 9.367 2.789 ( -0.355 -6.293 1.598) 6.502 2.919 ( 2.860 -8.003 -2.075) 8.748 2.978 ( 5.613 3.999 -7.579) 10.244 3.123 ( 0.582 1.225 10.451) 10.539 3.243 ( 4.341 -0.798 3.600) 5.695 3.355 ( 6.524 0.722 1.413) 6.714 3.376 ( 5.252 -5.717 -0.685) 7.793 3.440 ( 1.442 -3.097 3.516) 4.903 3.531 ( 4.967 -3.380 3.488) 6.947 3.575 ( 17.536 9.390 1.368) 19.939 3.787 ( -0.254 -2.903 -9.890) 10.311 3.824 ( 10.384 3.573 2.954) 11.372 3.905 ( 0.858 -2.863 -0.136) 2.992 4.008 ( 5.449 -0.342 0.043) 5.460 4.137 ( 4.692 2.237 2.481) 5.759 4.185 ( 2.507 3.190 0.058) 4.058 4.284 ( 8.675 -1.378 3.754) 9.552 4.409 ( 6.677 0.741 5.458) 8.656 4.423 ( 13.748 4.994 -3.585) 15.060 4.617 ( 3.019 -1.971 0.157) 3.609 4.683 ( 8.158 -4.360 -2.804) 9.666 4.817 ( 10.075 5.301 5.025) 12.444 4.995 ( 9.264 -1.693 -3.257) 9.965 5.248 ( 15.041 -6.535 -2.463) 16.583 5.275 ( 10.712 -3.838 -4.821) 12.358 5.857 ( -3.437 8.969 7.411) 12.131 6.087 ( -1.505 1.684 3.305) 4.002 6.319 ( -4.827 5.025 -5.591) 8.934 6.342 ( -8.030 6.462 -7.607) 12.811 6.779 ( 3.073 8.493 4.032) 9.890 7.074 ( 1.009 4.867 -6.088) 7.859 7.147 ( 5.095 -1.105 1.927) 5.558 7.262 ( 2.401 -2.418 -2.035) 3.969 7.289 ( -1.335 -3.113 0.530) 3.429 7.321 ( -2.451 -3.155 1.371) 4.224 7.377 ( -2.098 5.663 -1.451) 6.211 7.389 ( -4.844 -2.027 -0.298) 5.259 7.794 ( 1.738 -2.826 6.142) 6.981 7.973 ( -0.168 -8.729 1.277) 8.824 8.139 ( -2.783 -13.881 -0.327) 14.161 8.231 ( -2.222 -9.172 -4.202) 10.331 8.418 ( 1.541 13.083 3.633) 13.665 8.560 ( 0.105 7.293 0.902) 7.349 8.662 ( 0.700 3.096 0.336) 3.192 8.961 ( 0.334 0.951 -2.664) 2.848 8.975 ( 2.560 -0.316 3.071) 4.010 9.456 ( 3.625 -3.522 -9.769) 10.999 9.677 ( -0.099 -18.416 2.905) 18.644 9.851 ( -1.039 -15.252 -3.985) 15.798 10.135 ( -7.133 -0.371 6.349) 9.557 10.223 ( -5.430 -1.208 3.785) 6.729 10.312 ( -3.587 1.424 0.719) 3.926 10.536 ( -11.794 -4.393 -4.662) 13.421 12.191 ( -3.050 8.237 5.001) 10.107 12.429 ( -9.910 8.979 -4.009) 13.961 12.700 ( -3.049 -5.635 4.954) 8.098 12.919 ( -9.457 6.681 3.278) 12.034 12.982 ( -4.113 0.347 1.427) 4.367 13.555 ( -8.414 10.407 -12.020) 17.988 13.618 ( -12.904 -5.669 5.907) 15.282 14.195 ( -9.769 -7.752 -14.572) 19.180 14.991 ( 1.222 1.832 12.078) 12.277 15.060 ( 7.881 1.850 9.956) 12.832 15.500 ( 1.101 5.971 -5.316) 8.070 15.578 ( 9.076 0.600 -7.917) 12.059 15.821 ( 2.718 -1.623 9.953) 10.445 15.954 ( 10.693 -4.548 2.973) 11.994 16.101 ( 11.461 -1.869 -2.496) 11.878 16.348 ( -0.188 -5.208 -7.554) 9.177 23.943 ( 0.071 0.815 2.145) 2.296 24.065 ( 0.353 -2.252 1.008) 2.492 24.071 ( 0.423 0.072 -2.556) 2.592 24.144 ( 1.563 -1.674 -2.277) 3.229 24.448 ( -2.304 4.519 11.438) 12.512 24.580 ( -0.680 -0.011 7.412) 7.444 24.936 ( -6.130 6.001 -6.755) 10.919 25.038 ( -6.372 3.836 -9.016) 11.688 26.373 ( -2.966 0.581 2.691) 4.047 26.515 ( -1.226 -2.864 0.526) 3.159 26.586 ( -2.301 -1.754 -3.073) 4.221 26.689 ( -1.957 -3.439 -2.664) 4.770 27.035 ( -0.238 4.660 9.577) 10.653 27.243 ( 6.515 1.323 6.539) 9.325 27.459 ( -1.749 0.323 -2.559) 3.116 27.890 ( 7.077 -10.776 -11.882) 17.532 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -5.916 11.611 -0.527) 13.042 1.420 ( 1.975 11.229 -8.612) 14.288 1.716 ( 2.994 3.184 1.803) 4.728 1.828 ( 2.191 -6.037 -2.733) 6.979 1.859 ( 3.912 7.378 4.679) 9.572 1.958 ( -0.613 7.148 2.781) 7.695 2.092 ( 0.865 8.021 -2.230) 8.370 2.170 ( 3.088 5.494 -0.543) 6.326 2.258 ( 4.880 10.068 10.353) 15.243 2.478 ( -3.098 3.383 5.280) 6.995 2.610 ( 1.171 -4.752 -5.168) 7.118 2.699 ( -7.651 -3.548 1.954) 8.657 2.939 ( -0.819 -2.040 7.962) 8.260 3.057 ( 1.474 2.966 -7.229) 7.951 3.126 ( 2.082 -3.265 -3.510) 5.227 3.268 ( 0.357 1.831 1.492) 2.389 3.392 ( -2.563 -1.765 5.263) 6.114 3.412 ( -0.398 -3.816 0.418) 3.859 3.483 ( 4.683 -2.326 0.340) 5.240 3.627 ( 3.293 -3.550 2.089) 5.273 3.760 ( -0.666 -1.311 -10.995) 11.093 3.843 ( -2.486 -2.913 5.922) 7.052 3.918 ( 6.579 5.615 -6.934) 11.086 4.024 ( 8.499 3.222 4.165) 9.998 4.118 ( 5.014 -1.204 -1.609) 5.402 4.214 ( 3.697 0.900 2.407) 4.502 4.235 ( 1.834 1.133 -0.845) 2.316 4.358 ( 0.241 -2.281 1.156) 2.569 4.526 ( 4.102 -0.371 6.810) 7.958 4.637 ( -1.565 -2.341 2.996) 4.111 4.704 ( 11.372 2.211 -4.533) 12.441 4.825 ( 4.338 -4.211 -2.328) 6.478 5.067 ( 16.817 8.220 9.738) 21.100 5.333 ( 19.050 3.757 -2.992) 19.646 5.501 ( 10.458 -1.843 1.728) 10.759 5.624 ( 15.971 -3.180 -1.304) 16.336 5.865 ( 4.252 7.765 -2.514) 9.203 6.060 ( -1.366 1.964 1.696) 2.932 6.212 ( -1.006 6.130 -6.907) 9.289 6.303 ( -0.336 0.669 -6.109) 6.155 6.819 ( 0.944 9.617 4.001) 10.459 7.079 ( -0.418 4.854 -4.680) 6.756 7.207 ( 0.239 -1.291 0.872) 1.576 7.255 ( -1.754 -1.266 -0.442) 2.208 7.268 ( -1.552 -3.247 -0.104) 3.600 7.317 ( 0.291 -2.446 -0.589) 2.533 7.340 ( 2.022 -3.298 1.599) 4.186 7.379 ( 2.841 2.075 -0.509) 3.555 7.790 ( -3.474 -4.815 6.167) 8.561 7.909 ( -4.553 -10.299 2.526) 11.540 8.068 ( -5.030 -14.103 -2.169) 15.129 8.133 ( -6.294 -9.811 -5.323) 12.814 8.439 ( 0.663 13.755 3.326) 14.167 8.559 ( -0.097 8.369 4.105) 9.322 8.645 ( -1.987 6.266 -1.836) 6.825 8.930 ( -1.211 4.543 -5.311) 7.093 9.021 ( 0.761 -1.231 8.230) 8.356 9.484 ( 0.048 -2.243 -8.074) 8.380 9.680 ( 0.486 -19.463 1.276) 19.511 9.820 ( -1.742 -14.597 -4.911) 15.499 9.973 ( -7.474 0.199 6.441) 9.869 10.153 ( -1.780 -4.049 4.340) 6.197 10.247 ( -3.865 -0.955 -2.331) 4.614 10.333 ( -6.487 -2.471 -3.003) 7.564 12.134 ( -2.310 8.239 2.731) 8.982 12.281 ( -4.785 9.152 -2.580) 10.644 12.647 ( -1.970 -5.747 5.220) 8.010 12.756 ( -5.350 13.234 9.144) 16.953 12.943 ( -1.031 -8.642 -4.159) 9.646 13.405 ( -6.565 12.793 -13.501) 19.724 13.423 ( -6.065 -7.272 8.610) 12.799 14.055 ( -4.364 -7.908 -15.663) 18.081 14.979 ( -1.052 3.573 10.262) 10.917 15.196 ( 4.731 0.092 12.791) 13.638 15.433 ( -3.970 11.510 -5.684) 13.437 15.728 ( 4.005 2.765 -1.886) 5.219 15.886 ( 3.644 0.046 3.767) 5.241 16.142 ( 6.961 -7.113 2.646) 10.299 16.299 ( 7.215 -4.660 -2.645) 8.987 16.340 ( -0.427 -5.595 -7.620) 9.463 23.944 ( 0.041 0.887 2.056) 2.240 24.072 ( 0.271 -2.434 1.568) 2.908 24.082 ( 0.505 0.490 -3.190) 3.267 24.171 ( 1.019 -1.810 -2.258) 3.068 24.410 ( -1.391 4.815 9.362) 10.619 24.568 ( -0.506 -0.392 6.615) 6.646 24.846 ( -2.364 5.042 -6.059) 8.229 24.928 ( -4.745 2.176 -6.884) 8.640 26.329 ( -1.446 0.934 2.794) 3.282 26.499 ( -0.272 -3.195 0.413) 3.233 26.540 ( -2.030 -1.473 -3.084) 3.975 26.652 ( -1.494 -3.402 -2.530) 4.495 27.034 ( 0.063 6.515 8.059) 10.363 27.341 ( 2.536 3.140 1.352) 4.257 27.416 ( -1.076 0.654 3.738) 3.945 28.006 ( 3.997 -13.014 -11.965) 18.125 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 12.613 0.575) 12.626 1.438 ( -0.000 12.097 -10.144) 15.787 1.741 ( 0.000 -0.623 0.531) 0.819 1.845 ( 0.000 -6.003 -3.154) 6.781 1.922 ( 0.000 0.800 4.824) 4.890 1.940 ( -0.000 9.255 2.537) 9.596 2.097 ( -0.000 8.245 -2.465) 8.606 2.197 ( -0.000 1.816 -2.149) 2.814 2.369 ( -0.000 17.917 12.690) 21.955 2.487 ( -0.000 1.096 9.663) 9.725 2.514 ( 0.000 0.297 1.518) 1.547 2.639 ( 0.000 -5.501 -4.602) 7.172 2.921 ( 0.000 3.438 12.480) 12.945 3.074 ( -0.000 -4.251 -9.253) 10.183 3.163 ( 0.000 -4.147 -10.380) 11.177 3.271 ( 0.000 3.289 1.385) 3.569 3.341 ( 0.000 4.194 6.494) 7.730 3.416 ( 0.000 -8.530 1.258) 8.623 3.541 ( -0.000 -1.105 -1.443) 1.818 3.654 ( -0.000 -4.062 -0.197) 4.066 3.749 ( 0.000 -2.264 -11.135) 11.363 3.803 ( 0.000 -3.945 10.097) 10.841 3.966 ( 0.000 8.201 -10.783) 13.547 4.112 ( 0.000 1.424 2.298) 2.703 4.176 ( 0.000 1.099 -1.127) 1.574 4.251 ( 0.000 -4.881 6.548) 8.167 4.254 ( 0.000 0.615 -3.477) 3.531 4.374 ( -0.000 -2.905 2.478) 3.818 4.568 ( -0.000 0.723 4.365) 4.425 4.599 ( 0.000 -0.756 8.175) 8.210 4.835 ( -0.000 0.755 -4.568) 4.630 4.849 ( 0.000 -4.373 -3.318) 5.489 5.288 ( 0.000 8.360 10.424) 13.362 5.502 ( 0.000 2.436 3.182) 4.008 5.721 ( -0.001 1.045 5.299) 5.401 5.723 ( 0.001 2.801 -4.462) 5.268 5.939 ( -0.000 7.185 -11.936) 13.932 6.037 ( 0.000 1.237 2.882) 3.136 6.224 ( 0.000 5.771 -6.858) 8.963 6.307 ( 0.000 0.264 -7.178) 7.183 6.825 ( 0.000 9.805 4.400) 10.747 7.074 ( 0.000 4.351 -4.012) 5.919 7.196 ( 0.000 -2.474 -0.144) 2.478 7.233 ( 0.000 -2.085 -0.908) 2.274 7.250 ( 0.000 -2.478 0.495) 2.527 7.312 ( 0.000 0.931 -1.711) 1.948 7.407 ( -0.000 -5.495 3.860) 6.715 7.448 ( -0.000 -4.304 1.468) 4.548 7.691 ( 0.000 -4.802 4.408) 6.518 7.871 ( -0.000 -9.869 3.964) 10.635 7.946 ( 0.000 -12.530 -4.859) 13.439 8.083 ( 0.000 -11.982 -3.598) 12.510 8.446 ( 0.000 14.462 2.511) 14.678 8.558 ( 0.000 6.893 7.548) 10.222 8.617 ( 0.000 10.257 -4.270) 11.110 8.922 ( 0.000 5.039 -5.175) 7.223 9.023 ( 0.000 -1.210 8.140) 8.229 9.483 ( 0.000 -1.366 -8.104) 8.218 9.687 ( 0.000 -20.103 0.472) 20.109 9.799 ( 0.000 -14.745 -4.936) 15.549 9.891 ( 0.000 1.625 6.340) 6.545 10.139 ( 0.000 -5.750 5.308) 7.825 10.185 ( 0.000 -0.114 -4.484) 4.485 10.285 ( 0.000 -3.249 -1.334) 3.512 12.109 ( 0.000 8.133 2.139) 8.410 12.234 ( 0.000 8.981 -2.333) 9.279 12.627 ( 0.000 -6.256 5.686) 8.454 12.704 ( 0.000 14.165 9.904) 17.284 12.935 ( 0.000 -10.582 -5.317) 11.842 13.333 ( 0.000 13.843 -13.106) 19.063 13.364 ( -0.000 -7.151 8.910) 11.425 14.013 ( -0.000 -8.194 -16.036) 18.008 14.967 ( 0.000 4.072 9.396) 10.240 15.244 ( -0.000 -1.423 14.539) 14.608 15.387 ( -0.000 13.533 -6.193) 14.883 15.763 ( 0.000 3.508 1.399) 3.777 15.929 ( 0.000 0.937 0.008) 0.937 16.213 ( 0.000 -7.759 2.838) 8.262 16.334 ( 0.000 -5.556 -7.609) 9.422 16.373 ( 0.000 -5.208 -2.771) 5.899 23.945 ( -0.000 0.918 2.007) 2.207 24.075 ( -0.000 -2.480 1.807) 3.068 24.087 ( -0.000 0.591 -3.452) 3.503 24.182 ( -0.000 -1.816 -2.214) 2.863 24.396 ( 0.000 4.865 8.642) 9.917 24.562 ( 0.000 -0.551 6.249) 6.273 24.835 ( 0.000 4.359 -7.159) 8.381 24.867 ( -0.000 1.731 -4.927) 5.222 26.314 ( 0.000 1.016 2.839) 3.015 26.501 ( 0.000 -4.791 2.467) 5.389 26.515 ( -0.000 0.182 -5.115) 5.118 26.636 ( 0.000 -3.365 -2.425) 4.147 27.035 ( 0.000 7.173 7.430) 10.328 27.352 ( 0.000 7.541 -4.551) 8.808 27.419 ( 0.000 -2.937 10.160) 10.576 28.045 ( 0.000 -13.622 -11.879) 18.074 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 8.640 2.648) 9.037 1.566 ( 0.000 0.744 -0.407) 0.849 1.596 ( 0.000 8.099 1.659) 8.268 1.730 ( 0.000 -2.599 -8.242) 8.642 1.818 ( 0.000 6.495 0.061) 6.495 2.011 ( 0.000 -5.469 3.455) 6.468 2.167 ( 0.000 14.178 -5.436) 15.185 2.235 ( 0.000 7.468 -12.621) 14.665 2.427 ( 0.000 1.828 -3.105) 3.604 2.545 ( 0.000 -6.956 -0.243) 6.960 2.600 ( 0.000 5.975 2.459) 6.461 2.696 ( 0.000 -5.559 -5.096) 7.541 2.755 ( 0.000 -2.818 -1.625) 3.253 2.792 ( 0.000 -6.689 3.426) 7.515 2.862 ( 0.000 2.769 -2.304) 3.602 2.980 ( 0.000 -5.632 -0.414) 5.647 3.025 ( 0.000 -0.544 7.859) 7.877 3.048 ( 0.000 -4.735 10.880) 11.865 3.294 ( 0.000 17.394 -0.301) 17.397 3.461 ( 0.000 -1.923 -2.780) 3.380 3.605 ( 0.000 -1.200 3.182) 3.401 3.617 ( 0.000 -1.764 1.732) 2.472 3.679 ( 0.000 4.263 2.819) 5.110 3.765 ( 0.000 -3.135 -3.508) 4.705 3.900 ( 0.000 5.549 1.247) 5.688 3.988 ( 0.000 1.430 8.509) 8.628 4.021 ( 0.000 -1.603 7.826) 7.988 4.074 ( 0.000 -11.119 5.408) 12.365 4.250 ( 0.000 8.170 0.702) 8.200 4.396 ( 0.000 -6.250 0.353) 6.260 4.465 ( 0.000 7.714 -2.384) 8.074 4.526 ( 0.000 11.056 2.114) 11.256 4.613 ( 0.000 -5.472 -7.352) 9.165 4.764 ( 0.000 -13.344 3.175) 13.716 5.025 ( 0.000 0.946 -1.503) 1.776 5.060 ( 0.000 -2.271 -11.344) 11.569 6.182 ( 0.000 1.916 7.605) 7.843 6.184 ( 0.000 2.268 12.715) 12.915 6.568 ( 0.000 10.553 -4.112) 11.326 6.758 ( 0.000 -7.315 -5.821) 9.348 6.769 ( 0.000 6.838 3.519) 7.690 6.906 ( 0.000 -6.926 2.677) 7.426 7.066 ( 0.000 3.471 -6.546) 7.409 7.133 ( 0.000 -3.095 -5.197) 6.049 7.339 ( 0.000 1.366 2.200) 2.590 7.395 ( 0.000 -4.162 4.063) 5.817 7.476 ( 0.000 6.938 -4.057) 8.037 7.628 ( 0.000 -7.145 -6.479) 9.645 7.753 ( 0.000 0.512 2.582) 2.633 7.800 ( 0.000 -5.254 3.532) 6.331 7.874 ( 0.000 1.137 -1.867) 2.186 7.951 ( 0.000 -7.806 -1.929) 8.041 8.583 ( 0.000 5.627 0.982) 5.712 8.606 ( 0.000 0.925 3.119) 3.253 8.715 ( 0.000 11.487 -4.763) 12.435 8.883 ( 0.000 -4.826 -9.085) 10.288 8.950 ( 0.000 12.069 7.490) 14.204 9.281 ( 0.000 -19.469 5.626) 20.265 9.395 ( 0.000 6.866 -9.031) 11.345 9.586 ( 0.000 -12.648 -5.787) 13.909 10.315 ( 0.000 2.059 7.424) 7.705 10.366 ( 0.000 -3.263 8.793) 9.379 10.511 ( 0.000 7.475 -1.407) 7.607 10.664 ( 0.000 -8.029 -3.186) 8.638 12.444 ( 0.000 9.824 6.930) 12.022 12.623 ( 0.000 -7.941 5.166) 9.473 12.885 ( 0.000 3.504 -9.723) 10.335 12.947 ( 0.000 -2.667 -6.506) 7.032 13.632 ( 0.000 12.395 8.796) 15.199 13.870 ( 0.000 -11.622 7.599) 13.886 14.144 ( 0.000 13.008 -12.050) 17.732 14.371 ( 0.000 -10.033 -12.340) 15.904 14.796 ( 0.000 0.830 6.655) 6.707 14.834 ( 0.000 -3.385 10.467) 11.001 15.048 ( 0.000 6.965 -3.884) 7.975 15.188 ( 0.000 -7.213 -4.777) 8.651 15.681 ( 0.000 3.641 7.493) 8.331 15.755 ( 0.000 -3.674 10.149) 10.794 16.081 ( 0.000 8.533 -6.689) 10.842 16.234 ( 0.000 -6.785 -7.287) 9.956 23.967 ( 0.000 1.860 1.595) 2.450 24.010 ( 0.000 -2.472 1.044) 2.684 24.064 ( 0.000 0.195 -2.169) 2.178 24.076 ( 0.000 -0.911 -1.811) 2.027 24.574 ( 0.000 2.201 13.252) 13.434 24.599 ( 0.000 -0.469 10.571) 10.581 25.191 ( 0.000 6.596 -10.955) 12.787 25.309 ( 0.000 -4.769 -14.646) 15.403 26.484 ( 0.000 -0.738 3.639) 3.713 26.490 ( 0.000 -1.445 2.811) 3.161 26.635 ( 0.000 0.595 -2.576) 2.644 26.666 ( 0.000 -2.316 -3.303) 4.034 27.083 ( 0.000 1.480 7.133) 7.285 27.088 ( 0.000 0.460 11.445) 11.454 27.436 ( 0.000 9.101 -5.607) 10.689 27.611 ( 0.000 -8.857 -8.124) 12.019 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 2.579 9.031 0.566) 9.409 1.596 ( 2.445 -3.921 -1.737) 4.937 1.644 ( 0.915 3.823 -2.341) 4.575 1.674 ( -3.304 0.245 -5.346) 6.290 1.898 ( 6.937 11.168 3.591) 13.629 2.088 ( 5.611 -2.588 2.125) 6.534 2.178 ( 0.640 13.609 -3.889) 14.168 2.257 ( -0.306 6.581 -7.312) 9.842 2.437 ( -1.914 0.340 -1.196) 2.282 2.526 ( -0.936 -8.837 -1.247) 8.974 2.581 ( -3.083 3.991 -3.170) 5.957 2.680 ( 2.729 0.176 1.048) 2.928 2.733 ( -3.735 -4.838 -3.079) 6.844 2.851 ( 9.739 -2.527 2.452) 10.356 2.960 ( 6.491 -3.386 -0.746) 7.359 3.011 ( 7.895 -5.857 4.342) 10.746 3.150 ( 8.585 -0.274 6.087) 10.528 3.172 ( 10.524 -2.012 6.582) 12.575 3.373 ( 4.825 9.860 -1.315) 11.056 3.472 ( 0.686 -1.743 -3.091) 3.614 3.592 ( 1.734 5.419 2.025) 6.039 3.680 ( 6.454 -1.710 3.900) 7.733 3.751 ( 5.991 1.686 -0.756) 6.269 3.779 ( 0.997 -0.528 -4.972) 5.098 3.958 ( 4.650 4.523 4.297) 7.781 4.042 ( 5.119 0.238 8.521) 9.944 4.060 ( 5.048 -0.969 7.137) 8.796 4.150 ( 6.044 -9.449 5.570) 12.523 4.313 ( 6.283 6.460 0.273) 9.015 4.393 ( 0.283 1.622 -0.909) 1.880 4.499 ( 3.602 0.701 -1.848) 4.108 4.543 ( 1.754 4.981 -4.312) 6.817 4.684 ( 7.855 -0.884 -1.389) 8.026 4.821 ( 6.459 -11.843 1.533) 13.577 4.985 ( -2.389 3.649 -2.453) 5.004 5.081 ( 1.754 -4.850 -6.596) 8.373 6.107 ( -5.663 4.355 10.207) 12.459 6.149 ( -3.178 -0.036 6.522) 7.255 6.509 ( -5.215 7.885 -4.707) 10.561 6.636 ( -10.303 -3.824 -6.455) 12.746 6.841 ( 5.814 7.039 3.574) 9.804 6.965 ( 5.537 -5.445 2.622) 8.196 7.103 ( 2.563 2.565 -4.855) 6.060 7.158 ( 2.030 -2.946 -3.613) 5.084 7.314 ( -2.185 1.077 1.946) 3.117 7.351 ( -3.688 -2.228 2.367) 4.916 7.466 ( -1.296 3.857 -4.244) 5.879 7.528 ( -6.683 -1.535 -5.230) 8.624 7.760 ( 0.260 1.340 3.765) 4.004 7.811 ( 1.873 -4.199 3.233) 5.621 7.951 ( 0.772 -5.520 -1.977) 5.914 7.975 ( 4.470 -8.288 -2.904) 9.854 8.613 ( 2.814 6.729 2.634) 7.755 8.647 ( 3.503 2.784 2.102) 4.944 8.768 ( 4.432 10.871 -4.353) 12.520 8.924 ( 3.151 -3.242 -7.367) 8.644 8.960 ( 1.064 9.528 6.326) 11.486 9.280 ( -0.240 -18.982 5.102) 19.657 9.400 ( 0.548 3.944 -8.367) 9.266 9.572 ( -1.401 -13.081 -5.255) 14.167 10.268 ( -4.511 1.682 7.116) 8.592 10.311 ( -5.240 -2.615 7.899) 9.833 10.472 ( -3.849 6.274 -1.549) 7.522 10.604 ( -5.852 -7.028 -3.384) 9.751 12.425 ( -1.838 9.849 6.111) 11.736 12.604 ( -1.842 -7.808 4.794) 9.346 12.797 ( -7.738 5.808 -7.470) 12.223 12.905 ( -4.004 -4.881 -5.833) 8.595 13.470 ( -13.338 12.576 8.317) 20.130 13.703 ( -13.695 -10.995 7.710) 19.180 14.005 ( -10.570 12.529 -13.012) 20.928 14.236 ( -11.230 -10.796 -13.453) 20.582 14.890 ( 8.678 2.217 9.889) 13.342 14.935 ( 7.435 -2.357 11.827) 14.168 15.265 ( 17.070 4.871 -5.431) 18.564 15.374 ( 13.731 -5.766 -6.096) 16.092 15.722 ( 4.055 2.137 6.636) 8.065 15.776 ( 2.392 -3.158 9.107) 9.931 16.078 ( 0.112 8.223 -6.166) 10.279 16.232 ( -0.258 -7.050 -7.159) 10.050 23.968 ( 0.098 1.880 1.657) 2.508 24.012 ( 0.142 -2.497 1.140) 2.748 24.068 ( 0.467 0.550 -2.191) 2.306 24.087 ( 0.948 -1.249 -2.083) 2.608 24.559 ( -1.339 2.527 12.399) 12.725 24.590 ( -0.831 -0.708 10.082) 10.141 25.145 ( -4.391 5.326 -10.092) 12.227 25.228 ( -7.114 -2.440 -12.536) 14.618 26.447 ( -2.618 0.813 3.114) 4.149 26.481 ( -1.386 -2.581 3.145) 4.298 26.616 ( -1.652 0.644 -3.455) 3.883 26.652 ( -1.361 -2.902 -3.083) 4.448 27.099 ( 1.692 2.796 9.314) 9.870 27.135 ( 4.005 -0.605 8.487) 9.404 27.484 ( 3.600 6.615 -5.837) 9.528 27.629 ( 2.010 -7.887 -8.179) 11.539 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.361 7.958 -3.447) 8.779 1.561 ( -1.778 7.727 -4.137) 8.943 1.645 ( 1.830 -5.175 -2.778) 6.152 1.687 ( 0.874 -4.810 -3.058) 5.767 2.006 ( 2.736 11.695 4.719) 12.904 2.136 ( -1.633 1.274 2.229) 3.043 2.205 ( 2.584 9.040 -1.494) 9.520 2.235 ( -0.274 4.984 -1.720) 5.280 2.371 ( -2.122 2.785 0.305) 3.515 2.501 ( -0.358 -6.058 -4.057) 7.300 2.583 ( 0.747 -0.980 0.217) 1.251 2.685 ( 0.122 -10.746 -4.948) 11.831 2.738 ( 2.114 9.721 4.116) 10.767 3.004 ( 3.742 -11.435 6.825) 13.833 3.107 ( 8.277 6.037 -1.279) 10.324 3.234 ( 8.864 -4.361 2.852) 10.282 3.284 ( 2.890 1.128 2.867) 4.225 3.357 ( 3.670 -4.468 3.154) 6.586 3.404 ( 1.742 2.207 1.805) 3.341 3.454 ( 1.423 -3.366 2.080) 4.205 3.763 ( 0.769 1.623 -4.375) 4.729 3.774 ( 6.047 3.531 -3.484) 7.821 3.870 ( 7.501 0.744 -5.164) 9.137 3.894 ( 12.783 1.485 -1.057) 12.913 4.052 ( 4.061 7.822 7.840) 11.796 4.175 ( 6.207 1.660 4.702) 7.962 4.196 ( 6.348 -1.477 4.899) 8.154 4.248 ( 3.868 -5.804 5.278) 8.746 4.418 ( 4.169 1.880 1.292) 4.752 4.490 ( 6.327 -2.870 -1.120) 7.037 4.582 ( 6.557 3.709 -4.065) 8.560 4.640 ( 7.811 -0.827 -3.449) 8.578 4.966 ( 19.765 1.873 -0.754) 19.867 4.988 ( 7.205 8.330 1.835) 11.166 5.081 ( 18.660 -8.146 1.144) 20.393 5.174 ( 9.435 -7.289 -0.549) 11.935 6.010 ( -3.170 6.108 5.555) 8.844 6.088 ( -2.276 -1.866 3.450) 4.535 6.394 ( -5.628 3.247 -5.535) 8.536 6.424 ( -9.542 0.880 -6.668) 11.674 6.955 ( 4.978 8.605 3.071) 10.405 7.087 ( 5.632 -4.767 2.136) 7.681 7.143 ( 1.227 2.169 -2.600) 3.601 7.192 ( 0.967 -3.286 -1.067) 3.588 7.265 ( -2.572 -0.533 1.551) 3.050 7.281 ( -2.517 -1.068 1.035) 2.924 7.386 ( -4.866 3.367 -4.308) 7.320 7.461 ( -1.202 -0.454 -5.500) 5.648 7.766 ( -0.303 0.358 4.584) 4.608 7.818 ( -1.650 -5.322 3.241) 6.446 7.937 ( -2.168 -3.532 -1.249) 4.328 8.021 ( -0.788 -9.400 -4.269) 10.354 8.673 ( 2.614 8.669 4.458) 10.092 8.719 ( 3.118 6.801 1.622) 7.655 8.851 ( 3.121 12.018 -4.092) 13.074 8.959 ( 0.553 3.452 5.877) 6.838 8.998 ( 1.844 0.721 -4.586) 4.995 9.270 ( -0.643 -19.488 4.069) 19.919 9.412 ( 0.223 -1.529 -7.251) 7.414 9.535 ( -2.018 -13.968 -4.625) 14.852 10.146 ( -7.350 1.331 6.642) 9.995 10.183 ( -6.717 -2.270 6.033) 9.309 10.369 ( -5.993 3.687 -2.292) 7.400 10.448 ( -8.974 -4.374 -3.655) 10.632 12.375 ( -2.969 9.857 4.362) 11.180 12.554 ( -2.926 -7.242 3.881) 8.721 12.628 ( -8.087 8.840 -4.156) 12.682 12.809 ( -4.935 -8.559 -4.679) 10.932 13.204 ( -11.766 12.536 8.659) 19.251 13.431 ( -12.023 -10.422 8.219) 17.909 13.802 ( -9.183 11.662 -14.299) 20.611 14.018 ( -9.466 -10.178 -14.558) 20.128 15.035 ( 3.627 2.403 13.661) 14.338 15.071 ( 6.387 -0.832 12.942) 14.456 15.584 ( 11.967 2.425 -7.091) 14.120 15.601 ( 8.491 0.804 -8.150) 11.797 15.816 ( 4.702 1.348 7.126) 8.643 15.870 ( 6.896 -3.787 4.939) 9.289 16.115 ( 4.137 3.659 -4.530) 7.143 16.226 ( -0.147 -6.724 -6.645) 9.455 23.970 ( 0.145 1.939 1.808) 2.655 24.016 ( 0.226 -2.570 1.416) 2.943 24.082 ( 0.880 1.028 -2.513) 2.854 24.110 ( 1.249 -1.686 -2.411) 3.196 24.526 ( -1.763 3.159 10.498) 11.104 24.569 ( -1.176 -1.247 8.900) 9.064 25.031 ( -6.380 3.730 -8.115) 10.976 25.075 ( -7.289 -0.337 -9.298) 11.819 26.396 ( -2.342 1.848 2.922) 4.176 26.447 ( -1.678 -3.333 2.904) 4.729 26.577 ( -2.091 0.783 -3.965) 4.551 26.617 ( -1.884 -3.243 -3.226) 4.947 27.139 ( 2.137 5.397 8.372) 10.188 27.226 ( 4.587 -3.005 8.004) 9.702 27.533 ( 1.063 6.638 -5.983) 9.000 27.693 ( 3.794 -9.242 -8.213) 12.933 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -3.502 11.841 -1.543) 12.444 1.588 ( 1.721 5.188 -7.795) 9.521 1.652 ( -0.882 -9.083 -3.354) 9.722 1.699 ( 0.216 -3.740 -5.287) 6.479 2.031 ( 0.811 7.706 5.778) 9.665 2.097 ( -1.447 2.702 3.973) 5.018 2.236 ( 0.399 5.847 -2.015) 6.198 2.255 ( 1.449 4.529 -1.767) 5.073 2.389 ( 3.743 3.697 1.928) 5.603 2.510 ( 0.835 -5.652 -3.187) 6.542 2.578 ( -1.468 0.515 0.507) 1.636 2.690 ( -0.214 -2.607 3.987) 4.768 2.799 ( 4.171 4.508 -0.941) 6.213 3.031 ( -1.295 -7.168 9.863) 12.261 3.199 ( 0.243 2.910 3.181) 4.318 3.266 ( 0.662 4.328 -3.489) 5.598 3.295 ( -2.127 -3.845 3.012) 5.327 3.399 ( 3.450 -4.840 -2.656) 6.510 3.486 ( 3.899 2.429 3.176) 5.585 3.540 ( 4.555 -3.898 1.393) 6.155 3.723 ( -3.024 0.427 -5.565) 6.348 3.775 ( -2.945 -3.683 2.749) 5.459 4.044 ( 5.865 4.248 -8.018) 10.804 4.088 ( 3.442 -0.418 -2.472) 4.258 4.129 ( 5.872 5.703 4.208) 9.203 4.217 ( -0.965 -1.419 4.844) 5.139 4.270 ( 1.670 2.194 0.310) 2.774 4.317 ( 2.025 -2.242 1.478) 3.363 4.509 ( 4.058 -0.465 3.432) 5.335 4.553 ( 1.710 -4.734 2.903) 5.811 4.741 ( 6.460 2.115 -5.176) 8.544 4.780 ( 5.174 -1.334 -3.468) 6.369 5.248 ( 16.291 9.342 9.051) 20.847 5.394 ( 13.542 -2.458 6.204) 15.097 5.452 ( 22.351 1.471 1.244) 22.434 5.544 ( 20.720 -4.892 -0.242) 21.291 6.001 ( 2.317 5.600 -1.096) 6.159 6.072 ( 0.635 -1.382 -0.460) 1.590 6.294 ( -2.547 2.241 -7.035) 7.810 6.311 ( -2.182 0.087 -7.129) 7.456 7.022 ( 1.590 9.916 2.590) 10.372 7.147 ( 0.082 -0.464 -0.415) 0.628 7.156 ( 0.172 -1.324 -0.139) 1.343 7.194 ( -0.553 -3.016 -0.112) 3.068 7.223 ( -1.596 -1.637 0.642) 2.375 7.261 ( 0.598 -3.572 2.266) 4.273 7.323 ( -1.566 4.414 -3.287) 5.721 7.426 ( -2.823 -2.069 -4.009) 5.322 7.728 ( -4.149 -1.304 4.239) 6.073 7.750 ( -3.731 -4.447 2.885) 6.482 7.865 ( -4.657 -3.165 -1.526) 5.834 7.944 ( -5.675 -8.394 -3.666) 10.775 8.707 ( 0.834 9.154 5.928) 10.937 8.762 ( 1.189 11.578 1.217) 11.702 8.883 ( 0.280 13.970 -3.525) 14.411 8.960 ( -0.294 0.057 8.220) 8.226 9.018 ( 0.426 2.248 -5.232) 5.711 9.261 ( -0.178 -21.578 3.021) 21.790 9.405 ( -0.532 -3.833 -6.693) 7.731 9.500 ( -1.484 -14.568 -5.253) 15.557 10.006 ( -5.673 2.760 5.866) 8.614 10.072 ( -3.929 -3.863 5.156) 7.546 10.256 ( -4.847 1.327 -3.333) 6.030 10.289 ( -5.818 -1.937 -3.326) 6.976 12.319 ( -2.350 9.892 3.081) 10.624 12.494 ( -3.367 6.171 -1.192) 7.130 12.507 ( -3.174 -2.756 1.934) 4.627 12.730 ( -2.636 -11.297 -4.110) 12.307 13.027 ( -5.792 12.455 9.186) 16.524 13.251 ( -5.841 -10.164 8.738) 14.621 13.652 ( -5.526 12.083 -14.274) 19.501 13.874 ( -4.859 -10.409 -15.093) 18.967 15.066 ( 0.299 4.989 13.496) 14.392 15.158 ( 2.345 -3.768 14.987) 15.630 15.660 ( 0.512 10.260 -8.929) 13.611 15.771 ( 5.265 -0.148 -7.118) 8.854 15.906 ( 3.809 2.455 4.471) 6.366 16.002 ( 5.228 -6.641 4.163) 9.422 16.219 ( 4.957 -2.639 -3.611) 6.676 16.231 ( 0.624 -4.140 -5.720) 7.088 23.973 ( 0.107 2.020 1.962) 2.818 24.020 ( 0.186 -2.666 1.767) 3.204 24.099 ( 0.717 1.337 -2.901) 3.274 24.133 ( 0.909 -1.946 -2.590) 3.365 24.496 ( -1.183 3.612 8.790) 9.577 24.548 ( -0.845 -1.739 7.691) 7.930 24.924 ( -3.747 2.789 -6.546) 8.041 24.952 ( -4.766 -0.055 -7.169) 8.609 26.359 ( -1.233 2.284 2.795) 3.815 26.420 ( -0.927 -3.879 2.716) 4.825 26.541 ( -1.339 1.160 -4.032) 4.404 26.584 ( -1.293 -3.114 -3.222) 4.664 27.176 ( 1.380 7.362 7.328) 10.478 27.303 ( 2.812 -5.127 7.836) 9.777 27.539 ( -0.130 9.648 -5.754) 11.234 27.755 ( 2.188 -12.127 -8.086) 14.739 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 13.130 -0.910) 13.162 1.611 ( 0.000 5.989 -10.549) 12.131 1.635 ( 0.000 -12.044 -2.406) 12.282 1.699 ( 0.000 -3.364 -6.024) 6.900 2.042 ( 0.000 6.284 6.148) 8.791 2.083 ( 0.000 3.447 4.535) 5.696 2.238 ( 0.000 5.496 -2.308) 5.961 2.270 ( 0.000 3.188 -2.557) 4.086 2.462 ( -0.000 -0.644 5.403) 5.442 2.521 ( 0.000 -5.118 -2.527) 5.708 2.538 ( 0.000 4.111 -3.578) 5.450 2.685 ( 0.000 2.922 9.252) 9.703 2.866 ( -0.000 -0.630 -5.360) 5.396 2.986 ( 0.000 0.722 12.774) 12.795 3.210 ( 0.000 -4.937 4.875) 6.938 3.233 ( -0.000 -3.609 3.120) 4.770 3.305 ( 0.000 5.701 -6.448) 8.606 3.427 ( 0.000 -1.994 1.054) 2.256 3.549 ( -0.000 1.446 -5.465) 5.653 3.591 ( 0.000 -1.877 -1.623) 2.481 3.673 ( 0.000 -0.755 -3.663) 3.740 3.732 ( 0.000 -3.775 9.419) 10.147 4.097 ( 0.000 3.351 -7.921) 8.600 4.121 ( 0.000 -0.208 -0.428) 0.476 4.194 ( 0.000 -0.635 5.099) 5.139 4.194 ( -0.000 0.342 -0.778) 0.850 4.283 ( 0.000 2.404 -0.544) 2.464 4.332 ( -0.000 -2.087 0.354) 2.117 4.559 ( -0.000 -0.831 4.291) 4.370 4.567 ( 0.000 -1.780 4.771) 5.092 4.806 ( -0.000 0.551 -4.079) 4.116 4.835 ( 0.000 -1.127 -4.851) 4.980 5.442 ( -0.000 6.497 12.327) 13.934 5.519 ( 0.000 -1.244 10.509) 10.582 5.744 ( -0.000 0.807 2.134) 2.281 5.750 ( 0.000 0.179 -0.117) 0.214 6.056 ( -0.000 3.986 -7.254) 8.277 6.076 ( 0.000 1.703 -1.822) 2.494 6.296 ( 0.000 1.444 -7.655) 7.790 6.304 ( 0.000 -0.213 -9.250) 9.252 7.032 ( 0.000 10.035 2.671) 10.385 7.146 ( 0.000 -2.470 -0.108) 2.472 7.148 ( 0.000 2.138 -1.201) 2.453 7.182 ( 0.000 -2.545 -0.616) 2.619 7.201 ( 0.000 -0.605 1.327) 1.458 7.281 ( 0.000 -7.086 2.953) 7.677 7.318 ( -0.000 0.780 -3.451) 3.538 7.368 ( 0.000 -3.695 -0.776) 3.776 7.658 ( 0.000 0.632 3.040) 3.105 7.712 ( 0.000 -5.485 3.338) 6.421 7.796 ( 0.000 -1.150 -2.201) 2.483 7.879 ( 0.000 -8.207 -2.681) 8.634 8.714 ( 0.000 8.629 6.482) 10.793 8.772 ( 0.000 14.058 0.937) 14.089 8.881 ( 0.000 13.012 -2.335) 13.220 8.956 ( 0.000 0.152 7.319) 7.321 9.022 ( 0.000 2.935 -4.920) 5.729 9.260 ( 0.000 -22.271 2.510) 22.412 9.400 ( -0.000 -4.571 -7.099) 8.443 9.482 ( 0.000 -14.445 -5.425) 15.430 9.946 ( 0.000 3.808 5.518) 6.705 10.033 ( 0.000 -4.918 5.089) 7.077 10.200 ( 0.000 1.389 -3.923) 4.161 10.234 ( 0.000 -2.042 -2.825) 3.486 12.293 ( 0.000 9.923 2.731) 10.292 12.455 ( 0.000 12.569 -2.922) 12.904 12.479 ( 0.000 -8.698 3.945) 9.551 12.705 ( 0.000 -12.532 -4.011) 13.158 12.970 ( 0.000 12.633 9.256) 15.661 13.194 ( 0.000 -10.080 8.900) 13.447 13.594 ( 0.000 12.632 -14.005) 18.860 13.825 ( 0.000 -10.789 -15.151) 18.601 15.067 ( 0.000 5.808 13.191) 14.413 15.178 ( 0.000 -5.010 15.538) 16.326 15.660 ( 0.000 13.028 -9.093) 15.888 15.821 ( 0.000 -0.717 -6.719) 6.757 15.946 ( 0.000 1.974 3.153) 3.720 16.056 ( 0.000 -7.699 4.183) 8.762 16.241 ( 0.000 -2.124 -5.249) 5.662 16.273 ( 0.000 -4.354 -3.525) 5.602 23.974 ( -0.000 2.062 2.027) 2.892 24.022 ( 0.000 -2.713 1.936) 3.333 24.107 ( 0.000 1.446 -3.060) 3.385 24.142 ( 0.000 -2.029 -2.643) 3.332 24.483 ( 0.000 3.754 8.131) 8.955 24.539 ( 0.000 -1.928 7.174) 7.429 24.893 ( 0.000 1.418 -6.670) 6.819 24.895 ( -0.000 0.931 -5.773) 5.847 26.347 ( 0.000 2.409 2.744) 3.651 26.411 ( 0.000 -4.076 2.652) 4.863 26.527 ( 0.000 1.330 -4.031) 4.245 26.571 ( 0.000 -3.005 -3.159) 4.360 27.190 ( 0.000 8.053 6.912) 10.613 27.332 ( 0.000 -6.001 7.795) 9.837 27.536 ( 0.000 11.053 -5.623) 12.401 27.777 ( 0.000 -13.246 -7.986) 15.467 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 0.000 -18.831) 18.831 1.178 ( 0.000 0.000 18.831) 18.831 1.232 ( 0.000 0.000 -25.127) 25.127 1.232 ( 0.000 0.000 25.127) 25.127 1.451 ( 0.000 0.000 -3.217) 3.217 1.451 ( 0.000 0.000 3.217) 3.217 1.834 ( 0.000 0.000 -5.913) 5.913 1.834 ( 0.000 0.000 5.913) 5.913 2.317 ( 0.000 0.000 -30.600) 30.600 2.317 ( 0.000 0.000 30.600) 30.600 2.717 ( 0.000 0.000 -5.620) 5.620 2.717 ( 0.000 0.000 5.620) 5.620 2.744 ( 0.000 0.000 -4.696) 4.696 2.744 ( 0.000 0.000 4.696) 4.696 3.105 ( 0.000 0.000 -1.929) 1.929 3.105 ( 0.000 0.000 1.929) 1.929 3.183 ( 0.000 0.000 -4.715) 4.715 3.183 ( 0.000 0.000 4.715) 4.715 3.474 ( 0.000 0.000 -2.156) 2.156 3.474 ( 0.000 0.000 2.156) 2.156 3.559 ( 0.000 0.000 -5.734) 5.734 3.559 ( 0.000 0.000 5.734) 5.734 3.747 ( 0.000 0.000 -14.841) 14.841 3.747 ( 0.000 0.000 14.841) 14.841 4.083 ( 0.000 0.000 -0.236) 0.236 4.083 ( 0.000 0.000 0.236) 0.236 4.114 ( 0.000 0.000 -8.891) 8.891 4.114 ( 0.000 0.000 8.891) 8.891 4.227 ( 0.000 0.000 -0.911) 0.911 4.227 ( 0.000 0.000 0.911) 0.911 4.600 ( 0.000 0.000 -0.993) 0.993 4.600 ( 0.000 0.000 0.993) 0.993 4.715 ( 0.000 0.000 -23.130) 23.130 4.715 ( 0.000 0.000 23.130) 23.130 5.158 ( 0.000 0.000 -6.126) 6.126 5.158 ( 0.000 0.000 6.126) 6.126 5.881 ( 0.000 0.000 -6.355) 6.355 5.881 ( 0.000 0.000 6.355) 6.355 6.172 ( 0.000 0.000 -4.886) 4.886 6.172 ( 0.000 0.000 4.886) 4.886 6.695 ( 0.000 0.000 -8.354) 8.354 6.695 ( 0.000 0.000 8.354) 8.354 7.111 ( 0.000 0.000 -3.150) 3.150 7.111 ( 0.000 0.000 3.150) 3.150 7.393 ( 0.000 0.000 -1.642) 1.642 7.393 ( 0.000 0.000 1.642) 1.642 7.675 ( 0.000 0.000 -0.362) 0.362 7.675 ( 0.000 0.000 0.362) 0.362 7.850 ( 0.000 0.000 -2.419) 2.419 7.850 ( 0.000 0.000 2.419) 2.419 8.159 ( 0.000 0.000 -2.197) 2.197 8.159 ( 0.000 0.000 2.197) 2.197 8.657 ( 0.000 0.000 -0.860) 0.860 8.657 ( 0.000 0.000 0.860) 0.860 8.858 ( 0.000 0.000 -4.985) 4.985 8.858 ( 0.000 0.000 4.985) 4.985 8.964 ( 0.000 0.000 -10.099) 10.099 8.964 ( 0.000 0.000 10.099) 10.099 10.072 ( 0.000 0.000 -1.034) 1.034 10.072 ( 0.000 0.000 1.034) 1.034 10.191 ( 0.000 0.000 -1.665) 1.665 10.191 ( 0.000 0.000 1.665) 1.665 10.791 ( 0.000 0.000 -10.923) 10.923 10.791 ( 0.000 0.000 10.923) 10.923 12.498 ( 0.000 0.000 -0.150) 0.150 12.498 ( 0.000 0.000 0.150) 0.150 12.921 ( 0.000 0.000 -4.128) 4.128 12.921 ( 0.000 0.000 4.128) 4.128 13.234 ( 0.000 0.000 -10.547) 10.547 13.234 ( 0.000 0.000 10.547) 10.547 14.502 ( 0.000 0.000 -12.572) 12.572 14.502 ( 0.000 0.000 12.572) 12.572 14.721 ( 0.000 0.000 -3.711) 3.711 14.721 ( 0.000 0.000 3.711) 3.711 15.505 ( 0.000 0.000 -0.192) 0.192 15.505 ( 0.000 0.000 0.192) 0.192 15.637 ( 0.000 0.000 -0.473) 0.473 15.637 ( 0.000 0.000 0.473) 0.473 16.183 ( 0.000 0.000 -12.812) 12.812 16.183 ( 0.000 0.000 12.812) 12.812 24.021 ( 0.000 0.000 -4.235) 4.235 24.021 ( 0.000 0.000 4.235) 4.235 24.111 ( 0.000 0.000 -0.867) 0.867 24.111 ( 0.000 0.000 0.867) 0.867 24.711 ( 0.000 0.000 -2.902) 2.902 24.711 ( 0.000 0.000 2.902) 2.902 24.760 ( 0.000 0.000 -8.842) 8.842 24.760 ( 0.000 0.000 8.842) 8.842 26.674 ( 0.000 0.000 -5.901) 5.901 26.674 ( 0.000 0.000 5.901) 5.901 26.738 ( 0.000 0.000 -1.015) 1.015 26.738 ( 0.000 0.000 1.015) 1.015 26.900 ( 0.000 0.000 -3.026) 3.026 26.900 ( 0.000 0.000 3.026) 3.026 27.727 ( 0.000 0.000 -6.480) 6.480 27.727 ( 0.000 0.000 6.480) 6.480 ======================= Grid point 128 (42/60) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -2.175 0.000 -1.395) 2.584 1.151 ( -2.175 0.000 1.395) 2.584 1.365 ( 6.661 0.000 -7.179) 9.793 1.365 ( 6.661 0.000 7.179) 9.793 1.557 ( 11.561 0.000 -7.966) 14.039 1.557 ( 11.561 0.000 7.966) 14.039 1.819 ( -0.424 0.000 -5.490) 5.506 1.819 ( -0.424 0.000 5.490) 5.506 2.410 ( 6.025 0.000 -23.880) 24.628 2.410 ( 6.025 0.000 23.880) 24.628 2.637 ( -0.862 0.000 -2.441) 2.589 2.637 ( -0.862 0.000 2.441) 2.589 2.899 ( 7.454 0.000 -6.511) 9.897 2.899 ( 7.454 0.000 6.511) 9.897 3.113 ( 5.388 0.000 -2.598) 5.981 3.113 ( 5.388 0.000 2.598) 5.981 3.210 ( 1.599 0.000 -0.896) 1.833 3.210 ( 1.599 0.000 0.896) 1.833 3.462 ( 0.883 0.000 -0.730) 1.145 3.462 ( 0.883 0.000 0.730) 1.145 3.659 ( 6.255 0.000 -4.139) 7.500 3.659 ( 6.255 0.000 4.139) 7.500 3.836 ( 6.333 0.000 -5.347) 8.289 3.836 ( 6.333 0.000 5.347) 8.289 4.082 ( -0.776 0.000 -0.024) 0.777 4.082 ( -0.776 0.000 0.024) 0.777 4.158 ( 1.542 0.000 -0.892) 1.782 4.158 ( 1.542 0.000 0.892) 1.782 4.243 ( 6.156 0.000 -3.312) 6.991 4.243 ( 6.156 0.000 3.312) 6.991 4.601 ( -0.015 0.000 -1.436) 1.436 4.601 ( -0.015 0.000 1.436) 1.436 4.712 ( 3.713 0.000 -17.788) 18.171 4.712 ( 3.713 0.000 17.788) 18.171 5.152 ( -0.560 0.000 -5.631) 5.659 5.152 ( -0.560 0.000 5.631) 5.659 5.844 ( -2.815 0.000 -7.210) 7.740 5.844 ( -2.815 0.000 7.210) 7.740 6.173 ( -0.016 0.000 -5.020) 5.020 6.173 ( -0.016 0.000 5.020) 5.020 6.715 ( 1.781 0.000 -8.353) 8.541 6.715 ( 1.781 0.000 8.353) 8.541 7.130 ( 1.651 0.000 -2.812) 3.260 7.130 ( 1.651 0.000 2.812) 3.260 7.395 ( 0.376 0.000 -1.306) 1.359 7.395 ( 0.376 0.000 1.306) 1.359 7.543 ( -7.548 0.000 -0.207) 7.551 7.543 ( -7.548 0.000 0.207) 7.551 7.995 ( 8.686 0.000 -2.745) 9.109 7.995 ( 8.686 0.000 2.745) 9.109 8.134 ( -1.838 0.000 -3.420) 3.883 8.134 ( -1.838 0.000 3.420) 3.883 8.640 ( -2.611 0.000 -0.824) 2.738 8.640 ( -2.611 0.000 0.824) 2.738 8.964 ( 3.279 0.000 -3.575) 4.851 8.964 ( 3.279 0.000 3.575) 4.851 9.008 ( 7.862 0.000 -7.424) 10.813 9.008 ( 7.862 0.000 7.424) 10.813 10.059 ( -1.079 0.000 -1.014) 1.480 10.059 ( -1.079 0.000 1.014) 1.480 10.216 ( 2.297 0.000 -1.562) 2.778 10.216 ( 2.297 0.000 1.562) 2.778 10.702 ( -8.502 0.000 -10.116) 13.215 10.702 ( -8.502 0.000 10.116) 13.215 12.372 ( -9.942 0.000 -2.978) 10.378 12.372 ( -9.942 0.000 2.978) 10.378 12.981 ( 4.043 0.000 -3.541) 5.374 12.981 ( 4.043 0.000 3.541) 5.374 13.062 ( -13.691 0.000 -9.172) 16.479 13.062 ( -13.691 0.000 9.172) 16.479 14.308 ( -15.138 0.000 -12.615) 19.705 14.308 ( -15.138 0.000 12.615) 19.705 14.889 ( 13.132 0.000 -5.775) 14.346 14.889 ( 13.132 0.000 5.775) 14.346 15.494 ( -6.216 0.000 -0.195) 6.219 15.494 ( -6.216 0.000 0.195) 6.219 15.784 ( 16.552 0.000 -1.851) 16.655 15.784 ( 16.552 0.000 1.851) 16.655 16.200 ( 1.152 0.000 -12.472) 12.526 16.200 ( 1.152 0.000 12.472) 12.526 24.015 ( -0.543 0.000 -3.859) 3.897 24.015 ( -0.543 0.000 3.859) 3.897 24.120 ( 0.879 0.000 -1.147) 1.445 24.120 ( 0.879 0.000 1.147) 1.445 24.643 ( -4.776 0.000 -5.668) 7.412 24.643 ( -4.776 0.000 5.668) 7.412 24.770 ( -0.181 0.000 -8.727) 8.729 24.770 ( -0.181 0.000 8.727) 8.729 26.533 ( -7.060 0.000 -3.268) 7.780 26.533 ( -7.060 0.000 3.268) 7.780 26.736 ( -0.926 0.000 -1.375) 1.658 26.736 ( -0.926 0.000 1.375) 1.658 27.084 ( 10.046 0.000 -3.177) 10.536 27.084 ( 10.046 0.000 3.177) 10.536 27.698 ( -1.241 0.000 -1.061) 1.632 27.698 ( -1.241 0.000 1.061) 1.632 ======================= Grid point 130 (43/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -5.215 0.000 -0.409) 5.231 1.067 ( -5.215 0.000 0.409) 5.231 1.526 ( 9.570 0.000 -11.588) 15.029 1.526 ( 9.570 0.000 11.588) 15.029 1.739 ( 5.089 0.000 -7.174) 8.795 1.739 ( 5.089 0.000 7.174) 8.795 1.874 ( 6.167 0.000 -3.901) 7.297 1.874 ( 6.167 0.000 3.901) 7.297 2.473 ( 0.777 0.000 -12.208) 12.233 2.473 ( 0.777 0.000 12.208) 12.233 2.588 ( -4.193 0.000 -5.692) 7.070 2.588 ( -4.193 0.000 5.692) 7.070 3.066 ( 4.552 0.000 -4.573) 6.453 3.066 ( 4.552 0.000 4.573) 6.453 3.229 ( 0.349 0.000 -0.450) 0.569 3.229 ( 0.349 0.000 0.450) 0.569 3.289 ( 8.331 0.000 -11.562) 14.251 3.289 ( 8.331 0.000 11.562) 14.251 3.539 ( 7.303 0.000 -0.385) 7.313 3.539 ( 7.303 0.000 0.385) 7.313 3.824 ( 7.091 0.000 -1.946) 7.353 3.824 ( 7.091 0.000 1.946) 7.353 3.882 ( 4.381 0.000 -12.958) 13.678 3.882 ( 4.381 0.000 12.958) 13.678 4.063 ( 0.437 0.000 -0.720) 0.842 4.063 ( 0.437 0.000 0.720) 0.842 4.144 ( -1.341 0.000 -6.736) 6.868 4.144 ( -1.341 0.000 6.736) 6.868 4.496 ( 13.668 0.000 -5.442) 14.712 4.496 ( 13.668 0.000 5.442) 14.712 4.665 ( 6.199 0.000 -3.382) 7.062 4.665 ( 6.199 0.000 3.382) 7.062 4.902 ( 13.169 0.000 -9.242) 16.088 4.902 ( 13.169 0.000 9.242) 16.088 5.174 ( 5.558 0.000 -3.927) 6.806 5.174 ( 5.558 0.000 3.927) 6.806 5.800 ( -1.102 0.000 -7.796) 7.874 5.800 ( -1.102 0.000 7.796) 7.874 6.171 ( -0.079 0.000 -5.522) 5.523 6.171 ( -0.079 0.000 5.522) 5.523 6.753 ( 1.826 0.000 -8.483) 8.677 6.753 ( 1.826 0.000 8.483) 8.677 7.159 ( 0.975 0.000 -1.701) 1.960 7.159 ( 0.975 0.000 1.701) 1.960 7.410 ( -2.239 0.000 -0.900) 2.413 7.410 ( -2.239 0.000 0.900) 2.413 7.429 ( -0.230 0.000 -0.067) 0.239 7.429 ( -0.230 0.000 0.067) 0.239 8.089 ( -1.437 0.000 -5.447) 5.633 8.089 ( -1.437 0.000 5.447) 5.633 8.160 ( 6.740 0.000 -3.901) 7.788 8.160 ( 6.740 0.000 3.901) 7.788 8.564 ( -4.400 0.000 -0.376) 4.416 8.564 ( -4.400 0.000 0.376) 4.416 8.994 ( -0.671 0.000 -4.742) 4.789 8.994 ( -0.671 0.000 4.742) 4.789 9.087 ( -2.010 0.000 -10.454) 10.646 9.087 ( -2.010 0.000 10.454) 10.646 10.046 ( 0.100 0.000 -0.029) 0.105 10.046 ( 0.100 0.000 0.029) 0.105 10.264 ( 1.515 0.000 -0.597) 1.629 10.264 ( 1.515 0.000 0.597) 1.629 10.483 ( -11.841 0.000 -7.855) 14.209 10.483 ( -11.841 0.000 7.855) 14.209 12.186 ( -7.510 0.000 -4.726) 8.874 12.186 ( -7.510 0.000 4.726) 8.874 12.801 ( -11.071 0.000 -10.258) 15.093 12.801 ( -11.071 0.000 10.258) 15.093 13.030 ( 0.403 0.000 -4.721) 4.738 13.030 ( 0.403 0.000 4.721) 4.738 14.023 ( -11.985 0.000 -13.968) 18.405 14.023 ( -11.985 0.000 13.968) 18.405 15.092 ( 3.699 0.000 -0.289) 3.710 15.092 ( 3.699 0.000 0.289) 3.710 15.389 ( -0.674 0.000 -7.163) 7.195 15.389 ( -0.674 0.000 7.163) 7.195 16.114 ( 13.471 0.000 -0.257) 13.473 16.114 ( 13.471 0.000 0.257) 13.473 16.221 ( 1.768 0.000 -10.596) 10.743 16.221 ( 1.768 0.000 10.596) 10.743 24.004 ( -0.474 0.000 -3.405) 3.438 24.004 ( -0.474 0.000 3.405) 3.438 24.143 ( 1.312 0.000 -1.686) 2.136 24.143 ( 1.312 0.000 1.686) 2.136 24.556 ( -3.575 0.000 -8.124) 8.876 24.556 ( -3.575 0.000 8.124) 8.876 24.750 ( -1.560 0.000 -8.607) 8.747 24.750 ( -1.560 0.000 8.607) 8.747 26.436 ( -3.105 0.000 -3.750) 4.868 26.436 ( -3.105 0.000 3.750) 4.868 26.709 ( -1.618 0.000 -1.745) 2.379 26.709 ( -1.618 0.000 1.745) 2.379 27.167 ( -1.259 0.000 -6.544) 6.664 27.167 ( -1.259 0.000 6.544) 6.664 27.743 ( 5.375 0.000 -17.344) 18.158 27.743 ( 5.375 0.000 17.344) 18.158 ======================= Grid point 132 (44/60) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -3.054 0.000 -2.963) 4.255 0.980 ( -3.054 0.000 2.963) 4.255 1.698 ( 6.450 0.000 -5.619) 8.554 1.698 ( 6.450 0.000 5.619) 8.554 1.836 ( 4.955 0.000 -2.201) 5.422 1.836 ( 4.955 0.000 2.201) 5.422 2.009 ( 7.414 0.000 -3.804) 8.333 2.009 ( 7.414 0.000 3.804) 8.333 2.380 ( -8.469 0.000 -2.284) 8.772 2.380 ( -8.469 0.000 2.284) 8.772 2.587 ( 2.261 0.000 -3.893) 4.502 2.587 ( 2.261 0.000 3.893) 4.502 3.069 ( -1.177 0.000 -5.549) 5.673 3.069 ( -1.177 0.000 5.549) 5.673 3.231 ( -0.049 0.000 -0.144) 0.152 3.231 ( -0.049 0.000 0.144) 0.152 3.313 ( -3.946 0.000 -10.352) 11.079 3.313 ( -3.946 0.000 10.352) 11.079 3.687 ( 5.802 0.000 -4.895) 7.591 3.687 ( 5.802 0.000 4.895) 7.591 3.818 ( -0.855 0.000 -5.661) 5.725 3.818 ( -0.855 0.000 5.661) 5.725 3.980 ( -2.056 0.000 -3.579) 4.127 3.980 ( -2.056 0.000 3.579) 4.127 4.133 ( 1.826 0.000 -2.820) 3.360 4.133 ( 1.826 0.000 2.820) 3.360 4.316 ( 19.244 0.000 -9.861) 21.623 4.316 ( 19.244 0.000 9.861) 21.623 4.650 ( 2.754 0.000 -4.267) 5.078 4.650 ( 2.754 0.000 4.267) 5.078 4.797 ( 3.083 0.000 -5.263) 6.099 4.797 ( 3.083 0.000 5.263) 6.099 5.126 ( 12.969 0.000 -5.273) 14.000 5.126 ( 12.969 0.000 5.273) 14.000 5.400 ( 9.895 0.000 -2.043) 10.104 5.400 ( 9.895 0.000 2.043) 10.104 5.814 ( 2.494 0.000 -7.157) 7.579 5.814 ( 2.494 0.000 7.157) 7.579 6.173 ( 0.258 0.000 -5.907) 5.912 6.173 ( 0.258 0.000 5.907) 5.912 6.783 ( 1.096 0.000 -8.656) 8.725 6.783 ( 1.096 0.000 8.656) 8.725 7.177 ( 1.566 0.000 -0.514) 1.648 7.177 ( 1.566 0.000 0.514) 1.648 7.330 ( -4.026 0.000 -0.092) 4.027 7.330 ( -4.026 0.000 0.092) 4.027 7.508 ( 5.939 0.000 -0.541) 5.964 7.508 ( 5.939 0.000 0.541) 5.964 8.054 ( -1.905 0.000 -4.592) 4.972 8.054 ( -1.905 0.000 4.592) 4.972 8.282 ( 5.240 0.000 -2.679) 5.885 8.282 ( 5.240 0.000 2.679) 5.885 8.494 ( -2.053 0.000 -0.516) 2.117 8.494 ( -2.053 0.000 0.516) 2.117 8.798 ( -16.458 0.000 -6.458) 17.680 8.798 ( -16.458 0.000 6.458) 17.680 9.079 ( 1.126 0.000 -7.877) 7.957 9.079 ( 1.126 0.000 7.877) 7.957 10.057 ( 0.670 0.000 -1.302) 1.464 10.057 ( 0.670 0.000 1.302) 1.464 10.181 ( -8.602 0.000 -6.413) 10.729 10.181 ( -8.602 0.000 6.413) 10.729 10.366 ( 0.171 0.000 -0.032) 0.174 10.366 ( 0.171 0.000 0.032) 0.174 12.087 ( -2.700 0.000 -3.460) 4.389 12.087 ( -2.700 0.000 3.460) 4.389 12.641 ( -4.885 0.000 -13.125) 14.004 12.641 ( -4.885 0.000 13.125) 14.004 13.003 ( -2.514 0.000 -8.051) 8.435 13.003 ( -2.514 0.000 8.051) 8.435 13.851 ( -5.282 0.000 -15.485) 16.361 13.851 ( -5.282 0.000 15.485) 16.361 15.052 ( -3.881 0.000 -4.897) 6.249 15.052 ( -3.881 0.000 4.897) 6.249 15.463 ( 4.647 0.000 -12.795) 13.612 15.463 ( 4.647 0.000 12.795) 13.612 16.197 ( -0.019 0.000 -13.257) 13.257 16.197 ( -0.019 0.000 13.257) 13.257 16.367 ( 7.610 0.000 -2.362) 7.968 16.367 ( 7.610 0.000 2.362) 7.968 23.998 ( -0.176 0.000 -3.379) 3.383 23.998 ( -0.176 0.000 3.379) 3.383 24.167 ( 0.902 0.000 -2.098) 2.284 24.167 ( 0.902 0.000 2.098) 2.284 24.505 ( -1.605 0.000 -9.663) 9.796 24.505 ( -1.605 0.000 9.663) 9.796 24.718 ( -1.452 0.000 -7.127) 7.274 24.718 ( -1.452 0.000 7.127) 7.274 26.395 ( -1.194 0.000 -4.458) 4.616 26.395 ( -1.194 0.000 4.458) 4.616 26.679 ( -1.268 0.000 -2.098) 2.451 26.679 ( -1.268 0.000 2.098) 2.451 27.111 ( -2.856 0.000 -7.986) 8.482 27.111 ( -2.856 0.000 7.986) 8.482 27.852 ( 4.382 0.000 -22.190) 22.618 27.852 ( 4.382 0.000 22.190) 22.618 ======================= Grid point 134 (45/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 0.000 -4.309) 4.309 0.950 ( 0.000 0.000 4.309) 4.309 1.766 ( 0.000 0.000 -4.411) 4.411 1.766 ( 0.000 0.000 4.411) 4.411 1.889 ( 0.000 0.000 -2.681) 2.681 1.889 ( 0.000 0.000 2.681) 2.681 2.174 ( -0.000 0.000 -6.174) 6.174 2.174 ( -0.000 0.000 6.174) 6.174 2.205 ( 0.000 0.000 -1.301) 1.301 2.205 ( 0.000 0.000 1.301) 1.301 2.611 ( 0.000 0.000 -8.503) 8.503 2.611 ( 0.000 0.000 8.503) 8.503 3.065 ( 0.000 0.000 -11.047) 11.047 3.065 ( 0.000 0.000 11.047) 11.047 3.230 ( 0.000 0.000 -6.270) 6.270 3.230 ( 0.000 0.000 6.270) 6.270 3.249 ( 0.000 0.000 -0.192) 0.192 3.249 ( 0.000 0.000 0.192) 0.192 3.752 ( 0.000 0.000 -9.968) 9.968 3.752 ( -0.000 0.000 9.968) 9.968 3.808 ( 0.000 0.000 -2.544) 2.544 3.808 ( 0.000 0.000 2.544) 2.544 3.947 ( -0.000 0.000 -3.559) 3.559 3.947 ( 0.000 0.000 3.559) 3.559 4.154 ( 0.000 0.000 -0.997) 0.997 4.154 ( 0.000 0.000 0.997) 0.997 4.564 ( 0.000 0.000 -2.775) 2.775 4.564 ( 0.000 0.000 2.775) 2.775 4.650 ( 0.000 0.000 -7.745) 7.745 4.650 ( 0.000 0.000 7.745) 7.745 4.798 ( 0.000 0.000 -3.784) 3.784 4.798 ( -0.000 0.000 3.784) 3.784 5.350 ( 0.000 0.000 -12.503) 12.503 5.350 ( 0.000 0.000 12.503) 12.503 5.444 ( 0.000 0.000 -8.056) 8.056 5.444 ( 0.000 0.000 8.056) 8.056 5.850 ( 0.000 0.000 -6.943) 6.943 5.850 ( 0.000 0.000 6.943) 6.943 6.176 ( 0.000 0.000 -5.947) 5.947 6.176 ( 0.000 0.000 5.947) 5.947 6.794 ( 0.000 0.000 -8.698) 8.698 6.794 ( 0.000 0.000 8.698) 8.698 7.231 ( 0.000 0.000 -0.461) 0.461 7.231 ( -0.000 0.000 0.461) 0.461 7.254 ( 0.000 0.000 -0.285) 0.285 7.254 ( -0.000 0.000 0.285) 0.285 7.601 ( 0.000 0.000 -0.787) 0.787 7.601 ( 0.000 0.000 0.787) 0.787 8.026 ( 0.000 0.000 -4.379) 4.379 8.026 ( 0.000 0.000 4.379) 4.379 8.365 ( 0.000 0.000 -0.818) 0.818 8.365 ( 0.000 0.000 0.818) 0.818 8.476 ( 0.000 0.000 -13.805) 13.805 8.476 ( -0.000 0.000 13.805) 13.805 8.555 ( 0.000 0.000 -11.336) 11.336 8.555 ( 0.000 0.000 11.336) 11.336 9.092 ( 0.000 0.000 -8.866) 8.866 9.092 ( 0.000 0.000 8.866) 8.866 10.072 ( -0.000 0.000 -0.508) 0.508 10.072 ( -0.000 0.000 0.508) 0.508 10.073 ( 0.000 0.000 -8.182) 8.182 10.073 ( 0.000 0.000 8.182) 8.182 10.375 ( 0.000 0.000 -0.832) 0.832 10.375 ( 0.000 0.000 0.832) 0.832 12.062 ( 0.000 0.000 -2.662) 2.662 12.062 ( 0.000 0.000 2.662) 2.662 12.596 ( 0.000 0.000 -14.745) 14.745 12.596 ( 0.000 0.000 14.745) 14.745 12.969 ( 0.000 0.000 -10.011) 10.011 12.969 ( 0.000 0.000 10.011) 10.011 13.801 ( 0.000 0.000 -16.064) 16.064 13.801 ( 0.000 0.000 16.064) 16.064 15.009 ( 0.000 0.000 -4.354) 4.354 15.009 ( 0.000 0.000 4.354) 4.354 15.513 ( 0.000 0.000 -12.769) 12.769 15.513 ( 0.000 0.000 12.769) 12.769 16.195 ( 0.000 0.000 -13.607) 13.607 16.195 ( 0.000 0.000 13.607) 13.607 16.444 ( 0.000 0.000 -2.482) 2.482 16.444 ( 0.000 0.000 2.482) 2.482 23.996 ( 0.000 0.000 -3.458) 3.458 23.996 ( 0.000 0.000 3.458) 3.458 24.176 ( 0.000 0.000 -2.238) 2.238 24.176 ( 0.000 0.000 2.238) 2.238 24.490 ( 0.000 0.000 -10.335) 10.335 24.490 ( 0.000 0.000 10.335) 10.335 24.702 ( 0.000 0.000 -6.191) 6.191 24.702 ( 0.000 0.000 6.191) 6.191 26.383 ( 0.000 0.000 -4.670) 4.670 26.383 ( 0.000 0.000 4.670) 4.670 26.665 ( 0.000 0.000 -2.241) 2.241 26.665 ( 0.000 0.000 2.241) 2.241 27.080 ( 0.000 0.000 -7.391) 7.391 27.080 ( 0.000 0.000 7.391) 7.391 27.897 ( 0.000 0.000 -22.661) 22.661 27.897 ( 0.000 0.000 22.661) 22.661 ======================= Grid point 144 (46/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 9.490 -22.830) 24.724 1.330 ( 0.000 9.490 22.830) 24.724 1.359 ( 0.000 17.005 -9.710) 19.582 1.359 ( 0.000 17.005 9.710) 19.582 1.518 ( 0.000 4.078 -6.616) 7.772 1.518 ( 0.000 4.078 6.616) 7.772 1.801 ( 0.000 -3.027 -5.271) 6.078 1.801 ( 0.000 -3.027 5.271) 6.078 2.389 ( 0.000 7.339 -18.470) 19.875 2.389 ( 0.000 7.339 18.470) 19.875 2.715 ( 0.000 -0.334 -5.185) 5.195 2.715 ( 0.000 -0.334 5.185) 5.195 2.806 ( 0.000 4.640 -4.751) 6.641 2.806 ( 0.000 4.640 4.751) 6.641 3.031 ( 0.000 -4.991 -3.310) 5.989 3.031 ( 0.000 -4.991 3.310) 5.989 3.155 ( 0.000 -3.161 -5.568) 6.402 3.155 ( 0.000 -3.161 5.568) 6.402 3.445 ( 0.000 -2.823 -4.558) 5.362 3.445 ( 0.000 -2.823 4.558) 5.362 3.588 ( 0.000 1.944 -6.148) 6.448 3.588 ( 0.000 1.944 6.148) 6.448 3.720 ( 0.000 -2.116 -11.589) 11.780 3.720 ( 0.000 -2.116 11.589) 11.780 3.995 ( 0.000 -6.919 -4.503) 8.255 3.995 ( 0.000 -6.919 4.503) 8.255 4.137 ( 0.000 1.928 -9.713) 9.902 4.137 ( 0.000 1.928 9.713) 9.902 4.224 ( 0.000 1.170 -3.167) 3.376 4.224 ( 0.000 1.170 3.167) 3.376 4.581 ( 0.000 -1.945 -1.772) 2.631 4.581 ( 0.000 -1.945 1.772) 2.631 4.680 ( 0.000 -2.010 -23.071) 23.158 4.680 ( 0.000 -2.010 23.071) 23.158 5.145 ( 0.000 -1.747 -4.313) 4.653 5.145 ( 0.000 -1.747 4.313) 4.653 6.132 ( 0.000 19.374 -14.106) 23.965 6.132 ( 0.000 19.374 14.106) 23.965 6.185 ( 0.000 1.670 -5.270) 5.528 6.185 ( 0.000 1.670 5.270) 5.528 6.727 ( 0.000 3.019 -8.610) 9.124 6.727 ( 0.000 3.019 8.610) 9.124 7.105 ( 0.000 -0.648 -3.328) 3.391 7.105 ( 0.000 -0.648 3.328) 3.391 7.379 ( 0.000 -1.142 -1.251) 1.693 7.379 ( 0.000 -1.142 1.251) 1.693 7.658 ( 0.000 -1.778 -2.607) 3.155 7.658 ( 0.000 -1.778 2.607) 3.155 7.839 ( 0.000 -1.023 -2.733) 2.918 7.839 ( 0.000 -1.023 2.733) 2.918 8.228 ( 0.000 6.909 -2.351) 7.298 8.228 ( 0.000 6.909 2.351) 7.298 8.533 ( 0.000 -16.473 -5.066) 17.234 8.533 ( 0.000 -16.473 5.066) 17.234 8.740 ( 0.000 -4.380 -4.572) 6.332 8.740 ( 0.000 -4.380 4.572) 6.332 8.987 ( 0.000 2.213 -10.417) 10.650 8.987 ( 0.000 2.213 10.417) 10.650 10.022 ( 0.000 -8.467 -2.234) 8.757 10.022 ( 0.000 -8.467 2.234) 8.757 10.233 ( 0.000 5.833 -0.956) 5.910 10.233 ( 0.000 5.833 0.956) 5.910 10.754 ( 0.000 -3.571 -10.421) 11.016 10.754 ( 0.000 -3.571 10.421) 11.016 12.480 ( 0.000 -0.267 -10.448) 10.451 12.480 ( 0.000 -0.267 10.448) 10.451 12.909 ( 0.000 -1.289 -4.571) 4.750 12.909 ( 0.000 -1.289 4.571) 4.750 13.368 ( 0.000 11.665 -9.958) 15.337 13.368 ( 0.000 11.665 9.958) 15.337 14.437 ( 0.000 -5.922 -11.434) 12.876 14.437 ( 0.000 -5.922 11.434) 12.876 14.761 ( 0.000 3.448 -2.881) 4.493 14.761 ( 0.000 3.448 2.881) 4.493 15.377 ( 0.000 -10.028 -4.392) 10.947 15.377 ( 0.000 -10.028 4.392) 10.947 15.681 ( 0.000 3.372 -4.331) 5.489 15.681 ( 0.000 3.372 4.331) 5.489 16.167 ( 0.000 -1.737 -12.755) 12.873 16.167 ( 0.000 -1.737 12.755) 12.873 24.013 ( 0.000 -0.650 -3.908) 3.961 24.013 ( 0.000 -0.650 3.908) 3.961 24.101 ( 0.000 -1.029 -0.590) 1.186 24.101 ( 0.000 -1.029 0.590) 1.186 24.780 ( 0.000 1.983 -9.540) 9.744 24.780 ( 0.000 1.983 9.540) 9.744 24.792 ( 0.000 6.653 -13.658) 15.192 24.792 ( 0.000 6.653 13.658) 15.192 26.657 ( 0.000 -1.615 -5.521) 5.752 26.657 ( 0.000 -1.615 5.521) 5.752 26.669 ( 0.000 -4.585 -1.809) 4.929 26.669 ( 0.000 -4.585 1.809) 4.929 26.996 ( 0.000 7.318 -3.673) 8.188 26.996 ( 0.000 7.318 3.673) 8.188 27.636 ( 0.000 -7.749 -13.405) 15.483 27.636 ( 0.000 -7.749 13.405) 15.483 ======================= Grid point 146 (47/60) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -4.452 9.410 -6.671) 12.364 1.247 ( -4.452 9.410 6.671) 12.364 1.492 ( 5.677 10.481 -16.915) 20.693 1.492 ( 5.677 10.481 16.915) 20.693 1.651 ( 12.778 7.642 -8.631) 17.210 1.651 ( 12.778 7.642 8.631) 17.210 1.809 ( 0.854 -0.560 -4.430) 4.547 1.809 ( 0.854 -0.560 4.430) 4.547 2.397 ( 0.311 1.521 -12.957) 13.049 2.397 ( 0.311 1.521 12.957) 13.049 2.701 ( -0.353 2.896 -6.169) 6.824 2.701 ( -0.353 2.896 6.169) 6.824 2.939 ( 9.092 2.918 -12.279) 15.555 2.939 ( 9.092 2.918 12.279) 15.555 3.069 ( 7.027 -2.332 -4.684) 8.761 3.069 ( 7.027 -2.332 4.684) 8.761 3.186 ( 3.137 -1.974 -3.253) 4.931 3.186 ( 3.137 -1.974 3.253) 4.931 3.442 ( 0.779 -2.055 -3.254) 3.927 3.442 ( 0.779 -2.055 3.254) 3.927 3.644 ( 3.507 -1.479 -5.695) 6.850 3.644 ( 3.507 -1.479 5.695) 6.850 3.833 ( 8.014 -1.227 -2.725) 8.553 3.833 ( 8.014 -1.227 2.725) 8.553 4.004 ( 2.700 -5.987 -3.569) 7.474 4.004 ( 2.700 -5.987 3.569) 7.474 4.142 ( -0.995 1.319 -2.542) 3.032 4.142 ( -0.995 1.319 2.542) 3.032 4.267 ( 5.734 1.766 -5.272) 7.987 4.267 ( 5.734 1.766 5.272) 7.987 4.589 ( 1.061 -1.592 -1.411) 2.377 4.589 ( 1.061 -1.592 1.411) 2.377 4.712 ( 5.505 -0.030 -14.895) 15.880 4.712 ( 5.505 -0.030 14.895) 15.880 5.142 ( -0.014 -1.228 -4.003) 4.187 5.142 ( -0.014 -1.228 4.003) 4.187 6.033 ( -7.580 15.429 -12.180) 21.068 6.033 ( -7.580 15.429 12.180) 21.068 6.183 ( -0.269 1.300 -5.300) 5.464 6.183 ( -0.269 1.300 5.300) 5.464 6.754 ( 2.164 3.794 -8.516) 9.571 6.754 ( 2.164 3.794 8.516) 9.571 7.132 ( 2.451 0.001 -3.150) 3.992 7.132 ( 2.451 0.001 3.150) 3.992 7.370 ( -0.624 -1.863 -1.004) 2.206 7.370 ( -0.624 -1.863 1.004) 2.206 7.536 ( -7.295 -1.034 -0.748) 7.406 7.536 ( -7.295 -1.034 0.748) 7.406 7.945 ( 6.164 -3.861 -4.109) 8.353 7.945 ( 6.164 -3.861 4.109) 8.353 8.213 ( -0.861 6.791 -1.928) 7.111 8.213 ( -0.861 6.791 1.928) 7.111 8.584 ( 0.584 -9.982 -3.786) 10.692 8.584 ( 0.584 -9.982 3.786) 10.692 8.775 ( 3.242 -8.353 -8.628) 12.439 8.775 ( 3.242 -8.353 8.628) 12.439 9.060 ( 7.154 1.959 -11.380) 13.584 9.060 ( 7.154 1.959 11.380) 13.584 10.023 ( -0.360 -7.586 -2.363) 7.953 10.023 ( -0.360 -7.586 2.363) 7.953 10.227 ( -0.216 3.556 -1.414) 3.833 10.227 ( -0.216 3.556 1.414) 3.833 10.670 ( -8.097 -3.151 -9.672) 13.002 10.670 ( -8.097 -3.151 9.672) 13.002 12.376 ( -8.555 1.461 -7.698) 11.601 12.376 ( -8.555 1.461 7.698) 11.601 12.941 ( 1.303 -2.896 -4.780) 5.738 12.941 ( 1.303 -2.896 4.780) 5.738 13.203 ( -12.314 11.564 -10.830) 20.066 13.203 ( -12.314 11.564 10.830) 20.066 14.260 ( -14.528 -4.734 -12.408) 19.684 14.260 ( -14.528 -4.734 12.408) 19.684 14.920 ( 13.144 2.986 -5.728) 14.645 14.920 ( 13.144 2.986 5.728) 14.645 15.431 ( -0.913 -5.740 -5.122) 7.747 15.431 ( -0.913 -5.740 5.122) 7.747 15.780 ( 12.578 0.238 -2.643) 12.854 15.780 ( 12.578 0.238 2.643) 12.854 16.179 ( 0.912 -2.075 -12.530) 12.734 16.179 ( 0.912 -2.075 12.530) 12.734 24.009 ( -0.344 -0.452 -3.628) 3.673 24.009 ( -0.344 -0.452 3.628) 3.673 24.109 ( 0.827 -1.088 -0.937) 1.657 24.109 ( 0.827 -1.088 0.937) 1.657 24.711 ( -4.968 5.468 -8.807) 11.495 24.711 ( -4.968 5.468 8.807) 11.495 24.795 ( -0.836 2.610 -8.524) 8.954 24.795 ( -0.836 2.610 8.524) 8.954 26.527 ( -6.069 -0.523 -3.286) 6.921 26.527 ( -6.069 -0.523 3.286) 6.921 26.709 ( -0.247 -2.656 -2.644) 3.756 26.709 ( -0.247 -2.656 2.644) 3.756 27.117 ( 7.530 3.196 -3.390) 8.855 27.117 ( 7.530 3.196 3.390) 8.855 27.626 ( 0.237 -6.277 -9.931) 11.751 27.626 ( 0.237 -6.277 9.931) 11.751 ======================= Grid point 148 (48/60) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -5.348 7.641 -1.380) 9.429 1.143 ( -5.348 7.641 1.380) 9.429 1.630 ( 7.952 7.566 -11.466) 15.872 1.630 ( 7.952 7.566 11.466) 15.872 1.821 ( 2.670 5.904 -3.953) 7.590 1.821 ( 2.670 5.904 3.953) 7.590 1.888 ( 7.931 3.150 -3.972) 9.412 1.888 ( 7.931 3.150 3.972) 9.412 2.391 ( -1.203 -2.498 -9.609) 10.001 2.391 ( -1.203 -2.498 9.609) 10.001 2.652 ( -3.016 2.303 -6.760) 7.752 2.652 ( -3.016 2.303 6.760) 7.752 3.111 ( 3.865 -4.498 -8.899) 10.694 3.111 ( 3.865 -4.498 8.899) 10.694 3.184 ( 1.752 3.459 -6.536) 7.600 3.184 ( 1.752 3.459 6.536) 7.600 3.325 ( 8.126 3.968 -5.116) 10.389 3.325 ( 8.126 3.968 5.116) 10.389 3.502 ( 5.459 -3.180 -1.343) 6.459 3.502 ( 5.459 -3.180 1.343) 6.459 3.753 ( 6.180 -6.506 -4.092) 9.863 3.753 ( 6.180 -6.506 4.092) 9.863 3.907 ( 5.796 1.761 -9.642) 11.387 3.907 ( 5.796 1.761 9.642) 11.387 4.087 ( 0.713 1.462 -4.098) 4.409 4.087 ( 0.713 1.462 4.098) 4.409 4.133 ( 2.198 0.400 -6.590) 6.959 4.133 ( 2.198 0.400 6.590) 6.959 4.459 ( 11.925 -1.779 -5.266) 13.157 4.459 ( 11.925 -1.779 5.266) 13.157 4.674 ( 7.088 -0.513 -4.055) 8.182 4.674 ( 7.088 -0.513 4.055) 8.182 4.917 ( 12.684 0.658 -7.039) 14.521 4.917 ( 12.684 0.658 7.039) 14.521 5.190 ( 7.690 1.336 -3.069) 8.387 5.190 ( 7.690 1.336 3.069) 8.387 5.903 ( -4.607 9.196 -10.089) 14.407 5.903 ( -4.607 9.196 10.089) 14.407 6.176 ( -0.347 0.535 -5.604) 5.641 6.176 ( -0.347 0.535 5.604) 5.641 6.796 ( 1.822 4.251 -8.299) 9.501 6.796 ( 1.822 4.251 8.299) 9.501 7.183 ( 2.003 2.023 -2.248) 3.627 7.183 ( 2.003 2.023 2.248) 3.627 7.361 ( -0.754 -3.271 -0.627) 3.415 7.361 ( -0.754 -3.271 0.627) 3.415 7.425 ( -2.853 -1.697 -0.557) 3.366 7.425 ( -2.853 -1.697 0.557) 3.366 8.040 ( 2.950 -5.004 -5.775) 8.191 8.040 ( 2.950 -5.004 5.775) 8.191 8.204 ( 0.041 4.517 -0.538) 4.549 8.204 ( 0.041 4.517 0.538) 4.549 8.543 ( -3.416 -4.971 -1.067) 6.125 8.543 ( -3.416 -4.971 1.067) 6.125 8.799 ( -1.776 -8.454 -9.799) 13.064 8.799 ( -1.776 -8.454 9.799) 13.064 9.189 ( 3.448 3.417 -12.872) 13.757 9.189 ( 3.448 3.417 12.872) 13.757 10.000 ( -1.555 -6.644 -1.915) 7.088 10.000 ( -1.555 -6.644 1.915) 7.088 10.233 ( 0.131 -1.465 -1.677) 2.230 10.233 ( 0.131 -1.465 1.677) 2.230 10.461 ( -11.356 -2.198 -7.462) 13.765 10.461 ( -11.356 -2.198 7.462) 13.765 12.206 ( -7.486 2.900 -5.002) 9.459 12.206 ( -7.486 2.900 5.002) 9.459 12.873 ( -7.431 3.328 -5.951) 10.085 12.873 ( -7.431 3.328 5.951) 10.085 13.041 ( -3.574 3.703 -9.035) 10.398 13.041 ( -3.574 3.703 9.035) 10.398 13.981 ( -11.892 -4.190 -13.875) 18.748 13.981 ( -11.892 -4.190 13.875) 18.748 15.128 ( 4.027 3.616 -1.051) 5.514 15.128 ( 4.027 3.616 1.051) 5.514 15.388 ( 1.151 0.039 -5.742) 5.856 15.388 ( 1.151 0.039 5.742) 5.856 16.075 ( 13.232 -3.470 -1.741) 13.790 16.075 ( 13.232 -3.470 1.741) 13.790 16.197 ( 1.415 -2.423 -10.696) 11.058 16.197 ( 1.415 -2.423 10.696) 11.058 24.002 ( -0.316 -0.102 -3.329) 3.345 24.002 ( -0.316 -0.102 3.329) 3.345 24.131 ( 1.252 -1.226 -1.667) 2.419 24.131 ( 1.252 -1.226 1.667) 2.419 24.614 ( -4.201 5.147 -9.499) 11.592 24.614 ( -4.201 5.147 9.499) 11.592 24.766 ( -1.936 1.445 -8.945) 9.266 24.766 ( -1.936 1.445 8.945) 9.266 26.440 ( -2.931 0.373 -3.899) 4.893 26.440 ( -2.931 0.373 3.899) 4.893 26.686 ( -1.707 -2.432 -2.442) 3.846 26.686 ( -1.707 -2.432 2.442) 3.846 27.179 ( -1.019 1.519 -6.917) 7.155 27.179 ( -1.019 1.519 6.917) 7.155 27.692 ( 5.831 -4.636 -16.088) 17.729 27.692 ( 5.831 -4.636 16.088) 17.729 ======================= Grid point 150 (49/60) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -2.850 7.574 -5.119) 9.575 1.058 ( -2.850 7.574 5.119) 9.575 1.773 ( 5.711 4.381 -4.398) 8.435 1.773 ( 5.711 4.381 4.398) 8.435 1.873 ( 1.857 4.024 -2.560) 5.118 1.873 ( 1.857 4.024 2.560) 5.118 2.031 ( 6.834 1.168 -4.344) 8.182 2.031 ( 6.834 1.168 4.344) 8.182 2.346 ( -2.917 1.694 -7.695) 8.402 2.346 ( -2.917 1.694 7.695) 8.402 2.615 ( -1.155 1.272 -3.031) 3.484 2.615 ( -1.155 1.272 3.031) 3.484 3.131 ( -0.636 0.339 -8.184) 8.216 3.131 ( -0.636 0.339 8.184) 8.216 3.169 ( -1.259 -2.828 -5.920) 6.681 3.169 ( -1.259 -2.828 5.920) 6.681 3.378 ( -1.427 7.131 -5.235) 8.961 3.378 ( -1.427 7.131 5.235) 8.961 3.589 ( 2.932 -7.089 -2.015) 7.931 3.589 ( 2.932 -7.089 2.015) 7.931 3.783 ( -0.394 -3.561 -1.284) 3.806 3.783 ( -0.394 -3.561 1.284) 3.806 4.043 ( -1.530 3.563 -5.511) 6.738 4.043 ( -1.530 3.563 5.511) 6.738 4.111 ( 4.695 -1.251 -1.159) 4.995 4.111 ( 4.695 -1.251 1.159) 4.995 4.313 ( 14.594 -0.268 -8.033) 16.661 4.313 ( 14.594 -0.268 8.033) 16.661 4.626 ( 4.583 -1.130 -3.577) 5.922 4.626 ( 4.583 -1.130 3.577) 5.922 4.799 ( 2.780 -0.967 -5.957) 6.644 4.799 ( 2.780 -0.967 5.957) 6.644 5.162 ( 14.983 3.503 -5.924) 16.488 5.162 ( 14.983 3.503 5.924) 16.488 5.444 ( 10.734 4.162 -4.531) 12.372 5.444 ( 10.734 4.162 4.531) 12.372 5.868 ( 1.164 5.034 -9.205) 10.556 5.868 ( 1.164 5.034 9.205) 10.556 6.172 ( -0.041 -0.262 -5.902) 5.908 6.172 ( -0.041 -0.262 5.902) 5.908 6.823 ( 0.893 4.140 -8.138) 9.174 6.823 ( 0.893 4.140 8.138) 9.174 7.206 ( 0.893 2.538 -0.881) 2.832 7.206 ( 0.893 2.538 0.881) 2.832 7.315 ( -2.941 -1.390 -0.468) 3.287 7.315 ( -2.941 -1.390 0.468) 3.287 7.461 ( 5.541 -4.497 -0.805) 7.182 7.461 ( 5.541 -4.497 0.805) 7.182 8.049 ( -2.241 -2.919 -5.085) 6.277 8.049 ( -2.241 -2.919 5.085) 6.277 8.209 ( 0.277 -4.605 -3.769) 5.957 8.209 ( 0.277 -4.605 3.769) 5.957 8.467 ( -4.403 -5.004 -4.349) 7.959 8.467 ( -4.403 -5.004 4.349) 7.959 8.706 ( -5.897 -0.753 -6.594) 8.879 8.706 ( -5.897 -0.753 6.594) 8.879 9.201 ( -0.794 6.575 -11.155) 12.973 9.201 ( -0.794 6.575 11.155) 12.973 9.980 ( -0.323 -8.250 -0.702) 8.286 9.980 ( -0.323 -8.250 0.702) 8.286 10.153 ( -7.740 -2.114 -6.584) 10.379 10.153 ( -7.740 -2.114 6.584) 10.379 10.332 ( -0.823 -3.201 -1.947) 3.836 10.332 ( -0.823 -3.201 1.947) 3.836 12.097 ( -3.402 2.443 -3.495) 5.455 12.097 ( -3.402 2.443 3.495) 5.455 12.759 ( -3.123 9.230 -11.269) 14.897 12.759 ( -3.123 9.230 11.269) 14.897 12.969 ( -3.911 -2.363 -6.966) 8.330 12.969 ( -3.911 -2.363 6.966) 8.330 13.810 ( -5.293 -4.106 -15.309) 16.710 13.810 ( -5.293 -4.106 15.309) 16.710 15.097 ( -3.446 4.507 -6.460) 8.597 15.097 ( -3.446 4.507 6.460) 8.597 15.483 ( 5.058 1.876 -12.516) 13.629 15.483 ( 5.058 1.876 12.516) 13.629 16.171 ( 0.133 -2.542 -13.024) 13.270 16.171 ( 0.133 -2.542 13.024) 13.270 16.325 ( 7.422 -4.011 -2.610) 8.831 16.325 ( 7.422 -4.011 2.610) 8.831 23.998 ( -0.115 0.114 -3.368) 3.372 23.998 ( -0.115 0.114 3.368) 3.372 24.154 ( 0.883 -1.317 -2.184) 2.699 24.154 ( 0.883 -1.317 2.184) 2.699 24.552 ( -1.958 4.360 -10.141) 11.210 24.552 ( -1.958 4.360 10.141) 11.210 24.727 ( -1.666 0.873 -7.472) 7.705 24.727 ( -1.666 0.873 7.472) 7.705 26.400 ( -1.203 0.469 -4.550) 4.730 26.400 ( -1.203 0.469 4.550) 4.730 26.653 ( -1.355 -2.585 -2.544) 3.871 26.653 ( -1.355 -2.585 2.544) 3.871 27.135 ( -2.243 2.661 -7.915) 8.646 27.135 ( -2.243 2.661 7.915) 8.646 27.803 ( 4.308 -4.692 -19.917) 20.911 27.803 ( 4.308 -4.692 19.917) 20.911 ======================= Grid point 152 (50/60) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 7.705 -6.952) 10.377 1.030 ( -0.000 7.705 6.952) 10.377 1.853 ( 0.000 7.603 -4.422) 8.795 1.853 ( 0.000 7.603 4.422) 8.795 1.867 ( -0.000 -2.473 -3.201) 4.045 1.867 ( -0.000 -2.473 3.201) 4.045 2.127 ( -0.000 -5.592 -5.351) 7.739 2.127 ( -0.000 -5.592 5.351) 7.739 2.301 ( -0.000 12.643 -7.905) 14.911 2.301 ( -0.000 12.643 7.905) 14.911 2.599 ( 0.000 -1.468 -5.443) 5.638 2.599 ( 0.000 -1.468 5.443) 5.638 3.121 ( 0.000 3.818 -9.005) 9.780 3.121 ( 0.000 3.818 9.005) 9.780 3.157 ( 0.000 -7.515 -6.969) 10.249 3.157 ( 0.000 -7.515 6.969) 10.249 3.350 ( 0.000 10.018 -8.724) 13.284 3.350 ( 0.000 10.018 8.724) 13.284 3.620 ( 0.000 -8.928 -3.421) 9.561 3.620 ( 0.000 -8.928 3.421) 9.561 3.777 ( 0.000 -3.038 -3.321) 4.501 3.777 ( 0.000 -3.038 3.321) 4.501 4.022 ( 0.000 3.290 -6.087) 6.919 4.022 ( 0.000 3.290 6.087) 6.919 4.155 ( 0.000 0.706 -0.791) 1.061 4.155 ( 0.000 0.706 0.791) 1.061 4.482 ( 0.000 -6.315 -2.972) 6.979 4.482 ( 0.000 -6.315 2.972) 6.979 4.671 ( 0.000 1.890 -7.190) 7.434 4.671 ( 0.000 1.890 7.190) 7.434 4.807 ( 0.000 -0.710 -6.039) 6.081 4.807 ( -0.000 -0.710 6.039) 6.081 5.404 ( -0.000 5.368 -12.288) 13.409 5.404 ( -0.000 5.368 12.288) 13.409 5.498 ( 0.000 5.316 -8.981) 10.436 5.498 ( 0.000 5.316 8.981) 10.436 5.895 ( 0.000 4.267 -9.444) 10.363 5.895 ( 0.000 4.267 9.444) 10.363 6.171 ( 0.000 -0.709 -6.170) 6.211 6.171 ( 0.000 -0.709 6.170) 6.211 6.832 ( 0.000 3.990 -8.124) 9.050 6.832 ( 0.000 3.990 8.124) 9.050 7.229 ( 0.000 -0.323 -0.748) 0.815 7.229 ( -0.000 -0.323 0.748) 0.815 7.270 ( 0.000 1.160 -0.608) 1.309 7.270 ( 0.000 1.160 0.608) 1.309 7.562 ( -0.000 -3.843 -0.788) 3.923 7.562 ( 0.000 -3.843 0.788) 3.923 7.990 ( 0.000 -5.811 -6.867) 8.996 7.990 ( 0.000 -5.811 6.867) 8.996 8.213 ( -0.000 -11.573 -5.749) 12.922 8.213 ( 0.000 -11.573 5.749) 12.922 8.399 ( 0.000 -1.695 -8.588) 8.754 8.399 ( 0.000 -1.695 8.588) 8.754 8.645 ( 0.000 5.827 -10.112) 11.671 8.645 ( 0.000 5.827 10.112) 11.671 9.191 ( 0.000 6.517 -10.695) 12.525 9.191 ( 0.000 6.517 10.695) 12.525 9.980 ( 0.000 -9.265 -0.116) 9.266 9.980 ( 0.000 -9.265 0.116) 9.266 10.059 ( 0.000 -1.077 -7.856) 7.930 10.059 ( 0.000 -1.077 7.856) 7.930 10.333 ( 0.000 -4.130 -2.138) 4.650 10.333 ( 0.000 -4.130 2.138) 4.650 12.064 ( 0.000 1.917 -3.026) 3.582 12.064 ( 0.000 1.917 3.026) 3.582 12.735 ( 0.000 12.043 -15.147) 19.351 12.735 ( 0.000 12.043 15.147) 19.351 12.919 ( 0.000 -4.937 -9.286) 10.517 12.919 ( -0.000 -4.937 9.286) 10.517 13.759 ( 0.000 -4.137 -15.846) 16.377 13.759 ( 0.000 -4.137 15.846) 16.377 15.058 ( 0.000 4.982 -6.061) 7.846 15.058 ( 0.000 4.982 6.061) 7.846 15.536 ( 0.000 2.145 -12.768) 12.947 15.536 ( 0.000 2.145 12.768) 12.947 16.170 ( 0.000 -2.418 -13.286) 13.504 16.170 ( 0.000 -2.418 13.286) 13.504 16.401 ( 0.000 -4.171 -2.904) 5.082 16.401 ( 0.000 -4.171 2.904) 5.082 23.997 ( -0.000 0.177 -3.458) 3.463 23.997 ( -0.000 0.177 3.458) 3.463 24.163 ( -0.000 -1.333 -2.353) 2.704 24.163 ( -0.000 -1.333 2.353) 2.704 24.534 ( 0.000 4.063 -10.608) 11.360 24.534 ( 0.000 4.063 10.608) 11.360 24.709 ( 0.000 0.658 -6.489) 6.523 24.709 ( -0.000 0.658 6.489) 6.523 26.388 ( 0.000 0.449 -4.740) 4.761 26.388 ( 0.000 0.449 4.740) 4.761 26.639 ( -0.000 -2.630 -2.591) 3.692 26.639 ( 0.000 -2.630 2.591) 3.692 27.111 ( 0.000 3.265 -7.416) 8.103 27.111 ( 0.000 3.265 7.416) 8.103 27.847 ( 0.000 -4.846 -20.390) 20.958 27.847 ( 0.000 -4.846 20.390) 20.958 ======================= Grid point 162 (51/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 -0.265 -10.159) 10.162 1.549 ( 0.000 -0.265 10.159) 10.162 1.552 ( 0.000 9.635 -14.752) 17.620 1.552 ( 0.000 9.635 14.752) 17.620 1.753 ( 0.000 1.185 -4.852) 4.994 1.753 ( 0.000 1.185 4.852) 4.994 1.756 ( 0.000 20.884 -5.598) 21.621 1.756 ( 0.000 20.884 5.598) 21.621 2.547 ( 0.000 5.003 -5.523) 7.452 2.547 ( 0.000 5.003 5.523) 7.452 2.691 ( 0.000 -2.647 -4.045) 4.834 2.691 ( 0.000 -2.647 4.045) 4.834 2.763 ( 0.000 -6.205 -6.997) 9.352 2.763 ( 0.000 -6.205 6.997) 9.352 3.046 ( 0.000 -7.687 -4.172) 8.746 3.046 ( 0.000 -7.687 4.172) 8.746 3.097 ( 0.000 9.960 -10.642) 14.575 3.097 ( 0.000 9.960 10.642) 14.575 3.381 ( 0.000 -3.236 -7.984) 8.615 3.381 ( 0.000 -3.236 7.984) 8.615 3.608 ( 0.000 0.592 -3.572) 3.621 3.608 ( 0.000 0.592 3.572) 3.621 3.688 ( 0.000 -1.018 -5.634) 5.725 3.688 ( 0.000 -1.018 5.634) 5.725 3.927 ( 0.000 1.221 -7.426) 7.526 3.927 ( 0.000 1.221 7.426) 7.526 4.169 ( 0.000 0.806 -8.704) 8.742 4.169 ( 0.000 0.806 8.704) 8.742 4.276 ( 0.000 3.777 -4.303) 5.726 4.276 ( 0.000 3.777 4.303) 5.726 4.523 ( 0.000 -3.935 -3.194) 5.068 4.523 ( 0.000 -3.935 3.194) 5.068 4.665 ( 0.000 0.930 -20.408) 20.429 4.665 ( 0.000 0.930 20.408) 20.429 5.071 ( 0.000 -6.120 -0.895) 6.185 5.071 ( 0.000 -6.120 0.895) 6.185 6.256 ( 0.000 5.841 -6.584) 8.802 6.256 ( 0.000 5.841 6.584) 8.802 6.448 ( 0.000 10.580 -17.483) 20.435 6.448 ( 0.000 10.580 17.483) 20.435 6.801 ( 0.000 4.278 -8.568) 9.577 6.801 ( 0.000 4.278 8.568) 9.577 7.076 ( 0.000 -2.601 -3.986) 4.759 7.076 ( 0.000 -2.601 3.986) 4.759 7.365 ( 0.000 0.081 -0.980) 0.983 7.365 ( 0.000 0.081 0.980) 0.983 7.603 ( 0.000 -4.074 -4.671) 6.198 7.603 ( 0.000 -4.074 4.671) 6.198 7.818 ( 0.000 -0.800 -2.850) 2.960 7.818 ( 0.000 -0.800 2.850) 2.960 8.143 ( 0.000 -18.738 -5.181) 19.441 8.143 ( 0.000 -18.738 5.181) 19.441 8.415 ( 0.000 11.359 -2.132) 11.558 8.415 ( 0.000 11.359 2.132) 11.558 8.711 ( 0.000 -0.076 -6.541) 6.541 8.711 ( 0.000 -0.076 6.541) 6.541 9.046 ( 0.000 3.805 -11.198) 11.827 9.046 ( 0.000 3.805 11.198) 11.827 9.769 ( 0.000 -16.138 -4.635) 16.790 9.769 ( 0.000 -16.138 4.635) 16.790 10.353 ( 0.000 5.500 -1.654) 5.743 10.353 ( 0.000 5.500 1.654) 5.743 10.662 ( 0.000 -5.472 -9.005) 10.537 10.662 ( 0.000 -5.472 9.005) 10.537 12.525 ( 0.000 4.779 -12.480) 13.364 12.525 ( 0.000 4.779 12.480) 13.364 12.865 ( 0.000 -3.303 -5.843) 6.712 12.865 ( 0.000 -3.303 5.843) 6.712 13.622 ( 0.000 13.176 -10.964) 17.141 13.622 ( 0.000 13.176 10.964) 17.141 14.289 ( 0.000 -8.957 -11.249) 14.379 14.289 ( 0.000 -8.957 11.249) 14.379 14.841 ( 0.000 4.505 -3.643) 5.794 14.841 ( 0.000 4.505 3.643) 5.794 15.186 ( 0.000 -8.581 -8.156) 11.839 15.186 ( 0.000 -8.581 8.156) 11.839 15.766 ( 0.000 5.369 -7.168) 8.955 15.766 ( 0.000 5.369 7.168) 8.955 16.112 ( 0.000 -3.908 -12.472) 13.070 16.112 ( 0.000 -3.908 12.472) 13.070 24.004 ( 0.000 -0.132 -3.156) 3.159 24.004 ( 0.000 -0.132 3.156) 3.159 24.074 ( 0.000 -1.647 -0.742) 1.807 24.074 ( 0.000 -1.647 0.742) 1.807 24.831 ( 0.000 3.055 -11.475) 11.875 24.831 ( 0.000 3.055 11.475) 11.875 24.905 ( 0.000 3.767 -18.668) 19.044 24.905 ( 0.000 3.767 18.668) 19.044 26.595 ( 0.000 -2.756 -2.562) 3.763 26.595 ( 0.000 -2.756 2.562) 3.763 26.617 ( 0.000 -2.271 -4.923) 5.422 26.617 ( 0.000 -2.271 4.923) 5.422 27.143 ( 0.000 7.187 -5.572) 9.094 27.143 ( 0.000 7.187 5.572) 9.094 27.484 ( 0.000 -6.871 -15.650) 17.092 27.484 ( 0.000 -6.871 15.650) 17.092 ======================= Grid point 164 (52/60) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -5.586 6.932 -7.330) 11.532 1.432 ( -5.586 6.932 7.330) 11.532 1.648 ( 3.089 1.817 -7.304) 8.136 1.648 ( 3.089 1.817 7.304) 8.136 1.814 ( 5.287 8.483 -8.357) 13.028 1.814 ( 5.287 8.483 8.357) 13.028 1.881 ( 9.769 12.233 -5.947) 16.746 1.881 ( 9.769 12.233 5.947) 16.746 2.486 ( -3.783 4.553 -5.132) 7.834 2.486 ( -3.783 4.553 5.132) 7.834 2.713 ( -0.913 0.063 -4.983) 5.066 2.713 ( -0.913 0.063 4.983) 5.066 2.823 ( 5.355 -10.880 -7.014) 14.008 2.823 ( 5.355 -10.880 7.014) 14.008 3.117 ( 7.641 -4.699 -3.856) 9.764 3.117 ( 7.641 -4.699 3.856) 9.764 3.211 ( 11.945 10.338 -7.487) 17.482 3.211 ( 11.945 10.338 7.487) 17.482 3.390 ( 1.006 -2.629 -5.043) 5.775 3.390 ( 1.006 -2.629 5.043) 5.775 3.613 ( -1.470 -0.807 -5.163) 5.428 3.613 ( -1.470 -0.807 5.163) 5.428 3.772 ( 7.942 -3.276 -1.785) 8.774 3.772 ( 7.942 -3.276 1.785) 8.774 3.986 ( 6.190 3.473 -7.040) 9.997 3.986 ( 6.190 3.473 7.040) 9.997 4.186 ( 0.258 2.440 -4.102) 4.780 4.186 ( 0.258 2.440 4.102) 4.780 4.307 ( 4.067 2.341 -4.221) 6.311 4.307 ( 4.067 2.341 4.221) 6.311 4.540 ( 2.311 -3.347 -1.868) 4.475 4.540 ( 2.311 -3.347 1.868) 4.475 4.712 ( 5.873 0.694 -12.410) 13.747 4.712 ( 5.873 0.694 12.410) 13.747 5.085 ( 1.798 -5.086 -0.793) 5.452 5.085 ( 1.798 -5.086 0.793) 5.452 6.234 ( -2.175 4.464 -6.682) 8.326 6.234 ( -2.175 4.464 6.682) 8.326 6.308 ( -10.858 9.991 -14.799) 20.898 6.308 ( -10.858 9.991 14.799) 20.898 6.852 ( 3.542 5.722 -8.346) 10.721 6.852 ( 3.542 5.722 8.346) 10.721 7.116 ( 3.723 -1.956 -3.849) 5.701 7.116 ( 3.723 -1.956 3.849) 5.701 7.345 ( -1.668 -0.472 -1.231) 2.126 7.345 ( -1.668 -0.472 1.231) 2.126 7.499 ( -7.072 -2.582 -1.905) 7.765 7.499 ( -7.072 -2.582 1.905) 7.765 7.873 ( 3.645 -3.051 -4.392) 6.471 7.873 ( 3.645 -3.051 4.392) 6.471 8.186 ( 1.329 -16.208 -2.308) 16.425 8.186 ( 1.329 -16.208 2.308) 16.425 8.457 ( 3.536 9.293 -3.886) 10.676 8.457 ( 3.536 9.293 3.886) 10.676 8.738 ( 2.314 0.970 -7.410) 7.824 8.738 ( 2.314 0.970 7.410) 7.824 9.095 ( 4.859 1.927 -11.310) 12.460 9.095 ( 4.859 1.927 11.310) 12.460 9.771 ( -0.016 -16.498 -4.514) 17.104 9.771 ( -0.016 -16.498 4.514) 17.104 10.318 ( -3.259 4.550 -1.802) 5.879 10.318 ( -3.259 4.550 1.802) 5.879 10.589 ( -7.083 -4.844 -8.382) 11.995 10.589 ( -7.083 -4.844 8.382) 11.995 12.453 ( -6.215 6.226 -9.616) 13.033 12.453 ( -6.215 6.226 9.616) 13.033 12.867 ( -0.560 -4.814 -5.704) 7.484 12.867 ( -0.560 -4.814 5.704) 7.484 13.455 ( -12.754 13.281 -12.057) 22.010 13.455 ( -12.754 13.281 12.057) 22.010 14.129 ( -13.454 -8.470 -12.262) 20.078 14.129 ( -13.454 -8.470 12.262) 20.078 14.997 ( 13.296 4.682 -6.167) 15.387 14.997 ( 13.296 4.682 6.167) 15.387 15.307 ( 6.939 -6.147 -8.711) 12.721 15.307 ( 6.939 -6.147 8.711) 12.721 15.813 ( 6.035 3.216 -5.387) 8.705 15.813 ( 6.035 3.216 5.387) 8.705 16.118 ( 0.443 -4.193 -12.248) 12.953 16.118 ( 0.443 -4.193 12.248) 12.953 24.004 ( 0.004 0.043 -3.081) 3.081 24.004 ( 0.004 0.043 3.081) 3.081 24.080 ( 0.668 -1.745 -1.095) 2.165 24.080 ( 0.668 -1.745 1.095) 2.165 24.803 ( -2.971 3.708 -7.721) 9.066 24.803 ( -2.971 3.708 7.721) 9.066 24.863 ( -3.366 3.293 -12.507) 13.364 24.863 ( -3.366 3.293 12.507) 13.364 26.519 ( -4.217 -0.165 -3.357) 5.393 26.519 ( -4.217 -0.165 3.357) 5.393 26.641 ( -0.146 -3.932 -3.628) 5.352 26.641 ( -0.146 -3.932 3.628) 5.352 27.200 ( 3.824 4.968 -4.921) 7.970 27.200 ( 3.824 4.968 4.921) 7.970 27.499 ( 2.200 -5.903 -12.821) 14.285 27.499 ( 2.200 -5.903 12.821) 14.285 ======================= Grid point 166 (53/60) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -5.092 9.156 -0.250) 10.480 1.322 ( -5.092 9.156 0.250) 10.480 1.712 ( 3.298 -0.968 -3.969) 5.251 1.712 ( 3.298 -0.968 3.969) 5.251 1.928 ( 5.297 8.117 -8.880) 13.145 1.928 ( 5.297 8.117 8.880) 13.145 2.017 ( 3.675 8.079 -3.778) 9.646 2.017 ( 3.675 8.079 3.778) 9.646 2.427 ( -1.566 2.839 -6.705) 7.448 2.427 ( -1.566 2.839 6.705) 7.448 2.700 ( -0.017 4.673 -8.353) 9.571 2.700 ( -0.017 4.673 8.353) 9.571 2.900 ( 2.462 -12.696 -2.820) 13.236 2.900 ( 2.462 -12.696 2.820) 13.236 3.268 ( 3.358 1.088 -3.013) 4.641 3.268 ( 3.358 1.088 3.013) 4.641 3.390 ( 1.976 -1.963 -1.158) 3.017 3.390 ( 1.976 -1.963 1.158) 3.017 3.516 ( 9.320 7.486 -2.783) 12.274 3.516 ( 9.320 7.486 2.783) 12.274 3.610 ( 4.486 -6.038 -4.686) 8.862 3.610 ( 4.486 -6.038 4.686) 8.862 3.910 ( 6.717 -2.017 -3.702) 7.930 3.910 ( 6.717 -2.017 3.702) 7.930 4.129 ( 3.340 4.071 -8.846) 10.294 4.129 ( 3.340 4.071 8.846) 10.294 4.188 ( 3.239 4.279 -4.537) 7.027 4.188 ( 3.239 4.279 4.537) 7.027 4.444 ( 9.209 -0.300 -4.080) 10.077 4.444 ( 9.209 -0.300 4.080) 10.077 4.644 ( 7.337 -2.449 -1.115) 7.814 4.644 ( 7.337 -2.449 1.115) 7.814 4.918 ( 13.703 0.411 -3.942) 14.265 4.918 ( 13.703 0.411 3.942) 14.265 5.200 ( 12.206 -1.210 -0.547) 12.278 5.200 ( 12.206 -1.210 0.547) 12.278 6.093 ( -8.526 8.665 -11.813) 16.951 6.093 ( -8.526 8.665 11.813) 16.951 6.197 ( -2.197 1.620 -5.885) 6.487 6.197 ( -2.197 1.620 5.885) 6.487 6.912 ( 2.365 7.221 -7.393) 10.601 6.912 ( 2.365 7.221 7.393) 10.601 7.202 ( 4.035 -1.112 -2.842) 5.059 7.202 ( 4.035 -1.112 2.842) 5.059 7.312 ( -1.328 -1.916 -1.317) 2.677 7.312 ( -1.328 -1.916 1.317) 2.677 7.378 ( -4.483 -1.538 -0.759) 4.800 7.378 ( -4.483 -1.538 0.759) 4.800 7.932 ( 1.793 -5.267 -5.021) 7.494 7.932 ( 1.793 -5.267 5.021) 7.494 8.156 ( -4.190 -12.819 -2.096) 13.648 8.156 ( -4.190 -12.819 2.096) 13.648 8.510 ( 1.405 9.157 -3.973) 10.080 8.510 ( 1.405 9.157 3.973) 10.080 8.774 ( 0.686 2.804 -8.124) 8.622 8.774 ( 0.686 2.804 8.124) 8.622 9.205 ( 4.712 -1.253 -11.703) 12.678 9.205 ( 4.712 -1.253 11.703) 12.678 9.758 ( -1.381 -16.762 -4.071) 17.304 9.758 ( -1.381 -16.762 4.071) 17.304 10.239 ( -4.366 1.547 -2.443) 5.236 10.239 ( -4.366 1.547 2.443) 5.236 10.404 ( -10.191 -3.362 -6.498) 12.545 10.404 ( -10.191 -3.362 6.498) 12.545 12.316 ( -6.687 8.056 -5.654) 11.899 12.316 ( -6.687 8.056 5.654) 11.899 12.829 ( -2.751 -5.921 -6.006) 8.871 12.829 ( -2.751 -5.921 6.006) 8.871 13.224 ( -9.596 12.248 -14.459) 21.241 13.224 ( -9.596 12.248 14.459) 21.241 13.863 ( -11.521 -7.670 -13.736) 19.500 13.863 ( -11.521 -7.670 13.736) 19.500 15.223 ( 5.397 5.608 -2.486) 8.171 15.223 ( 5.397 5.608 2.486) 8.171 15.393 ( 4.931 0.355 -2.550) 5.562 15.393 ( 4.931 0.355 2.550) 5.562 16.005 ( 10.732 -2.955 -3.556) 11.686 16.005 ( 10.732 -2.955 3.556) 11.686 16.128 ( 1.001 -4.375 -10.284) 11.221 16.128 ( 1.001 -4.375 10.284) 11.221 24.004 ( 0.053 0.433 -3.076) 3.107 24.004 ( 0.053 0.433 3.076) 3.107 24.098 ( 1.048 -1.992 -1.803) 2.884 24.098 ( 1.048 -1.992 1.803) 2.884 24.721 ( -4.470 4.949 -9.957) 11.984 24.721 ( -4.470 4.949 9.957) 11.984 24.799 ( -2.965 1.672 -9.387) 9.985 24.799 ( -2.965 1.672 9.387) 9.985 26.450 ( -2.594 0.796 -3.983) 4.819 26.450 ( -2.594 0.796 3.983) 4.819 26.617 ( -1.813 -4.271 -3.371) 5.735 26.617 ( -1.813 -4.271 3.371) 5.735 27.236 ( -0.116 4.344 -7.301) 8.496 27.236 ( -0.116 4.344 7.301) 8.496 27.585 ( 5.563 -5.888 -13.206) 15.492 27.585 ( 5.563 -5.888 13.206) 15.492 ======================= Grid point 168 (54/60) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -2.564 10.341 -5.763) 12.113 1.244 ( -2.564 10.341 5.763) 12.113 1.762 ( 1.434 -5.017 -2.477) 5.775 1.762 ( 1.434 -5.017 2.477) 5.775 2.003 ( 2.082 7.876 -5.627) 9.901 2.003 ( 2.082 7.876 5.627) 9.901 2.061 ( 1.511 4.290 -6.176) 7.670 2.061 ( 1.511 4.290 6.176) 7.670 2.457 ( 4.534 3.168 -5.928) 8.108 2.457 ( 4.534 3.168 5.928) 8.108 2.683 ( -2.454 8.423 -7.629) 11.626 2.683 ( -2.454 8.423 7.629) 11.626 2.937 ( 1.337 -11.952 -3.113) 12.423 2.937 ( 1.337 -11.952 3.113) 12.423 3.237 ( -3.583 3.797 -5.714) 7.740 3.237 ( -3.583 3.797 5.714) 7.740 3.441 ( 2.461 -4.979 -2.258) 5.996 3.441 ( 2.461 -4.979 2.258) 5.996 3.559 ( -0.686 2.926 -6.034) 6.741 3.559 ( -0.686 2.926 6.034) 6.741 3.708 ( 1.929 -0.284 -7.920) 8.156 3.708 ( 1.929 -0.284 7.920) 8.156 4.023 ( 1.995 -3.616 -7.115) 8.226 4.023 ( 1.995 -3.616 7.115) 8.226 4.155 ( 2.622 4.048 -4.561) 6.638 4.155 ( 2.622 4.048 4.561) 6.638 4.312 ( 5.844 0.221 -4.979) 7.680 4.312 ( 5.844 0.221 4.979) 7.680 4.612 ( 7.026 -0.843 -2.743) 7.589 4.612 ( 7.026 -0.843 2.743) 7.589 4.751 ( 2.195 -3.489 -4.570) 6.155 4.751 ( 2.195 -3.489 4.570) 6.155 5.260 ( 20.108 6.531 -5.576) 21.865 5.260 ( 20.108 6.531 5.576) 21.865 5.526 ( 14.424 2.952 -4.577) 15.418 5.526 ( 14.424 2.952 4.577) 15.418 5.986 ( -1.730 6.198 -10.398) 12.228 5.986 ( -1.730 6.198 10.398) 12.228 6.160 ( -1.457 -0.885 -5.677) 5.927 6.160 ( -1.457 -0.885 5.677) 5.927 6.943 ( 0.817 7.817 -6.552) 10.232 6.943 ( 0.817 7.817 6.552) 10.232 7.232 ( -1.096 -1.225 -1.309) 2.101 7.232 ( -1.096 -1.225 1.309) 2.101 7.288 ( -1.466 -2.023 -1.560) 2.945 7.288 ( -1.466 -2.023 1.560) 2.945 7.368 ( 4.336 -2.715 -0.781) 5.175 7.368 ( 4.336 -2.715 0.781) 5.175 7.927 ( -3.452 -7.550 -3.795) 9.128 7.927 ( -3.452 -7.550 3.795) 9.128 8.031 ( -6.640 -12.404 -1.163) 14.117 8.031 ( -6.640 -12.404 1.163) 14.117 8.521 ( 0.013 11.377 -3.895) 12.026 8.521 ( 0.013 11.377 3.895) 12.026 8.768 ( -0.819 5.073 -8.425) 9.869 8.768 ( -0.819 5.073 8.425) 9.869 9.254 ( 0.487 -1.339 -11.420) 11.508 9.254 ( 0.487 -1.339 11.420) 11.508 9.727 ( -1.213 -16.878 -3.085) 17.201 9.727 ( -1.213 -16.878 3.085) 17.201 10.127 ( -6.562 -0.140 -6.245) 9.060 10.127 ( -6.562 -0.140 6.245) 9.060 10.260 ( -3.180 -3.725 -3.339) 5.928 10.260 ( -3.180 -3.725 3.339) 5.928 12.209 ( -3.781 8.613 -3.586) 10.067 12.209 ( -3.781 8.613 3.586) 10.067 12.788 ( -0.948 -6.601 -6.451) 9.278 12.788 ( -0.948 -6.601 6.451) 9.278 13.067 ( -6.220 11.801 -14.842) 19.956 13.067 ( -6.220 11.801 14.842) 19.956 13.695 ( -5.305 -7.445 -14.966) 17.537 13.695 ( -5.305 -7.445 14.966) 17.537 15.223 ( -2.065 7.967 -10.079) 13.012 15.223 ( -2.065 7.967 10.079) 13.012 15.522 ( 5.449 1.559 -12.656) 13.867 15.522 ( 5.449 1.559 12.656) 13.867 16.106 ( 0.664 -3.538 -11.372) 11.928 16.106 ( 0.664 -3.538 11.372) 11.928 16.224 ( 6.549 -5.776 -3.404) 9.373 16.224 ( 6.549 -5.776 3.404) 9.373 24.006 ( 0.080 0.776 -3.261) 3.353 24.006 ( 0.080 0.776 3.261) 3.353 24.118 ( 0.795 -2.208 -2.372) 3.337 24.118 ( 0.795 -2.208 2.372) 3.337 24.649 ( -2.465 4.822 -10.539) 11.849 24.649 ( -2.465 4.822 10.539) 11.849 24.746 ( -2.147 0.866 -8.329) 8.645 24.746 ( -2.147 0.866 8.329) 8.645 26.413 ( -1.220 0.903 -4.503) 4.752 26.413 ( -1.220 0.903 4.503) 4.752 26.583 ( -1.360 -4.248 -3.318) 5.559 26.583 ( -1.360 -4.248 3.318) 5.559 27.221 ( -0.883 6.066 -7.856) 9.965 27.221 ( -0.883 6.066 7.856) 9.965 27.683 ( 3.661 -7.192 -15.075) 17.099 27.683 ( 3.661 -7.192 15.075) 17.099 ======================= Grid point 170 (55/60) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 10.626 -7.663) 13.101 1.219 ( -0.000 10.626 7.663) 13.101 1.774 ( 0.000 -6.991 -2.527) 7.434 1.774 ( 0.000 -6.991 2.527) 7.434 2.020 ( -0.000 8.701 -3.983) 9.570 2.020 ( -0.000 8.701 3.983) 9.570 2.081 ( 0.000 1.986 -7.689) 7.941 2.081 ( 0.000 1.986 7.689) 7.941 2.549 ( -0.000 -3.499 -2.410) 4.248 2.549 ( -0.000 -3.499 2.410) 4.248 2.619 ( 0.000 16.749 -3.762) 17.166 2.619 ( 0.000 16.749 3.762) 17.166 2.952 ( 0.000 -11.241 -3.549) 11.787 2.952 ( 0.000 -11.241 3.549) 11.787 3.194 ( 0.000 3.716 -9.069) 9.801 3.194 ( 0.000 3.716 9.069) 9.801 3.472 ( 0.000 -5.946 -3.521) 6.910 3.472 ( 0.000 -5.946 3.521) 6.910 3.541 ( -0.000 3.354 -8.299) 8.951 3.541 ( -0.000 3.354 8.299) 8.951 3.722 ( 0.000 1.454 -8.427) 8.552 3.722 ( 0.000 1.454 8.427) 8.552 4.029 ( -0.000 -1.703 -8.744) 8.908 4.029 ( 0.000 -1.703 8.744) 8.908 4.193 ( 0.000 2.627 -1.931) 3.261 4.193 ( 0.000 2.627 1.931) 3.261 4.368 ( 0.000 -4.690 -3.081) 5.611 4.368 ( 0.000 -4.690 3.081) 5.611 4.704 ( -0.000 0.796 -6.696) 6.744 4.704 ( 0.000 0.796 6.696) 6.744 4.753 ( 0.000 -4.013 -5.201) 6.569 4.753 ( 0.000 -4.013 5.201) 6.569 5.546 ( -0.000 8.467 -10.935) 13.830 5.546 ( -0.000 8.467 10.935) 13.830 5.626 ( 0.000 6.777 -8.937) 11.216 5.626 ( 0.000 6.777 8.937) 11.216 5.994 ( 0.000 4.926 -11.776) 12.765 5.994 ( 0.000 4.926 11.776) 12.765 6.142 ( 0.000 -2.245 -6.451) 6.831 6.142 ( 0.000 -2.245 6.451) 6.831 6.951 ( 0.000 7.786 -6.280) 10.003 6.951 ( 0.000 7.786 6.280) 10.003 7.210 ( 0.000 -1.797 -1.107) 2.110 7.210 ( 0.000 -1.797 1.107) 2.110 7.273 ( 0.000 -1.357 -1.538) 2.052 7.273 ( 0.000 -1.357 1.538) 2.052 7.460 ( 0.000 -6.106 -0.755) 6.153 7.460 ( 0.000 -6.106 0.755) 6.153 7.815 ( 0.000 -8.473 -6.166) 10.479 7.815 ( 0.000 -8.473 6.166) 10.479 7.980 ( 0.000 -11.198 -5.200) 12.347 7.980 ( 0.000 -11.198 5.200) 12.347 8.520 ( 0.000 12.463 -3.968) 13.080 8.520 ( 0.000 12.463 3.968) 13.080 8.758 ( 0.000 5.969 -8.993) 10.794 8.758 ( 0.000 5.969 8.993) 10.794 9.253 ( 0.000 -0.965 -11.319) 11.360 9.253 ( 0.000 -0.965 11.319) 11.360 9.716 ( 0.000 -17.123 -2.334) 17.281 9.716 ( 0.000 -17.123 2.334) 17.281 10.051 ( 0.000 0.596 -7.089) 7.114 10.051 ( 0.000 0.596 7.089) 7.114 10.236 ( 0.000 -5.071 -3.179) 5.986 10.236 ( 0.000 -5.071 3.179) 5.986 12.171 ( 0.000 8.601 -3.054) 9.127 12.171 ( 0.000 8.601 3.054) 9.127 12.784 ( 0.000 -8.608 -7.506) 11.421 12.784 ( 0.000 -8.608 7.506) 11.421 12.997 ( 0.000 13.611 -15.195) 20.400 12.997 ( 0.000 13.611 15.195) 20.400 13.644 ( 0.000 -7.491 -15.371) 17.099 13.644 ( -0.000 -7.491 15.371) 17.099 15.198 ( 0.000 8.949 -10.077) 13.477 15.198 ( 0.000 8.949 10.077) 13.477 15.577 ( 0.000 1.260 -13.666) 13.723 15.577 ( 0.000 1.260 13.666) 13.723 16.111 ( 0.000 -2.989 -11.274) 11.664 16.111 ( 0.000 -2.989 11.274) 11.664 16.293 ( 0.000 -6.353 -3.952) 7.482 16.293 ( 0.000 -6.353 3.952) 7.482 24.007 ( -0.000 0.905 -3.385) 3.504 24.007 ( -0.000 0.905 3.385) 3.504 24.126 ( -0.000 -2.274 -2.580) 3.439 24.126 ( -0.000 -2.274 2.580) 3.439 24.625 ( 0.000 4.607 -10.723) 11.671 24.625 ( 0.000 4.607 10.723) 11.671 24.723 ( 0.000 0.616 -7.359) 7.385 24.723 ( -0.000 0.616 7.359) 7.385 26.401 ( 0.000 0.890 -4.660) 4.744 26.401 ( 0.000 0.890 4.660) 4.744 26.569 ( -0.000 -4.183 -3.293) 5.324 26.569 ( -0.000 -4.183 3.293) 5.324 27.211 ( 0.000 6.870 -7.549) 10.207 27.211 ( 0.000 6.870 7.549) 10.207 27.720 ( 0.000 -7.752 -15.410) 17.250 27.720 ( 0.000 -7.752 15.410) 17.250 ======================= Grid point 180 (56/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.000 0.494 -7.166) 7.183 1.544 ( 0.000 0.494 7.166) 7.183 1.578 ( 0.000 -2.550 -2.036) 3.263 1.578 ( 0.000 -2.550 2.036) 3.263 1.959 ( 0.000 14.410 -11.150) 18.220 1.959 ( 0.000 14.410 11.150) 18.220 2.086 ( 0.000 8.154 -2.873) 8.645 2.086 ( 0.000 8.154 2.873) 8.645 2.473 ( 0.000 -4.493 -7.418) 8.673 2.473 ( 0.000 -4.493 7.418) 8.673 2.579 ( 0.000 -9.011 -3.496) 9.665 2.579 ( 0.000 -9.011 3.496) 9.665 2.786 ( 0.000 5.142 -4.335) 6.725 2.786 ( 0.000 5.142 4.335) 6.725 2.895 ( 0.000 -6.554 -5.050) 8.274 2.895 ( 0.000 -6.554 5.050) 8.274 3.255 ( 0.000 5.060 -7.214) 8.812 3.255 ( 0.000 5.060 7.214) 8.812 3.324 ( 0.000 -2.745 -10.092) 10.459 3.324 ( 0.000 -2.745 10.092) 10.459 3.641 ( 0.000 2.325 -3.234) 3.983 3.641 ( 0.000 2.325 3.234) 3.983 3.673 ( 0.000 -0.881 -3.878) 3.977 3.673 ( 0.000 -0.881 3.878) 3.977 4.024 ( 0.000 7.314 -6.628) 9.870 4.024 ( 0.000 7.314 6.628) 9.870 4.146 ( 0.000 -3.792 -1.844) 4.217 4.146 ( 0.000 -3.792 1.844) 4.217 4.356 ( 0.000 4.032 -6.327) 7.503 4.356 ( 0.000 4.032 6.327) 7.503 4.437 ( 0.000 -4.396 -5.454) 7.005 4.437 ( 0.000 -4.396 5.454) 7.005 4.736 ( 0.000 6.616 -14.852) 16.259 4.736 ( 0.000 6.616 14.852) 16.259 4.908 ( 0.000 -9.738 -7.726) 12.430 4.908 ( 0.000 -9.738 7.726) 12.430 6.403 ( 0.000 8.239 -10.202) 13.113 6.403 ( 0.000 8.239 10.202) 13.113 6.524 ( 0.000 -2.380 -14.844) 15.034 6.524 ( 0.000 -2.380 14.844) 15.034 6.893 ( 0.000 5.114 -7.407) 9.000 6.893 ( 0.000 5.114 7.407) 9.000 6.997 ( 0.000 -5.172 -5.535) 7.576 6.997 ( 0.000 -5.172 5.535) 7.576 7.395 ( 0.000 3.277 -2.893) 4.372 7.395 ( 0.000 3.277 2.893) 4.372 7.494 ( 0.000 -6.318 -4.904) 7.998 7.494 ( 0.000 -6.318 4.904) 7.998 7.818 ( 0.000 1.115 -2.918) 3.124 7.818 ( 0.000 1.115 2.918) 3.124 7.887 ( 0.000 -7.082 -3.669) 7.976 7.887 ( 0.000 -7.082 3.669) 7.976 8.624 ( 0.000 8.251 -2.883) 8.741 8.624 ( 0.000 8.251 2.883) 8.741 8.708 ( 0.000 -1.072 -6.062) 6.156 8.708 ( 0.000 -1.072 6.062) 6.156 9.164 ( 0.000 9.455 -10.728) 14.300 9.164 ( 0.000 9.455 10.728) 14.300 9.432 ( 0.000 -16.841 -7.347) 18.373 9.432 ( 0.000 -16.841 7.347) 18.373 10.451 ( 0.000 4.860 -4.251) 6.457 10.451 ( 0.000 4.860 4.251) 6.457 10.552 ( 0.000 -5.457 -6.862) 8.767 10.552 ( 0.000 -5.457 6.862) 8.767 12.647 ( 0.000 6.984 -10.490) 12.602 12.647 ( 0.000 6.984 10.490) 12.602 12.776 ( 0.000 -5.744 -7.885) 9.755 12.776 ( 0.000 -5.744 7.885) 9.755 13.870 ( 0.000 12.022 -11.837) 16.871 13.870 ( 0.000 12.022 11.837) 16.871 14.094 ( 0.000 -10.755 -11.733) 15.916 14.094 ( 0.000 -10.755 11.733) 15.916 14.935 ( 0.000 5.103 -5.793) 7.720 14.935 ( 0.000 5.103 5.793) 7.720 15.044 ( 0.000 -6.143 -7.937) 10.036 15.044 ( 0.000 -6.143 7.937) 10.036 15.887 ( 0.000 6.648 -9.821) 11.859 15.887 ( 0.000 6.648 9.821) 11.859 16.014 ( 0.000 -5.958 -11.621) 13.059 16.014 ( 0.000 -5.958 11.621) 13.059 24.012 ( 0.000 0.987 -2.305) 2.507 24.012 ( 0.000 0.987 2.305) 2.507 24.040 ( 0.000 -1.692 -1.475) 2.245 24.040 ( 0.000 -1.692 1.475) 2.245 24.892 ( 0.000 2.882 -14.356) 14.643 24.892 ( 0.000 2.882 14.356) 14.643 24.932 ( 0.000 -0.747 -17.472) 17.488 24.932 ( 0.000 -0.747 17.472) 17.488 26.564 ( 0.000 -0.378 -3.484) 3.504 26.564 ( 0.000 -0.378 3.484) 3.504 26.577 ( 0.000 -1.531 -4.327) 4.590 26.577 ( 0.000 -1.531 4.327) 4.590 27.270 ( 0.000 5.644 -8.601) 10.287 27.270 ( 0.000 5.644 8.601) 10.287 27.371 ( 0.000 -5.024 -12.504) 13.476 27.371 ( 0.000 -5.024 12.504) 13.476 ======================= Grid point 182 (57/60) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -1.611 3.567 -5.018) 6.363 1.521 ( -1.611 3.567 5.018) 6.363 1.600 ( 1.487 -4.305 -1.931) 4.947 1.600 ( 1.487 -4.305 1.931) 4.947 2.050 ( 6.113 13.050 -8.487) 16.724 2.050 ( 6.113 13.050 8.487) 16.724 2.134 ( 3.583 8.645 -0.659) 9.381 2.134 ( 3.583 8.645 0.659) 9.381 2.468 ( -2.228 -3.591 -4.179) 5.943 2.468 ( -2.228 -3.591 4.179) 5.943 2.566 ( -0.522 -11.657 -4.784) 12.611 2.566 ( -0.522 -11.657 4.784) 12.611 2.822 ( 4.897 7.725 -4.738) 10.301 2.822 ( 4.897 7.725 4.738) 10.301 2.983 ( 8.955 -8.085 -3.587) 12.587 2.983 ( 8.955 -8.085 3.587) 12.587 3.340 ( 7.787 2.365 -5.916) 10.061 3.340 ( 7.787 2.365 5.916) 10.061 3.360 ( 2.702 -0.569 -6.828) 7.365 3.360 ( 2.702 -0.569 6.828) 7.365 3.649 ( 0.223 3.898 -4.527) 5.978 3.649 ( 0.223 3.898 4.527) 5.978 3.719 ( 4.982 -2.813 -1.724) 5.975 3.719 ( 4.982 -2.813 1.724) 5.975 4.098 ( 6.749 6.839 -5.214) 10.932 4.098 ( 6.749 6.839 5.214) 10.932 4.198 ( 4.288 -2.253 -2.864) 5.627 4.198 ( 4.288 -2.253 2.864) 5.627 4.367 ( 1.605 3.964 -2.958) 5.200 4.367 ( 1.605 3.964 2.958) 5.200 4.457 ( 2.653 -4.866 -1.611) 5.772 4.457 ( 2.653 -4.866 1.611) 5.772 4.776 ( 4.937 6.367 -9.938) 12.794 4.776 ( 4.937 6.367 9.938) 12.794 4.941 ( 3.912 -9.017 -6.205) 11.624 4.941 ( 3.912 -9.017 6.205) 11.624 6.339 ( -5.445 5.508 -9.595) 12.331 6.339 ( -5.445 5.508 9.595) 12.331 6.405 ( -9.536 0.043 -13.284) 16.353 6.405 ( -9.536 0.043 13.284) 16.353 6.961 ( 5.105 5.173 -6.702) 9.886 6.961 ( 5.105 5.173 6.702) 9.886 7.054 ( 4.778 -4.169 -4.814) 7.961 7.054 ( 4.778 -4.169 4.814) 7.961 7.360 ( -3.128 2.478 -2.065) 4.493 7.360 ( -3.128 2.478 2.065) 4.493 7.435 ( -4.614 -4.106 -2.471) 6.652 7.435 ( -4.614 -4.106 2.471) 6.652 7.841 ( 1.782 0.400 -2.539) 3.128 7.841 ( 1.782 0.400 2.539) 3.128 7.920 ( 1.953 -8.575 -1.589) 8.937 7.920 ( 1.953 -8.575 1.589) 8.937 8.670 ( 3.969 9.002 -2.756) 10.217 8.670 ( 3.969 9.002 2.756) 10.217 8.755 ( 4.044 -0.368 -5.923) 7.182 8.755 ( 4.044 -0.368 5.923) 7.182 9.172 ( 0.819 7.639 -10.606) 13.097 9.172 ( 0.819 7.639 10.606) 13.097 9.427 ( -0.611 -17.017 -7.013) 18.416 9.427 ( -0.611 -17.017 7.013) 18.416 10.402 ( -4.721 4.265 -4.098) 7.568 10.402 ( -4.721 4.265 4.098) 7.568 10.491 ( -5.878 -4.849 -6.428) 9.969 10.491 ( -5.878 -4.849 6.428) 9.969 12.600 ( -4.313 8.068 -8.681) 12.612 12.600 ( -4.313 8.068 8.681) 12.612 12.751 ( -2.566 -6.964 -7.077) 10.255 12.751 ( -2.566 -6.964 7.077) 10.255 13.708 ( -12.692 12.347 -12.342) 21.584 13.708 ( -12.692 12.347 12.342) 21.584 13.937 ( -12.785 -10.852 -12.313) 20.805 13.937 ( -12.785 -10.852 12.313) 20.805 15.095 ( 13.023 5.100 -7.466) 15.854 15.095 ( 13.023 5.100 7.466) 15.854 15.196 ( 11.302 -5.264 -8.872) 15.302 15.196 ( 11.302 -5.264 8.872) 15.302 15.902 ( 1.957 5.601 -8.705) 10.534 15.902 ( 1.957 5.601 8.705) 10.534 16.018 ( 0.446 -5.791 -11.106) 12.533 16.018 ( 0.446 -5.791 11.106) 12.533 24.015 ( 0.273 1.105 -2.391) 2.648 24.015 ( 0.273 1.105 2.391) 2.648 24.045 ( 0.476 -1.792 -1.685) 2.505 24.045 ( 0.476 -1.792 1.685) 2.505 24.865 ( -2.643 2.530 -11.520) 12.087 24.865 ( -2.643 2.530 11.520) 12.087 24.894 ( -3.380 -0.179 -14.006) 14.409 24.894 ( -3.380 -0.179 14.006) 14.409 26.528 ( -2.635 1.216 -3.415) 4.482 26.528 ( -2.635 1.216 3.415) 4.482 26.570 ( -1.260 -3.049 -3.587) 4.874 26.570 ( -1.260 -3.049 3.587) 4.874 27.301 ( 2.444 5.093 -7.510) 9.397 27.301 ( 2.444 5.093 7.510) 9.397 27.397 ( 2.607 -4.815 -10.598) 11.929 27.397 ( 2.607 -4.815 10.598) 11.929 ======================= Grid point 184 (58/60) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -2.188 7.475 -1.830) 8.001 1.482 ( -2.188 7.475 1.830) 8.001 1.623 ( 0.616 -6.620 -1.393) 6.793 1.623 ( 0.616 -6.620 1.393) 6.793 2.135 ( 2.273 10.476 -5.757) 12.168 2.135 ( 2.273 10.476 5.757) 12.168 2.179 ( 0.783 6.624 -1.568) 6.852 2.179 ( 0.783 6.624 1.568) 6.852 2.420 ( -0.763 -0.761 -3.300) 3.471 2.420 ( -0.763 -0.761 3.300) 3.471 2.573 ( 1.296 -14.238 -2.570) 14.526 2.573 ( 1.296 -14.238 2.570) 14.526 2.942 ( 5.477 12.485 -8.846) 16.252 2.942 ( 5.477 12.485 8.846) 16.252 3.173 ( 7.550 -9.806 -5.411) 13.507 3.173 ( 7.550 -9.806 5.411) 13.507 3.394 ( -0.117 2.715 -2.085) 3.426 3.394 ( -0.117 2.715 2.085) 3.426 3.469 ( 2.364 -4.886 -0.784) 5.484 3.469 ( 2.364 -4.886 0.784) 5.484 3.712 ( 6.777 7.727 -2.769) 10.644 3.712 ( 6.777 7.727 2.769) 10.644 3.837 ( 6.244 -5.100 -2.928) 8.578 3.837 ( 6.244 -5.100 2.928) 8.578 4.226 ( 3.243 4.675 -2.601) 6.256 4.226 ( 3.243 4.675 2.601) 6.256 4.267 ( 3.061 1.848 -3.673) 5.126 4.267 ( 3.061 1.848 3.673) 5.126 4.452 ( 7.108 2.719 -2.767) 8.097 4.452 ( 7.108 2.719 2.767) 8.097 4.560 ( 6.707 -6.169 -4.227) 10.045 4.560 ( 6.707 -6.169 4.227) 10.045 4.983 ( 16.743 6.438 -1.872) 18.035 4.983 ( 16.743 6.438 1.872) 18.035 5.124 ( 16.014 -6.380 -2.609) 17.435 5.124 ( 16.014 -6.380 2.609) 17.435 6.211 ( -7.974 3.197 -9.152) 12.553 6.211 ( -7.974 3.197 9.152) 12.553 6.229 ( -5.959 1.003 -6.506) 8.879 6.229 ( -5.959 1.003 6.506) 8.879 7.054 ( 3.707 6.285 -5.041) 8.868 7.054 ( 3.707 6.285 5.041) 8.868 7.149 ( 3.874 -3.825 -2.788) 6.116 7.149 ( 3.874 -3.825 2.788) 6.116 7.289 ( -3.476 1.547 -0.544) 3.844 7.289 ( -3.476 1.547 0.544) 3.844 7.357 ( -2.516 -2.841 -2.560) 4.578 7.357 ( -2.516 -2.841 2.560) 4.578 7.859 ( -0.623 -0.971 -2.142) 2.433 7.859 ( -0.623 -0.971 2.142) 2.433 7.926 ( -1.875 -7.880 -2.669) 8.528 7.926 ( -1.875 -7.880 2.669) 8.528 8.750 ( 3.397 11.170 -2.591) 11.959 8.750 ( 3.397 11.170 2.591) 11.959 8.835 ( 3.277 1.832 -6.005) 7.082 8.835 ( 3.277 1.832 6.005) 7.082 9.191 ( 0.746 2.604 -10.576) 10.917 9.191 ( 0.746 2.604 10.576) 10.917 9.404 ( -1.696 -17.287 -6.278) 18.470 9.404 ( -1.696 -17.287 6.278) 18.470 10.280 ( -6.936 2.553 -3.931) 8.371 10.280 ( -6.936 2.553 3.931) 8.371 10.337 ( -8.646 -3.257 -5.262) 10.633 10.337 ( -8.646 -3.257 5.262) 10.633 12.497 ( -5.350 9.757 -5.961) 12.624 12.497 ( -5.350 9.757 5.961) 12.624 12.682 ( -3.853 -8.711 -6.023) 11.269 12.682 ( -3.853 -8.711 6.023) 11.269 13.467 ( -10.420 11.966 -14.058) 21.199 13.467 ( -10.420 11.966 14.058) 21.199 13.686 ( -10.956 -10.228 -13.743) 20.335 13.686 ( -10.956 -10.228 13.743) 20.335 15.328 ( 7.614 4.567 -2.925) 9.348 15.328 ( 7.614 4.567 2.925) 9.348 15.388 ( 7.855 -1.389 -1.594) 8.135 15.388 ( 7.855 -1.389 1.594) 8.135 15.981 ( 5.670 0.916 -5.982) 8.293 15.981 ( 5.670 0.916 5.982) 8.293 16.038 ( 1.851 -4.333 -8.621) 9.824 16.038 ( 1.851 -4.333 8.621) 9.824 24.022 ( 0.431 1.410 -2.656) 3.038 24.022 ( 0.431 1.410 2.656) 3.038 24.057 ( 0.757 -2.058 -2.177) 3.090 24.057 ( 0.757 -2.058 2.177) 3.090 24.794 ( -4.018 2.470 -8.862) 10.038 24.794 ( -4.018 2.470 8.862) 10.038 24.818 ( -3.793 0.010 -9.178) 9.931 24.818 ( -3.793 0.010 9.178) 9.931 26.476 ( -2.275 2.033 -3.772) 4.851 26.476 ( -2.275 2.033 3.772) 4.851 26.534 ( -1.986 -3.807 -3.615) 5.613 26.534 ( -1.986 -3.807 3.615) 5.613 27.343 ( 1.591 6.153 -8.188) 10.365 27.343 ( 1.591 6.153 8.188) 10.365 27.466 ( 3.784 -6.203 -10.193) 12.518 27.466 ( 3.784 -6.203 10.193) 12.518 ======================= Grid point 186 (59/60) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -1.611 9.649 -4.004) 10.570 1.442 ( -1.611 9.649 4.004) 10.570 1.621 ( -0.588 -8.530 -1.054) 8.615 1.621 ( -0.588 -8.530 1.054) 8.615 2.159 ( 0.750 6.969 -3.550) 7.857 2.159 ( 0.750 6.969 3.550) 7.857 2.181 ( -0.262 5.238 -1.428) 5.436 2.181 ( -0.262 5.238 1.428) 5.436 2.453 ( 2.989 0.493 -2.366) 3.844 2.453 ( 2.989 0.493 2.366) 3.844 2.602 ( 1.180 -12.980 -4.054) 13.650 2.602 ( 1.180 -12.980 4.054) 13.650 3.024 ( 2.902 15.155 -11.515) 19.253 3.024 ( 2.902 15.155 11.515) 19.253 3.261 ( 1.381 -5.742 -6.407) 8.714 3.261 ( 1.381 -5.742 6.407) 8.714 3.364 ( -1.137 0.801 -1.513) 2.055 3.364 ( -1.137 0.801 1.513) 2.055 3.459 ( -2.352 -7.377 -0.575) 7.764 3.459 ( -2.352 -7.377 0.575) 7.764 3.828 ( 3.712 7.156 -10.518) 13.252 3.828 ( 3.712 7.156 10.518) 13.252 3.941 ( 3.594 -4.710 -8.572) 10.420 3.941 ( 3.594 -4.710 8.572) 10.420 4.241 ( 0.122 4.468 -2.981) 5.373 4.241 ( 0.122 4.468 2.981) 5.373 4.307 ( 0.240 -1.558 -2.547) 2.996 4.307 ( 0.240 -1.558 2.547) 2.996 4.604 ( 6.802 1.189 -5.725) 8.970 4.604 ( 6.802 1.189 5.725) 8.970 4.670 ( 3.663 -4.558 -5.979) 8.363 4.670 ( 3.663 -4.558 5.979) 8.363 5.409 ( 22.552 7.823 -3.800) 24.170 5.409 ( 22.552 7.823 3.800) 24.170 5.526 ( 19.780 -3.265 -2.114) 20.159 5.526 ( 19.780 -3.265 2.114) 20.159 6.086 ( -3.806 3.789 -8.676) 10.203 6.086 ( -3.806 3.789 8.676) 10.203 6.137 ( -3.402 -1.616 -6.482) 7.497 6.137 ( -3.402 -1.616 6.482) 7.497 7.099 ( 0.789 6.348 -3.501) 7.292 7.099 ( 0.789 6.348 3.501) 7.292 7.179 ( -0.748 -3.458 -1.250) 3.752 7.179 ( -0.748 -3.458 1.250) 3.752 7.248 ( -0.533 1.522 -1.854) 2.457 7.248 ( -0.533 1.522 1.854) 2.457 7.337 ( -0.070 -3.824 -3.481) 5.172 7.337 ( -0.070 -3.824 3.481) 5.172 7.807 ( -4.600 -2.572 -1.767) 5.558 7.807 ( -4.600 -2.572 1.767) 5.558 7.848 ( -4.634 -5.793 -3.803) 8.336 7.848 ( -4.634 -5.793 3.803) 8.336 8.798 ( 1.439 13.437 -2.684) 13.778 8.798 ( 1.439 13.437 2.684) 13.778 8.875 ( 0.811 4.517 -6.799) 8.203 8.875 ( 0.811 4.517 6.799) 8.203 9.193 ( -0.423 -1.744 -10.903) 11.050 9.193 ( -0.423 -1.744 10.903) 11.050 9.368 ( -1.581 -17.671 -5.782) 18.660 9.368 ( -1.581 -17.671 5.782) 18.660 10.146 ( -5.771 1.871 -5.633) 8.279 10.146 ( -5.771 1.871 5.633) 8.279 10.194 ( -4.804 -2.927 -4.633) 7.288 10.194 ( -4.804 -2.927 4.633) 7.288 12.407 ( -3.344 10.870 -4.389) 12.190 12.407 ( -3.344 10.870 4.389) 12.190 12.616 ( -2.410 -10.083 -5.554) 11.761 12.616 ( -2.410 -10.083 5.554) 11.761 13.307 ( -5.474 11.865 -14.922) 19.834 13.307 ( -5.474 11.865 14.922) 19.834 13.523 ( -5.326 -9.987 -14.767) 18.605 13.523 ( -5.326 -9.987 14.767) 18.605 15.389 ( 0.449 8.229 -13.488) 15.807 15.389 ( 0.449 8.229 13.488) 15.807 15.511 ( 3.798 -3.417 -14.119) 15.015 15.511 ( 3.798 -3.417 14.119) 15.015 16.064 ( 2.340 0.093 -7.726) 8.073 16.064 ( 2.340 0.093 7.726) 8.073 16.116 ( 4.846 -4.685 -4.930) 8.351 16.116 ( 4.846 -4.685 4.930) 8.351 24.031 ( 0.348 1.746 -2.999) 3.487 24.031 ( 0.348 1.746 2.999) 3.487 24.072 ( 0.605 -2.351 -2.660) 3.601 24.072 ( 0.605 -2.351 2.660) 3.601 24.724 ( -2.626 2.642 -10.061) 10.729 24.724 ( -2.626 2.642 10.061) 10.729 24.753 ( -2.534 -0.385 -9.261) 9.609 24.753 ( -2.534 -0.385 9.261) 9.609 26.441 ( -1.218 2.139 -4.164) 4.837 26.441 ( -1.218 2.139 4.164) 4.837 26.500 ( -1.249 -3.833 -3.798) 5.539 26.500 ( -1.249 -3.833 3.798) 5.539 27.365 ( 0.680 8.200 -8.550) 11.867 27.365 ( 0.680 8.200 8.550) 11.867 27.529 ( 2.297 -8.270 -10.855) 13.839 27.529 ( 2.297 -8.270 10.855) 13.839 ======================= Grid point 188 (60/60) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 10.102 -5.106) 11.319 1.425 ( -0.000 10.102 5.106) 11.319 1.613 ( 0.000 -9.009 -1.227) 9.092 1.613 ( 0.000 -9.009 1.227) 9.092 2.170 ( -0.000 5.608 -3.521) 6.622 2.170 ( -0.000 5.608 3.521) 6.622 2.175 ( 0.000 5.238 -5.512) 7.604 2.175 ( 0.000 5.238 5.512) 7.604 2.491 ( 0.000 -0.542 -0.302) 0.620 2.491 ( 0.000 -0.542 0.302) 0.620 2.614 ( 0.000 -11.571 -7.374) 13.721 2.614 ( 0.000 -11.571 7.374) 13.721 3.056 ( 0.000 16.686 -12.419) 20.800 3.056 ( 0.000 16.686 12.419) 20.800 3.255 ( 0.000 0.931 -6.399) 6.467 3.255 ( 0.000 0.931 6.399) 6.467 3.379 ( 0.000 -3.607 -7.382) 8.216 3.379 ( 0.000 -3.607 7.382) 8.216 3.412 ( -0.000 -10.252 -3.976) 10.996 3.412 ( -0.000 -10.252 3.976) 10.996 3.863 ( 0.000 7.775 -11.967) 14.271 3.863 ( 0.000 7.775 11.967) 14.271 3.975 ( -0.000 -3.888 -9.988) 10.718 3.975 ( 0.000 -3.888 9.988) 10.718 4.247 ( 0.000 2.795 -2.570) 3.797 4.247 ( 0.000 2.795 2.570) 3.797 4.300 ( 0.000 -2.703 -3.245) 4.224 4.300 ( 0.000 -2.703 3.245) 4.224 4.690 ( -0.000 -1.579 -5.752) 5.965 4.690 ( -0.000 -1.579 5.752) 5.965 4.695 ( 0.000 -1.271 -6.973) 7.088 4.695 ( 0.000 -1.271 6.973) 7.088 5.698 ( 0.000 5.594 -6.944) 8.917 5.698 ( -0.000 5.594 6.944) 8.917 5.727 ( 0.000 2.581 -6.398) 6.899 5.727 ( 0.000 2.581 6.398) 6.899 6.063 ( 0.000 1.976 -9.908) 10.103 6.063 ( 0.000 1.976 9.908) 10.103 6.095 ( -0.000 -2.046 -5.916) 6.260 6.095 ( -0.000 -2.046 5.916) 6.260 7.102 ( 0.000 5.794 -2.976) 6.514 7.102 ( 0.000 5.794 2.976) 6.514 7.163 ( 0.000 -2.477 -1.118) 2.718 7.163 ( 0.000 -2.477 1.118) 2.718 7.244 ( 0.000 0.823 -2.703) 2.825 7.244 ( 0.000 0.823 2.703) 2.825 7.337 ( 0.000 -6.337 -1.981) 6.640 7.337 ( 0.000 -6.337 1.981) 6.640 7.732 ( 0.000 -0.016 -3.311) 3.311 7.732 ( 0.000 -0.016 3.311) 3.311 7.800 ( 0.000 -6.669 -4.050) 7.802 7.800 ( 0.000 -6.669 4.050) 7.802 8.811 ( 0.000 14.296 -2.641) 14.537 8.811 ( 0.000 14.296 2.641) 14.537 8.880 ( 0.000 5.482 -7.369) 9.185 8.880 ( 0.000 5.482 7.369) 9.185 9.186 ( 0.000 -2.905 -11.098) 11.472 9.186 ( 0.000 -2.905 11.098) 11.472 9.351 ( 0.000 -18.015 -5.440) 18.818 9.351 ( 0.000 -18.015 5.440) 18.818 10.084 ( 0.000 2.612 -6.079) 6.617 10.084 ( 0.000 2.612 6.079) 6.617 10.148 ( 0.000 -3.843 -4.680) 6.056 10.148 ( 0.000 -3.843 4.680) 6.056 12.373 ( 0.000 11.229 -3.972) 11.911 12.373 ( 0.000 11.229 3.972) 11.911 12.592 ( 0.000 -10.729 -5.533) 12.072 12.592 ( 0.000 -10.729 5.533) 12.072 13.252 ( 0.000 12.135 -14.958) 19.261 13.252 ( 0.000 12.135 14.958) 19.261 13.470 ( 0.000 -10.064 -14.990) 18.055 13.470 ( 0.000 -10.064 14.990) 18.055 15.390 ( 0.000 9.796 -14.172) 17.228 15.390 ( 0.000 9.796 14.172) 17.228 15.546 ( 0.000 -5.125 -15.620) 16.439 15.546 ( 0.000 -5.125 15.620) 16.439 16.090 ( 0.000 1.589 -7.517) 7.683 16.090 ( 0.000 1.589 7.517) 7.683 16.169 ( 0.000 -5.810 -5.324) 7.881 16.169 ( 0.000 -5.810 5.324) 7.881 24.034 ( -0.000 1.895 -3.165) 3.689 24.034 ( -0.000 1.895 3.165) 3.689 24.078 ( 0.000 -2.476 -2.863) 3.785 24.078 ( 0.000 -2.476 2.863) 3.785 24.697 ( 0.000 2.575 -9.979) 10.305 24.697 ( 0.000 2.575 9.979) 10.305 24.726 ( 0.000 -0.474 -8.653) 8.666 24.726 ( -0.000 -0.474 8.653) 8.666 26.429 ( 0.000 2.135 -4.303) 4.803 26.429 ( 0.000 2.135 4.303) 4.803 26.488 ( 0.000 -3.779 -3.863) 5.404 26.488 ( 0.000 -3.779 3.863) 5.404 27.371 ( 0.000 9.055 -8.408) 12.357 27.371 ( 0.000 9.055 8.408) 12.357 27.553 ( 0.000 -9.094 -10.927) 14.217 27.553 ( 0.000 -9.094 10.927) 14.217 =================== 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 3/21504 10.0 376.677 559.307 364.671 0.000 0.000 0.000 3/21504 20.0 54.726 90.763 59.269 0.000 0.000 -0.000 3/21504 30.0 22.549 37.637 24.161 0.000 0.000 -0.000 3/21504 40.0 13.600 22.219 14.187 0.000 0.000 -0.000 3/21504 50.0 9.884 15.538 9.959 0.000 0.000 -0.000 3/21504 60.0 7.894 11.932 7.708 0.000 0.000 -0.000 3/21504 70.0 6.636 9.711 6.324 0.000 0.000 -0.000 3/21504 80.0 5.754 8.217 5.389 0.000 0.000 -0.000 3/21504 90.0 5.094 7.147 4.714 0.000 0.000 -0.000 3/21504 100.0 4.580 6.345 4.204 0.000 0.000 -0.000 3/21504 110.0 4.166 5.719 3.805 0.000 0.000 -0.000 3/21504 120.0 3.826 5.218 3.484 0.000 0.000 -0.000 3/21504 130.0 3.541 4.806 3.220 0.000 0.000 -0.000 3/21504 140.0 3.300 4.460 2.999 0.000 0.000 -0.000 3/21504 150.0 3.091 4.165 2.811 0.000 0.000 -0.000 3/21504 160.0 2.910 3.911 2.649 0.000 0.000 -0.000 3/21504 170.0 2.750 3.688 2.507 0.000 0.000 -0.000 3/21504 180.0 2.608 3.491 2.383 0.000 0.000 -0.000 3/21504 190.0 2.481 3.316 2.271 0.000 0.000 -0.000 3/21504 200.0 2.367 3.158 2.172 0.000 0.000 -0.000 3/21504 210.0 2.263 3.016 2.082 0.000 0.000 -0.000 3/21504 220.0 2.168 2.887 2.000 0.000 0.000 -0.000 3/21504 230.0 2.082 2.768 1.925 0.000 0.000 -0.000 3/21504 240.0 2.002 2.660 1.856 0.000 0.000 -0.000 3/21504 250.0 1.928 2.560 1.793 0.000 0.000 -0.000 3/21504 260.0 1.860 2.468 1.734 0.000 0.000 -0.000 3/21504 270.0 1.797 2.382 1.679 0.000 0.000 0.000 3/21504 280.0 1.737 2.302 1.628 0.000 0.000 0.000 3/21504 290.0 1.682 2.228 1.580 0.000 0.000 0.000 3/21504 300.0 1.630 2.158 1.536 0.000 0.000 0.000 3/21504 310.0 1.582 2.093 1.493 0.000 0.000 0.000 3/21504 320.0 1.536 2.031 1.454 0.000 0.000 0.000 3/21504 330.0 1.492 1.974 1.416 0.000 0.000 0.000 3/21504 340.0 1.452 1.919 1.381 0.000 0.000 0.000 3/21504 350.0 1.413 1.867 1.347 0.000 0.000 0.000 3/21504 360.0 1.376 1.819 1.315 0.000 0.000 0.000 3/21504 370.0 1.341 1.772 1.284 0.000 0.000 0.000 3/21504 380.0 1.308 1.728 1.255 0.000 0.000 0.000 3/21504 390.0 1.277 1.686 1.227 0.000 0.000 0.000 3/21504 400.0 1.247 1.647 1.201 0.000 0.000 0.000 3/21504 410.0 1.218 1.609 1.175 0.000 0.000 0.000 3/21504 420.0 1.191 1.572 1.151 0.000 0.000 0.000 3/21504 430.0 1.165 1.538 1.128 0.000 0.000 0.000 3/21504 440.0 1.140 1.504 1.105 0.000 0.000 0.000 3/21504 450.0 1.116 1.473 1.084 0.000 0.000 0.000 3/21504 460.0 1.093 1.442 1.063 0.000 0.000 0.000 3/21504 470.0 1.070 1.413 1.043 0.000 0.000 0.000 3/21504 480.0 1.049 1.385 1.024 0.000 0.000 0.000 3/21504 490.0 1.029 1.358 1.005 0.000 0.000 0.000 3/21504 500.0 1.009 1.332 0.987 0.000 0.000 0.000 3/21504 510.0 0.990 1.307 0.970 0.000 0.000 0.000 3/21504 520.0 0.972 1.283 0.954 0.000 0.000 0.000 3/21504 530.0 0.955 1.260 0.937 0.000 0.000 0.000 3/21504 540.0 0.938 1.238 0.922 0.000 0.000 0.000 3/21504 550.0 0.921 1.216 0.907 0.000 0.000 0.000 3/21504 560.0 0.906 1.195 0.892 0.000 0.000 0.000 3/21504 570.0 0.890 1.175 0.878 0.000 0.000 0.000 3/21504 580.0 0.875 1.156 0.864 0.000 0.000 0.000 3/21504 590.0 0.861 1.137 0.851 0.000 0.000 0.000 3/21504 600.0 0.847 1.119 0.838 0.000 0.000 0.000 3/21504 610.0 0.834 1.101 0.826 0.000 0.000 0.000 3/21504 620.0 0.821 1.084 0.814 0.000 0.000 0.000 3/21504 630.0 0.808 1.067 0.802 0.000 0.000 0.000 3/21504 640.0 0.796 1.051 0.790 0.000 0.000 0.000 3/21504 650.0 0.784 1.035 0.779 0.000 0.000 0.000 3/21504 660.0 0.773 1.020 0.768 0.000 0.000 0.000 3/21504 670.0 0.762 1.006 0.758 0.000 0.000 0.000 3/21504 680.0 0.751 0.991 0.748 0.000 0.000 0.000 3/21504 690.0 0.740 0.977 0.738 0.000 0.000 0.000 3/21504 700.0 0.730 0.964 0.728 0.000 0.000 0.000 3/21504 710.0 0.720 0.951 0.718 0.000 0.000 0.000 3/21504 720.0 0.710 0.938 0.709 0.000 0.000 0.000 3/21504 730.0 0.701 0.925 0.700 0.000 0.000 0.000 3/21504 740.0 0.692 0.913 0.691 0.000 0.000 0.000 3/21504 750.0 0.683 0.901 0.683 0.000 0.000 0.000 3/21504 760.0 0.674 0.890 0.674 0.000 0.000 0.000 3/21504 770.0 0.665 0.879 0.666 0.000 0.000 0.000 3/21504 780.0 0.657 0.868 0.658 0.000 0.000 0.000 3/21504 790.0 0.649 0.857 0.650 0.000 0.000 0.000 3/21504 800.0 0.641 0.847 0.643 0.000 0.000 0.000 3/21504 810.0 0.633 0.836 0.635 0.000 0.000 0.000 3/21504 820.0 0.626 0.826 0.628 0.000 0.000 0.000 3/21504 830.0 0.618 0.817 0.621 0.000 0.000 0.000 3/21504 840.0 0.611 0.807 0.614 0.000 0.000 0.000 3/21504 850.0 0.604 0.798 0.607 0.000 0.000 0.000 3/21504 860.0 0.597 0.789 0.600 0.000 0.000 0.000 3/21504 870.0 0.591 0.780 0.594 0.000 0.000 0.000 3/21504 880.0 0.584 0.771 0.588 0.000 0.000 0.000 3/21504 890.0 0.578 0.763 0.581 0.000 0.000 0.000 3/21504 900.0 0.571 0.755 0.575 0.000 0.000 0.000 3/21504 910.0 0.565 0.746 0.569 0.000 0.000 0.000 3/21504 920.0 0.559 0.739 0.563 0.000 0.000 0.000 3/21504 930.0 0.553 0.731 0.558 0.000 0.000 0.000 3/21504 940.0 0.547 0.723 0.552 0.000 0.000 0.000 3/21504 950.0 0.542 0.716 0.546 0.000 0.000 0.000 3/21504 960.0 0.536 0.708 0.541 0.000 0.000 0.000 3/21504 970.0 0.531 0.701 0.536 0.000 0.000 0.000 3/21504 980.0 0.526 0.694 0.530 0.000 0.000 0.000 3/21504 990.0 0.520 0.687 0.525 0.000 0.000 0.000 3/21504 1000.0 0.515 0.681 0.520 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m874.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:58:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|