----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:14:03]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.120448859999998 0.000000000000000 0.000000000000000 b 0.000000000000000 4.240775050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.703166260000000 Atomic positions (fractional): *1 La 0.98676517199493 0.75000000000000 0.26544947331048 138.905 2 La 0.01323482800507 0.25000000000000 0.73455052668952 138.905 3 La 0.48676517199493 0.75000000000000 0.23455052668952 138.905 4 La 0.51323482800507 0.25000000000000 0.76544947331048 138.905 *5 Ba 0.71837606620142 0.75000000000000 0.50490686228399 137.327 6 Ba 0.28162393379858 0.25000000000000 0.49509313771601 137.327 7 Ba 0.21837606620142 0.75000000000000 0.99509313771601 137.327 8 Ba 0.78162393379858 0.25000000000000 0.00490686228399 137.327 *9 Cu 0.76221387327213 0.75000000000000 0.78214498246079 63.546 10 Cu 0.23778612672787 0.25000000000000 0.21785501753921 63.546 11 Cu 0.26221387327214 0.75000000000000 0.71785501753921 63.546 12 Cu 0.73778612672787 0.25000000000000 0.28214498246079 63.546 *13 Se 0.94691680331020 0.75000000000000 0.87902243460864 78.960 14 Se 0.05308319668980 0.25000000000000 0.12097756539136 78.960 15 Se 0.44691680331020 0.75000000000000 0.62097756539136 78.960 16 Se 0.55308319668980 0.25000000000000 0.37902243460864 78.960 *17 Se 0.74340445662014 0.75000000000000 0.18199913814477 78.960 18 Se 0.25659554337986 0.25000000000000 0.81800086185523 78.960 19 Se 0.24340445662014 0.75000000000000 0.31800086185523 78.960 20 Se 0.75659554337986 0.25000000000000 0.68199913814477 78.960 *21 Se 0.59664471702733 0.75000000000000 0.89905895225213 78.960 22 Se 0.40335528297267 0.25000000000000 0.10094104774787 78.960 23 Se 0.09664471702733 0.75000000000000 0.60094104774787 78.960 24 Se 0.90335528297267 0.25000000000000 0.39905895225213 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.120448859999998 0.000000000000000 0.000000000000000 b 0.000000000000000 4.240775050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.703166260000000 Atomic positions (fractional): *1 La 0.98676517199493 0.75000000000000 0.26544947331048 138.905 > 1 2 La 0.01323482800507 0.25000000000000 0.73455052668952 138.905 > 2 3 La 0.48676517199493 0.75000000000000 0.23455052668952 138.905 > 3 4 La 0.51323482800507 0.25000000000000 0.76544947331048 138.905 > 4 *5 Ba 0.71837606620142 0.75000000000000 0.50490686228399 137.327 > 5 6 Ba 0.28162393379858 0.25000000000000 0.49509313771601 137.327 > 6 7 Ba 0.21837606620142 0.75000000000000 0.99509313771601 137.327 > 7 8 Ba 0.78162393379858 0.25000000000000 0.00490686228399 137.327 > 8 *9 Cu 0.76221387327213 0.75000000000000 0.78214498246079 63.546 > 9 10 Cu 0.23778612672787 0.25000000000000 0.21785501753921 63.546 > 10 11 Cu 0.26221387327214 0.75000000000000 0.71785501753921 63.546 > 11 12 Cu 0.73778612672787 0.25000000000000 0.28214498246079 63.546 > 12 *13 Se 0.94691680331020 0.75000000000000 0.87902243460864 78.960 > 13 14 Se 0.05308319668980 0.25000000000000 0.12097756539136 78.960 > 14 15 Se 0.44691680331020 0.75000000000000 0.62097756539136 78.960 > 15 16 Se 0.55308319668980 0.25000000000000 0.37902243460864 78.960 > 16 *17 Se 0.74340445662014 0.75000000000000 0.18199913814477 78.960 > 17 18 Se 0.25659554337986 0.25000000000000 0.81800086185523 78.960 > 18 19 Se 0.24340445662014 0.75000000000000 0.31800086185523 78.960 > 19 20 Se 0.75659554337986 0.25000000000000 0.68199913814477 78.960 > 20 *21 Se 0.59664471702733 0.75000000000000 0.89905895225213 78.960 > 21 22 Se 0.40335528297267 0.25000000000000 0.10094104774787 78.960 > 22 23 Se 0.09664471702733 0.75000000000000 0.60094104774787 78.960 > 23 24 Se 0.90335528297267 0.25000000000000 0.39905895225213 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.240897719999996 0.000000000000000 0.000000000000000 b 0.000000000000000 12.722325150000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.703166260000000 Atomic positions (fractional): *1 La 0.49338258599746 0.25000000000000 0.26544947331048 138.905 > 1 2 La 0.99338258599746 0.25000000000000 0.26544947331048 138.905 > 1 3 La 0.49338258599746 0.58333333333333 0.26544947331048 138.905 > 1 4 La 0.99338258599746 0.58333333333333 0.26544947331048 138.905 > 1 5 La 0.49338258599746 0.91666666666667 0.26544947331048 138.905 > 1 6 La 0.99338258599746 0.91666666666667 0.26544947331048 138.905 > 1 7 La 0.00661741400254 0.08333333333333 0.73455052668952 138.905 > 2 8 La 0.50661741400254 0.08333333333333 0.73455052668952 138.905 > 2 9 La 0.00661741400254 0.41666666666667 0.73455052668952 138.905 > 2 10 La 0.50661741400254 0.41666666666667 0.73455052668952 138.905 > 2 11 La 0.00661741400254 0.75000000000000 0.73455052668952 138.905 > 2 12 La 0.50661741400254 0.75000000000000 0.73455052668952 138.905 > 2 13 La 0.24338258599746 0.25000000000000 0.23455052668952 138.905 > 3 14 La 0.74338258599746 0.25000000000000 0.23455052668952 138.905 > 3 15 La 0.24338258599746 0.58333333333333 0.23455052668952 138.905 > 3 16 La 0.74338258599746 0.58333333333333 0.23455052668952 138.905 > 3 17 La 0.24338258599746 0.91666666666667 0.23455052668952 138.905 > 3 18 La 0.74338258599746 0.91666666666667 0.23455052668952 138.905 > 3 19 La 0.25661741400254 0.08333333333333 0.76544947331048 138.905 > 4 20 La 0.75661741400254 0.08333333333333 0.76544947331048 138.905 > 4 21 La 0.25661741400254 0.41666666666667 0.76544947331048 138.905 > 4 22 La 0.75661741400254 0.41666666666667 0.76544947331048 138.905 > 4 23 La 0.25661741400254 0.75000000000000 0.76544947331048 138.905 > 4 24 La 0.75661741400254 0.75000000000000 0.76544947331048 138.905 > 4 *25 Ba 0.35918803310071 0.25000000000000 0.50490686228399 137.327 > 5 26 Ba 0.85918803310071 0.25000000000000 0.50490686228399 137.327 > 5 27 Ba 0.35918803310071 0.58333333333333 0.50490686228399 137.327 > 5 28 Ba 0.85918803310071 0.58333333333333 0.50490686228399 137.327 > 5 29 Ba 0.35918803310071 0.91666666666667 0.50490686228399 137.327 > 5 30 Ba 0.85918803310071 0.91666666666667 0.50490686228399 137.327 > 5 31 Ba 0.14081196689929 0.08333333333333 0.49509313771601 137.327 > 6 32 Ba 0.64081196689929 0.08333333333333 0.49509313771601 137.327 > 6 33 Ba 0.14081196689929 0.41666666666667 0.49509313771601 137.327 > 6 34 Ba 0.64081196689929 0.41666666666667 0.49509313771601 137.327 > 6 35 Ba 0.14081196689929 0.75000000000000 0.49509313771601 137.327 > 6 36 Ba 0.64081196689929 0.75000000000000 0.49509313771601 137.327 > 6 37 Ba 0.10918803310071 0.25000000000000 0.99509313771601 137.327 > 7 38 Ba 0.60918803310071 0.25000000000000 0.99509313771601 137.327 > 7 39 Ba 0.10918803310071 0.58333333333333 0.99509313771601 137.327 > 7 40 Ba 0.60918803310071 0.58333333333333 0.99509313771601 137.327 > 7 41 Ba 0.10918803310071 0.91666666666667 0.99509313771601 137.327 > 7 42 Ba 0.60918803310071 0.91666666666667 0.99509313771601 137.327 > 7 43 Ba 0.39081196689929 0.08333333333333 0.00490686228399 137.327 > 8 44 Ba 0.89081196689929 0.08333333333333 0.00490686228399 137.327 > 8 45 Ba 0.39081196689929 0.41666666666667 0.00490686228399 137.327 > 8 46 Ba 0.89081196689929 0.41666666666667 0.00490686228399 137.327 > 8 47 Ba 0.39081196689929 0.75000000000000 0.00490686228399 137.327 > 8 48 Ba 0.89081196689929 0.75000000000000 0.00490686228399 137.327 > 8 *49 Cu 0.38110693663607 0.25000000000000 0.78214498246079 63.546 > 9 50 Cu 0.88110693663607 0.25000000000000 0.78214498246079 63.546 > 9 51 Cu 0.38110693663607 0.58333333333333 0.78214498246079 63.546 > 9 52 Cu 0.88110693663607 0.58333333333333 0.78214498246079 63.546 > 9 53 Cu 0.38110693663607 0.91666666666667 0.78214498246079 63.546 > 9 54 Cu 0.88110693663607 0.91666666666667 0.78214498246079 63.546 > 9 55 Cu 0.11889306336393 0.08333333333333 0.21785501753921 63.546 > 10 56 Cu 0.61889306336393 0.08333333333333 0.21785501753921 63.546 > 10 57 Cu 0.11889306336393 0.41666666666667 0.21785501753921 63.546 > 10 58 Cu 0.61889306336393 0.41666666666667 0.21785501753921 63.546 > 10 59 Cu 0.11889306336393 0.75000000000000 0.21785501753921 63.546 > 10 60 Cu 0.61889306336393 0.75000000000000 0.21785501753921 63.546 > 10 61 Cu 0.13110693663607 0.25000000000000 0.71785501753921 63.546 > 11 62 Cu 0.63110693663607 0.25000000000000 0.71785501753921 63.546 > 11 63 Cu 0.13110693663607 0.58333333333333 0.71785501753921 63.546 > 11 64 Cu 0.63110693663607 0.58333333333333 0.71785501753921 63.546 > 11 65 Cu 0.13110693663607 0.91666666666667 0.71785501753921 63.546 > 11 66 Cu 0.63110693663607 0.91666666666667 0.71785501753921 63.546 > 11 67 Cu 0.36889306336393 0.08333333333333 0.28214498246079 63.546 > 12 68 Cu 0.86889306336393 0.08333333333333 0.28214498246079 63.546 > 12 69 Cu 0.36889306336393 0.41666666666667 0.28214498246079 63.546 > 12 70 Cu 0.86889306336393 0.41666666666667 0.28214498246079 63.546 > 12 71 Cu 0.36889306336393 0.75000000000000 0.28214498246079 63.546 > 12 72 Cu 0.86889306336393 0.75000000000000 0.28214498246079 63.546 > 12 *73 Se 0.47345840165510 0.25000000000000 0.87902243460864 78.960 > 13 74 Se 0.97345840165510 0.25000000000000 0.87902243460864 78.960 > 13 75 Se 0.47345840165510 0.58333333333333 0.87902243460864 78.960 > 13 76 Se 0.97345840165510 0.58333333333333 0.87902243460864 78.960 > 13 77 Se 0.47345840165510 0.91666666666667 0.87902243460864 78.960 > 13 78 Se 0.97345840165510 0.91666666666667 0.87902243460864 78.960 > 13 79 Se 0.02654159834490 0.08333333333333 0.12097756539136 78.960 > 14 80 Se 0.52654159834490 0.08333333333333 0.12097756539136 78.960 > 14 81 Se 0.02654159834490 0.41666666666667 0.12097756539136 78.960 > 14 82 Se 0.52654159834490 0.41666666666667 0.12097756539136 78.960 > 14 83 Se 0.02654159834490 0.75000000000000 0.12097756539136 78.960 > 14 84 Se 0.52654159834490 0.75000000000000 0.12097756539136 78.960 > 14 85 Se 0.22345840165510 0.25000000000000 0.62097756539136 78.960 > 15 86 Se 0.72345840165510 0.25000000000000 0.62097756539136 78.960 > 15 87 Se 0.22345840165510 0.58333333333333 0.62097756539136 78.960 > 15 88 Se 0.72345840165510 0.58333333333333 0.62097756539136 78.960 > 15 89 Se 0.22345840165510 0.91666666666667 0.62097756539136 78.960 > 15 90 Se 0.72345840165510 0.91666666666667 0.62097756539136 78.960 > 15 91 Se 0.27654159834490 0.08333333333333 0.37902243460864 78.960 > 16 92 Se 0.77654159834490 0.08333333333333 0.37902243460864 78.960 > 16 93 Se 0.27654159834490 0.41666666666667 0.37902243460864 78.960 > 16 94 Se 0.77654159834490 0.41666666666667 0.37902243460864 78.960 > 16 95 Se 0.27654159834490 0.75000000000000 0.37902243460864 78.960 > 16 96 Se 0.77654159834490 0.75000000000000 0.37902243460864 78.960 > 16 *97 Se 0.37170222831007 0.25000000000000 0.18199913814477 78.960 > 17 98 Se 0.87170222831007 0.25000000000000 0.18199913814477 78.960 > 17 99 Se 0.37170222831007 0.58333333333333 0.18199913814477 78.960 > 17 100 Se 0.87170222831007 0.58333333333333 0.18199913814477 78.960 > 17 101 Se 0.37170222831007 0.91666666666667 0.18199913814477 78.960 > 17 102 Se 0.87170222831007 0.91666666666667 0.18199913814477 78.960 > 17 103 Se 0.12829777168993 0.08333333333333 0.81800086185523 78.960 > 18 104 Se 0.62829777168993 0.08333333333333 0.81800086185523 78.960 > 18 105 Se 0.12829777168993 0.41666666666667 0.81800086185523 78.960 > 18 106 Se 0.62829777168993 0.41666666666667 0.81800086185523 78.960 > 18 107 Se 0.12829777168993 0.75000000000000 0.81800086185523 78.960 > 18 108 Se 0.62829777168993 0.75000000000000 0.81800086185523 78.960 > 18 109 Se 0.12170222831007 0.25000000000000 0.31800086185523 78.960 > 19 110 Se 0.62170222831007 0.25000000000000 0.31800086185523 78.960 > 19 111 Se 0.12170222831007 0.58333333333333 0.31800086185523 78.960 > 19 112 Se 0.62170222831007 0.58333333333333 0.31800086185523 78.960 > 19 113 Se 0.12170222831007 0.91666666666667 0.31800086185523 78.960 > 19 114 Se 0.62170222831007 0.91666666666667 0.31800086185523 78.960 > 19 115 Se 0.37829777168993 0.08333333333333 0.68199913814477 78.960 > 20 116 Se 0.87829777168993 0.08333333333333 0.68199913814477 78.960 > 20 117 Se 0.37829777168993 0.41666666666667 0.68199913814477 78.960 > 20 118 Se 0.87829777168993 0.41666666666667 0.68199913814477 78.960 > 20 119 Se 0.37829777168993 0.75000000000000 0.68199913814477 78.960 > 20 120 Se 0.87829777168993 0.75000000000000 0.68199913814477 78.960 > 20 *121 Se 0.29832235851366 0.25000000000000 0.89905895225213 78.960 > 21 122 Se 0.79832235851366 0.25000000000000 0.89905895225213 78.960 > 21 123 Se 0.29832235851366 0.58333333333333 0.89905895225213 78.960 > 21 124 Se 0.79832235851366 0.58333333333333 0.89905895225213 78.960 > 21 125 Se 0.29832235851366 0.91666666666667 0.89905895225213 78.960 > 21 126 Se 0.79832235851366 0.91666666666667 0.89905895225213 78.960 > 21 127 Se 0.20167764148634 0.08333333333333 0.10094104774787 78.960 > 22 128 Se 0.70167764148634 0.08333333333333 0.10094104774787 78.960 > 22 129 Se 0.20167764148634 0.41666666666667 0.10094104774787 78.960 > 22 130 Se 0.70167764148634 0.41666666666667 0.10094104774787 78.960 > 22 131 Se 0.20167764148634 0.75000000000000 0.10094104774787 78.960 > 22 132 Se 0.70167764148634 0.75000000000000 0.10094104774787 78.960 > 22 133 Se 0.04832235851366 0.25000000000000 0.60094104774787 78.960 > 23 134 Se 0.54832235851366 0.25000000000000 0.60094104774787 78.960 > 23 135 Se 0.04832235851366 0.58333333333333 0.60094104774787 78.960 > 23 136 Se 0.54832235851366 0.58333333333333 0.60094104774787 78.960 > 23 137 Se 0.04832235851366 0.91666666666667 0.60094104774787 78.960 > 23 138 Se 0.54832235851366 0.91666666666667 0.60094104774787 78.960 > 23 139 Se 0.45167764148634 0.08333333333333 0.39905895225213 78.960 > 24 140 Se 0.95167764148634 0.08333333333333 0.39905895225213 78.960 > 24 141 Se 0.45167764148634 0.41666666666667 0.39905895225213 78.960 > 24 142 Se 0.95167764148634 0.41666666666667 0.39905895225213 78.960 > 24 143 Se 0.45167764148634 0.75000000000000 0.39905895225213 78.960 > 24 144 Se 0.95167764148634 0.75000000000000 0.39905895225213 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1406713 0.0000000 0.0000000 0.0000000 8.4361579 0.0000000 0.0000000 0.0000000 7.1718024 -------------------------- Born effective charges -------------------------- 1 La 4.8851525 0.0000000 -0.7307641 0.0000000 4.4221491 0.0000000 -0.3905131 0.0000000 2.4573832 2 La 4.8851525 0.0000000 -0.7307641 0.0000000 4.4221491 0.0000000 -0.3905131 0.0000000 2.4573832 3 La 4.8851525 0.0000000 0.7307641 0.0000000 4.4221491 0.0000000 0.3905131 0.0000000 2.4573832 4 La 4.8851525 0.0000000 0.7307641 0.0000000 4.4221491 0.0000000 0.3905131 0.0000000 2.4573832 5 Ba 2.4608647 0.0000000 -0.0288914 0.0000000 2.7636577 0.0000000 -0.1740951 0.0000000 3.5625896 6 Ba 2.4608647 0.0000000 -0.0288914 0.0000000 2.7636577 0.0000000 -0.1740951 0.0000000 3.5625896 7 Ba 2.4608647 0.0000000 0.0288914 0.0000000 2.7636577 0.0000000 0.1740951 0.0000000 3.5625896 8 Ba 2.4608647 0.0000000 0.0288914 0.0000000 2.7636577 0.0000000 0.1740951 0.0000000 3.5625896 9 Cu 0.3216830 0.0000000 0.0476049 0.0000000 0.7005252 0.0000000 0.0237931 0.0000000 0.3661057 10 Cu 0.3216830 0.0000000 0.0476049 0.0000000 0.7005252 0.0000000 0.0237931 0.0000000 0.3661057 11 Cu 0.3216830 0.0000000 -0.0476049 0.0000000 0.7005252 0.0000000 -0.0237931 0.0000000 0.3661057 12 Cu 0.3216830 0.0000000 -0.0476049 0.0000000 0.7005252 0.0000000 -0.0237931 0.0000000 0.3661057 13 Se -2.3024638 0.0000000 0.3825828 0.0000000 -2.7984668 0.0000000 0.1181880 0.0000000 -2.3455474 14 Se -2.3024638 0.0000000 0.3825828 0.0000000 -2.7984668 0.0000000 0.1181880 0.0000000 -2.3455474 15 Se -2.3024638 0.0000000 -0.3825828 0.0000000 -2.7984668 0.0000000 -0.1181880 0.0000000 -2.3455474 16 Se -2.3024638 0.0000000 -0.3825828 0.0000000 -2.7984668 0.0000000 -0.1181880 0.0000000 -2.3455474 17 Se -3.2343812 0.0000000 0.0006128 0.0000000 -2.2170553 0.0000000 0.0440330 0.0000000 -1.8936092 18 Se -3.2343812 0.0000000 0.0006128 0.0000000 -2.2170553 0.0000000 0.0440330 0.0000000 -1.8936092 19 Se -3.2343812 0.0000000 -0.0006128 0.0000000 -2.2170553 0.0000000 -0.0440330 0.0000000 -1.8936092 20 Se -3.2343812 0.0000000 -0.0006128 0.0000000 -2.2170553 0.0000000 -0.0440330 0.0000000 -1.8936092 21 Se -2.1308551 0.0000000 -0.6388640 0.0000000 -2.8708099 0.0000000 -0.4497673 0.0000000 -2.1469219 22 Se -2.1308551 0.0000000 -0.6388640 0.0000000 -2.8708099 0.0000000 -0.4497673 0.0000000 -2.1469219 23 Se -2.1308551 0.0000000 0.6388640 0.0000000 -2.8708099 0.0000000 0.4497673 0.0000000 -2.1469219 24 Se -2.1308551 0.0000000 0.6388640 0.0000000 -2.8708099 0.0000000 0.4497673 0.0000000 -2.1469219 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 0.830 Solver_block: 200 / 400 - Time: 0.987 Solver_block: 300 / 400 - Time: 0.763 Solver_block: 400 / 400 - Time: 0.805 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.660 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:14:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:14:38]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.120448859999998 0.000000000000000 0.000000000000000 b 0.000000000000000 4.240775050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.703166260000000 Atomic positions (fractional): 1 La 0.98676517199493 0.75000000000000 0.26544947331048 138.905 2 La 0.01323482800507 0.25000000000000 0.73455052668952 138.905 3 La 0.48676517199493 0.75000000000000 0.23455052668952 138.905 4 La 0.51323482800507 0.25000000000000 0.76544947331048 138.905 5 Ba 0.71837606620142 0.75000000000000 0.50490686228399 137.327 6 Ba 0.28162393379858 0.25000000000000 0.49509313771601 137.327 7 Ba 0.21837606620142 0.75000000000000 0.99509313771601 137.327 8 Ba 0.78162393379858 0.25000000000000 0.00490686228399 137.327 9 Cu 0.76221387327213 0.75000000000000 0.78214498246079 63.546 10 Cu 0.23778612672787 0.25000000000000 0.21785501753921 63.546 11 Cu 0.26221387327214 0.75000000000000 0.71785501753921 63.546 12 Cu 0.73778612672787 0.25000000000000 0.28214498246079 63.546 13 Se 0.94691680331020 0.75000000000000 0.87902243460864 78.960 14 Se 0.05308319668980 0.25000000000000 0.12097756539136 78.960 15 Se 0.44691680331020 0.75000000000000 0.62097756539136 78.960 16 Se 0.55308319668980 0.25000000000000 0.37902243460864 78.960 17 Se 0.74340445662014 0.75000000000000 0.18199913814477 78.960 18 Se 0.25659554337986 0.25000000000000 0.81800086185523 78.960 19 Se 0.24340445662014 0.75000000000000 0.31800086185523 78.960 20 Se 0.75659554337986 0.25000000000000 0.68199913814477 78.960 21 Se 0.59664471702733 0.75000000000000 0.89905895225213 78.960 22 Se 0.40335528297267 0.25000000000000 0.10094104774787 78.960 23 Se 0.09664471702733 0.75000000000000 0.60094104774787 78.960 24 Se 0.90335528297267 0.25000000000000 0.39905895225213 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.240897719999996 0.000000000000000 0.000000000000000 b 0.000000000000000 12.722325150000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.703166260000000 Atomic positions (fractional): 1 La 0.49338258599746 0.25000000000000 0.26544947331048 138.905 > 1 2 La 0.99338258599746 0.25000000000000 0.26544947331048 138.905 > 1 3 La 0.49338258599746 0.58333333333333 0.26544947331048 138.905 > 1 4 La 0.99338258599746 0.58333333333333 0.26544947331048 138.905 > 1 5 La 0.49338258599746 0.91666666666667 0.26544947331048 138.905 > 1 6 La 0.99338258599746 0.91666666666667 0.26544947331048 138.905 > 1 7 La 0.00661741400254 0.08333333333333 0.73455052668952 138.905 > 7 8 La 0.50661741400254 0.08333333333333 0.73455052668952 138.905 > 7 9 La 0.00661741400254 0.41666666666667 0.73455052668952 138.905 > 7 10 La 0.50661741400254 0.41666666666667 0.73455052668952 138.905 > 7 11 La 0.00661741400254 0.75000000000000 0.73455052668952 138.905 > 7 12 La 0.50661741400254 0.75000000000000 0.73455052668952 138.905 > 7 13 La 0.24338258599746 0.25000000000000 0.23455052668952 138.905 > 13 14 La 0.74338258599746 0.25000000000000 0.23455052668952 138.905 > 13 15 La 0.24338258599746 0.58333333333333 0.23455052668952 138.905 > 13 16 La 0.74338258599746 0.58333333333333 0.23455052668952 138.905 > 13 17 La 0.24338258599746 0.91666666666667 0.23455052668952 138.905 > 13 18 La 0.74338258599746 0.91666666666667 0.23455052668952 138.905 > 13 19 La 0.25661741400254 0.08333333333333 0.76544947331048 138.905 > 19 20 La 0.75661741400254 0.08333333333333 0.76544947331048 138.905 > 19 21 La 0.25661741400254 0.41666666666667 0.76544947331048 138.905 > 19 22 La 0.75661741400254 0.41666666666667 0.76544947331048 138.905 > 19 23 La 0.25661741400254 0.75000000000000 0.76544947331048 138.905 > 19 24 La 0.75661741400254 0.75000000000000 0.76544947331048 138.905 > 19 25 Ba 0.35918803310071 0.25000000000000 0.50490686228399 137.327 > 25 26 Ba 0.85918803310071 0.25000000000000 0.50490686228399 137.327 > 25 27 Ba 0.35918803310071 0.58333333333333 0.50490686228399 137.327 > 25 28 Ba 0.85918803310071 0.58333333333333 0.50490686228399 137.327 > 25 29 Ba 0.35918803310071 0.91666666666667 0.50490686228399 137.327 > 25 30 Ba 0.85918803310071 0.91666666666667 0.50490686228399 137.327 > 25 31 Ba 0.14081196689929 0.08333333333333 0.49509313771601 137.327 > 31 32 Ba 0.64081196689929 0.08333333333333 0.49509313771601 137.327 > 31 33 Ba 0.14081196689929 0.41666666666667 0.49509313771601 137.327 > 31 34 Ba 0.64081196689929 0.41666666666667 0.49509313771601 137.327 > 31 35 Ba 0.14081196689929 0.75000000000000 0.49509313771601 137.327 > 31 36 Ba 0.64081196689929 0.75000000000000 0.49509313771601 137.327 > 31 37 Ba 0.10918803310071 0.25000000000000 0.99509313771601 137.327 > 37 38 Ba 0.60918803310071 0.25000000000000 0.99509313771601 137.327 > 37 39 Ba 0.10918803310071 0.58333333333333 0.99509313771601 137.327 > 37 40 Ba 0.60918803310071 0.58333333333333 0.99509313771601 137.327 > 37 41 Ba 0.10918803310071 0.91666666666667 0.99509313771601 137.327 > 37 42 Ba 0.60918803310071 0.91666666666667 0.99509313771601 137.327 > 37 43 Ba 0.39081196689929 0.08333333333333 0.00490686228399 137.327 > 43 44 Ba 0.89081196689929 0.08333333333333 0.00490686228399 137.327 > 43 45 Ba 0.39081196689929 0.41666666666667 0.00490686228399 137.327 > 43 46 Ba 0.89081196689929 0.41666666666667 0.00490686228399 137.327 > 43 47 Ba 0.39081196689929 0.75000000000000 0.00490686228399 137.327 > 43 48 Ba 0.89081196689929 0.75000000000000 0.00490686228399 137.327 > 43 49 Cu 0.38110693663607 0.25000000000000 0.78214498246079 63.546 > 49 50 Cu 0.88110693663607 0.25000000000000 0.78214498246079 63.546 > 49 51 Cu 0.38110693663607 0.58333333333333 0.78214498246079 63.546 > 49 52 Cu 0.88110693663607 0.58333333333333 0.78214498246079 63.546 > 49 53 Cu 0.38110693663607 0.91666666666667 0.78214498246079 63.546 > 49 54 Cu 0.88110693663607 0.91666666666667 0.78214498246079 63.546 > 49 55 Cu 0.11889306336393 0.08333333333333 0.21785501753921 63.546 > 55 56 Cu 0.61889306336393 0.08333333333333 0.21785501753921 63.546 > 55 57 Cu 0.11889306336393 0.41666666666667 0.21785501753921 63.546 > 55 58 Cu 0.61889306336393 0.41666666666667 0.21785501753921 63.546 > 55 59 Cu 0.11889306336393 0.75000000000000 0.21785501753921 63.546 > 55 60 Cu 0.61889306336393 0.75000000000000 0.21785501753921 63.546 > 55 61 Cu 0.13110693663607 0.25000000000000 0.71785501753921 63.546 > 61 62 Cu 0.63110693663607 0.25000000000000 0.71785501753921 63.546 > 61 63 Cu 0.13110693663607 0.58333333333333 0.71785501753921 63.546 > 61 64 Cu 0.63110693663607 0.58333333333333 0.71785501753921 63.546 > 61 65 Cu 0.13110693663607 0.91666666666667 0.71785501753921 63.546 > 61 66 Cu 0.63110693663607 0.91666666666667 0.71785501753921 63.546 > 61 67 Cu 0.36889306336393 0.08333333333333 0.28214498246079 63.546 > 67 68 Cu 0.86889306336393 0.08333333333333 0.28214498246079 63.546 > 67 69 Cu 0.36889306336393 0.41666666666667 0.28214498246079 63.546 > 67 70 Cu 0.86889306336393 0.41666666666667 0.28214498246079 63.546 > 67 71 Cu 0.36889306336393 0.75000000000000 0.28214498246079 63.546 > 67 72 Cu 0.86889306336393 0.75000000000000 0.28214498246079 63.546 > 67 73 Se 0.47345840165510 0.25000000000000 0.87902243460864 78.960 > 73 74 Se 0.97345840165510 0.25000000000000 0.87902243460864 78.960 > 73 75 Se 0.47345840165510 0.58333333333333 0.87902243460864 78.960 > 73 76 Se 0.97345840165510 0.58333333333333 0.87902243460864 78.960 > 73 77 Se 0.47345840165510 0.91666666666667 0.87902243460864 78.960 > 73 78 Se 0.97345840165510 0.91666666666667 0.87902243460864 78.960 > 73 79 Se 0.02654159834490 0.08333333333333 0.12097756539136 78.960 > 79 80 Se 0.52654159834490 0.08333333333333 0.12097756539136 78.960 > 79 81 Se 0.02654159834490 0.41666666666667 0.12097756539136 78.960 > 79 82 Se 0.52654159834490 0.41666666666667 0.12097756539136 78.960 > 79 83 Se 0.02654159834490 0.75000000000000 0.12097756539136 78.960 > 79 84 Se 0.52654159834490 0.75000000000000 0.12097756539136 78.960 > 79 85 Se 0.22345840165510 0.25000000000000 0.62097756539136 78.960 > 85 86 Se 0.72345840165510 0.25000000000000 0.62097756539136 78.960 > 85 87 Se 0.22345840165510 0.58333333333333 0.62097756539136 78.960 > 85 88 Se 0.72345840165510 0.58333333333333 0.62097756539136 78.960 > 85 89 Se 0.22345840165510 0.91666666666667 0.62097756539136 78.960 > 85 90 Se 0.72345840165510 0.91666666666667 0.62097756539136 78.960 > 85 91 Se 0.27654159834490 0.08333333333333 0.37902243460864 78.960 > 91 92 Se 0.77654159834490 0.08333333333333 0.37902243460864 78.960 > 91 93 Se 0.27654159834490 0.41666666666667 0.37902243460864 78.960 > 91 94 Se 0.77654159834490 0.41666666666667 0.37902243460864 78.960 > 91 95 Se 0.27654159834490 0.75000000000000 0.37902243460864 78.960 > 91 96 Se 0.77654159834490 0.75000000000000 0.37902243460864 78.960 > 91 97 Se 0.37170222831007 0.25000000000000 0.18199913814477 78.960 > 97 98 Se 0.87170222831007 0.25000000000000 0.18199913814477 78.960 > 97 99 Se 0.37170222831007 0.58333333333333 0.18199913814477 78.960 > 97 100 Se 0.87170222831007 0.58333333333333 0.18199913814477 78.960 > 97 101 Se 0.37170222831007 0.91666666666667 0.18199913814477 78.960 > 97 102 Se 0.87170222831007 0.91666666666667 0.18199913814477 78.960 > 97 103 Se 0.12829777168993 0.08333333333333 0.81800086185523 78.960 > 103 104 Se 0.62829777168993 0.08333333333333 0.81800086185523 78.960 > 103 105 Se 0.12829777168993 0.41666666666667 0.81800086185523 78.960 > 103 106 Se 0.62829777168993 0.41666666666667 0.81800086185523 78.960 > 103 107 Se 0.12829777168993 0.75000000000000 0.81800086185523 78.960 > 103 108 Se 0.62829777168993 0.75000000000000 0.81800086185523 78.960 > 103 109 Se 0.12170222831007 0.25000000000000 0.31800086185523 78.960 > 109 110 Se 0.62170222831007 0.25000000000000 0.31800086185523 78.960 > 109 111 Se 0.12170222831007 0.58333333333333 0.31800086185523 78.960 > 109 112 Se 0.62170222831007 0.58333333333333 0.31800086185523 78.960 > 109 113 Se 0.12170222831007 0.91666666666667 0.31800086185523 78.960 > 109 114 Se 0.62170222831007 0.91666666666667 0.31800086185523 78.960 > 109 115 Se 0.37829777168993 0.08333333333333 0.68199913814477 78.960 > 115 116 Se 0.87829777168993 0.08333333333333 0.68199913814477 78.960 > 115 117 Se 0.37829777168993 0.41666666666667 0.68199913814477 78.960 > 115 118 Se 0.87829777168993 0.41666666666667 0.68199913814477 78.960 > 115 119 Se 0.37829777168993 0.75000000000000 0.68199913814477 78.960 > 115 120 Se 0.87829777168993 0.75000000000000 0.68199913814477 78.960 > 115 121 Se 0.29832235851366 0.25000000000000 0.89905895225213 78.960 > 121 122 Se 0.79832235851366 0.25000000000000 0.89905895225213 78.960 > 121 123 Se 0.29832235851366 0.58333333333333 0.89905895225213 78.960 > 121 124 Se 0.79832235851366 0.58333333333333 0.89905895225213 78.960 > 121 125 Se 0.29832235851366 0.91666666666667 0.89905895225213 78.960 > 121 126 Se 0.79832235851366 0.91666666666667 0.89905895225213 78.960 > 121 127 Se 0.20167764148634 0.08333333333333 0.10094104774787 78.960 > 127 128 Se 0.70167764148634 0.08333333333333 0.10094104774787 78.960 > 127 129 Se 0.20167764148634 0.41666666666667 0.10094104774787 78.960 > 127 130 Se 0.70167764148634 0.41666666666667 0.10094104774787 78.960 > 127 131 Se 0.20167764148634 0.75000000000000 0.10094104774787 78.960 > 127 132 Se 0.70167764148634 0.75000000000000 0.10094104774787 78.960 > 127 133 Se 0.04832235851366 0.25000000000000 0.60094104774787 78.960 > 133 134 Se 0.54832235851366 0.25000000000000 0.60094104774787 78.960 > 133 135 Se 0.04832235851366 0.58333333333333 0.60094104774787 78.960 > 133 136 Se 0.54832235851366 0.58333333333333 0.60094104774787 78.960 > 133 137 Se 0.04832235851366 0.91666666666667 0.60094104774787 78.960 > 133 138 Se 0.54832235851366 0.91666666666667 0.60094104774787 78.960 > 133 139 Se 0.45167764148634 0.08333333333333 0.39905895225213 78.960 > 139 140 Se 0.95167764148634 0.08333333333333 0.39905895225213 78.960 > 139 141 Se 0.45167764148634 0.41666666666667 0.39905895225213 78.960 > 139 142 Se 0.95167764148634 0.41666666666667 0.39905895225213 78.960 > 139 143 Se 0.45167764148634 0.75000000000000 0.39905895225213 78.960 > 139 144 Se 0.95167764148634 0.75000000000000 0.39905895225213 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1406713 0.0000000 0.0000000 0.0000000 8.4361579 0.0000000 0.0000000 0.0000000 7.1718024 -------------------------- Born effective charges -------------------------- 1 La 4.8851525 0.0000000 -0.7307641 0.0000000 4.4221491 0.0000000 -0.3905131 0.0000000 2.4573832 2 La 4.8851525 0.0000000 -0.7307641 0.0000000 4.4221491 0.0000000 -0.3905131 0.0000000 2.4573832 3 La 4.8851525 0.0000000 0.7307641 0.0000000 4.4221491 0.0000000 0.3905131 0.0000000 2.4573832 4 La 4.8851525 0.0000000 0.7307641 0.0000000 4.4221491 0.0000000 0.3905131 0.0000000 2.4573832 5 Ba 2.4608647 0.0000000 -0.0288914 0.0000000 2.7636577 0.0000000 -0.1740951 0.0000000 3.5625896 6 Ba 2.4608647 0.0000000 -0.0288914 0.0000000 2.7636577 0.0000000 -0.1740951 0.0000000 3.5625896 7 Ba 2.4608647 0.0000000 0.0288914 0.0000000 2.7636577 0.0000000 0.1740951 0.0000000 3.5625896 8 Ba 2.4608647 0.0000000 0.0288914 0.0000000 2.7636577 0.0000000 0.1740951 0.0000000 3.5625896 9 Cu 0.3216830 0.0000000 0.0476049 0.0000000 0.7005252 0.0000000 0.0237931 0.0000000 0.3661057 10 Cu 0.3216830 0.0000000 0.0476049 0.0000000 0.7005252 0.0000000 0.0237931 0.0000000 0.3661057 11 Cu 0.3216830 0.0000000 -0.0476049 0.0000000 0.7005252 0.0000000 -0.0237931 0.0000000 0.3661057 12 Cu 0.3216830 0.0000000 -0.0476049 0.0000000 0.7005252 0.0000000 -0.0237931 0.0000000 0.3661057 13 Se -2.3024638 0.0000000 0.3825828 0.0000000 -2.7984668 0.0000000 0.1181880 0.0000000 -2.3455474 14 Se -2.3024638 0.0000000 0.3825828 0.0000000 -2.7984668 0.0000000 0.1181880 0.0000000 -2.3455474 15 Se -2.3024638 0.0000000 -0.3825828 0.0000000 -2.7984668 0.0000000 -0.1181880 0.0000000 -2.3455474 16 Se -2.3024638 0.0000000 -0.3825828 0.0000000 -2.7984668 0.0000000 -0.1181880 0.0000000 -2.3455474 17 Se -3.2343812 0.0000000 0.0006128 0.0000000 -2.2170553 0.0000000 0.0440330 0.0000000 -1.8936092 18 Se -3.2343812 0.0000000 0.0006128 0.0000000 -2.2170553 0.0000000 0.0440330 0.0000000 -1.8936092 19 Se -3.2343812 0.0000000 -0.0006128 0.0000000 -2.2170553 0.0000000 -0.0440330 0.0000000 -1.8936092 20 Se -3.2343812 0.0000000 -0.0006128 0.0000000 -2.2170553 0.0000000 -0.0440330 0.0000000 -1.8936092 21 Se -2.1308551 0.0000000 -0.6388640 0.0000000 -2.8708099 0.0000000 -0.4497673 0.0000000 -2.1469219 22 Se -2.1308551 0.0000000 -0.6388640 0.0000000 -2.8708099 0.0000000 -0.4497673 0.0000000 -2.1469219 23 Se -2.1308551 0.0000000 0.6388640 0.0000000 -2.8708099 0.0000000 0.4497673 0.0000000 -2.1469219 24 Se -2.1308551 0.0000000 0.6388640 0.0000000 -2.8708099 0.0000000 0.4497673 0.0000000 -2.1469219 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:15:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:15:11]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.120448859999998 0.000000000000000 0.000000000000000 b 0.000000000000000 4.240775050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.703166260000000 Atomic positions (fractional): 1 La 0.98676517199493 0.75000000000000 0.26544947331048 138.905 2 La 0.01323482800507 0.25000000000000 0.73455052668952 138.905 3 La 0.48676517199493 0.75000000000000 0.23455052668952 138.905 4 La 0.51323482800507 0.25000000000000 0.76544947331048 138.905 5 Ba 0.71837606620142 0.75000000000000 0.50490686228399 137.327 6 Ba 0.28162393379858 0.25000000000000 0.49509313771601 137.327 7 Ba 0.21837606620142 0.75000000000000 0.99509313771601 137.327 8 Ba 0.78162393379858 0.25000000000000 0.00490686228399 137.327 9 Cu 0.76221387327213 0.75000000000000 0.78214498246079 63.546 10 Cu 0.23778612672787 0.25000000000000 0.21785501753921 63.546 11 Cu 0.26221387327214 0.75000000000000 0.71785501753921 63.546 12 Cu 0.73778612672787 0.25000000000000 0.28214498246079 63.546 13 Se 0.94691680331020 0.75000000000000 0.87902243460864 78.960 14 Se 0.05308319668980 0.25000000000000 0.12097756539136 78.960 15 Se 0.44691680331020 0.75000000000000 0.62097756539136 78.960 16 Se 0.55308319668980 0.25000000000000 0.37902243460864 78.960 17 Se 0.74340445662014 0.75000000000000 0.18199913814477 78.960 18 Se 0.25659554337986 0.25000000000000 0.81800086185523 78.960 19 Se 0.24340445662014 0.75000000000000 0.31800086185523 78.960 20 Se 0.75659554337986 0.25000000000000 0.68199913814477 78.960 21 Se 0.59664471702733 0.75000000000000 0.89905895225213 78.960 22 Se 0.40335528297267 0.25000000000000 0.10094104774787 78.960 23 Se 0.09664471702733 0.75000000000000 0.60094104774787 78.960 24 Se 0.90335528297267 0.25000000000000 0.39905895225213 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.240897719999996 0.000000000000000 0.000000000000000 b 0.000000000000000 12.722325150000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.703166260000000 Atomic positions (fractional): 1 La 0.49338258599746 0.25000000000000 0.26544947331048 138.905 > 1 2 La 0.99338258599746 0.25000000000000 0.26544947331048 138.905 > 1 3 La 0.49338258599746 0.58333333333333 0.26544947331048 138.905 > 1 4 La 0.99338258599746 0.58333333333333 0.26544947331048 138.905 > 1 5 La 0.49338258599746 0.91666666666667 0.26544947331048 138.905 > 1 6 La 0.99338258599746 0.91666666666667 0.26544947331048 138.905 > 1 7 La 0.00661741400254 0.08333333333333 0.73455052668952 138.905 > 7 8 La 0.50661741400254 0.08333333333333 0.73455052668952 138.905 > 7 9 La 0.00661741400254 0.41666666666667 0.73455052668952 138.905 > 7 10 La 0.50661741400254 0.41666666666667 0.73455052668952 138.905 > 7 11 La 0.00661741400254 0.75000000000000 0.73455052668952 138.905 > 7 12 La 0.50661741400254 0.75000000000000 0.73455052668952 138.905 > 7 13 La 0.24338258599746 0.25000000000000 0.23455052668952 138.905 > 13 14 La 0.74338258599746 0.25000000000000 0.23455052668952 138.905 > 13 15 La 0.24338258599746 0.58333333333333 0.23455052668952 138.905 > 13 16 La 0.74338258599746 0.58333333333333 0.23455052668952 138.905 > 13 17 La 0.24338258599746 0.91666666666667 0.23455052668952 138.905 > 13 18 La 0.74338258599746 0.91666666666667 0.23455052668952 138.905 > 13 19 La 0.25661741400254 0.08333333333333 0.76544947331048 138.905 > 19 20 La 0.75661741400254 0.08333333333333 0.76544947331048 138.905 > 19 21 La 0.25661741400254 0.41666666666667 0.76544947331048 138.905 > 19 22 La 0.75661741400254 0.41666666666667 0.76544947331048 138.905 > 19 23 La 0.25661741400254 0.75000000000000 0.76544947331048 138.905 > 19 24 La 0.75661741400254 0.75000000000000 0.76544947331048 138.905 > 19 25 Ba 0.35918803310071 0.25000000000000 0.50490686228399 137.327 > 25 26 Ba 0.85918803310071 0.25000000000000 0.50490686228399 137.327 > 25 27 Ba 0.35918803310071 0.58333333333333 0.50490686228399 137.327 > 25 28 Ba 0.85918803310071 0.58333333333333 0.50490686228399 137.327 > 25 29 Ba 0.35918803310071 0.91666666666667 0.50490686228399 137.327 > 25 30 Ba 0.85918803310071 0.91666666666667 0.50490686228399 137.327 > 25 31 Ba 0.14081196689929 0.08333333333333 0.49509313771601 137.327 > 31 32 Ba 0.64081196689929 0.08333333333333 0.49509313771601 137.327 > 31 33 Ba 0.14081196689929 0.41666666666667 0.49509313771601 137.327 > 31 34 Ba 0.64081196689929 0.41666666666667 0.49509313771601 137.327 > 31 35 Ba 0.14081196689929 0.75000000000000 0.49509313771601 137.327 > 31 36 Ba 0.64081196689929 0.75000000000000 0.49509313771601 137.327 > 31 37 Ba 0.10918803310071 0.25000000000000 0.99509313771601 137.327 > 37 38 Ba 0.60918803310071 0.25000000000000 0.99509313771601 137.327 > 37 39 Ba 0.10918803310071 0.58333333333333 0.99509313771601 137.327 > 37 40 Ba 0.60918803310071 0.58333333333333 0.99509313771601 137.327 > 37 41 Ba 0.10918803310071 0.91666666666667 0.99509313771601 137.327 > 37 42 Ba 0.60918803310071 0.91666666666667 0.99509313771601 137.327 > 37 43 Ba 0.39081196689929 0.08333333333333 0.00490686228399 137.327 > 43 44 Ba 0.89081196689929 0.08333333333333 0.00490686228399 137.327 > 43 45 Ba 0.39081196689929 0.41666666666667 0.00490686228399 137.327 > 43 46 Ba 0.89081196689929 0.41666666666667 0.00490686228399 137.327 > 43 47 Ba 0.39081196689929 0.75000000000000 0.00490686228399 137.327 > 43 48 Ba 0.89081196689929 0.75000000000000 0.00490686228399 137.327 > 43 49 Cu 0.38110693663607 0.25000000000000 0.78214498246079 63.546 > 49 50 Cu 0.88110693663607 0.25000000000000 0.78214498246079 63.546 > 49 51 Cu 0.38110693663607 0.58333333333333 0.78214498246079 63.546 > 49 52 Cu 0.88110693663607 0.58333333333333 0.78214498246079 63.546 > 49 53 Cu 0.38110693663607 0.91666666666667 0.78214498246079 63.546 > 49 54 Cu 0.88110693663607 0.91666666666667 0.78214498246079 63.546 > 49 55 Cu 0.11889306336393 0.08333333333333 0.21785501753921 63.546 > 55 56 Cu 0.61889306336393 0.08333333333333 0.21785501753921 63.546 > 55 57 Cu 0.11889306336393 0.41666666666667 0.21785501753921 63.546 > 55 58 Cu 0.61889306336393 0.41666666666667 0.21785501753921 63.546 > 55 59 Cu 0.11889306336393 0.75000000000000 0.21785501753921 63.546 > 55 60 Cu 0.61889306336393 0.75000000000000 0.21785501753921 63.546 > 55 61 Cu 0.13110693663607 0.25000000000000 0.71785501753921 63.546 > 61 62 Cu 0.63110693663607 0.25000000000000 0.71785501753921 63.546 > 61 63 Cu 0.13110693663607 0.58333333333333 0.71785501753921 63.546 > 61 64 Cu 0.63110693663607 0.58333333333333 0.71785501753921 63.546 > 61 65 Cu 0.13110693663607 0.91666666666667 0.71785501753921 63.546 > 61 66 Cu 0.63110693663607 0.91666666666667 0.71785501753921 63.546 > 61 67 Cu 0.36889306336393 0.08333333333333 0.28214498246079 63.546 > 67 68 Cu 0.86889306336393 0.08333333333333 0.28214498246079 63.546 > 67 69 Cu 0.36889306336393 0.41666666666667 0.28214498246079 63.546 > 67 70 Cu 0.86889306336393 0.41666666666667 0.28214498246079 63.546 > 67 71 Cu 0.36889306336393 0.75000000000000 0.28214498246079 63.546 > 67 72 Cu 0.86889306336393 0.75000000000000 0.28214498246079 63.546 > 67 73 Se 0.47345840165510 0.25000000000000 0.87902243460864 78.960 > 73 74 Se 0.97345840165510 0.25000000000000 0.87902243460864 78.960 > 73 75 Se 0.47345840165510 0.58333333333333 0.87902243460864 78.960 > 73 76 Se 0.97345840165510 0.58333333333333 0.87902243460864 78.960 > 73 77 Se 0.47345840165510 0.91666666666667 0.87902243460864 78.960 > 73 78 Se 0.97345840165510 0.91666666666667 0.87902243460864 78.960 > 73 79 Se 0.02654159834490 0.08333333333333 0.12097756539136 78.960 > 79 80 Se 0.52654159834490 0.08333333333333 0.12097756539136 78.960 > 79 81 Se 0.02654159834490 0.41666666666667 0.12097756539136 78.960 > 79 82 Se 0.52654159834490 0.41666666666667 0.12097756539136 78.960 > 79 83 Se 0.02654159834490 0.75000000000000 0.12097756539136 78.960 > 79 84 Se 0.52654159834490 0.75000000000000 0.12097756539136 78.960 > 79 85 Se 0.22345840165510 0.25000000000000 0.62097756539136 78.960 > 85 86 Se 0.72345840165510 0.25000000000000 0.62097756539136 78.960 > 85 87 Se 0.22345840165510 0.58333333333333 0.62097756539136 78.960 > 85 88 Se 0.72345840165510 0.58333333333333 0.62097756539136 78.960 > 85 89 Se 0.22345840165510 0.91666666666667 0.62097756539136 78.960 > 85 90 Se 0.72345840165510 0.91666666666667 0.62097756539136 78.960 > 85 91 Se 0.27654159834490 0.08333333333333 0.37902243460864 78.960 > 91 92 Se 0.77654159834490 0.08333333333333 0.37902243460864 78.960 > 91 93 Se 0.27654159834490 0.41666666666667 0.37902243460864 78.960 > 91 94 Se 0.77654159834490 0.41666666666667 0.37902243460864 78.960 > 91 95 Se 0.27654159834490 0.75000000000000 0.37902243460864 78.960 > 91 96 Se 0.77654159834490 0.75000000000000 0.37902243460864 78.960 > 91 97 Se 0.37170222831007 0.25000000000000 0.18199913814477 78.960 > 97 98 Se 0.87170222831007 0.25000000000000 0.18199913814477 78.960 > 97 99 Se 0.37170222831007 0.58333333333333 0.18199913814477 78.960 > 97 100 Se 0.87170222831007 0.58333333333333 0.18199913814477 78.960 > 97 101 Se 0.37170222831007 0.91666666666667 0.18199913814477 78.960 > 97 102 Se 0.87170222831007 0.91666666666667 0.18199913814477 78.960 > 97 103 Se 0.12829777168993 0.08333333333333 0.81800086185523 78.960 > 103 104 Se 0.62829777168993 0.08333333333333 0.81800086185523 78.960 > 103 105 Se 0.12829777168993 0.41666666666667 0.81800086185523 78.960 > 103 106 Se 0.62829777168993 0.41666666666667 0.81800086185523 78.960 > 103 107 Se 0.12829777168993 0.75000000000000 0.81800086185523 78.960 > 103 108 Se 0.62829777168993 0.75000000000000 0.81800086185523 78.960 > 103 109 Se 0.12170222831007 0.25000000000000 0.31800086185523 78.960 > 109 110 Se 0.62170222831007 0.25000000000000 0.31800086185523 78.960 > 109 111 Se 0.12170222831007 0.58333333333333 0.31800086185523 78.960 > 109 112 Se 0.62170222831007 0.58333333333333 0.31800086185523 78.960 > 109 113 Se 0.12170222831007 0.91666666666667 0.31800086185523 78.960 > 109 114 Se 0.62170222831007 0.91666666666667 0.31800086185523 78.960 > 109 115 Se 0.37829777168993 0.08333333333333 0.68199913814477 78.960 > 115 116 Se 0.87829777168993 0.08333333333333 0.68199913814477 78.960 > 115 117 Se 0.37829777168993 0.41666666666667 0.68199913814477 78.960 > 115 118 Se 0.87829777168993 0.41666666666667 0.68199913814477 78.960 > 115 119 Se 0.37829777168993 0.75000000000000 0.68199913814477 78.960 > 115 120 Se 0.87829777168993 0.75000000000000 0.68199913814477 78.960 > 115 121 Se 0.29832235851366 0.25000000000000 0.89905895225213 78.960 > 121 122 Se 0.79832235851366 0.25000000000000 0.89905895225213 78.960 > 121 123 Se 0.29832235851366 0.58333333333333 0.89905895225213 78.960 > 121 124 Se 0.79832235851366 0.58333333333333 0.89905895225213 78.960 > 121 125 Se 0.29832235851366 0.91666666666667 0.89905895225213 78.960 > 121 126 Se 0.79832235851366 0.91666666666667 0.89905895225213 78.960 > 121 127 Se 0.20167764148634 0.08333333333333 0.10094104774787 78.960 > 127 128 Se 0.70167764148634 0.08333333333333 0.10094104774787 78.960 > 127 129 Se 0.20167764148634 0.41666666666667 0.10094104774787 78.960 > 127 130 Se 0.70167764148634 0.41666666666667 0.10094104774787 78.960 > 127 131 Se 0.20167764148634 0.75000000000000 0.10094104774787 78.960 > 127 132 Se 0.70167764148634 0.75000000000000 0.10094104774787 78.960 > 127 133 Se 0.04832235851366 0.25000000000000 0.60094104774787 78.960 > 133 134 Se 0.54832235851366 0.25000000000000 0.60094104774787 78.960 > 133 135 Se 0.04832235851366 0.58333333333333 0.60094104774787 78.960 > 133 136 Se 0.54832235851366 0.58333333333333 0.60094104774787 78.960 > 133 137 Se 0.04832235851366 0.91666666666667 0.60094104774787 78.960 > 133 138 Se 0.54832235851366 0.91666666666667 0.60094104774787 78.960 > 133 139 Se 0.45167764148634 0.08333333333333 0.39905895225213 78.960 > 139 140 Se 0.95167764148634 0.08333333333333 0.39905895225213 78.960 > 139 141 Se 0.45167764148634 0.41666666666667 0.39905895225213 78.960 > 139 142 Se 0.95167764148634 0.41666666666667 0.39905895225213 78.960 > 139 143 Se 0.45167764148634 0.75000000000000 0.39905895225213 78.960 > 139 144 Se 0.95167764148634 0.75000000000000 0.39905895225213 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.1406713 0.0000000 0.0000000 0.0000000 8.4361579 0.0000000 0.0000000 0.0000000 7.1718024 -------------------------- Born effective charges -------------------------- 1 La 4.8851525 0.0000000 -0.7307641 0.0000000 4.4221491 0.0000000 -0.3905131 0.0000000 2.4573832 2 La 4.8851525 0.0000000 -0.7307641 0.0000000 4.4221491 0.0000000 -0.3905131 0.0000000 2.4573832 3 La 4.8851525 0.0000000 0.7307641 0.0000000 4.4221491 0.0000000 0.3905131 0.0000000 2.4573832 4 La 4.8851525 0.0000000 0.7307641 0.0000000 4.4221491 0.0000000 0.3905131 0.0000000 2.4573832 5 Ba 2.4608647 0.0000000 -0.0288914 0.0000000 2.7636577 0.0000000 -0.1740951 0.0000000 3.5625896 6 Ba 2.4608647 0.0000000 -0.0288914 0.0000000 2.7636577 0.0000000 -0.1740951 0.0000000 3.5625896 7 Ba 2.4608647 0.0000000 0.0288914 0.0000000 2.7636577 0.0000000 0.1740951 0.0000000 3.5625896 8 Ba 2.4608647 0.0000000 0.0288914 0.0000000 2.7636577 0.0000000 0.1740951 0.0000000 3.5625896 9 Cu 0.3216830 0.0000000 0.0476049 0.0000000 0.7005252 0.0000000 0.0237931 0.0000000 0.3661057 10 Cu 0.3216830 0.0000000 0.0476049 0.0000000 0.7005252 0.0000000 0.0237931 0.0000000 0.3661057 11 Cu 0.3216830 0.0000000 -0.0476049 0.0000000 0.7005252 0.0000000 -0.0237931 0.0000000 0.3661057 12 Cu 0.3216830 0.0000000 -0.0476049 0.0000000 0.7005252 0.0000000 -0.0237931 0.0000000 0.3661057 13 Se -2.3024638 0.0000000 0.3825828 0.0000000 -2.7984668 0.0000000 0.1181880 0.0000000 -2.3455474 14 Se -2.3024638 0.0000000 0.3825828 0.0000000 -2.7984668 0.0000000 0.1181880 0.0000000 -2.3455474 15 Se -2.3024638 0.0000000 -0.3825828 0.0000000 -2.7984668 0.0000000 -0.1181880 0.0000000 -2.3455474 16 Se -2.3024638 0.0000000 -0.3825828 0.0000000 -2.7984668 0.0000000 -0.1181880 0.0000000 -2.3455474 17 Se -3.2343812 0.0000000 0.0006128 0.0000000 -2.2170553 0.0000000 0.0440330 0.0000000 -1.8936092 18 Se -3.2343812 0.0000000 0.0006128 0.0000000 -2.2170553 0.0000000 0.0440330 0.0000000 -1.8936092 19 Se -3.2343812 0.0000000 -0.0006128 0.0000000 -2.2170553 0.0000000 -0.0440330 0.0000000 -1.8936092 20 Se -3.2343812 0.0000000 -0.0006128 0.0000000 -2.2170553 0.0000000 -0.0440330 0.0000000 -1.8936092 21 Se -2.1308551 0.0000000 -0.6388640 0.0000000 -2.8708099 0.0000000 -0.4497673 0.0000000 -2.1469219 22 Se -2.1308551 0.0000000 -0.6388640 0.0000000 -2.8708099 0.0000000 -0.4497673 0.0000000 -2.1469219 23 Se -2.1308551 0.0000000 0.6388640 0.0000000 -2.8708099 0.0000000 0.4497673 0.0000000 -2.1469219 24 Se -2.1308551 0.0000000 0.6388640 0.0000000 -2.8708099 0.0000000 0.4497673 0.0000000 -2.1469219 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 12 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: 0.48, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.824 ( 0.000 0.000 0.000) 0.000 0.984 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 17.834 0.000 0.000) 17.834 0.482 ( 20.981 0.000 0.000) 20.981 0.716 ( 16.421 0.000 0.000) 16.421 0.985 ( 17.678 0.000 0.000) 17.678 1.205 ( -0.866 0.000 0.000) 0.866 1.318 ( -15.090 0.000 0.000) 15.090 1.350 ( 14.179 0.000 0.000) 14.179 1.419 ( 4.089 0.000 0.000) 4.089 1.420 ( -16.060 0.000 0.000) 16.060 1.648 ( -1.132 0.000 0.000) 1.132 1.664 ( -4.387 0.000 0.000) 4.387 1.814 ( 0.945 0.000 0.000) 0.945 1.858 ( 0.437 0.000 0.000) 0.437 1.861 ( -5.190 0.000 0.000) 5.190 1.934 ( 2.553 0.000 0.000) 2.553 1.970 ( 4.292 0.000 0.000) 4.292 2.070 ( 0.614 0.000 0.000) 0.614 2.097 ( 11.686 0.000 0.000) 11.686 2.098 ( -0.935 0.000 0.000) 0.935 2.267 ( 4.190 0.000 0.000) 4.190 2.316 ( 1.920 0.000 0.000) 1.920 2.458 ( -2.806 0.000 0.000) 2.806 2.462 ( 2.172 0.000 0.000) 2.172 2.526 ( 0.469 0.000 0.000) 0.469 2.554 ( -2.659 0.000 0.000) 2.659 2.596 ( -2.395 0.000 0.000) 2.395 2.682 ( 4.125 0.000 0.000) 4.125 2.711 ( 3.041 0.000 0.000) 3.041 2.795 ( -0.310 0.000 0.000) 0.310 2.816 ( 7.488 0.000 0.000) 7.488 2.893 ( -2.306 0.000 0.000) 2.306 2.976 ( -0.754 0.000 0.000) 0.754 3.107 ( -4.618 0.000 0.000) 4.618 3.282 ( 5.984 0.000 0.000) 5.984 3.477 ( -16.048 0.000 0.000) 16.048 3.834 ( 0.133 0.000 0.000) 0.133 3.839 ( -0.027 0.000 0.000) 0.027 3.874 ( 0.901 0.000 0.000) 0.901 3.886 ( -14.598 0.000 0.000) 14.598 3.923 ( -0.873 0.000 0.000) 0.873 4.122 ( 0.571 0.000 0.000) 0.571 4.147 ( 0.626 0.000 0.000) 0.626 4.160 ( -0.768 0.000 0.000) 0.768 4.184 ( -0.662 0.000 0.000) 0.662 4.285 ( 0.375 0.000 0.000) 0.375 4.304 ( -0.299 0.000 0.000) 0.299 4.328 ( 2.610 0.000 0.000) 2.610 4.346 ( 2.390 0.000 0.000) 2.390 4.371 ( 0.063 0.000 0.000) 0.063 4.377 ( -0.127 0.000 0.000) 0.127 4.436 ( -1.663 0.000 0.000) 1.663 4.490 ( -3.202 0.000 0.000) 3.202 4.609 ( -1.226 0.000 0.000) 1.226 4.625 ( -1.363 0.000 0.000) 1.363 4.632 ( -1.642 0.000 0.000) 1.642 4.745 ( 4.439 0.000 0.000) 4.439 4.803 ( -4.881 0.000 0.000) 4.881 4.879 ( 3.091 0.000 0.000) 3.091 4.993 ( -3.631 0.000 0.000) 3.631 5.009 ( -4.296 0.000 0.000) 4.296 5.089 ( -2.387 0.000 0.000) 2.387 5.197 ( 0.062 0.000 0.000) 0.062 5.197 ( -3.852 0.000 0.000) 3.852 5.289 ( -4.174 0.000 0.000) 4.174 5.330 ( -0.491 0.000 0.000) 0.491 5.333 ( -1.541 0.000 0.000) 1.541 5.561 ( 8.113 0.000 0.000) 8.113 5.659 ( 9.859 0.000 0.000) 9.859 5.672 ( 6.234 0.000 0.000) 6.234 5.766 ( -1.861 0.000 0.000) 1.861 5.864 ( 13.686 0.000 0.000) 13.686 6.303 ( -4.922 0.000 0.000) 4.922 ======================= Grid point 2 (3/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -12.623 0.000 0.000) 12.623 0.775 ( 12.623 0.000 0.000) 12.623 0.933 ( -18.858 0.000 0.000) 18.858 0.933 ( 18.858 0.000 0.000) 18.858 1.085 ( -10.814 0.000 0.000) 10.814 1.085 ( 10.814 0.000 0.000) 10.814 1.538 ( -6.035 0.000 0.000) 6.035 1.538 ( 6.035 0.000 0.000) 6.035 1.541 ( -14.808 0.000 0.000) 14.808 1.541 ( 14.808 0.000 0.000) 14.808 1.652 ( -8.826 0.000 0.000) 8.826 1.652 ( 8.826 0.000 0.000) 8.826 1.842 ( -1.306 0.000 0.000) 1.306 1.842 ( 1.306 0.000 0.000) 1.306 2.023 ( -5.316 0.000 0.000) 5.316 2.023 ( 5.316 0.000 0.000) 5.316 2.058 ( -2.842 0.000 0.000) 2.842 2.058 ( 2.842 0.000 0.000) 2.842 2.308 ( -2.586 0.000 0.000) 2.586 2.308 ( 2.586 0.000 0.000) 2.586 2.372 ( -4.608 0.000 0.000) 4.608 2.372 ( 4.608 0.000 0.000) 4.608 2.527 ( -3.362 0.000 0.000) 3.362 2.527 ( 3.362 0.000 0.000) 3.362 2.535 ( -2.085 0.000 0.000) 2.085 2.535 ( 2.085 0.000 0.000) 2.085 2.753 ( -1.374 0.000 0.000) 1.374 2.753 ( 1.374 0.000 0.000) 1.374 2.831 ( -4.642 0.000 0.000) 4.642 2.831 ( 4.642 0.000 0.000) 4.642 2.989 ( -3.812 0.000 0.000) 3.812 2.989 ( 3.812 0.000 0.000) 3.812 3.077 ( -15.708 0.000 0.000) 15.708 3.077 ( 15.708 0.000 0.000) 15.708 3.516 ( -15.172 0.000 0.000) 15.172 3.516 ( 15.172 0.000 0.000) 15.172 3.837 ( -0.125 0.000 0.000) 0.125 3.837 ( 0.125 0.000 0.000) 0.125 3.898 ( -1.206 0.000 0.000) 1.206 3.898 ( 1.206 0.000 0.000) 1.206 4.140 ( -0.910 0.000 0.000) 0.910 4.140 ( 0.910 0.000 0.000) 0.910 4.165 ( -0.910 0.000 0.000) 0.910 4.165 ( 0.910 0.000 0.000) 0.910 4.295 ( -0.471 0.000 0.000) 0.471 4.295 ( 0.471 0.000 0.000) 0.471 4.374 ( -0.144 0.000 0.000) 0.144 4.374 ( 0.144 0.000 0.000) 0.144 4.386 ( -2.494 0.000 0.000) 2.494 4.386 ( 2.494 0.000 0.000) 2.494 4.417 ( -3.366 0.000 0.000) 3.366 4.417 ( 3.366 0.000 0.000) 3.366 4.603 ( -0.048 0.000 0.000) 0.048 4.603 ( 0.048 0.000 0.000) 0.048 4.655 ( -4.805 0.000 0.000) 4.805 4.655 ( 4.805 0.000 0.000) 4.805 4.890 ( -5.944 0.000 0.000) 5.944 4.890 ( 5.944 0.000 0.000) 5.944 4.937 ( -2.132 0.000 0.000) 2.132 4.937 ( 2.132 0.000 0.000) 2.132 5.114 ( -3.051 0.000 0.000) 3.051 5.114 ( 3.051 0.000 0.000) 3.051 5.219 ( -2.035 0.000 0.000) 2.035 5.219 ( 2.035 0.000 0.000) 2.035 5.324 ( -0.011 0.000 0.000) 0.011 5.324 ( 0.011 0.000 0.000) 0.011 5.679 ( -3.913 0.000 0.000) 3.913 5.679 ( 3.913 0.000 0.000) 3.913 5.786 ( -0.870 0.000 0.000) 0.870 5.786 ( 0.870 0.000 0.000) 0.870 6.136 ( -9.883 0.000 0.000) 9.883 6.136 ( 9.883 0.000 0.000) 9.883 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 0.000 20.348 0.000) 20.348 0.489 ( 0.000 24.849 0.000) 24.849 0.739 ( 0.000 36.324 0.000) 36.324 0.954 ( 0.000 12.057 0.000) 12.057 1.035 ( 0.000 5.514 0.000) 5.514 1.323 ( 0.000 -0.132 0.000) 0.132 1.528 ( 0.000 8.574 0.000) 8.574 1.534 ( 0.000 -2.368 0.000) 2.368 1.559 ( 0.000 -6.348 0.000) 6.348 1.579 ( 0.000 -8.510 0.000) 8.510 1.661 ( 0.000 -4.407 0.000) 4.407 1.690 ( 0.000 1.735 0.000) 1.735 1.857 ( 0.000 2.413 0.000) 2.413 1.863 ( 0.000 5.128 0.000) 5.128 2.042 ( 0.000 12.991 0.000) 12.991 2.064 ( 0.000 8.216 0.000) 8.216 2.074 ( 0.000 5.392 0.000) 5.392 2.173 ( 0.000 4.814 0.000) 4.814 2.198 ( 0.000 13.499 0.000) 13.499 2.283 ( 0.000 4.275 0.000) 4.275 2.413 ( 0.000 -1.967 0.000) 1.967 2.413 ( 0.000 14.843 0.000) 14.843 2.503 ( 0.000 1.010 0.000) 1.010 2.553 ( 0.000 -0.899 0.000) 0.899 2.587 ( 0.000 0.667 0.000) 0.667 2.587 ( 0.000 -1.978 0.000) 1.978 2.589 ( 0.000 2.518 0.000) 2.518 2.673 ( 0.000 3.058 0.000) 3.058 2.737 ( 0.000 4.070 0.000) 4.070 2.763 ( 0.000 -3.065 0.000) 3.065 2.911 ( 0.000 2.486 0.000) 2.486 2.919 ( 0.000 -0.303 0.000) 0.303 3.133 ( 0.000 -2.745 0.000) 2.745 3.151 ( 0.000 -6.130 0.000) 6.130 3.644 ( 0.000 -1.630 0.000) 1.630 3.889 ( 0.000 4.587 0.000) 4.587 3.903 ( 0.000 3.520 0.000) 3.520 3.921 ( 0.000 3.318 0.000) 3.318 4.003 ( 0.000 5.884 0.000) 5.884 4.030 ( 0.000 -2.932 0.000) 2.932 4.165 ( 0.000 4.189 0.000) 4.189 4.192 ( 0.000 4.953 0.000) 4.953 4.229 ( 0.000 5.496 0.000) 5.496 4.244 ( 0.000 2.298 0.000) 2.298 4.255 ( 0.000 -2.244 0.000) 2.244 4.307 ( 0.000 -0.869 0.000) 0.869 4.346 ( 0.000 4.983 0.000) 4.983 4.365 ( 0.000 -1.697 0.000) 1.697 4.401 ( 0.000 2.683 0.000) 2.683 4.445 ( 0.000 -0.631 0.000) 0.631 4.484 ( 0.000 2.294 0.000) 2.294 4.536 ( 0.000 -1.627 0.000) 1.627 4.623 ( 0.000 -0.843 0.000) 0.843 4.672 ( 0.000 0.412 0.000) 0.412 4.674 ( 0.000 1.445 0.000) 1.445 4.719 ( 0.000 -1.455 0.000) 1.455 4.856 ( 0.000 -0.415 0.000) 0.415 5.040 ( 0.000 -0.673 0.000) 0.673 5.056 ( 0.000 -4.432 0.000) 4.432 5.160 ( 0.000 -2.722 0.000) 2.722 5.165 ( 0.000 -1.120 0.000) 1.120 5.219 ( 0.000 -2.135 0.000) 2.135 5.282 ( 0.000 -2.253 0.000) 2.253 5.310 ( 0.000 -0.885 0.000) 0.885 5.332 ( 0.000 0.585 0.000) 0.585 5.414 ( 0.000 -1.113 0.000) 1.113 5.451 ( 0.000 -1.154 0.000) 1.154 5.483 ( 0.000 -1.495 0.000) 1.495 5.496 ( 0.000 -5.912 0.000) 5.912 5.579 ( 0.000 -2.564 0.000) 2.564 5.729 ( 0.000 -6.976 0.000) 6.976 5.750 ( 0.000 -0.407 0.000) 0.407 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 10.658 13.336 0.000) 17.071 0.627 ( 10.484 18.329 0.000) 21.115 0.964 ( 4.688 14.633 0.000) 15.366 1.106 ( 17.136 14.397 0.000) 22.381 1.257 ( -14.795 -3.828 0.000) 15.282 1.261 ( 1.775 6.339 0.000) 6.582 1.332 ( 13.566 2.846 0.000) 13.861 1.404 ( -10.836 -1.368 0.000) 10.922 1.548 ( 6.933 7.629 0.000) 10.309 1.574 ( -2.370 -0.584 0.000) 2.441 1.736 ( 1.373 -3.783 0.000) 4.025 1.790 ( 3.747 1.884 0.000) 4.194 1.887 ( 2.958 4.998 0.000) 5.807 1.955 ( 2.628 4.896 0.000) 5.556 2.024 ( -0.807 14.688 0.000) 14.710 2.068 ( -2.388 3.372 0.000) 4.132 2.109 ( 4.733 4.429 0.000) 6.482 2.175 ( -0.412 11.614 0.000) 11.621 2.181 ( 2.880 5.188 0.000) 5.934 2.255 ( -0.822 2.888 0.000) 3.003 2.411 ( -0.921 -0.698 0.000) 1.156 2.456 ( -4.449 0.394 0.000) 4.466 2.483 ( 1.548 7.196 0.000) 7.360 2.538 ( -1.354 -1.422 0.000) 1.963 2.564 ( 3.030 4.638 0.000) 5.540 2.601 ( 2.576 0.377 0.000) 2.604 2.723 ( 1.364 1.262 0.000) 1.858 2.734 ( 2.412 2.153 0.000) 3.233 2.745 ( 5.798 -3.392 0.000) 6.717 2.829 ( 5.110 2.119 0.000) 5.532 2.890 ( -2.027 0.074 0.000) 2.028 2.899 ( 0.111 -2.029 0.000) 2.032 3.078 ( -4.821 -2.875 0.000) 5.614 3.226 ( 6.559 -5.142 0.000) 8.334 3.466 ( -15.160 -0.345 0.000) 15.164 3.852 ( -14.772 -2.995 0.000) 15.072 3.888 ( -0.283 4.198 0.000) 4.208 3.890 ( -0.533 3.912 0.000) 3.948 3.930 ( 0.581 4.410 0.000) 4.448 3.979 ( -1.571 4.959 0.000) 5.202 4.173 ( 0.718 4.129 0.000) 4.191 4.200 ( 0.593 5.036 0.000) 5.071 4.217 ( -0.940 5.086 0.000) 5.173 4.236 ( -0.727 2.890 0.000) 2.980 4.286 ( 2.284 -2.206 0.000) 3.175 4.300 ( -0.208 -0.415 0.000) 0.464 4.327 ( -2.086 -1.171 0.000) 2.392 4.372 ( 1.950 3.694 0.000) 4.177 4.397 ( -2.425 1.838 0.000) 3.043 4.411 ( 1.339 2.500 0.000) 2.836 4.484 ( -1.484 1.769 0.000) 2.309 4.506 ( -1.903 1.372 0.000) 2.346 4.613 ( -0.377 0.287 0.000) 0.474 4.632 ( -2.026 0.339 0.000) 2.055 4.699 ( -3.373 4.875 0.000) 5.929 4.732 ( 2.197 -1.413 0.000) 2.612 4.794 ( -3.933 -0.201 0.000) 3.938 4.902 ( -3.795 3.212 0.000) 4.972 4.967 ( -3.951 -2.962 0.000) 4.937 4.997 ( -3.795 -1.176 0.000) 3.973 5.080 ( -2.067 -0.791 0.000) 2.214 5.183 ( -3.204 -1.463 0.000) 3.523 5.196 ( -0.610 -0.110 0.000) 0.620 5.263 ( -5.103 -2.506 0.000) 5.686 5.332 ( -0.506 0.154 0.000) 0.529 5.334 ( -0.644 0.388 0.000) 0.752 5.523 ( 7.648 -3.645 0.000) 8.473 5.623 ( 7.791 -3.816 0.000) 8.675 5.641 ( 5.761 -2.950 0.000) 6.473 5.704 ( 0.299 -5.511 0.000) 5.519 5.816 ( 12.840 -4.400 0.000) 13.573 6.092 ( 5.833 -14.123 0.000) 15.280 ======================= Grid point 7 (6/63) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -2.945 5.435 0.000) 6.181 0.807 ( 2.945 5.435 0.000) 6.181 1.022 ( -1.888 7.857 0.000) 8.081 1.022 ( 1.888 7.857 0.000) 8.081 1.150 ( -10.586 5.839 0.000) 12.090 1.150 ( 10.586 5.839 0.000) 12.090 1.477 ( -6.392 1.031 0.000) 6.475 1.477 ( 6.392 1.031 0.000) 6.475 1.656 ( -10.348 5.535 0.000) 11.735 1.656 ( 10.348 5.535 0.000) 11.735 1.771 ( -6.957 7.483 0.000) 10.218 1.771 ( 6.957 7.483 0.000) 10.218 1.971 ( -1.930 10.499 0.000) 10.675 1.971 ( 1.930 10.499 0.000) 10.675 1.995 ( -4.402 4.357 0.000) 6.193 1.995 ( 4.402 4.357 0.000) 6.193 2.153 ( -1.886 6.518 0.000) 6.785 2.153 ( 1.886 6.518 0.000) 6.785 2.273 ( -1.449 -1.417 0.000) 2.027 2.273 ( 1.449 -1.417 0.000) 2.027 2.393 ( -0.216 1.013 0.000) 1.036 2.393 ( 0.216 1.013 0.000) 1.036 2.518 ( -1.072 -0.376 0.000) 1.136 2.518 ( 1.072 -0.376 0.000) 1.136 2.612 ( -0.071 6.019 0.000) 6.020 2.612 ( 0.071 6.019 0.000) 6.020 2.768 ( -1.308 1.314 0.000) 1.854 2.768 ( 1.308 1.314 0.000) 1.854 2.833 ( -4.877 0.545 0.000) 4.907 2.833 ( 4.877 0.545 0.000) 4.907 2.939 ( -5.191 -4.492 0.000) 6.865 2.939 ( 5.191 -4.492 0.000) 6.865 3.076 ( -15.821 0.964 0.000) 15.851 3.076 ( 15.821 0.964 0.000) 15.851 3.472 ( -15.642 -4.023 0.000) 16.151 3.472 ( 15.642 -4.023 0.000) 16.151 3.886 ( -0.036 4.231 0.000) 4.231 3.886 ( 0.036 4.231 0.000) 4.231 3.948 ( -1.094 4.434 0.000) 4.567 3.948 ( 1.094 4.434 0.000) 4.567 4.194 ( -1.012 4.568 0.000) 4.679 4.194 ( 1.012 4.568 0.000) 4.679 4.216 ( -0.858 4.049 0.000) 4.138 4.216 ( 0.858 4.049 0.000) 4.138 4.301 ( -0.403 -0.813 0.000) 0.907 4.301 ( 0.403 -0.813 0.000) 0.907 4.341 ( -2.507 -0.469 0.000) 2.550 4.341 ( 2.507 -0.469 0.000) 2.550 4.430 ( -2.897 2.930 0.000) 4.120 4.430 ( 2.897 2.930 0.000) 4.120 4.459 ( -2.389 2.687 0.000) 3.595 4.459 ( 2.389 2.687 0.000) 3.595 4.623 ( -1.649 2.212 0.000) 2.759 4.623 ( 1.649 2.212 0.000) 2.759 4.645 ( -3.826 -0.025 0.000) 3.826 4.645 ( 3.826 -0.025 0.000) 3.826 4.872 ( -5.324 -1.754 0.000) 5.605 4.872 ( 5.324 -1.754 0.000) 5.605 4.921 ( -2.287 -1.692 0.000) 2.845 4.921 ( 2.287 -1.692 0.000) 2.845 5.106 ( -3.051 -0.766 0.000) 3.146 5.106 ( 3.051 -0.766 0.000) 3.146 5.200 ( -1.180 -1.672 0.000) 2.046 5.200 ( 1.180 -1.672 0.000) 2.046 5.328 ( -0.029 0.370 0.000) 0.372 5.328 ( 0.029 0.370 0.000) 0.372 5.626 ( -3.009 -5.123 0.000) 5.941 5.626 ( 3.009 -5.123 0.000) 5.941 5.751 ( -1.093 -3.314 0.000) 3.489 5.751 ( 1.093 -3.314 0.000) 3.489 6.053 ( -7.192 -7.324 0.000) 10.265 6.053 ( 7.192 -7.324 0.000) 10.265 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.000 18.674 0.000) 18.674 0.973 ( 0.000 24.229 0.000) 24.229 1.133 ( 0.000 8.135 0.000) 8.135 1.250 ( 0.000 16.499 0.000) 16.499 1.367 ( 0.000 4.566 0.000) 4.566 1.382 ( 0.000 -6.627 0.000) 6.627 1.461 ( 0.000 32.636 0.000) 32.636 1.509 ( 0.000 0.886 0.000) 0.886 1.526 ( 0.000 -0.380 0.000) 0.380 1.639 ( 0.000 2.835 0.000) 2.835 1.681 ( 0.000 6.932 0.000) 6.932 1.783 ( 0.000 6.092 0.000) 6.092 1.942 ( 0.000 6.496 0.000) 6.496 1.958 ( 0.000 4.521 0.000) 4.521 2.199 ( 0.000 5.934 0.000) 5.934 2.241 ( 0.000 7.099 0.000) 7.099 2.262 ( 0.000 3.067 0.000) 3.067 2.343 ( 0.000 17.879 0.000) 17.879 2.367 ( 0.000 -1.509 0.000) 1.509 2.384 ( 0.000 5.101 0.000) 5.101 2.468 ( 0.000 12.951 0.000) 12.951 2.508 ( 0.000 -0.864 0.000) 0.864 2.513 ( 0.000 -2.378 0.000) 2.378 2.605 ( 0.000 3.988 0.000) 3.988 2.621 ( 0.000 -1.575 0.000) 1.575 2.656 ( 0.000 -1.632 0.000) 1.632 2.677 ( 0.000 8.892 0.000) 8.892 2.723 ( 0.000 1.268 0.000) 1.268 2.739 ( 0.000 13.156 0.000) 13.156 2.811 ( 0.000 3.078 0.000) 3.078 2.948 ( 0.000 5.110 0.000) 5.110 2.987 ( 0.000 -10.201 0.000) 10.201 3.005 ( 0.000 5.967 0.000) 5.967 3.062 ( 0.000 -4.150 0.000) 4.150 3.642 ( 0.000 1.808 0.000) 1.808 3.932 ( 0.000 -4.726 0.000) 4.726 3.972 ( 0.000 2.905 0.000) 2.905 3.995 ( 0.000 3.664 0.000) 3.664 4.009 ( 0.000 4.627 0.000) 4.627 4.122 ( 0.000 5.118 0.000) 5.118 4.202 ( 0.000 -2.395 0.000) 2.395 4.203 ( 0.000 -1.233 0.000) 1.233 4.269 ( 0.000 -0.788 0.000) 0.788 4.310 ( 0.000 -2.294 0.000) 2.294 4.312 ( 0.000 6.613 0.000) 6.613 4.340 ( 0.000 4.580 0.000) 4.580 4.360 ( 0.000 5.943 0.000) 5.943 4.452 ( 0.000 1.302 0.000) 1.302 4.458 ( 0.000 2.910 0.000) 2.910 4.468 ( 0.000 6.797 0.000) 6.797 4.495 ( 0.000 -1.696 0.000) 1.696 4.500 ( 0.000 -0.936 0.000) 0.936 4.596 ( 0.000 -2.018 0.000) 2.018 4.685 ( 0.000 0.877 0.000) 0.877 4.689 ( 0.000 -1.232 0.000) 1.232 4.697 ( 0.000 -1.338 0.000) 1.338 4.891 ( 0.000 5.481 0.000) 5.481 4.927 ( 0.000 -8.537 0.000) 8.537 4.994 ( 0.000 -4.617 0.000) 4.617 5.089 ( 0.000 -3.662 0.000) 3.662 5.133 ( 0.000 -2.101 0.000) 2.101 5.179 ( 0.000 -1.428 0.000) 1.428 5.249 ( 0.000 -0.802 0.000) 0.802 5.286 ( 0.000 -1.462 0.000) 1.462 5.345 ( 0.000 0.616 0.000) 0.616 5.356 ( 0.000 -6.766 0.000) 6.766 5.387 ( 0.000 -1.586 0.000) 1.586 5.428 ( 0.000 -1.318 0.000) 1.318 5.443 ( 0.000 -2.843 0.000) 2.843 5.516 ( 0.000 -3.593 0.000) 3.593 5.567 ( 0.000 -7.947 0.000) 7.947 5.734 ( 0.000 -1.360 0.000) 1.360 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 4.492 18.321 0.000) 18.864 1.030 ( 4.116 21.430 0.000) 21.821 1.198 ( 2.373 11.311 0.000) 11.558 1.231 ( -9.146 1.852 0.000) 9.332 1.338 ( 3.706 8.218 0.000) 9.015 1.404 ( 5.422 8.282 0.000) 9.899 1.410 ( -3.593 2.200 0.000) 4.213 1.596 ( -0.529 3.192 0.000) 3.235 1.651 ( 11.627 21.658 0.000) 24.582 1.689 ( 3.303 -0.284 0.000) 3.315 1.693 ( 7.481 10.914 0.000) 13.232 1.842 ( 4.390 3.486 0.000) 5.605 1.942 ( 1.211 2.659 0.000) 2.922 2.080 ( 7.881 4.852 0.000) 9.255 2.170 ( -2.218 5.999 0.000) 6.396 2.256 ( 0.209 1.812 0.000) 1.824 2.262 ( 0.956 6.634 0.000) 6.702 2.340 ( -1.728 1.983 0.000) 2.630 2.353 ( 0.488 18.132 0.000) 18.139 2.399 ( 0.808 4.681 0.000) 4.750 2.437 ( -2.283 13.007 0.000) 13.206 2.483 ( -3.554 1.792 0.000) 3.980 2.527 ( 1.036 0.634 0.000) 1.215 2.585 ( 3.620 -2.507 0.000) 4.404 2.604 ( -5.387 6.705 0.000) 8.600 2.663 ( 2.505 -2.138 0.000) 3.293 2.720 ( 1.182 6.127 0.000) 6.240 2.738 ( 4.217 -0.187 0.000) 4.221 2.795 ( 1.459 5.327 0.000) 5.523 2.872 ( 5.957 3.042 0.000) 6.688 2.930 ( -1.206 5.541 0.000) 5.670 2.943 ( -1.268 2.700 0.000) 2.983 3.003 ( -5.419 -4.392 0.000) 6.975 3.113 ( 7.605 -4.705 0.000) 8.943 3.488 ( -13.522 2.754 0.000) 13.800 3.765 ( -15.204 -5.632 0.000) 16.213 3.972 ( 0.176 3.978 0.000) 3.982 3.988 ( -0.603 5.158 0.000) 5.193 4.014 ( 1.244 3.700 0.000) 3.904 4.086 ( -2.385 5.252 0.000) 5.768 4.210 ( 0.776 -1.341 0.000) 1.550 4.221 ( 1.550 -3.031 0.000) 3.404 4.255 ( -0.980 -1.437 0.000) 1.739 4.288 ( -1.494 -1.839 0.000) 2.369 4.324 ( -0.460 5.675 0.000) 5.693 4.335 ( -1.433 5.336 0.000) 5.525 4.337 ( 1.432 5.009 0.000) 5.210 4.433 ( -0.893 0.733 0.000) 1.155 4.433 ( -2.131 2.597 0.000) 3.359 4.478 ( -0.040 -0.942 0.000) 0.943 4.479 ( 0.375 4.667 0.000) 4.682 4.523 ( -0.448 -0.920 0.000) 1.023 4.615 ( 1.586 0.290 0.000) 1.612 4.664 ( -0.385 2.646 0.000) 2.673 4.676 ( -1.458 -3.565 0.000) 3.852 4.721 ( 2.227 -1.379 0.000) 2.619 4.847 ( -2.895 5.615 0.000) 6.317 4.875 ( -2.356 -6.092 0.000) 6.532 4.945 ( -3.902 -4.520 0.000) 5.971 4.973 ( -7.695 2.358 0.000) 8.048 5.065 ( -1.704 -0.620 0.000) 1.813 5.142 ( -2.290 -2.510 0.000) 3.398 5.192 ( -2.167 -0.098 0.000) 2.169 5.216 ( -4.406 -1.364 0.000) 4.613 5.341 ( -0.177 0.529 0.000) 0.557 5.344 ( -0.584 0.337 0.000) 0.674 5.437 ( 5.747 -4.505 0.000) 7.302 5.498 ( 1.738 -8.128 0.000) 8.311 5.570 ( 5.035 -3.847 0.000) 6.336 5.603 ( 6.315 -4.155 0.000) 7.559 5.720 ( 11.154 -4.771 0.000) 12.131 5.874 ( 6.055 -8.081 0.000) 10.098 ======================= Grid point 12 (9/63) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -4.670 12.635 0.000) 13.471 0.995 ( 4.670 12.635 0.000) 13.471 1.231 ( -6.751 12.925 0.000) 14.581 1.231 ( 6.751 12.925 0.000) 14.581 1.306 ( -5.084 9.932 0.000) 11.158 1.306 ( 5.084 9.932 0.000) 11.158 1.544 ( -4.128 5.508 0.000) 6.883 1.544 ( 4.128 5.508 0.000) 6.883 1.733 ( -0.224 2.513 0.000) 2.523 1.733 ( 0.224 2.513 0.000) 2.523 1.918 ( -1.206 4.462 0.000) 4.622 1.918 ( 1.206 4.462 0.000) 4.622 2.050 ( -10.022 9.190 0.000) 13.597 2.050 ( 10.022 9.190 0.000) 13.597 2.262 ( -1.751 2.407 0.000) 2.977 2.262 ( 1.751 2.407 0.000) 2.977 2.280 ( -5.630 4.232 0.000) 7.043 2.280 ( 5.630 4.232 0.000) 7.043 2.364 ( -1.660 18.186 0.000) 18.261 2.364 ( 1.660 18.186 0.000) 18.261 2.425 ( -1.760 3.969 0.000) 4.342 2.425 ( 1.760 3.969 0.000) 4.342 2.532 ( -0.627 2.351 0.000) 2.433 2.532 ( 0.627 2.351 0.000) 2.433 2.694 ( -3.465 1.609 0.000) 3.821 2.694 ( 3.465 1.609 0.000) 3.821 2.797 ( -4.049 0.295 0.000) 4.060 2.797 ( 4.049 0.295 0.000) 4.060 2.816 ( -7.721 -2.316 0.000) 8.060 2.816 ( 7.721 -2.316 0.000) 8.060 2.914 ( -0.111 4.560 0.000) 4.561 2.914 ( 0.111 4.560 0.000) 4.561 3.125 ( -15.312 3.605 0.000) 15.731 3.125 ( 15.312 3.605 0.000) 15.731 3.374 ( -16.090 -5.631 0.000) 17.046 3.374 ( 16.090 -5.631 0.000) 17.046 3.979 ( -0.356 4.750 0.000) 4.763 3.979 ( 0.356 4.750 0.000) 4.763 4.043 ( -1.424 4.538 0.000) 4.757 4.043 ( 1.424 4.538 0.000) 4.757 4.232 ( -1.072 -1.406 0.000) 1.768 4.232 ( 1.072 -1.406 0.000) 1.768 4.256 ( -1.352 -2.498 0.000) 2.841 4.256 ( 1.352 -2.498 0.000) 2.841 4.315 ( -0.155 4.972 0.000) 4.975 4.315 ( 0.155 4.972 0.000) 4.975 4.384 ( -2.260 4.386 0.000) 4.934 4.384 ( 2.260 4.386 0.000) 4.934 4.453 ( -2.053 -0.735 0.000) 2.181 4.453 ( 2.053 -0.735 0.000) 2.181 4.487 ( -1.219 -0.032 0.000) 1.220 4.487 ( 1.219 -0.032 0.000) 1.220 4.642 ( -1.145 0.730 0.000) 1.358 4.642 ( 1.145 0.730 0.000) 1.358 4.719 ( -3.853 4.756 0.000) 6.121 4.719 ( 3.853 4.756 0.000) 6.121 4.834 ( -2.049 -1.353 0.000) 2.456 4.834 ( 2.049 -1.353 0.000) 2.456 4.872 ( -0.491 -2.812 0.000) 2.855 4.872 ( 0.491 -2.812 0.000) 2.855 5.091 ( -2.524 -0.617 0.000) 2.598 5.091 ( 2.524 -0.617 0.000) 2.598 5.166 ( -0.078 -1.391 0.000) 1.393 5.166 ( 0.078 -1.391 0.000) 1.393 5.338 ( -0.010 0.561 0.000) 0.561 5.338 ( 0.010 0.561 0.000) 0.561 5.501 ( -1.016 -6.799 0.000) 6.875 5.501 ( 1.016 -6.799 0.000) 6.875 5.672 ( -1.434 -4.309 0.000) 4.541 5.672 ( 1.434 -4.309 0.000) 4.541 5.900 ( -3.883 -7.306 0.000) 8.274 5.900 ( 3.883 -7.306 0.000) 8.274 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.000 15.803 0.000) 15.803 1.297 ( 0.000 8.547 0.000) 8.547 1.334 ( 0.000 2.041 0.000) 2.041 1.431 ( 0.000 22.104 0.000) 22.104 1.495 ( 0.000 8.122 0.000) 8.122 1.570 ( 0.000 4.675 0.000) 4.675 1.574 ( 0.000 5.351 0.000) 5.351 1.574 ( 0.000 15.830 0.000) 15.830 1.753 ( 0.000 7.915 0.000) 7.915 1.807 ( 0.000 5.935 0.000) 5.935 1.900 ( 0.000 5.642 0.000) 5.642 1.973 ( 0.000 16.364 0.000) 16.364 2.050 ( 0.000 4.846 0.000) 4.846 2.118 ( 0.000 9.380 0.000) 9.380 2.264 ( 0.000 0.657 0.000) 0.657 2.300 ( 0.000 3.566 0.000) 3.566 2.322 ( 0.000 -0.671 0.000) 0.671 2.386 ( 0.000 5.917 0.000) 5.917 2.399 ( 0.000 -9.793 0.000) 9.793 2.467 ( 0.000 -2.273 0.000) 2.273 2.468 ( 0.000 4.141 0.000) 4.141 2.506 ( 0.000 -1.786 0.000) 1.786 2.637 ( 0.000 5.827 0.000) 5.827 2.668 ( 0.000 -1.255 0.000) 1.255 2.754 ( 0.000 8.615 0.000) 8.615 2.758 ( 0.000 6.063 0.000) 6.063 2.759 ( 0.000 0.903 0.000) 0.903 2.767 ( 0.000 -5.972 0.000) 5.972 2.841 ( 0.000 15.313 0.000) 15.313 2.853 ( 0.000 1.812 0.000) 1.812 2.984 ( 0.000 10.506 0.000) 10.506 2.986 ( 0.000 -3.178 0.000) 3.178 3.124 ( 0.000 6.750 0.000) 6.750 3.134 ( 0.000 10.569 0.000) 10.569 3.710 ( 0.000 4.558 0.000) 4.558 3.812 ( 0.000 -6.470 0.000) 6.470 4.000 ( 0.000 -0.280 0.000) 0.280 4.046 ( 0.000 1.133 0.000) 1.133 4.081 ( 0.000 1.664 0.000) 1.664 4.138 ( 0.000 -0.833 0.000) 0.833 4.188 ( 0.000 1.122 0.000) 1.122 4.221 ( 0.000 -3.246 0.000) 3.246 4.231 ( 0.000 3.003 0.000) 3.003 4.264 ( 0.000 -1.585 0.000) 1.585 4.418 ( 0.000 2.720 0.000) 2.720 4.419 ( 0.000 -2.828 0.000) 2.828 4.431 ( 0.000 4.772 0.000) 4.772 4.449 ( 0.000 -0.667 0.000) 0.667 4.491 ( 0.000 3.622 0.000) 3.622 4.518 ( 0.000 3.063 0.000) 3.063 4.534 ( 0.000 -3.607 0.000) 3.607 4.542 ( 0.000 4.132 0.000) 4.132 4.590 ( 0.000 4.671 0.000) 4.671 4.638 ( 0.000 -2.641 0.000) 2.641 4.683 ( 0.000 0.888 0.000) 0.888 4.691 ( 0.000 -2.218 0.000) 2.218 4.752 ( 0.000 -6.606 0.000) 6.606 4.879 ( 0.000 -5.604 0.000) 5.604 5.019 ( 0.000 4.414 0.000) 4.414 5.040 ( 0.000 -0.242 0.000) 0.242 5.083 ( 0.000 -2.878 0.000) 2.878 5.138 ( 0.000 -3.648 0.000) 3.648 5.254 ( 0.000 1.419 0.000) 1.419 5.257 ( 0.000 -1.362 0.000) 1.362 5.283 ( 0.000 0.044 0.000) 0.044 5.333 ( 0.000 -6.751 0.000) 6.751 5.350 ( 0.000 -0.856 0.000) 0.856 5.354 ( 0.000 -1.685 0.000) 1.685 5.408 ( 0.000 -0.721 0.000) 0.721 5.447 ( 0.000 -3.247 0.000) 3.247 5.490 ( 0.000 -0.393 0.000) 0.393 5.691 ( 0.000 -3.128 0.000) 3.128 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 4.100 16.603 0.000) 17.102 1.323 ( -2.548 7.597 0.000) 8.013 1.418 ( 3.588 11.092 0.000) 11.658 1.419 ( -0.501 13.465 0.000) 13.474 1.494 ( 5.191 7.834 0.000) 9.398 1.509 ( 2.736 11.505 0.000) 11.826 1.603 ( 3.321 11.174 0.000) 11.657 1.704 ( 2.879 6.855 0.000) 7.435 1.740 ( 0.229 5.826 0.000) 5.831 1.842 ( 1.273 8.491 0.000) 8.586 1.917 ( 1.553 4.019 0.000) 4.309 1.999 ( -0.346 4.830 0.000) 4.842 2.086 ( 6.042 11.847 0.000) 13.298 2.167 ( 5.637 3.522 0.000) 6.647 2.251 ( -0.446 1.195 0.000) 1.275 2.282 ( -0.053 3.021 0.000) 3.021 2.337 ( 0.096 0.496 0.000) 0.505 2.379 ( -0.651 5.410 0.000) 5.449 2.433 ( 2.921 -6.294 0.000) 6.939 2.454 ( -0.864 1.977 0.000) 2.158 2.494 ( -1.190 -2.872 0.000) 3.109 2.528 ( 3.810 0.484 0.000) 3.841 2.633 ( 2.495 1.680 0.000) 3.008 2.640 ( -2.515 -0.112 0.000) 2.518 2.702 ( -2.349 4.027 0.000) 4.662 2.759 ( 0.969 7.333 0.000) 7.396 2.811 ( 1.860 7.496 0.000) 7.723 2.829 ( 3.145 11.432 0.000) 11.856 2.916 ( 8.655 -0.869 0.000) 8.699 2.917 ( -5.580 -2.799 0.000) 6.243 2.934 ( 4.676 4.955 0.000) 6.813 2.970 ( -1.667 9.567 0.000) 9.711 3.106 ( -2.440 10.121 0.000) 10.411 3.123 ( 0.839 4.622 0.000) 4.697 3.561 ( -13.316 3.670 0.000) 13.813 3.641 ( -15.002 -6.026 0.000) 16.167 4.026 ( 1.872 0.930 0.000) 2.090 4.056 ( 0.931 0.340 0.000) 0.991 4.064 ( -0.756 2.177 0.000) 2.305 4.144 ( -0.490 -0.625 0.000) 0.794 4.181 ( -1.021 -0.005 0.000) 1.021 4.199 ( -0.094 1.879 0.000) 1.881 4.204 ( -1.056 -2.922 0.000) 3.107 4.253 ( -1.001 -1.020 0.000) 1.429 4.390 ( -1.738 -0.763 0.000) 1.898 4.406 ( -0.923 2.836 0.000) 2.982 4.417 ( -2.268 -0.539 0.000) 2.331 4.449 ( -0.137 -1.132 0.000) 1.141 4.456 ( 0.428 4.342 0.000) 4.363 4.492 ( -0.970 1.589 0.000) 1.862 4.531 ( -1.020 3.826 0.000) 3.960 4.535 ( -3.335 0.950 0.000) 3.467 4.617 ( -0.821 -1.645 0.000) 1.839 4.622 ( 2.856 -0.688 0.000) 2.938 4.699 ( 1.591 -0.308 0.000) 1.621 4.715 ( 1.514 2.057 0.000) 2.555 4.762 ( 3.040 -3.905 0.000) 4.949 4.838 ( -2.986 -4.969 0.000) 5.797 4.951 ( -5.112 3.050 0.000) 5.953 4.995 ( -4.472 0.479 0.000) 4.498 5.056 ( 0.192 0.066 0.000) 0.203 5.089 ( -1.683 -2.817 0.000) 3.281 5.202 ( -3.260 1.140 0.000) 3.454 5.217 ( -3.547 0.508 0.000) 3.583 5.324 ( 0.390 -3.576 0.000) 3.597 5.327 ( 1.509 -2.103 0.000) 2.589 5.376 ( 2.255 -1.299 0.000) 2.603 5.379 ( 1.346 -1.537 0.000) 2.043 5.501 ( 4.795 -3.091 0.000) 5.705 5.537 ( 6.306 -2.581 0.000) 6.814 5.644 ( 9.056 -2.920 0.000) 9.515 5.750 ( 3.619 -5.256 0.000) 6.381 ======================= Grid point 17 (12/63) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.321 14.351 0.000) 14.355 1.267 ( 0.321 14.351 0.000) 14.355 1.472 ( -2.629 10.075 0.000) 10.412 1.472 ( 2.629 10.075 0.000) 10.412 1.534 ( -1.461 12.724 0.000) 12.807 1.534 ( 1.461 12.724 0.000) 12.807 1.691 ( -2.238 9.198 0.000) 9.466 1.691 ( 2.238 9.198 0.000) 9.466 1.806 ( -3.768 5.730 0.000) 6.858 1.806 ( 3.768 5.730 0.000) 6.858 1.962 ( -2.092 1.541 0.000) 2.598 1.962 ( 2.092 1.541 0.000) 2.598 2.230 ( -3.549 5.477 0.000) 6.527 2.230 ( 3.549 5.477 0.000) 6.527 2.301 ( -2.314 1.982 0.000) 3.047 2.301 ( 2.314 1.982 0.000) 3.047 2.339 ( -4.055 3.098 0.000) 5.103 2.339 ( 4.055 3.098 0.000) 5.103 2.451 ( -0.878 -0.706 0.000) 1.127 2.451 ( 0.878 -0.706 0.000) 1.127 2.545 ( -6.065 -0.173 0.000) 6.067 2.545 ( 6.065 -0.173 0.000) 6.067 2.636 ( -4.204 1.181 0.000) 4.367 2.636 ( 4.204 1.181 0.000) 4.367 2.750 ( -7.366 -0.640 0.000) 7.394 2.750 ( 7.366 -0.640 0.000) 7.394 2.817 ( -2.200 11.389 0.000) 11.599 2.817 ( 2.200 11.389 0.000) 11.599 2.914 ( -3.719 9.955 0.000) 10.627 2.914 ( 3.719 9.955 0.000) 10.627 3.027 ( -4.154 7.399 0.000) 8.485 3.027 ( 4.154 7.399 0.000) 8.485 3.194 ( -15.688 3.024 0.000) 15.977 3.194 ( 15.688 3.024 0.000) 15.977 3.264 ( -14.030 -4.882 0.000) 14.855 3.264 ( 14.030 -4.882 0.000) 14.855 4.053 ( -0.517 2.220 0.000) 2.280 4.053 ( 0.517 2.220 0.000) 2.280 4.097 ( -2.427 0.288 0.000) 2.444 4.097 ( 2.427 0.288 0.000) 2.444 4.186 ( -0.619 -2.180 0.000) 2.266 4.186 ( 0.619 -2.180 0.000) 2.266 4.224 ( -1.461 0.039 0.000) 1.461 4.224 ( 1.461 0.039 0.000) 1.461 4.367 ( -0.287 -0.644 0.000) 0.705 4.367 ( 0.287 -0.644 0.000) 0.705 4.439 ( -2.494 1.027 0.000) 2.697 4.439 ( 2.494 1.027 0.000) 2.697 4.460 ( -1.061 0.832 0.000) 1.348 4.460 ( 1.061 0.832 0.000) 1.348 4.502 ( -1.165 3.455 0.000) 3.646 4.502 ( 1.165 3.455 0.000) 3.646 4.625 ( -1.030 -1.771 0.000) 2.048 4.625 ( 1.030 -1.771 0.000) 2.048 4.751 ( -2.489 -1.768 0.000) 3.053 4.751 ( 2.489 -1.768 0.000) 3.053 4.836 ( -5.413 1.582 0.000) 5.639 4.836 ( 5.413 1.582 0.000) 5.639 4.860 ( -5.535 1.278 0.000) 5.681 4.860 ( 5.535 1.278 0.000) 5.681 5.075 ( -0.441 -1.155 0.000) 1.237 5.075 ( 0.441 -1.155 0.000) 1.237 5.162 ( -0.557 0.827 0.000) 0.997 5.162 ( 0.557 0.827 0.000) 0.997 5.332 ( -0.248 -1.774 0.000) 1.792 5.332 ( 0.248 -1.774 0.000) 1.792 5.400 ( -0.208 -2.273 0.000) 2.283 5.400 ( 0.208 -2.273 0.000) 2.283 5.595 ( -1.601 -3.292 0.000) 3.661 5.595 ( 1.601 -3.292 0.000) 3.661 5.779 ( -2.145 -5.140 0.000) 5.570 5.779 ( 2.145 -5.140 0.000) 5.570 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 11.596 0.000) 11.596 1.452 ( 0.000 9.244 0.000) 9.244 1.459 ( 0.000 7.713 0.000) 7.713 1.668 ( 0.000 8.964 0.000) 8.964 1.688 ( 0.000 6.706 0.000) 6.706 1.700 ( 0.000 6.977 0.000) 6.977 1.824 ( 0.000 17.107 0.000) 17.107 1.847 ( 0.000 11.138 0.000) 11.138 1.910 ( 0.000 3.983 0.000) 3.983 1.921 ( 0.000 8.430 0.000) 8.430 1.997 ( 0.000 3.912 0.000) 3.912 2.138 ( 0.000 3.312 0.000) 3.312 2.146 ( 0.000 -0.801 0.000) 0.801 2.199 ( 0.000 5.636 0.000) 5.636 2.213 ( 0.000 -6.805 0.000) 6.805 2.253 ( 0.000 -1.075 0.000) 1.075 2.311 ( 0.000 0.498 0.000) 0.498 2.318 ( 0.000 -5.037 0.000) 5.037 2.474 ( 0.000 -1.624 0.000) 1.624 2.489 ( 0.000 2.616 0.000) 2.616 2.498 ( 0.000 4.176 0.000) 4.176 2.532 ( 0.000 1.960 0.000) 1.960 2.546 ( 0.000 -8.239 0.000) 8.239 2.590 ( 0.000 -4.913 0.000) 4.913 2.696 ( 0.000 1.134 0.000) 1.134 2.757 ( 0.000 -0.996 0.000) 0.996 2.820 ( 0.000 -0.851 0.000) 0.851 2.913 ( 0.000 5.054 0.000) 5.054 2.948 ( 0.000 -0.133 0.000) 0.133 3.011 ( 0.000 0.930 0.000) 0.930 3.117 ( 0.000 2.694 0.000) 2.694 3.136 ( 0.000 21.200 0.000) 21.200 3.256 ( 0.000 0.528 0.000) 0.528 3.348 ( 0.000 14.867 0.000) 14.867 3.714 ( 0.000 -2.629 0.000) 2.629 3.791 ( 0.000 2.740 0.000) 2.740 3.969 ( 0.000 -2.385 0.000) 2.385 4.030 ( 0.000 -2.516 0.000) 2.516 4.120 ( 0.000 3.499 0.000) 3.499 4.164 ( 0.000 3.604 0.000) 3.604 4.166 ( 0.000 -2.056 0.000) 2.056 4.224 ( 0.000 1.831 0.000) 1.831 4.247 ( 0.000 -1.436 0.000) 1.436 4.249 ( 0.000 -0.306 0.000) 0.306 4.380 ( 0.000 -0.959 0.000) 0.959 4.418 ( 0.000 -1.233 0.000) 1.233 4.442 ( 0.000 -1.557 0.000) 1.557 4.463 ( 0.000 2.338 0.000) 2.338 4.529 ( 0.000 2.387 0.000) 2.387 4.548 ( 0.000 -1.654 0.000) 1.654 4.556 ( 0.000 1.938 0.000) 1.938 4.587 ( 0.000 -2.413 0.000) 2.413 4.611 ( 0.000 2.683 0.000) 2.683 4.650 ( 0.000 4.105 0.000) 4.105 4.651 ( 0.000 1.404 0.000) 1.404 4.726 ( 0.000 3.299 0.000) 3.299 4.728 ( 0.000 0.373 0.000) 0.373 4.806 ( 0.000 -2.057 0.000) 2.057 5.012 ( 0.000 -0.857 0.000) 0.857 5.022 ( 0.000 -3.350 0.000) 3.350 5.059 ( 0.000 -3.630 0.000) 3.630 5.099 ( 0.000 2.182 0.000) 2.182 5.199 ( 0.000 -6.221 0.000) 6.221 5.236 ( 0.000 -0.762 0.000) 0.762 5.294 ( 0.000 2.025 0.000) 2.025 5.320 ( 0.000 2.725 0.000) 2.725 5.322 ( 0.000 -1.526 0.000) 1.526 5.342 ( 0.000 -0.182 0.000) 0.182 5.390 ( 0.000 -2.637 0.000) 2.637 5.399 ( 0.000 -0.301 0.000) 0.301 5.495 ( 0.000 0.135 0.000) 0.135 5.606 ( 0.000 -5.527 0.000) 5.527 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 3.661 10.040 0.000) 10.687 1.554 ( 4.833 10.919 0.000) 11.940 1.582 ( -3.007 7.621 0.000) 8.193 1.619 ( 7.280 8.725 0.000) 11.363 1.660 ( 2.981 9.534 0.000) 9.989 1.811 ( 0.920 9.335 0.000) 9.380 1.812 ( 0.943 10.038 0.000) 10.083 1.820 ( 2.519 8.575 0.000) 8.937 1.916 ( 0.058 10.207 0.000) 10.207 1.975 ( 1.332 3.983 0.000) 4.200 1.997 ( -0.044 4.230 0.000) 4.230 2.072 ( -3.269 2.035 0.000) 3.850 2.181 ( 5.271 1.956 0.000) 5.623 2.217 ( 1.768 -3.267 0.000) 3.714 2.248 ( -0.033 -0.701 0.000) 0.702 2.273 ( 5.764 3.178 0.000) 6.582 2.330 ( 1.171 -0.365 0.000) 1.226 2.353 ( 2.342 -3.869 0.000) 4.523 2.456 ( -0.304 -0.942 0.000) 0.990 2.461 ( -3.545 -1.987 0.000) 4.064 2.488 ( -1.362 4.285 0.000) 4.497 2.550 ( 3.718 0.843 0.000) 3.812 2.581 ( 0.534 -2.911 0.000) 2.960 2.611 ( 3.136 -2.521 0.000) 4.024 2.730 ( -2.035 -0.031 0.000) 2.035 2.749 ( 3.702 -2.287 0.000) 4.351 2.863 ( -6.283 -1.918 0.000) 6.570 2.882 ( 5.995 -2.124 0.000) 6.360 2.941 ( 0.989 3.452 0.000) 3.591 3.038 ( 2.461 -0.170 0.000) 2.467 3.119 ( -0.856 3.993 0.000) 4.084 3.164 ( 2.881 19.414 0.000) 19.627 3.243 ( -0.793 1.099 0.000) 1.355 3.327 ( -1.653 14.688 0.000) 14.781 3.538 ( -14.787 -0.239 0.000) 14.789 3.656 ( -12.350 3.372 0.000) 12.802 4.002 ( 2.674 -2.383 0.000) 3.581 4.036 ( 0.523 -2.201 0.000) 2.263 4.090 ( -2.226 1.324 0.000) 2.590 4.137 ( -2.012 0.511 0.000) 2.076 4.160 ( -0.172 -1.426 0.000) 1.437 4.193 ( -1.213 0.917 0.000) 1.521 4.247 ( -0.380 2.353 0.000) 2.384 4.247 ( -0.127 -0.107 0.000) 0.166 4.368 ( -0.857 -0.256 0.000) 0.894 4.382 ( -3.259 -1.175 0.000) 3.464 4.422 ( 0.309 -0.836 0.000) 0.892 4.464 ( 0.321 3.089 0.000) 3.106 4.511 ( -3.219 -1.184 0.000) 3.430 4.535 ( -1.740 2.043 0.000) 2.684 4.539 ( 0.864 2.011 0.000) 2.189 4.601 ( 1.166 -0.220 0.000) 1.186 4.602 ( -0.852 2.801 0.000) 2.928 4.635 ( -1.024 3.324 0.000) 3.479 4.704 ( 3.393 -2.021 0.000) 3.949 4.717 ( -0.414 2.162 0.000) 2.201 4.751 ( 2.239 0.585 0.000) 2.314 4.789 ( 0.706 -0.744 0.000) 1.026 4.963 ( -3.573 -0.770 0.000) 3.655 4.977 ( -3.902 -2.200 0.000) 4.480 5.039 ( -0.383 -2.083 0.000) 2.118 5.078 ( -0.921 1.417 0.000) 1.690 5.170 ( -1.412 -4.524 0.000) 4.740 5.215 ( -3.219 -0.530 0.000) 3.263 5.305 ( 0.889 0.465 0.000) 1.003 5.313 ( -0.025 2.340 0.000) 2.340 5.360 ( 2.356 -0.630 0.000) 2.439 5.378 ( 1.256 0.346 0.000) 1.303 5.449 ( 5.023 -2.167 0.000) 5.470 5.499 ( 5.324 -1.375 0.000) 5.499 5.597 ( 6.610 -2.170 0.000) 6.957 5.648 ( 3.026 -5.442 0.000) 6.226 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -1.218 11.650 0.000) 11.714 1.532 ( 1.218 11.650 0.000) 11.714 1.633 ( -4.271 7.363 0.000) 8.513 1.633 ( 4.271 7.363 0.000) 8.513 1.765 ( -3.464 10.242 0.000) 10.812 1.765 ( 3.464 10.242 0.000) 10.812 1.861 ( -0.896 6.586 0.000) 6.647 1.861 ( 0.896 6.586 0.000) 6.647 1.950 ( -2.318 6.115 0.000) 6.540 1.950 ( 2.318 6.115 0.000) 6.540 2.008 ( -1.696 5.133 0.000) 5.405 2.008 ( 1.696 5.133 0.000) 5.405 2.248 ( -0.474 -2.314 0.000) 2.362 2.248 ( 0.474 -2.314 0.000) 2.362 2.338 ( -2.629 2.689 0.000) 3.761 2.338 ( 2.629 2.689 0.000) 3.761 2.383 ( -2.111 -3.680 0.000) 4.243 2.383 ( 2.111 -3.680 0.000) 4.243 2.426 ( -4.852 3.920 0.000) 6.238 2.426 ( 4.852 3.920 0.000) 6.238 2.537 ( -5.499 -0.406 0.000) 5.514 2.537 ( 5.499 -0.406 0.000) 5.514 2.645 ( -5.408 0.524 0.000) 5.433 2.645 ( 5.408 0.524 0.000) 5.433 2.723 ( -4.962 -1.741 0.000) 5.258 2.723 ( 4.962 -1.741 0.000) 5.258 2.884 ( -7.552 -3.594 0.000) 8.363 2.884 ( 7.552 -3.594 0.000) 8.363 3.047 ( -6.057 1.409 0.000) 6.219 3.047 ( 6.057 1.409 0.000) 6.219 3.146 ( -8.924 -4.876 0.000) 10.169 3.146 ( 8.924 -4.876 0.000) 10.169 3.291 ( -1.030 14.270 0.000) 14.307 3.291 ( 1.030 14.270 0.000) 14.307 3.328 ( -12.136 10.219 0.000) 15.865 3.328 ( 12.136 10.219 0.000) 15.865 4.050 ( -1.310 -1.647 0.000) 2.105 4.050 ( 1.310 -1.647 0.000) 2.105 4.077 ( -3.092 -1.254 0.000) 3.337 4.077 ( 3.092 -1.254 0.000) 3.337 4.170 ( -0.967 0.033 0.000) 0.967 4.170 ( 0.967 0.033 0.000) 0.967 4.244 ( -0.112 0.911 0.000) 0.918 4.244 ( 0.112 0.911 0.000) 0.918 4.350 ( -0.320 0.492 0.000) 0.587 4.350 ( 0.320 0.492 0.000) 0.587 4.441 ( -1.753 -0.337 0.000) 1.785 4.441 ( 1.753 -0.337 0.000) 1.785 4.493 ( -1.620 2.604 0.000) 3.067 4.493 ( 1.620 2.604 0.000) 3.067 4.573 ( -1.637 2.944 0.000) 3.369 4.573 ( 1.637 2.944 0.000) 3.369 4.615 ( -0.613 1.027 0.000) 1.196 4.615 ( 0.613 1.027 0.000) 1.196 4.720 ( -0.661 -0.698 0.000) 0.961 4.720 ( 0.661 -0.698 0.000) 0.961 4.854 ( -6.210 -0.303 0.000) 6.217 4.854 ( 6.210 -0.303 0.000) 6.217 4.874 ( -4.679 -0.224 0.000) 4.684 4.874 ( 4.679 -0.224 0.000) 4.684 5.053 ( -1.300 -0.866 0.000) 1.563 5.053 ( 1.300 -0.866 0.000) 1.563 5.159 ( -0.851 -1.805 0.000) 1.995 5.159 ( 0.851 -1.805 0.000) 1.995 5.313 ( -0.040 0.979 0.000) 0.980 5.313 ( 0.040 0.979 0.000) 0.980 5.390 ( -0.247 0.158 0.000) 0.294 5.390 ( 0.247 0.158 0.000) 0.294 5.544 ( -1.777 -1.952 0.000) 2.640 5.544 ( 1.777 -1.952 0.000) 2.640 5.688 ( -0.701 -4.346 0.000) 4.402 5.688 ( 0.701 -4.346 0.000) 4.402 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 5.366 0.000) 5.366 1.586 ( 0.000 4.692 0.000) 4.692 1.666 ( 0.000 11.597 0.000) 11.597 1.816 ( 0.000 6.200 0.000) 6.200 1.825 ( 0.000 5.048 0.000) 5.048 1.833 ( 0.000 7.459 0.000) 7.459 1.936 ( 0.000 -0.506 0.000) 0.506 1.961 ( 0.000 -0.664 0.000) 0.664 2.005 ( 0.000 -0.465 0.000) 0.465 2.046 ( 0.000 3.169 0.000) 3.169 2.077 ( 0.000 -4.921 0.000) 4.921 2.084 ( 0.000 4.423 0.000) 4.423 2.142 ( 0.000 1.988 0.000) 1.988 2.212 ( 0.000 1.432 0.000) 1.432 2.225 ( 0.000 2.932 0.000) 2.932 2.256 ( 0.000 2.302 0.000) 2.302 2.299 ( 0.000 -1.138 0.000) 1.138 2.346 ( 0.000 -0.697 0.000) 0.697 2.417 ( 0.000 1.484 0.000) 1.484 2.439 ( 0.000 -1.737 0.000) 1.737 2.467 ( 0.000 -3.336 0.000) 3.336 2.538 ( 0.000 -0.296 0.000) 0.296 2.541 ( 0.000 -0.942 0.000) 0.942 2.599 ( 0.000 4.995 0.000) 4.995 2.704 ( 0.000 -4.767 0.000) 4.767 2.704 ( 0.000 0.097 0.000) 0.097 2.811 ( 0.000 0.106 0.000) 0.106 2.958 ( 0.000 -5.106 0.000) 5.106 2.966 ( 0.000 3.377 0.000) 3.377 2.991 ( 0.000 2.446 0.000) 2.446 3.107 ( 0.000 -2.765 0.000) 2.765 3.182 ( 0.000 -6.151 0.000) 6.151 3.513 ( 0.000 14.874 0.000) 14.874 3.594 ( 0.000 8.849 0.000) 8.849 3.699 ( 0.000 0.401 0.000) 0.401 3.791 ( 0.000 -2.542 0.000) 2.542 3.928 ( 0.000 -1.321 0.000) 1.321 3.970 ( 0.000 -3.043 0.000) 3.043 4.149 ( 0.000 0.714 0.000) 0.714 4.210 ( 0.000 4.603 0.000) 4.603 4.221 ( 0.000 0.580 0.000) 0.580 4.238 ( 0.000 -1.191 0.000) 1.191 4.261 ( 0.000 4.346 0.000) 4.346 4.261 ( 0.000 1.665 0.000) 1.665 4.377 ( 0.000 0.490 0.000) 0.490 4.403 ( 0.000 -0.503 0.000) 0.503 4.442 ( 0.000 1.266 0.000) 1.266 4.511 ( 0.000 2.200 0.000) 2.200 4.521 ( 0.000 1.004 0.000) 1.004 4.559 ( 0.000 0.512 0.000) 0.512 4.564 ( 0.000 -1.965 0.000) 1.965 4.594 ( 0.000 2.083 0.000) 2.083 4.642 ( 0.000 0.410 0.000) 0.410 4.646 ( 0.000 -1.947 0.000) 1.947 4.739 ( 0.000 0.835 0.000) 0.835 4.760 ( 0.000 6.200 0.000) 6.200 4.780 ( 0.000 -0.908 0.000) 0.908 4.807 ( 0.000 4.847 0.000) 4.847 4.953 ( 0.000 -3.678 0.000) 3.678 4.985 ( 0.000 -2.414 0.000) 2.414 5.009 ( 0.000 -1.189 0.000) 1.189 5.091 ( 0.000 -4.714 0.000) 4.714 5.140 ( 0.000 2.657 0.000) 2.657 5.226 ( 0.000 -0.433 0.000) 0.433 5.296 ( 0.000 -0.931 0.000) 0.931 5.324 ( 0.000 1.231 0.000) 1.231 5.342 ( 0.000 -2.316 0.000) 2.316 5.346 ( 0.000 0.583 0.000) 0.583 5.370 ( 0.000 1.506 0.000) 1.506 5.396 ( 0.000 0.697 0.000) 0.697 5.479 ( 0.000 -7.049 0.000) 7.049 5.483 ( 0.000 -1.467 0.000) 1.467 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 3.298 3.807 0.000) 5.036 1.696 ( 2.074 9.192 0.000) 9.424 1.734 ( -2.418 7.280 0.000) 7.671 1.747 ( 8.381 3.158 0.000) 8.956 1.838 ( 1.795 7.744 0.000) 7.950 1.895 ( 1.981 2.734 0.000) 3.376 1.945 ( 1.123 3.211 0.000) 3.402 1.987 ( -2.354 3.049 0.000) 3.852 1.989 ( 1.395 -0.101 0.000) 1.398 2.012 ( -0.274 0.818 0.000) 0.863 2.086 ( 2.839 -1.859 0.000) 3.393 2.118 ( 1.240 4.602 0.000) 4.766 2.163 ( 2.794 2.508 0.000) 3.755 2.229 ( 5.214 2.699 0.000) 5.871 2.246 ( -0.711 1.978 0.000) 2.102 2.296 ( 3.661 -0.948 0.000) 3.782 2.349 ( 0.061 -0.843 0.000) 0.845 2.359 ( 6.057 0.436 0.000) 6.073 2.415 ( -0.164 2.719 0.000) 2.724 2.435 ( 0.828 -0.712 0.000) 1.092 2.518 ( 4.004 -3.651 0.000) 5.419 2.530 ( -1.062 -0.322 0.000) 1.110 2.546 ( 0.324 -1.071 0.000) 1.119 2.598 ( 0.485 2.827 0.000) 2.868 2.695 ( -0.442 -3.671 0.000) 3.698 2.715 ( 0.537 -1.389 0.000) 1.489 2.846 ( 3.723 -1.012 0.000) 3.858 2.864 ( -7.093 2.029 0.000) 7.378 2.956 ( -3.169 -1.103 0.000) 3.355 2.974 ( 1.448 -5.270 0.000) 5.466 3.135 ( -0.645 -1.248 0.000) 1.405 3.173 ( -2.500 -4.948 0.000) 5.544 3.497 ( -0.909 12.548 0.000) 12.581 3.564 ( -2.390 8.047 0.000) 8.395 3.588 ( -7.872 3.005 0.000) 8.426 3.682 ( -8.984 -1.017 0.000) 9.041 3.969 ( 3.042 -0.640 0.000) 3.109 3.993 ( 2.134 -1.588 0.000) 2.660 4.137 ( -5.523 3.259 0.000) 6.413 4.149 ( 0.205 0.636 0.000) 0.668 4.163 ( -3.402 2.306 0.000) 4.110 4.214 ( -1.655 0.993 0.000) 1.930 4.235 ( -0.071 -1.339 0.000) 1.341 4.278 ( -1.843 -0.049 0.000) 1.843 4.382 ( 0.373 1.202 0.000) 1.259 4.404 ( -1.365 3.378 0.000) 3.643 4.414 ( 0.820 -0.254 0.000) 0.859 4.493 ( -2.482 -0.047 0.000) 2.483 4.526 ( 0.805 2.903 0.000) 3.013 4.573 ( 1.709 1.045 0.000) 2.003 4.579 ( -1.167 2.372 0.000) 2.644 4.605 ( 2.379 0.386 0.000) 2.410 4.633 ( -0.749 0.356 0.000) 0.830 4.668 ( 2.733 -1.680 0.000) 3.209 4.727 ( -2.592 5.511 0.000) 6.090 4.750 ( 1.201 -0.456 0.000) 1.284 4.771 ( 1.532 -1.365 0.000) 2.052 4.781 ( -2.049 4.199 0.000) 4.673 4.917 ( -2.869 -3.520 0.000) 4.541 4.937 ( -3.479 -2.367 0.000) 4.208 5.012 ( 0.603 -0.481 0.000) 0.771 5.084 ( -0.016 -3.909 0.000) 3.909 5.104 ( -2.576 1.503 0.000) 2.982 5.187 ( -3.973 -1.961 0.000) 4.431 5.326 ( 1.328 1.211 0.000) 1.797 5.350 ( 2.950 -0.350 0.000) 2.971 5.365 ( -0.232 2.434 0.000) 2.445 5.387 ( 1.245 0.568 0.000) 1.368 5.417 ( 5.541 -0.847 0.000) 5.606 5.481 ( 4.789 -0.360 0.000) 4.802 5.535 ( 4.027 -5.837 0.000) 7.092 5.550 ( 4.689 -2.681 0.000) 5.401 ======================= Grid point 27 (18/63) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.222 5.394 0.000) 5.398 1.692 ( 0.222 5.394 0.000) 5.398 1.778 ( -2.881 5.230 0.000) 5.971 1.778 ( 2.881 5.230 0.000) 5.971 1.901 ( -1.739 1.702 0.000) 2.434 1.901 ( 1.739 1.702 0.000) 2.434 1.950 ( -0.327 5.778 0.000) 5.787 1.950 ( 0.327 5.778 0.000) 5.787 2.005 ( -0.497 0.685 0.000) 0.846 2.005 ( 0.497 0.685 0.000) 0.846 2.130 ( -0.292 3.642 0.000) 3.653 2.130 ( 0.292 3.642 0.000) 3.653 2.223 ( -1.592 1.923 0.000) 2.497 2.223 ( 1.592 1.923 0.000) 2.497 2.337 ( -1.524 -1.546 0.000) 2.171 2.337 ( 1.524 -1.546 0.000) 2.171 2.405 ( -1.500 3.100 0.000) 3.444 2.405 ( 1.500 3.100 0.000) 3.444 2.464 ( -5.099 -0.391 0.000) 5.114 2.464 ( 5.099 -0.391 0.000) 5.114 2.542 ( -1.622 2.172 0.000) 2.711 2.542 ( 1.622 2.172 0.000) 2.711 2.667 ( -7.131 1.730 0.000) 7.337 2.667 ( 7.131 1.730 0.000) 7.337 2.696 ( -4.584 -0.629 0.000) 4.627 2.696 ( 4.584 -0.629 0.000) 4.627 2.778 ( -11.948 -5.958 0.000) 13.351 2.778 ( 11.948 -5.958 0.000) 13.351 3.005 ( -9.568 -3.740 0.000) 10.273 3.005 ( 9.568 -3.740 0.000) 10.273 3.038 ( -5.228 -5.459 0.000) 7.558 3.038 ( 5.228 -5.459 0.000) 7.558 3.508 ( -0.822 6.976 0.000) 7.024 3.508 ( 0.822 6.976 0.000) 7.024 3.514 ( -1.499 6.449 0.000) 6.620 3.514 ( 1.499 6.449 0.000) 6.620 4.037 ( -3.359 0.843 0.000) 3.464 4.037 ( 3.359 0.843 0.000) 3.464 4.073 ( -4.355 0.746 0.000) 4.418 4.073 ( 4.355 0.746 0.000) 4.418 4.169 ( -1.666 0.272 0.000) 1.688 4.169 ( 1.666 0.272 0.000) 1.688 4.242 ( -0.867 -1.052 0.000) 1.363 4.242 ( 0.867 -1.052 0.000) 1.363 4.391 ( -0.362 2.757 0.000) 2.780 4.391 ( 0.362 2.757 0.000) 2.780 4.441 ( -1.710 0.134 0.000) 1.715 4.441 ( 1.710 0.134 0.000) 1.715 4.550 ( -1.258 2.873 0.000) 3.136 4.550 ( 1.258 2.873 0.000) 3.136 4.609 ( -1.384 0.575 0.000) 1.499 4.609 ( 1.384 0.575 0.000) 1.499 4.662 ( -2.832 3.630 0.000) 4.604 4.662 ( 2.832 3.630 0.000) 4.604 4.731 ( -2.233 1.928 0.000) 2.950 4.731 ( 2.233 1.928 0.000) 2.950 4.821 ( -5.101 -2.880 0.000) 5.858 4.821 ( 5.101 -2.880 0.000) 5.858 4.852 ( -4.127 -2.050 0.000) 4.608 4.852 ( 4.127 -2.050 0.000) 4.608 5.045 ( -2.308 0.057 0.000) 2.309 5.045 ( 2.308 0.057 0.000) 2.309 5.107 ( -2.324 -2.929 0.000) 3.739 5.107 ( 2.324 -2.929 0.000) 3.739 5.352 ( -0.864 2.295 0.000) 2.452 5.352 ( 0.864 2.295 0.000) 2.452 5.393 ( -0.732 0.048 0.000) 0.733 5.393 ( 0.732 0.048 0.000) 0.733 5.519 ( -1.998 -0.534 0.000) 2.069 5.519 ( 1.998 -0.534 0.000) 2.069 5.603 ( -0.792 -4.192 0.000) 4.266 5.603 ( 0.792 -4.192 0.000) 4.266 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.000 -0.452 0.000) 0.452 1.628 ( 0.000 0.452 0.000) 0.452 1.847 ( 0.000 -4.486 0.000) 4.486 1.847 ( 0.000 4.486 0.000) 4.486 1.911 ( 0.000 -1.836 0.000) 1.836 1.911 ( 0.000 1.836 0.000) 1.836 1.937 ( 0.000 -5.943 0.000) 5.943 1.937 ( 0.000 5.943 0.000) 5.943 1.988 ( 0.000 -4.960 0.000) 4.960 1.988 ( 0.000 4.960 0.000) 4.960 2.067 ( 0.000 -1.421 0.000) 1.421 2.067 ( 0.000 1.421 0.000) 1.421 2.220 ( 0.000 -4.694 0.000) 4.694 2.220 ( 0.000 4.694 0.000) 4.694 2.255 ( 0.000 -0.153 0.000) 0.153 2.255 ( 0.000 0.153 0.000) 0.153 2.319 ( 0.000 -2.216 0.000) 2.216 2.319 ( 0.000 2.216 0.000) 2.216 2.421 ( 0.000 -0.510 0.000) 0.510 2.421 ( 0.000 0.510 0.000) 0.510 2.507 ( 0.000 -2.038 0.000) 2.038 2.507 ( 0.000 2.038 0.000) 2.038 2.577 ( 0.000 -6.973 0.000) 6.973 2.577 ( 0.000 6.973 0.000) 6.973 2.693 ( 0.000 -2.352 0.000) 2.352 2.693 ( 0.000 2.352 0.000) 2.352 2.848 ( 0.000 -4.622 0.000) 4.622 2.848 ( 0.000 4.622 0.000) 4.622 3.042 ( 0.000 -3.296 0.000) 3.296 3.042 ( 0.000 3.296 0.000) 3.296 3.061 ( 0.000 -5.636 0.000) 5.636 3.061 ( 0.000 5.636 0.000) 5.636 3.672 ( 0.000 -1.413 0.000) 1.413 3.672 ( 0.000 1.413 0.000) 1.413 3.729 ( 0.000 -2.798 0.000) 2.798 3.729 ( 0.000 2.798 0.000) 2.798 3.926 ( 0.000 -1.174 0.000) 1.174 3.926 ( 0.000 1.174 0.000) 1.174 4.193 ( 0.000 -3.062 0.000) 3.062 4.193 ( 0.000 3.062 0.000) 3.062 4.246 ( 0.000 -1.064 0.000) 1.064 4.246 ( 0.000 1.064 0.000) 1.064 4.293 ( 0.000 -1.297 0.000) 1.297 4.293 ( 0.000 1.297 0.000) 1.297 4.391 ( 0.000 -0.745 0.000) 0.745 4.391 ( 0.000 0.745 0.000) 0.745 4.496 ( 0.000 -3.846 0.000) 3.846 4.496 ( 0.000 3.846 0.000) 3.846 4.550 ( 0.000 -1.271 0.000) 1.271 4.550 ( 0.000 1.271 0.000) 1.271 4.582 ( 0.000 -4.019 0.000) 4.019 4.582 ( 0.000 4.019 0.000) 4.019 4.631 ( 0.000 -1.419 0.000) 1.419 4.631 ( 0.000 1.419 0.000) 1.419 4.761 ( 0.000 -1.179 0.000) 1.179 4.761 ( 0.000 1.179 0.000) 1.179 4.869 ( 0.000 -4.378 0.000) 4.378 4.869 ( 0.000 4.378 0.000) 4.378 4.910 ( 0.000 -4.558 0.000) 4.558 4.910 ( 0.000 4.558 0.000) 4.558 5.020 ( 0.000 -2.284 0.000) 2.284 5.020 ( 0.000 2.284 0.000) 2.284 5.203 ( 0.000 -2.605 0.000) 2.605 5.203 ( 0.000 2.605 0.000) 2.605 5.299 ( 0.000 -1.594 0.000) 1.594 5.299 ( 0.000 1.594 0.000) 1.594 5.363 ( 0.000 -1.016 0.000) 1.016 5.363 ( 0.000 1.016 0.000) 1.016 5.364 ( 0.000 -3.681 0.000) 3.681 5.364 ( 0.000 3.681 0.000) 3.681 5.440 ( 0.000 -2.630 0.000) 2.630 5.440 ( 0.000 2.630 0.000) 2.630 ======================= Grid point 32 (20/63) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 4.039 -2.104 0.000) 4.554 1.742 ( 4.039 2.104 0.000) 4.554 1.819 ( -2.218 -1.180 0.000) 2.512 1.819 ( -2.218 1.180 0.000) 2.512 1.932 ( 0.347 -3.313 0.000) 3.331 1.932 ( 0.347 3.313 0.000) 3.331 1.943 ( 1.938 -2.427 0.000) 3.106 1.943 ( 1.938 2.427 0.000) 3.106 2.028 ( 5.185 -2.945 0.000) 5.963 2.028 ( 5.185 2.945 0.000) 5.963 2.092 ( 1.307 -5.072 0.000) 5.237 2.092 ( 1.307 5.072 0.000) 5.237 2.257 ( 2.162 -3.874 0.000) 4.436 2.257 ( 2.162 3.874 0.000) 4.436 2.298 ( 6.340 -3.966 0.000) 7.478 2.298 ( 6.340 3.966 0.000) 7.478 2.313 ( -0.517 -2.888 0.000) 2.934 2.313 ( -0.517 2.888 0.000) 2.934 2.449 ( 3.324 -2.420 0.000) 4.112 2.449 ( 3.324 2.420 0.000) 4.112 2.491 ( -1.531 -2.336 0.000) 2.794 2.491 ( -1.531 2.336 0.000) 2.794 2.594 ( 1.526 -5.849 0.000) 6.045 2.594 ( 1.526 5.849 0.000) 6.045 2.679 ( -1.144 -3.069 0.000) 3.275 2.679 ( -1.144 3.069 0.000) 3.275 2.869 ( 2.031 -4.013 0.000) 4.498 2.869 ( 2.031 4.013 0.000) 4.498 2.917 ( -6.440 -2.693 0.000) 6.981 2.917 ( -6.440 2.693 0.000) 6.981 3.117 ( -1.498 -0.441 0.000) 1.561 3.117 ( -1.498 0.441 0.000) 1.561 3.629 ( -3.076 -1.368 0.000) 3.367 3.629 ( -3.076 1.368 0.000) 3.367 3.639 ( -6.356 -2.559 0.000) 6.852 3.639 ( -6.356 2.559 0.000) 6.852 3.973 ( 3.571 -0.728 0.000) 3.644 3.973 ( 3.571 0.728 0.000) 3.644 4.189 ( -5.245 -1.321 0.000) 5.409 4.189 ( -5.245 1.321 0.000) 5.409 4.190 ( -0.037 -2.966 0.000) 2.967 4.190 ( -0.037 2.966 0.000) 2.967 4.244 ( -2.392 -2.722 0.000) 3.623 4.244 ( -2.392 2.722 0.000) 3.623 4.404 ( 1.012 -0.870 0.000) 1.334 4.404 ( 1.012 0.870 0.000) 1.334 4.475 ( -2.017 -2.644 0.000) 3.326 4.475 ( -2.017 2.644 0.000) 3.326 4.568 ( 1.242 -1.504 0.000) 1.950 4.568 ( 1.242 1.504 0.000) 1.951 4.620 ( -0.878 -1.554 0.000) 1.785 4.620 ( -0.878 1.554 0.000) 1.785 4.632 ( 4.621 -2.123 0.000) 5.085 4.632 ( 4.621 2.123 0.000) 5.085 4.747 ( 0.260 -0.531 0.000) 0.591 4.747 ( 0.260 0.531 0.000) 0.591 4.833 ( -3.135 -4.967 0.000) 5.873 4.833 ( -3.135 4.967 0.000) 5.873 4.870 ( -2.803 -4.283 0.000) 5.119 4.870 ( -2.803 4.283 0.000) 5.119 5.025 ( 0.650 -1.880 0.000) 1.989 5.025 ( 0.650 1.880 0.000) 1.989 5.143 ( -4.234 -2.360 0.000) 4.847 5.143 ( -4.234 2.360 0.000) 4.847 5.344 ( 2.779 -0.511 0.000) 2.825 5.344 ( 2.779 0.511 0.000) 2.825 5.393 ( 0.573 -0.348 0.000) 0.670 5.393 ( 0.573 0.348 0.000) 0.670 5.438 ( 5.314 -3.336 0.000) 6.274 5.438 ( 5.314 3.336 0.000) 6.274 5.498 ( 4.234 -2.162 0.000) 4.754 5.498 ( 4.234 2.162 0.000) 4.754 ======================= Grid point 34 (21/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -1.131 -3.409 0.000) 3.591 1.777 ( 1.131 -3.409 0.000) 3.591 1.777 ( -1.131 3.409 0.000) 3.591 1.777 ( 1.131 3.409 0.000) 3.591 1.948 ( -0.712 -3.084 0.000) 3.165 1.948 ( 0.712 -3.084 0.000) 3.165 1.948 ( -0.712 3.084 0.000) 3.165 1.948 ( 0.712 3.084 0.000) 3.165 2.102 ( -0.680 -5.711 0.000) 5.752 2.102 ( 0.680 -5.711 0.000) 5.752 2.102 ( -0.680 5.711 0.000) 5.752 2.102 ( 0.680 5.711 0.000) 5.752 2.294 ( -1.237 -3.397 0.000) 3.615 2.294 ( 1.237 -3.397 0.000) 3.615 2.294 ( -1.237 3.397 0.000) 3.615 2.294 ( 1.237 3.397 0.000) 3.615 2.439 ( -3.234 -1.350 0.000) 3.504 2.439 ( -3.234 1.350 0.000) 3.504 2.439 ( 3.234 -1.350 0.000) 3.504 2.439 ( 3.234 1.350 0.000) 3.504 2.633 ( -0.561 -5.675 0.000) 5.703 2.633 ( 0.561 -5.675 0.000) 5.703 2.633 ( -0.561 5.675 0.000) 5.703 2.633 ( 0.561 5.675 0.000) 5.703 2.709 ( -13.364 -1.062 0.000) 13.406 2.709 ( -13.364 1.062 0.000) 13.406 2.709 ( 13.364 -1.062 0.000) 13.406 2.709 ( 13.364 1.062 0.000) 13.406 2.965 ( -7.570 -0.954 0.000) 7.630 2.965 ( -7.570 0.954 0.000) 7.630 2.965 ( 7.570 -0.954 0.000) 7.630 2.965 ( 7.570 0.954 0.000) 7.630 3.572 ( -1.010 -0.103 0.000) 1.016 3.572 ( -1.010 0.103 0.000) 1.016 3.572 ( 1.010 -0.103 0.000) 1.016 3.572 ( 1.010 0.103 0.000) 1.016 4.069 ( -4.846 -1.511 0.000) 5.076 4.069 ( -4.846 1.511 0.000) 5.076 4.069 ( 4.846 -1.511 0.000) 5.076 4.069 ( 4.846 1.511 0.000) 5.076 4.203 ( -1.233 -2.698 0.000) 2.966 4.203 ( 1.233 -2.698 0.000) 2.966 4.203 ( -1.233 2.698 0.000) 2.966 4.203 ( 1.233 2.698 0.000) 2.966 4.433 ( -1.569 -1.238 0.000) 1.999 4.433 ( 1.569 -1.238 0.000) 1.999 4.433 ( -1.569 1.239 0.000) 1.999 4.433 ( 1.569 1.239 0.000) 1.999 4.596 ( -1.166 -1.695 0.000) 2.057 4.596 ( 1.166 -1.695 0.000) 2.057 4.596 ( -1.166 1.695 0.000) 2.058 4.596 ( 1.166 1.695 0.000) 2.058 4.745 ( -4.590 -4.258 0.000) 6.261 4.745 ( 4.590 -4.258 0.000) 6.261 4.745 ( -4.590 4.258 0.000) 6.261 4.745 ( 4.590 4.258 0.000) 6.261 4.794 ( -3.549 -3.501 0.000) 4.985 4.794 ( 3.549 -3.501 0.000) 4.985 4.794 ( -3.549 3.501 0.000) 4.985 4.794 ( 3.549 3.501 0.000) 4.985 5.060 ( -2.663 -1.603 0.000) 3.108 5.060 ( 2.663 -1.603 0.000) 3.108 5.060 ( -2.663 1.603 0.000) 3.108 5.060 ( 2.663 1.603 0.000) 3.108 5.386 ( -1.039 -0.947 0.000) 1.406 5.386 ( 1.039 -0.947 0.000) 1.406 5.386 ( -1.039 0.947 0.000) 1.406 5.386 ( 1.039 0.947 0.000) 1.406 5.535 ( -1.825 -2.375 0.000) 2.995 5.535 ( 1.825 -2.375 0.000) 2.995 5.535 ( -1.825 2.375 0.000) 2.995 5.535 ( 1.825 2.375 0.000) 2.995 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 0.000 17.516) 17.516 0.446 ( 0.000 0.000 23.907) 23.907 0.543 ( 0.000 0.000 28.342) 28.342 0.827 ( 0.000 0.000 -4.465) 4.465 1.011 ( 0.000 0.000 7.558) 7.558 1.206 ( 0.000 0.000 -15.589) 15.589 1.302 ( 0.000 0.000 -8.982) 8.982 1.567 ( 0.000 0.000 1.984) 1.984 1.606 ( 0.000 0.000 -18.420) 18.420 1.655 ( 0.000 0.000 2.526) 2.526 1.673 ( 0.000 0.000 -2.225) 2.225 1.758 ( 0.000 0.000 -1.655) 1.655 1.794 ( 0.000 0.000 0.393) 0.393 1.826 ( 0.000 0.000 -0.584) 0.584 1.832 ( 0.000 0.000 1.252) 1.252 1.974 ( 0.000 0.000 -5.510) 5.510 1.986 ( 0.000 0.000 4.683) 4.683 2.095 ( 0.000 0.000 -1.346) 1.346 2.116 ( 0.000 0.000 7.238) 7.238 2.263 ( 0.000 0.000 4.889) 4.889 2.326 ( 0.000 0.000 3.772) 3.772 2.419 ( 0.000 0.000 -2.008) 2.008 2.486 ( 0.000 0.000 -10.231) 10.231 2.502 ( 0.000 0.000 1.283) 1.283 2.518 ( 0.000 0.000 -4.937) 4.937 2.585 ( 0.000 0.000 -0.049) 0.049 2.594 ( 0.000 0.000 0.583) 0.583 2.597 ( 0.000 0.000 -2.781) 2.781 2.832 ( 0.000 0.000 5.120) 5.120 2.879 ( 0.000 0.000 2.531) 2.531 2.917 ( 0.000 0.000 7.434) 7.434 3.029 ( 0.000 0.000 10.148) 10.148 3.165 ( 0.000 0.000 -4.906) 4.906 3.482 ( 0.000 0.000 -8.722) 8.722 3.729 ( 0.000 0.000 5.893) 5.893 3.836 ( 0.000 0.000 0.427) 0.427 3.851 ( 0.000 0.000 0.910) 0.910 3.860 ( 0.000 0.000 0.069) 0.069 3.920 ( 0.000 0.000 -1.391) 1.391 4.004 ( 0.000 0.000 -5.912) 5.912 4.117 ( 0.000 0.000 0.142) 0.142 4.132 ( 0.000 0.000 -0.663) 0.663 4.171 ( 0.000 0.000 0.223) 0.223 4.186 ( 0.000 0.000 -0.487) 0.487 4.297 ( 0.000 0.000 1.592) 1.592 4.298 ( 0.000 0.000 0.507) 0.507 4.316 ( 0.000 0.000 -0.360) 0.360 4.321 ( 0.000 0.000 1.353) 1.353 4.359 ( 0.000 0.000 -1.221) 1.221 4.371 ( 0.000 0.000 -0.823) 0.823 4.455 ( 0.000 0.000 0.106) 0.106 4.457 ( 0.000 0.000 0.060) 0.060 4.552 ( 0.000 0.000 -0.068) 0.068 4.588 ( 0.000 0.000 -3.321) 3.321 4.726 ( 0.000 0.000 2.060) 2.060 4.751 ( 0.000 0.000 0.937) 0.937 4.776 ( 0.000 0.000 1.026) 1.026 4.851 ( 0.000 0.000 -1.328) 1.328 5.089 ( 0.000 0.000 1.196) 1.196 5.126 ( 0.000 0.000 1.258) 1.258 5.177 ( 0.000 0.000 0.113) 0.113 5.182 ( 0.000 0.000 -0.297) 0.297 5.318 ( 0.000 0.000 -0.070) 0.070 5.319 ( 0.000 0.000 1.184) 1.184 5.327 ( 0.000 0.000 1.160) 1.160 5.454 ( 0.000 0.000 1.830) 1.830 5.464 ( 0.000 0.000 0.178) 0.178 5.492 ( 0.000 0.000 -3.344) 3.344 5.508 ( 0.000 0.000 1.454) 1.454 5.594 ( 0.000 0.000 -1.384) 1.384 5.812 ( 0.000 0.000 1.078) 1.078 5.887 ( 0.000 0.000 -2.184) 2.184 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 8.891 0.000 9.667) 13.134 0.648 ( 14.803 0.000 15.454) 21.400 0.883 ( 8.140 0.000 12.450) 14.875 0.977 ( 8.318 0.000 -3.102) 8.877 1.109 ( 2.084 0.000 -12.302) 12.478 1.214 ( 5.212 0.000 2.194) 5.655 1.260 ( 3.260 0.000 -13.025) 13.426 1.368 ( -11.828 0.000 3.130) 12.235 1.584 ( 2.773 0.000 -3.622) 4.561 1.588 ( -6.705 0.000 -6.569) 9.387 1.654 ( -0.773 0.000 7.380) 7.421 1.788 ( 1.260 0.000 -0.715) 1.448 1.851 ( 2.918 0.000 3.015) 4.195 1.902 ( 2.997 0.000 1.650) 3.421 1.939 ( 9.165 0.000 -4.153) 10.062 1.990 ( 1.301 0.000 2.673) 2.973 2.022 ( 0.018 0.000 -4.080) 4.080 2.086 ( -0.910 0.000 -1.329) 1.611 2.137 ( 5.409 0.000 4.576) 7.085 2.305 ( 3.408 0.000 3.821) 5.120 2.313 ( -1.018 0.000 0.596) 1.180 2.441 ( 1.694 0.000 -2.029) 2.643 2.444 ( 1.467 0.000 -4.730) 4.953 2.474 ( -2.178 0.000 1.504) 2.647 2.570 ( -2.237 0.000 -2.614) 3.440 2.583 ( 0.403 0.000 -3.537) 3.560 2.620 ( 1.298 0.000 -1.601) 2.061 2.674 ( 4.249 0.000 -1.064) 4.380 2.824 ( -5.453 0.000 0.776) 5.508 2.864 ( 2.038 0.000 -1.688) 2.646 2.912 ( 0.357 0.000 5.963) 5.974 2.987 ( -0.518 0.000 3.587) 3.624 3.193 ( -9.116 0.000 3.674) 9.828 3.257 ( 6.352 0.000 -2.096) 6.689 3.546 ( -14.762 0.000 6.951) 16.317 3.832 ( -14.200 0.000 -5.686) 15.296 3.839 ( 0.258 0.000 0.588) 0.642 3.851 ( -0.098 0.000 1.194) 1.198 3.868 ( 0.765 0.000 -0.486) 0.906 3.911 ( -0.744 0.000 -1.220) 1.429 4.123 ( 0.531 0.000 0.102) 0.541 4.138 ( 0.516 0.000 -0.710) 0.877 4.162 ( -0.660 0.000 0.256) 0.708 4.178 ( -0.678 0.000 -0.513) 0.850 4.301 ( 0.328 0.000 1.540) 1.575 4.318 ( -0.271 0.000 1.378) 1.404 4.329 ( 2.163 0.000 0.160) 2.169 4.344 ( 1.845 0.000 -0.312) 1.872 4.360 ( 0.136 0.000 -1.143) 1.151 4.369 ( -0.175 0.000 -0.863) 0.881 4.444 ( -1.070 0.000 0.793) 1.332 4.482 ( -1.981 0.000 -0.822) 2.145 4.599 ( 1.646 0.000 -0.271) 1.668 4.617 ( -0.138 0.000 -1.031) 1.040 4.671 ( -3.569 0.000 3.517) 5.011 4.762 ( 2.712 0.000 1.344) 3.027 4.790 ( -4.318 0.000 -1.466) 4.560 4.848 ( 5.051 0.000 -2.744) 5.748 5.012 ( -4.148 0.000 1.482) 4.405 5.024 ( -5.303 0.000 1.397) 5.484 5.089 ( -2.090 0.000 0.128) 2.094 5.128 ( -0.280 0.000 -2.732) 2.746 5.212 ( -4.573 0.000 -0.261) 4.581 5.270 ( -5.886 0.000 -2.197) 6.283 5.361 ( 1.355 0.000 4.038) 4.259 5.412 ( -0.990 0.000 5.096) 5.191 5.519 ( 6.201 0.000 -3.106) 6.935 5.621 ( 2.848 0.000 -4.406) 5.246 5.708 ( 10.904 0.000 3.922) 11.588 5.815 ( 2.885 0.000 4.307) 5.184 5.837 ( 12.361 0.000 -2.448) 12.601 6.129 ( 4.693 0.000 -13.024) 13.844 ======================= Grid point 67 (24/63) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -13.312 0.000 -4.161) 13.947 0.724 ( 13.312 0.000 -4.161) 13.947 1.010 ( -16.278 0.000 7.886) 18.088 1.010 ( 16.278 0.000 7.886) 18.088 1.068 ( -7.628 0.000 -1.879) 7.856 1.068 ( 7.628 0.000 -1.879) 7.856 1.422 ( -7.427 0.000 -10.334) 12.726 1.422 ( 7.427 0.000 -10.334) 12.726 1.519 ( -11.047 0.000 0.243) 11.049 1.519 ( 11.047 0.000 0.243) 11.049 1.750 ( -6.524 0.000 6.419) 9.152 1.750 ( 6.524 0.000 6.419) 9.152 1.902 ( -1.670 0.000 4.508) 4.808 1.902 ( 1.670 0.000 4.508) 4.808 2.042 ( -1.862 0.000 1.956) 2.701 2.042 ( 1.862 0.000 1.956) 2.701 2.049 ( -2.532 0.000 -0.963) 2.709 2.049 ( 2.532 0.000 -0.963) 2.709 2.293 ( -2.944 0.000 -1.063) 3.130 2.293 ( 2.944 0.000 -1.063) 3.130 2.394 ( -4.006 0.000 2.257) 4.598 2.394 ( 4.006 0.000 2.257) 4.598 2.506 ( -3.112 0.000 -2.184) 3.802 2.506 ( 3.112 0.000 -2.184) 3.802 2.519 ( -3.807 0.000 -1.125) 3.969 2.519 ( 3.807 0.000 -1.125) 3.969 2.655 ( -2.678 0.000 -8.165) 8.593 2.655 ( 2.678 0.000 -8.165) 8.593 2.839 ( -3.943 0.000 0.875) 4.039 2.839 ( 3.943 0.000 0.875) 4.039 2.952 ( -2.853 0.000 -1.706) 3.325 2.952 ( 2.853 0.000 -1.706) 3.325 3.208 ( -10.797 0.000 9.627) 14.465 3.208 ( 10.797 0.000 9.627) 14.465 3.480 ( -14.141 0.000 -3.906) 14.671 3.480 ( 14.141 0.000 -3.906) 14.671 3.846 ( -0.293 0.000 0.937) 0.982 3.846 ( 0.293 0.000 0.937) 0.982 3.890 ( -1.061 0.000 -0.870) 1.372 3.890 ( 1.061 0.000 -0.870) 1.372 4.139 ( -0.736 0.000 -0.075) 0.740 4.139 ( 0.736 0.000 -0.075) 0.740 4.160 ( -0.752 0.000 -0.395) 0.850 4.160 ( 0.752 0.000 -0.395) 0.850 4.310 ( -0.426 0.000 1.446) 1.508 4.310 ( 0.426 0.000 1.446) 1.508 4.364 ( -0.229 0.000 -0.984) 1.011 4.364 ( 0.229 0.000 -0.984) 1.011 4.371 ( -0.855 0.000 -1.000) 1.316 4.371 ( 0.855 0.000 -1.000) 1.316 4.434 ( -1.436 0.000 1.130) 1.828 4.434 ( 1.436 0.000 1.130) 1.828 4.611 ( -0.449 0.000 0.799) 0.917 4.611 ( 0.449 0.000 0.799) 0.917 4.658 ( -3.724 0.000 0.255) 3.733 4.658 ( 3.724 0.000 0.255) 3.733 4.889 ( -4.442 0.000 -0.072) 4.443 4.889 ( 4.442 0.000 -0.072) 4.443 4.947 ( -1.419 0.000 0.890) 1.675 4.947 ( 1.419 0.000 0.890) 1.675 5.112 ( -2.630 0.000 -0.167) 2.636 5.112 ( 2.630 0.000 -0.167) 2.636 5.175 ( -2.834 0.000 -2.967) 4.102 5.175 ( 2.834 0.000 -2.967) 4.102 5.387 ( -1.099 0.000 5.144) 5.260 5.387 ( 1.099 0.000 5.144) 5.260 5.613 ( -2.691 0.000 -5.250) 5.899 5.613 ( 2.691 0.000 -5.250) 5.899 5.852 ( -1.188 0.000 5.388) 5.517 5.852 ( 1.188 0.000 5.388) 5.517 6.079 ( -7.383 0.000 -5.562) 9.244 6.079 ( 7.383 0.000 -5.562) 9.244 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 16.451 5.518) 17.352 0.520 ( 0.000 15.327 10.608) 18.640 0.921 ( 0.000 10.165 -5.151) 11.396 1.001 ( 0.000 18.757 13.203) 22.937 1.098 ( 0.000 -5.298 -19.535) 20.241 1.103 ( 0.000 15.799 13.904) 21.046 1.399 ( 0.000 4.001 -8.498) 9.392 1.552 ( 0.000 -2.161 1.906) 2.882 1.576 ( 0.000 -2.255 -2.584) 3.429 1.635 ( 0.000 -0.590 4.424) 4.463 1.710 ( 0.000 4.002 -0.954) 4.114 1.724 ( 0.000 2.773 2.907) 4.018 1.809 ( 0.000 2.270 -3.953) 4.559 1.840 ( 0.000 6.667 -2.660) 7.178 2.000 ( 0.000 3.269 -1.637) 3.656 2.056 ( 0.000 12.923 1.378) 12.996 2.108 ( 0.000 9.610 0.586) 9.628 2.135 ( 0.000 3.138 -3.583) 4.763 2.253 ( 0.000 10.249 4.535) 11.207 2.341 ( 0.000 2.268 3.883) 4.497 2.357 ( 0.000 8.971 -1.176) 9.047 2.369 ( 0.000 -0.790 -3.371) 3.462 2.505 ( 0.000 0.991 -0.878) 1.324 2.542 ( 0.000 1.707 -2.207) 2.790 2.547 ( 0.000 1.462 -1.699) 2.241 2.576 ( 0.000 0.605 -0.102) 0.614 2.604 ( 0.000 2.029 0.405) 2.069 2.653 ( 0.000 3.935 -4.807) 6.212 2.785 ( 0.000 -1.878 5.345) 5.665 2.850 ( 0.000 -3.073 4.357) 5.332 2.896 ( 0.000 -1.563 2.689) 3.110 3.026 ( 0.000 0.774 8.168) 8.205 3.108 ( 0.000 -5.501 -4.396) 7.042 3.191 ( 0.000 -8.752 2.951) 9.236 3.701 ( 0.000 -1.686 5.813) 6.053 3.895 ( 0.000 2.923 -0.273) 2.935 3.907 ( 0.000 4.546 0.859) 4.626 3.915 ( 0.000 3.683 -0.567) 3.727 3.983 ( 0.000 -1.619 -4.503) 4.786 3.990 ( 0.000 5.694 -1.373) 5.858 4.167 ( 0.000 4.290 0.176) 4.293 4.182 ( 0.000 4.645 -0.768) 4.708 4.234 ( 0.000 5.140 0.465) 5.161 4.244 ( 0.000 1.466 0.061) 1.467 4.272 ( 0.000 -0.526 1.302) 1.405 4.303 ( 0.000 -0.714 -0.427) 0.832 4.345 ( 0.000 3.262 -0.039) 3.262 4.358 ( 0.000 -1.489 -0.648) 1.624 4.398 ( 0.000 3.259 -0.181) 3.264 4.431 ( 0.000 1.036 -1.536) 1.852 4.487 ( 0.000 2.109 0.317) 2.133 4.527 ( 0.000 -0.938 -1.244) 1.558 4.579 ( 0.000 2.767 -3.124) 4.173 4.595 ( 0.000 1.217 -3.437) 3.646 4.736 ( 0.000 0.772 2.273) 2.401 4.737 ( 0.000 -1.382 1.475) 2.021 4.851 ( 0.000 0.663 -0.337) 0.744 4.956 ( 0.000 8.821 -8.571) 12.299 5.093 ( 0.000 -3.547 2.560) 4.374 5.110 ( 0.000 2.312 -1.724) 2.884 5.162 ( 0.000 -2.122 0.203) 2.132 5.170 ( 0.000 -0.472 -0.234) 0.527 5.289 ( 0.000 -2.512 1.470) 2.910 5.309 ( 0.000 -0.862 -0.072) 0.865 5.325 ( 0.000 -0.073 -0.154) 0.170 5.440 ( 0.000 -1.318 1.723) 2.170 5.450 ( 0.000 -2.704 -1.437) 3.062 5.456 ( 0.000 -2.723 -2.138) 3.462 5.491 ( 0.000 -1.585 1.244) 2.015 5.569 ( 0.000 -2.571 -1.326) 2.893 5.734 ( 0.000 -7.223 0.561) 7.245 5.765 ( 0.000 -7.137 -0.106) 7.138 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 11.407 12.725 1.811) 17.185 0.719 ( 7.234 10.665 10.819) 16.826 1.018 ( 2.315 3.038 -2.112) 4.364 1.037 ( -0.528 3.217 -11.922) 12.360 1.156 ( 4.131 12.102 3.179) 13.176 1.289 ( 6.232 7.301 2.866) 10.018 1.355 ( 3.726 4.840 -7.147) 9.401 1.398 ( -4.677 6.844 0.980) 8.347 1.498 ( 0.057 1.054 2.832) 3.022 1.654 ( 2.826 -0.628 7.694) 8.220 1.765 ( -0.125 7.022 -2.591) 7.486 1.797 ( 2.966 2.448 0.660) 3.902 1.889 ( 4.468 -0.188 -0.976) 4.577 1.913 ( 5.419 7.338 -2.104) 9.361 2.013 ( 0.740 6.763 -1.222) 6.912 2.076 ( 2.355 9.176 0.735) 9.502 2.107 ( -0.242 6.013 0.730) 6.062 2.140 ( 1.807 3.999 -3.631) 5.696 2.234 ( -1.004 9.178 4.371) 10.215 2.294 ( -0.315 2.421 3.275) 4.085 2.369 ( 0.503 -0.272 -2.998) 3.052 2.438 ( 1.961 5.606 -1.910) 6.238 2.462 ( -1.628 0.203 -1.859) 2.479 2.519 ( -3.227 0.354 -0.812) 3.347 2.548 ( 0.161 2.860 0.050) 2.865 2.625 ( 2.349 1.370 0.591) 2.782 2.650 ( 3.510 3.223 -3.986) 6.213 2.700 ( 3.618 1.741 -2.330) 4.642 2.797 ( 0.608 -3.106 1.634) 3.562 2.830 ( -2.167 0.032 -2.441) 3.264 2.918 ( 2.244 0.443 6.020) 6.440 2.962 ( -2.168 -1.118 3.410) 4.193 3.117 ( -4.485 -5.090 3.008) 7.421 3.205 ( 6.650 -4.807 -1.929) 8.429 3.532 ( -14.342 -0.845 6.545) 15.788 3.801 ( -14.392 -2.891 -5.345) 15.622 3.895 ( -0.373 4.003 0.492) 4.050 3.901 ( -0.278 4.436 1.384) 4.655 3.923 ( 0.556 4.533 -0.593) 4.606 3.967 ( -1.389 4.959 -1.243) 5.297 4.176 ( 0.771 4.455 0.279) 4.530 4.191 ( 0.663 4.905 -0.631) 4.989 4.222 ( -0.824 5.260 0.468) 5.345 4.238 ( -0.851 3.589 0.024) 3.688 4.287 ( 1.465 -2.462 0.111) 2.867 4.298 ( -0.067 -0.713 -0.253) 0.760 4.326 ( -1.459 -0.948 0.110) 1.744 4.355 ( -0.086 1.390 -1.206) 1.842 4.398 ( -0.128 2.867 -0.011) 2.870 4.409 ( 0.550 2.950 -0.364) 3.023 4.489 ( -0.983 2.237 0.381) 2.473 4.504 ( -1.421 1.676 -0.229) 2.209 4.602 ( 1.191 0.497 -0.798) 1.517 4.615 ( 0.144 -0.151 -1.266) 1.283 4.717 ( -3.903 3.030 1.484) 5.159 4.745 ( -0.255 -1.841 0.765) 2.009 4.797 ( -2.083 1.590 0.620) 2.693 4.876 ( -1.077 3.787 -2.536) 4.683 4.990 ( -4.821 -2.871 1.980) 5.950 5.005 ( -4.690 -1.575 0.773) 5.007 5.082 ( -1.841 -0.715 0.234) 1.989 5.125 ( -0.311 -0.321 -2.743) 2.779 5.210 ( -4.344 -0.250 -0.074) 4.352 5.252 ( -5.271 -1.733 -1.590) 5.772 5.350 ( 1.208 -0.976 3.090) 3.459 5.396 ( -0.838 -1.340 4.054) 4.351 5.488 ( 5.687 -2.924 -2.481) 6.859 5.587 ( 1.597 -3.372 -4.155) 5.584 5.670 ( 10.469 -3.661 3.795) 11.723 5.751 ( 3.909 -5.680 3.818) 7.882 5.794 ( 11.783 -4.006 -2.121) 12.624 5.996 ( 7.439 -10.262 -8.352) 15.179 ======================= Grid point 72 (27/63) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -5.288 6.763 -3.038) 9.107 0.782 ( 5.288 6.763 -3.038) 9.107 1.025 ( -9.359 4.542 1.749) 10.549 1.025 ( 9.359 4.542 1.749) 10.549 1.166 ( -6.688 6.726 1.700) 9.636 1.166 ( 6.688 6.726 1.700) 9.636 1.412 ( -1.896 3.013 -6.490) 7.402 1.412 ( 1.896 3.013 -6.490) 7.402 1.704 ( -7.048 11.573 0.641) 13.566 1.704 ( 7.048 11.573 0.641) 13.566 1.772 ( -4.336 2.460 4.511) 6.723 1.772 ( 4.336 2.460 4.511) 6.723 1.995 ( -3.953 3.519 0.855) 5.361 1.995 ( 3.953 3.519 0.855) 5.361 2.013 ( -4.232 7.416 1.547) 8.677 2.013 ( 4.232 7.416 1.547) 8.677 2.164 ( -2.457 6.709 1.062) 7.223 2.164 ( 2.457 6.709 1.062) 7.223 2.284 ( -4.240 0.402 1.337) 4.464 2.284 ( 4.240 0.402 1.337) 4.464 2.388 ( -0.709 0.496 -0.270) 0.907 2.388 ( 0.709 0.496 -0.270) 0.907 2.473 ( -1.415 -1.562 -4.345) 4.829 2.473 ( 1.415 -1.562 -4.345) 4.829 2.607 ( -3.063 6.262 -0.086) 6.971 2.607 ( 3.063 6.262 -0.086) 6.971 2.713 ( -1.897 4.328 -4.877) 6.791 2.713 ( 1.897 4.328 -4.877) 6.791 2.837 ( -4.001 0.406 0.413) 4.043 2.837 ( 4.001 0.406 0.413) 4.043 2.916 ( -3.193 -2.750 -0.862) 4.302 2.916 ( 3.193 -2.750 -0.862) 4.302 3.184 ( -12.320 -1.948 8.553) 15.124 3.184 ( 12.320 -1.948 8.553) 15.124 3.437 ( -14.679 -3.959 -3.787) 15.668 3.437 ( 14.679 -3.959 -3.787) 15.668 3.896 ( -0.214 4.286 1.031) 4.413 3.896 ( 0.214 4.286 1.031) 4.413 3.941 ( -0.978 4.554 -0.803) 4.726 3.941 ( 0.978 4.554 -0.803) 4.726 4.196 ( -0.770 4.914 0.196) 4.978 4.196 ( 0.770 4.914 0.196) 4.978 4.216 ( -0.802 4.558 -0.103) 4.629 4.216 ( 0.802 4.558 -0.103) 4.629 4.303 ( -0.465 -1.339 0.135) 1.424 4.303 ( 0.465 -1.339 0.135) 1.424 4.330 ( -1.715 -1.026 -0.880) 2.184 4.330 ( 1.715 -1.026 -0.880) 2.184 4.419 ( -0.909 2.847 -0.761) 3.084 4.419 ( 0.909 2.847 -0.761) 3.084 4.473 ( -0.806 2.636 0.907) 2.902 4.473 ( 0.806 2.636 0.907) 2.902 4.626 ( -1.316 1.721 0.332) 2.192 4.626 ( 1.316 1.721 0.332) 2.192 4.653 ( -2.678 0.195 0.607) 2.753 4.653 ( 2.678 0.195 0.607) 2.753 4.874 ( -4.034 -1.492 0.127) 4.303 4.874 ( 4.034 -1.492 0.127) 4.303 4.928 ( -1.575 -1.910 0.692) 2.571 4.928 ( 1.575 -1.910 0.692) 2.571 5.104 ( -2.528 -0.693 -0.116) 2.624 5.104 ( 2.528 -0.693 -0.116) 2.624 5.171 ( -2.122 -0.415 -2.199) 3.084 5.171 ( 2.122 -0.415 -2.199) 3.084 5.374 ( -1.033 -1.125 4.098) 4.374 5.374 ( 1.033 -1.125 4.098) 4.374 5.572 ( -2.301 -3.939 -4.441) 6.367 5.572 ( 2.301 -3.939 -4.441) 6.367 5.806 ( -0.846 -4.278 4.755) 6.451 5.806 ( 0.846 -4.278 4.755) 6.451 6.005 ( -5.435 -6.582 -4.710) 9.749 6.005 ( 5.435 -6.582 -4.710) 9.749 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 16.308 4.623) 16.950 0.864 ( 0.000 24.686 -7.049) 25.672 1.075 ( 0.000 3.973 -15.114) 15.628 1.102 ( 0.000 8.811 -4.286) 9.799 1.268 ( 0.000 14.891 3.189) 15.229 1.459 ( 0.000 3.508 -3.724) 5.116 1.507 ( 0.000 4.741 1.838) 5.085 1.564 ( 0.000 1.842 0.768) 1.996 1.646 ( 0.000 22.990 13.343) 26.581 1.672 ( 0.000 4.488 4.890) 6.637 1.787 ( 0.000 2.631 9.510) 9.867 1.828 ( 0.000 6.456 4.336) 7.777 1.905 ( 0.000 7.521 -3.196) 8.172 1.971 ( 0.000 5.343 0.729) 5.392 2.122 ( 0.000 7.086 -6.571) 9.664 2.160 ( 0.000 -0.188 -7.893) 7.895 2.265 ( 0.000 7.318 1.886) 7.557 2.322 ( 0.000 10.152 -1.527) 10.266 2.397 ( 0.000 3.968 1.656) 4.300 2.434 ( 0.000 9.632 3.221) 10.156 2.490 ( 0.000 10.848 1.874) 11.009 2.522 ( 0.000 -0.496 1.389) 1.475 2.531 ( 0.000 -1.692 1.046) 1.989 2.540 ( 0.000 7.861 -7.465) 10.841 2.584 ( 0.000 1.890 -2.734) 3.323 2.605 ( 0.000 2.335 -0.835) 2.480 2.706 ( 0.000 6.032 0.335) 6.042 2.712 ( 0.000 1.291 -2.462) 2.779 2.784 ( 0.000 0.985 0.142) 0.995 2.799 ( 0.000 2.040 3.983) 4.475 2.889 ( 0.000 2.303 -2.665) 3.523 2.965 ( 0.000 -8.388 -2.349) 8.710 3.085 ( 0.000 4.929 4.602) 6.743 3.101 ( 0.000 -1.709 2.974) 3.430 3.688 ( 0.000 0.518 4.622) 4.651 3.889 ( 0.000 -3.925 -4.241) 5.779 3.976 ( 0.000 2.668 0.150) 2.673 3.988 ( 0.000 3.464 -0.580) 3.512 4.026 ( 0.000 5.059 1.797) 5.369 4.105 ( 0.000 5.097 -1.669) 5.363 4.206 ( 0.000 -1.377 0.303) 1.410 4.206 ( 0.000 -2.438 0.380) 2.467 4.270 ( 0.000 0.446 0.184) 0.483 4.299 ( 0.000 -0.037 -1.188) 1.189 4.310 ( 0.000 4.562 -0.131) 4.563 4.323 ( 0.000 1.419 -0.939) 1.701 4.372 ( 0.000 6.304 0.772) 6.351 4.418 ( 0.000 4.612 -2.119) 5.075 4.469 ( 0.000 3.538 1.054) 3.691 4.476 ( 0.000 -0.470 0.089) 0.479 4.491 ( 0.000 -1.367 -0.836) 1.602 4.503 ( 0.000 2.791 0.154) 2.795 4.590 ( 0.000 -0.541 -0.087) 0.548 4.638 ( 0.000 2.089 -2.506) 3.263 4.706 ( 0.000 -1.510 1.374) 2.042 4.727 ( 0.000 -1.846 0.834) 2.026 4.911 ( 0.000 3.717 2.049) 4.244 4.980 ( 0.000 -6.567 5.064) 8.293 4.984 ( 0.000 -3.635 -1.119) 3.803 5.101 ( 0.000 -3.443 1.235) 3.658 5.119 ( 0.000 -1.591 -1.389) 2.112 5.169 ( 0.000 -0.445 -1.256) 1.332 5.251 ( 0.000 -0.973 0.395) 1.050 5.285 ( 0.000 -1.792 -0.275) 1.813 5.327 ( 0.000 0.302 -1.257) 1.293 5.334 ( 0.000 -5.773 -2.085) 6.138 5.408 ( 0.000 -1.818 1.421) 2.307 5.427 ( 0.000 -1.374 -0.125) 1.379 5.449 ( 0.000 -2.778 0.841) 2.902 5.506 ( 0.000 -3.361 -1.120) 3.543 5.576 ( 0.000 -7.354 1.031) 7.426 5.682 ( 0.000 -2.181 -4.528) 5.026 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 6.375 20.618 -3.170) 21.812 0.997 ( 1.063 15.668 1.915) 15.820 1.072 ( 4.764 7.928 -7.598) 11.969 1.232 ( -0.672 11.379 -0.429) 11.407 1.318 ( 6.366 6.380 -1.661) 9.164 1.374 ( -1.894 5.931 -0.794) 6.277 1.492 ( 0.256 7.122 0.798) 7.171 1.544 ( -1.312 6.836 -5.157) 8.663 1.666 ( 1.021 3.115 7.651) 8.324 1.770 ( 9.532 18.759 9.978) 23.288 1.833 ( 2.925 3.233 5.507) 7.024 1.868 ( 3.622 4.373 2.748) 6.309 1.934 ( 0.975 4.158 -0.632) 4.317 2.060 ( 7.395 5.126 -1.037) 9.057 2.137 ( 1.438 5.987 -5.198) 8.058 2.176 ( 1.473 1.162 -5.796) 6.092 2.261 ( -1.298 6.134 0.545) 6.293 2.300 ( -1.132 8.281 -1.541) 8.499 2.398 ( -1.389 2.866 1.014) 3.342 2.411 ( -0.776 8.280 0.304) 8.322 2.438 ( -0.890 10.880 1.224) 10.985 2.485 ( -2.138 3.596 -0.009) 4.183 2.492 ( -2.518 3.009 -3.089) 4.994 2.581 ( 0.990 3.668 -0.252) 3.807 2.631 ( 1.867 5.153 -0.752) 5.532 2.658 ( 3.121 1.504 2.394) 4.211 2.722 ( 3.503 5.015 -0.644) 6.150 2.728 ( 1.975 2.177 0.073) 2.940 2.787 ( -0.266 1.357 -1.317) 1.910 2.859 ( 1.149 3.329 -3.316) 4.837 2.905 ( 5.600 -0.633 3.345) 6.553 2.987 ( -0.744 0.854 1.051) 1.545 3.038 ( -5.366 -1.811 2.795) 6.315 3.107 ( 4.637 -2.919 -0.575) 5.509 3.531 ( -13.828 0.974 4.398) 14.543 3.725 ( -14.910 -4.683 -4.065) 16.148 3.975 ( 0.323 3.763 0.457) 3.804 3.997 ( -0.182 4.378 0.234) 4.388 4.014 ( 0.623 4.473 0.641) 4.562 4.074 ( -1.961 5.185 -1.273) 5.688 4.215 ( 0.799 -1.612 0.467) 1.859 4.223 ( 1.309 -3.032 0.140) 3.306 4.261 ( -0.798 -1.151 0.556) 1.506 4.283 ( -1.186 -1.449 -0.546) 1.950 4.314 ( 0.030 4.752 -0.507) 4.779 4.330 ( 1.327 4.732 -0.674) 4.961 4.346 ( -1.532 5.502 0.886) 5.779 4.406 ( -1.399 3.666 -2.186) 4.492 4.434 ( -1.071 0.894 0.405) 1.452 4.474 ( -0.565 2.514 -0.934) 2.741 4.493 ( 0.126 -0.488 1.258) 1.355 4.523 ( -0.356 -0.119 -0.054) 0.379 4.610 ( 1.840 0.629 -0.265) 1.962 4.638 ( 0.880 1.820 -1.562) 2.554 4.701 ( -1.741 -1.615 1.494) 2.806 4.726 ( 1.272 -0.937 0.248) 1.600 4.873 ( -3.378 5.265 2.425) 6.709 4.893 ( -3.620 -6.277 1.671) 7.436 4.941 ( -3.654 -4.212 -0.461) 5.595 4.970 ( -7.893 2.162 -0.510) 8.199 5.066 ( -1.271 -0.765 0.171) 1.493 5.112 ( -1.113 -1.177 -2.378) 2.877 5.204 ( -3.208 -0.321 0.652) 3.289 5.216 ( -3.822 -1.149 -0.035) 3.991 5.335 ( 0.730 -0.260 0.449) 0.896 5.365 ( 0.206 -2.005 0.744) 2.149 5.423 ( 3.277 -3.005 -0.361) 4.461 5.490 ( -0.247 -6.132 -1.790) 6.392 5.582 ( 8.980 -4.517 2.593) 10.382 5.639 ( 6.212 -5.038 2.784) 8.469 5.703 ( 10.377 -4.664 -1.685) 11.501 5.819 ( 6.540 -7.084 -5.328) 11.015 ======================= Grid point 77 (30/63) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -1.816 13.732 -1.008) 13.888 0.991 ( 1.816 13.732 -1.008) 13.888 1.200 ( -9.024 12.263 -0.052) 15.225 1.200 ( 9.024 12.263 -0.052) 15.225 1.325 ( -4.466 9.868 -0.128) 10.832 1.325 ( 4.466 9.868 -0.128) 10.832 1.524 ( -2.479 7.649 -2.621) 8.457 1.524 ( 2.479 7.649 -2.621) 8.457 1.775 ( -4.776 1.269 5.058) 7.071 1.775 ( 4.776 1.269 5.058) 7.071 1.920 ( -2.404 5.112 -0.181) 5.652 1.920 ( 2.404 5.112 -0.181) 5.652 2.079 ( -8.884 8.300 2.705) 12.455 2.079 ( 8.884 8.300 2.705) 12.455 2.217 ( -2.635 5.078 -3.839) 6.889 2.217 ( 2.635 5.078 -3.839) 6.889 2.242 ( -5.698 3.110 -2.830) 7.082 2.242 ( 5.698 3.110 -2.830) 7.082 2.373 ( -1.532 3.428 -1.876) 4.198 2.373 ( 1.532 3.428 -1.876) 4.198 2.451 ( -1.562 10.842 3.090) 11.381 2.451 ( 1.562 10.842 3.090) 11.381 2.520 ( -3.657 7.669 0.223) 8.499 2.520 ( 3.657 7.669 0.223) 8.499 2.694 ( -2.384 2.451 0.075) 3.420 2.694 ( 2.384 2.451 0.075) 3.420 2.772 ( -1.157 0.583 -1.660) 2.105 2.772 ( 1.157 0.583 -1.660) 2.105 2.862 ( -8.736 0.968 2.595) 9.164 2.862 ( 8.736 0.968 2.595) 9.164 2.910 ( -3.734 4.084 -0.454) 5.552 2.910 ( 3.734 4.084 -0.454) 5.552 3.159 ( -15.665 0.056 3.816) 16.123 3.159 ( 15.665 0.056 3.816) 16.123 3.340 ( -15.706 -5.516 -3.574) 17.026 3.340 ( 15.706 -5.516 -3.574) 17.026 3.987 ( -0.558 4.450 0.815) 4.558 3.987 ( 0.558 4.450 0.815) 4.558 4.039 ( -1.251 4.759 -0.449) 4.941 4.039 ( 1.251 4.759 -0.449) 4.941 4.237 ( -0.965 -1.802 0.433) 2.089 4.237 ( 0.965 -1.802 0.433) 2.089 4.256 ( -1.112 -2.412 -0.105) 2.658 4.256 ( 1.112 -2.412 -0.105) 2.658 4.321 ( -0.596 5.290 0.714) 5.371 4.321 ( 0.596 5.290 0.714) 5.371 4.370 ( -1.895 4.823 -1.362) 5.358 4.370 ( 1.895 4.823 -1.362) 5.358 4.444 ( -1.818 -0.372 -0.650) 1.966 4.444 ( 1.818 -0.372 -0.650) 1.966 4.496 ( -1.037 -0.389 0.587) 1.253 4.496 ( 1.037 -0.389 0.587) 1.253 4.652 ( -1.869 0.643 0.984) 2.208 4.652 ( 1.869 0.643 0.984) 2.208 4.708 ( -3.734 3.884 -1.149) 5.509 4.708 ( 3.734 3.884 -1.149) 5.509 4.844 ( -1.537 -0.941 0.924) 2.025 4.844 ( 1.537 -0.941 0.924) 2.025 4.876 ( -0.525 -2.837 0.260) 2.897 4.876 ( 0.525 -2.837 0.260) 2.897 5.089 ( -1.839 -0.723 -0.164) 1.983 5.089 ( 1.839 -0.723 -0.164) 1.983 5.162 ( -0.662 -0.377 -0.331) 0.831 5.162 ( 0.662 -0.377 -0.331) 0.831 5.353 ( -0.746 -0.918 1.409) 1.840 5.353 ( 0.746 -0.918 1.409) 1.840 5.476 ( -1.251 -5.182 -2.158) 5.751 5.476 ( 1.251 -5.182 -2.158) 5.751 5.708 ( -1.207 -5.172 3.456) 6.337 5.708 ( 1.207 -5.172 3.456) 6.337 5.865 ( -2.879 -6.846 -3.553) 8.233 5.865 ( 2.879 -6.846 -3.553) 8.233 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 14.742 1.016) 14.777 1.246 ( 0.000 12.129 -3.084) 12.515 1.271 ( 0.000 10.378 -3.240) 10.872 1.350 ( 0.000 22.148 -6.584) 23.106 1.563 ( 0.000 6.880 -0.090) 6.880 1.569 ( 0.000 13.818 -0.490) 13.826 1.592 ( 0.000 6.841 2.055) 7.143 1.635 ( 0.000 4.727 5.936) 7.588 1.795 ( 0.000 6.920 4.533) 8.272 1.832 ( 0.000 3.065 5.071) 5.926 1.949 ( 0.000 5.243 4.816) 7.119 1.992 ( 0.000 10.546 -1.016) 10.595 2.063 ( 0.000 4.536 1.191) 4.690 2.101 ( 0.000 6.284 -0.911) 6.350 2.169 ( 0.000 3.777 -6.806) 7.784 2.211 ( 0.000 1.833 -5.377) 5.681 2.391 ( 0.000 5.763 1.614) 5.985 2.401 ( 0.000 -4.649 0.114) 4.650 2.460 ( 0.000 1.823 4.120) 4.505 2.471 ( 0.000 -1.043 0.760) 1.290 2.473 ( 0.000 -3.728 1.708) 4.101 2.517 ( 0.000 -0.264 0.657) 0.708 2.616 ( 0.000 3.184 -2.458) 4.022 2.636 ( 0.000 -1.476 -1.878) 2.388 2.655 ( 0.000 0.505 -4.435) 4.463 2.745 ( 0.000 2.579 -1.437) 2.953 2.781 ( 0.000 6.422 1.398) 6.572 2.818 ( 0.000 6.112 -0.378) 6.124 2.822 ( 0.000 13.513 -1.280) 13.574 2.856 ( 0.000 2.191 4.973) 5.434 2.963 ( 0.000 11.092 -3.799) 11.725 3.012 ( 0.000 8.482 -5.577) 10.151 3.089 ( 0.000 -0.493 7.181) 7.197 3.200 ( 0.000 6.372 1.900) 6.649 3.721 ( 0.000 2.599 1.196) 2.861 3.794 ( 0.000 -5.259 -1.844) 5.573 4.004 ( 0.000 -0.145 0.423) 0.447 4.035 ( 0.000 0.928 -1.036) 1.390 4.094 ( 0.000 1.280 1.279) 1.809 4.136 ( 0.000 -0.650 -0.380) 0.753 4.192 ( 0.000 1.281 0.424) 1.349 4.216 ( 0.000 0.937 -0.586) 1.106 4.230 ( 0.000 -1.175 0.151) 1.185 4.256 ( 0.000 -1.896 -0.814) 2.063 4.394 ( 0.000 3.484 -1.173) 3.676 4.413 ( 0.000 1.242 -0.760) 1.456 4.430 ( 0.000 1.336 -0.068) 1.338 4.444 ( 0.000 -1.758 -0.635) 1.869 4.495 ( 0.000 4.618 0.390) 4.634 4.507 ( 0.000 1.839 -0.908) 2.051 4.538 ( 0.000 3.346 1.019) 3.497 4.558 ( 0.000 0.552 -0.231) 0.599 4.606 ( 0.000 3.393 1.845) 3.862 4.644 ( 0.000 -1.455 0.306) 1.487 4.689 ( 0.000 0.098 0.435) 0.445 4.694 ( 0.000 -2.298 0.206) 2.307 4.781 ( 0.000 -7.279 2.982) 7.866 4.870 ( 0.000 -6.006 -1.052) 6.097 5.028 ( 0.000 2.568 1.063) 2.779 5.050 ( 0.000 -0.881 1.115) 1.421 5.075 ( 0.000 -2.649 -0.849) 2.782 5.125 ( 0.000 -3.754 -1.519) 4.049 5.244 ( 0.000 -0.411 -0.714) 0.824 5.246 ( 0.000 -1.140 -0.882) 1.441 5.291 ( 0.000 0.431 0.738) 0.855 5.329 ( 0.000 -0.517 -1.214) 1.320 5.371 ( 0.000 -1.855 2.003) 2.730 5.378 ( 0.000 -3.144 2.881) 4.264 5.403 ( 0.000 -1.022 -0.467) 1.124 5.446 ( 0.000 -2.574 -0.191) 2.581 5.495 ( 0.000 -1.217 0.725) 1.417 5.641 ( 0.000 -2.574 -5.006) 5.629 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 1.559 14.115 -2.048) 14.347 1.303 ( 6.925 14.883 1.688) 16.501 1.372 ( -2.318 16.886 -2.965) 17.300 1.439 ( 5.637 10.983 -4.148) 13.024 1.467 ( 3.753 9.970 2.292) 10.897 1.536 ( 2.037 9.303 0.206) 9.526 1.650 ( 2.059 8.619 2.899) 9.324 1.704 ( 2.470 8.637 -0.379) 8.991 1.775 ( -1.773 7.468 4.725) 9.014 1.857 ( 0.925 3.096 3.763) 4.960 1.958 ( 0.866 4.184 3.714) 5.661 1.987 ( -0.517 4.368 -1.896) 4.790 2.114 ( 6.019 7.034 -0.758) 9.288 2.137 ( 3.350 3.033 -1.411) 4.735 2.213 ( 2.822 3.631 -5.017) 6.805 2.219 ( 1.866 2.307 -3.478) 4.572 2.284 ( -5.129 -4.004 -1.229) 6.622 2.392 ( -1.253 4.528 0.130) 4.700 2.424 ( -2.248 0.415 -3.373) 4.074 2.465 ( -2.661 1.141 -0.534) 2.944 2.532 ( 4.560 -2.319 1.756) 5.409 2.554 ( 3.529 1.880 6.448) 7.588 2.617 ( 2.242 1.608 -1.388) 3.088 2.670 ( 1.536 2.058 2.351) 3.482 2.707 ( -0.602 3.702 0.948) 3.868 2.754 ( 2.493 1.653 -1.514) 3.353 2.802 ( 0.691 1.407 -2.033) 2.567 2.843 ( 3.098 10.410 2.106) 11.064 2.871 ( 3.780 10.684 1.589) 11.443 2.906 ( 3.925 2.979 -2.526) 5.537 2.961 ( 0.250 7.322 -0.639) 7.355 3.027 ( 1.511 6.716 -3.409) 7.682 3.044 ( -2.070 2.359 4.393) 5.399 3.153 ( -3.858 5.792 0.526) 6.979 3.567 ( -13.737 2.141 0.798) 13.925 3.626 ( -14.862 -4.773 -1.537) 15.685 4.024 ( 1.337 0.573 -0.044) 1.455 4.046 ( 0.717 0.425 -0.884) 1.215 4.082 ( -0.198 1.858 1.487) 2.388 4.135 ( -0.678 0.006 -0.978) 1.190 4.185 ( -0.637 0.010 0.408) 0.757 4.196 ( -0.137 1.137 -0.219) 1.166 4.211 ( -0.879 -2.558 0.664) 2.785 4.244 ( -0.900 -1.376 -0.842) 1.847 4.393 ( -1.497 -0.725 0.341) 1.698 4.399 ( 0.638 2.869 -0.440) 2.972 4.417 ( -2.592 -0.143 0.145) 2.600 4.442 ( 1.160 4.111 -0.794) 4.345 4.455 ( -1.096 -0.759 0.202) 1.348 4.506 ( -1.596 2.106 -1.657) 3.120 4.514 ( -1.711 2.619 1.432) 3.441 4.540 ( -1.710 2.222 -0.176) 2.809 4.621 ( 0.547 -0.244 0.719) 0.936 4.636 ( 0.753 -0.396 0.640) 1.065 4.706 ( 0.327 -0.843 1.142) 1.457 4.727 ( 2.198 1.954 0.786) 3.044 4.767 ( 2.223 -4.579 0.649) 5.132 4.824 ( -3.115 -5.241 -1.526) 6.285 4.960 ( -5.180 1.984 0.898) 5.619 4.992 ( -4.872 0.080 -0.341) 4.885 5.056 ( 0.370 -0.011 0.008) 0.370 5.079 ( -1.066 -2.035 -0.951) 2.486 5.200 ( -3.007 0.001 -0.100) 3.008 5.210 ( -3.119 -0.512 -0.582) 3.214 5.319 ( 1.458 -1.583 0.249) 2.166 5.337 ( 0.022 0.207 -0.058) 0.216 5.384 ( 1.499 -2.537 1.083) 3.139 5.391 ( 0.287 -1.720 0.894) 1.960 5.508 ( 6.853 -3.002 1.395) 7.610 5.557 ( 6.293 -3.229 1.798) 7.298 5.627 ( 8.394 -2.905 -1.565) 9.019 5.709 ( 4.178 -4.650 -4.070) 7.459 ======================= Grid point 82 (33/63) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -2.025 14.881 1.173) 15.064 1.282 ( 2.025 14.881 1.173) 15.064 1.450 ( -5.634 12.023 -0.014) 13.278 1.450 ( 5.634 12.023 -0.014) 13.278 1.552 ( -2.914 12.547 -1.169) 12.934 1.552 ( 2.914 12.547 -1.169) 12.934 1.696 ( -2.630 9.516 0.329) 9.878 1.696 ( 2.630 9.516 0.329) 9.878 1.824 ( -3.926 4.032 3.596) 6.679 1.824 ( 3.926 4.032 3.596) 6.679 1.974 ( -0.543 2.045 0.821) 2.270 1.974 ( 0.543 2.045 0.821) 2.270 2.192 ( -1.167 0.264 -5.805) 5.927 2.192 ( 1.167 0.264 -5.805) 5.927 2.260 ( -1.008 3.155 -1.682) 3.715 2.260 ( 1.008 3.155 -1.682) 3.715 2.320 ( -4.792 3.722 -2.000) 6.389 2.320 ( 4.792 3.722 -2.000) 6.389 2.406 ( -2.073 1.517 -1.125) 2.805 2.406 ( 2.073 1.517 -1.125) 2.805 2.619 ( -0.720 1.940 3.528) 4.090 2.619 ( 0.720 1.940 3.528) 4.090 2.655 ( -2.246 1.637 1.590) 3.202 2.655 ( 2.246 1.637 1.590) 3.202 2.763 ( -4.944 -0.784 1.666) 5.276 2.763 ( 4.944 -0.784 1.666) 5.276 2.829 ( -2.768 10.184 1.140) 10.615 2.829 ( 2.768 10.184 1.140) 10.615 2.932 ( -2.694 8.256 1.807) 8.870 2.932 ( 2.694 8.256 1.807) 8.870 3.017 ( -6.028 7.047 -1.173) 9.347 3.017 ( 6.028 7.047 -1.173) 9.347 3.188 ( -15.818 2.319 -0.381) 15.991 3.188 ( 15.818 2.319 -0.381) 15.991 3.243 ( -14.905 -3.161 -2.106) 15.382 3.243 ( 14.905 -3.161 -2.106) 15.382 4.047 ( -0.620 0.951 -0.481) 1.233 4.047 ( 0.620 0.951 -0.481) 1.233 4.104 ( -1.571 1.226 0.461) 2.045 4.104 ( 1.571 1.226 0.461) 2.045 4.190 ( -0.669 -1.853 0.430) 2.016 4.190 ( 0.669 -1.853 0.430) 2.016 4.220 ( -1.231 -0.376 -0.394) 1.346 4.220 ( 1.231 -0.376 -0.394) 1.346 4.373 ( -0.415 -0.978 0.614) 1.227 4.373 ( 0.415 -0.978 0.614) 1.227 4.433 ( -2.108 0.976 -0.557) 2.389 4.433 ( 2.108 0.976 -0.557) 2.389 4.464 ( -1.381 2.152 0.463) 2.598 4.464 ( 1.381 2.152 0.463) 2.598 4.499 ( -1.510 2.784 -0.290) 3.181 4.499 ( 1.510 2.784 -0.290) 3.181 4.636 ( -1.089 -1.364 1.057) 2.041 4.636 ( 1.089 -1.364 1.057) 2.041 4.734 ( -2.593 -1.559 -1.554) 3.401 4.734 ( 2.593 -1.559 -1.554) 3.401 4.842 ( -3.841 1.233 0.531) 4.069 4.842 ( 3.841 1.233 0.531) 4.069 4.865 ( -4.169 0.845 0.287) 4.263 4.865 ( 4.169 0.845 0.287) 4.263 5.074 ( -0.350 -0.907 -0.106) 0.978 5.074 ( 0.350 -0.907 -0.106) 0.978 5.159 ( -0.403 -0.088 -0.227) 0.471 5.159 ( 0.403 -0.088 -0.227) 0.471 5.336 ( -0.260 -0.897 0.268) 0.972 5.336 ( 0.260 -0.897 0.268) 0.972 5.400 ( -0.100 -1.978 0.004) 1.980 5.400 ( 0.100 -1.978 0.004) 1.980 5.618 ( -1.502 -3.754 2.418) 4.712 5.618 ( 1.502 -3.754 2.418) 4.712 5.750 ( -1.581 -4.854 -2.878) 5.861 5.750 ( 1.581 -4.854 -2.878) 5.861 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 11.467 0.810) 11.495 1.452 ( 0.000 8.310 -0.834) 8.351 1.501 ( 0.000 12.825 5.083) 13.795 1.702 ( 0.000 6.630 2.170) 6.976 1.716 ( 0.000 7.047 1.556) 7.217 1.741 ( 0.000 6.404 6.277) 8.967 1.759 ( 0.000 17.879 -6.353) 18.975 1.834 ( 0.000 10.657 -1.351) 10.743 1.883 ( 0.000 3.623 -1.065) 3.776 1.956 ( 0.000 6.773 2.515) 7.225 2.021 ( 0.000 2.176 1.917) 2.900 2.113 ( 0.000 -0.784 -5.148) 5.208 2.152 ( 0.000 4.123 1.402) 4.355 2.175 ( 0.000 4.062 -2.053) 4.552 2.196 ( 0.000 -3.801 -1.874) 4.238 2.209 ( 0.000 2.455 -5.580) 6.097 2.265 ( 0.000 -3.372 1.321) 3.621 2.357 ( 0.000 -7.559 -1.519) 7.710 2.413 ( 0.000 -2.577 -0.396) 2.608 2.455 ( 0.000 -1.486 -1.148) 1.878 2.510 ( 0.000 2.137 0.854) 2.302 2.546 ( 0.000 1.578 0.927) 1.830 2.568 ( 0.000 -1.573 -1.336) 2.063 2.635 ( 0.000 -0.982 -5.181) 5.273 2.664 ( 0.000 0.075 7.580) 7.580 2.771 ( 0.000 1.048 0.475) 1.150 2.797 ( 0.000 0.422 -0.501) 0.655 2.953 ( 0.000 0.386 -5.458) 5.472 2.957 ( 0.000 4.524 3.725) 5.860 3.064 ( 0.000 -1.696 9.799) 9.945 3.099 ( 0.000 2.534 -2.342) 3.450 3.154 ( 0.000 19.650 1.874) 19.740 3.240 ( 0.000 6.939 -1.814) 7.173 3.331 ( 0.000 9.178 -2.507) 9.514 3.713 ( 0.000 -1.555 0.323) 1.588 3.775 ( 0.000 2.542 -1.696) 3.056 3.975 ( 0.000 -2.295 0.732) 2.409 4.019 ( 0.000 -2.376 -1.143) 2.637 4.129 ( 0.000 3.447 0.893) 3.561 4.153 ( 0.000 1.229 -0.426) 1.301 4.180 ( 0.000 -0.083 0.833) 0.837 4.219 ( 0.000 -0.329 -0.727) 0.798 4.242 ( 0.000 1.195 -0.434) 1.271 4.246 ( 0.000 -0.392 -0.185) 0.433 4.382 ( 0.000 -0.988 0.277) 1.026 4.406 ( 0.000 -1.323 -0.980) 1.646 4.460 ( 0.000 -1.721 1.921) 2.580 4.464 ( 0.000 3.436 0.567) 3.482 4.516 ( 0.000 2.805 -1.270) 3.080 4.549 ( 0.000 -2.192 -0.849) 2.351 4.570 ( 0.000 0.022 -0.049) 0.053 4.602 ( 0.000 0.753 3.081) 3.172 4.606 ( 0.000 2.386 -0.675) 2.480 4.653 ( 0.000 1.109 0.170) 1.122 4.665 ( 0.000 2.497 1.457) 2.890 4.718 ( 0.000 2.852 -0.835) 2.972 4.742 ( 0.000 0.211 1.291) 1.308 4.796 ( 0.000 -1.788 -1.074) 2.086 5.011 ( 0.000 -1.419 -0.113) 1.424 5.018 ( 0.000 -3.225 -0.398) 3.250 5.054 ( 0.000 -2.924 -0.394) 2.950 5.073 ( 0.000 0.421 -1.852) 1.899 5.210 ( 0.000 -2.576 0.652) 2.657 5.231 ( 0.000 -0.564 -0.524) 0.769 5.312 ( 0.000 -0.514 0.378) 0.638 5.318 ( 0.000 1.654 -0.162) 1.662 5.339 ( 0.000 -1.500 2.197) 2.660 5.360 ( 0.000 0.301 2.594) 2.611 5.381 ( 0.000 -1.189 -0.735) 1.398 5.411 ( 0.000 -1.013 1.034) 1.448 5.488 ( 0.000 -0.181 -0.637) 0.662 5.570 ( 0.000 -4.705 -3.724) 6.000 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 3.037 12.539 3.884) 13.473 1.557 ( 5.296 10.651 1.011) 11.938 1.572 ( -0.652 8.256 -0.563) 8.301 1.639 ( 5.343 8.565 2.110) 10.313 1.701 ( 1.510 8.145 2.155) 8.560 1.778 ( 1.224 15.530 -4.615) 16.247 1.811 ( 2.930 7.459 1.643) 8.181 1.845 ( 2.461 5.476 2.758) 6.607 1.926 ( -0.655 6.964 1.902) 7.249 1.957 ( 1.053 5.469 -1.665) 5.814 2.016 ( -0.334 2.711 1.228) 2.995 2.067 ( -1.981 1.691 -1.762) 3.145 2.158 ( -0.742 -1.434 -3.535) 3.886 2.167 ( 0.995 -0.440 -4.125) 4.266 2.232 ( 4.211 4.008 -1.086) 5.915 2.256 ( 1.683 1.678 0.181) 2.384 2.264 ( 4.720 1.543 -3.238) 5.928 2.347 ( -1.169 -5.027 -4.102) 6.593 2.454 ( 2.668 -2.936 3.490) 5.284 2.480 ( 0.101 -1.369 0.497) 1.460 2.500 ( -0.869 3.210 1.103) 3.503 2.572 ( 3.585 -0.581 0.332) 3.647 2.598 ( 3.625 -2.246 -0.155) 4.267 2.665 ( -0.060 -1.167 6.657) 6.759 2.702 ( 3.633 -3.105 -3.030) 5.659 2.746 ( -1.057 0.765 0.031) 1.305 2.796 ( -0.578 -0.392 -1.948) 2.069 2.944 ( -1.154 0.379 -1.221) 1.723 2.988 ( 1.635 0.388 -1.715) 2.401 3.004 ( -0.710 -1.146 4.978) 5.158 3.114 ( -0.761 4.948 0.983) 5.102 3.189 ( 2.983 16.805 2.211) 17.211 3.245 ( 0.198 6.874 -0.602) 6.903 3.308 ( -1.805 9.685 -2.467) 10.156 3.547 ( -13.895 0.888 1.409) 13.995 3.637 ( -12.277 3.269 -1.944) 12.853 3.999 ( 1.860 -2.130 -0.112) 2.830 4.024 ( 0.433 -2.145 -1.086) 2.443 4.103 ( -1.964 0.940 1.052) 2.418 4.132 ( -2.080 0.227 -0.505) 2.152 4.162 ( 0.049 -1.274 0.651) 1.432 4.209 ( -1.015 1.349 1.373) 2.176 4.225 ( -0.013 0.364 -1.773) 1.810 4.248 ( -0.365 1.771 -0.447) 1.863 4.369 ( -1.080 -0.493 0.239) 1.211 4.388 ( -2.310 -0.703 -0.014) 2.414 4.421 ( -0.826 -1.092 0.740) 1.557 4.471 ( 0.093 3.229 0.667) 3.298 4.495 ( -2.629 -0.935 -1.328) 3.090 4.529 ( 1.177 2.814 -1.128) 3.252 4.562 ( -1.788 1.869 2.057) 3.305 4.598 ( -0.597 2.360 -0.141) 2.438 4.622 ( 0.755 -0.262 1.854) 2.019 4.644 ( -0.756 2.927 0.886) 3.150 4.698 ( 1.095 -0.483 -0.597) 1.338 4.712 ( 0.441 -0.278 -0.796) 0.952 4.755 ( 2.113 0.666 0.557) 2.284 4.783 ( 1.315 -0.301 -0.622) 1.486 4.961 ( -3.574 -1.051 -0.168) 3.729 4.970 ( -3.807 -2.159 -0.628) 4.422 5.040 ( -0.122 -1.661 0.191) 1.676 5.067 ( -0.031 0.450 -1.064) 1.156 5.167 ( -2.439 -2.682 0.052) 3.626 5.201 ( -3.102 -0.746 -1.342) 3.461 5.327 ( 0.577 1.697 1.184) 2.148 5.339 ( -0.269 0.278 2.767) 2.794 5.357 ( 2.343 -0.354 -0.188) 2.377 5.382 ( 0.791 0.064 0.278) 0.841 5.459 ( 5.862 -2.185 1.219) 6.374 5.508 ( 5.565 -1.911 0.849) 5.945 5.581 ( 6.133 -2.167 -1.572) 6.692 5.619 ( 3.483 -4.676 -2.779) 6.459 ======================= Grid point 87 (36/63) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -0.539 10.554 0.527) 10.581 1.540 ( 0.539 10.554 0.527) 10.581 1.659 ( -4.003 9.183 2.931) 10.438 1.659 ( 4.003 9.183 2.931) 10.438 1.777 ( -1.897 9.957 -0.208) 10.138 1.777 ( 1.897 9.957 -0.208) 10.138 1.866 ( -1.544 6.072 1.455) 6.432 1.866 ( 1.544 6.072 1.455) 6.432 1.934 ( -2.153 6.499 -0.761) 6.888 1.934 ( 2.153 6.499 -0.761) 6.888 2.026 ( -1.512 3.582 0.922) 3.995 2.026 ( 1.512 3.582 0.922) 3.995 2.173 ( -0.844 -0.594 -6.702) 6.781 2.173 ( 0.844 -0.594 -6.702) 6.781 2.288 ( -1.677 0.419 -2.375) 2.937 2.288 ( 1.677 0.419 -2.375) 2.937 2.386 ( -2.134 2.751 -0.788) 3.570 2.386 ( 2.134 2.751 -0.788) 3.570 2.443 ( -2.184 1.972 1.867) 3.485 2.443 ( 2.184 1.972 1.867) 3.485 2.600 ( -6.175 -1.716 3.408) 7.259 2.600 ( 6.175 -1.716 3.408) 7.259 2.663 ( -3.716 -0.436 1.212) 3.933 2.663 ( 3.716 -0.436 1.212) 3.933 2.722 ( -4.597 -2.448 1.559) 5.436 2.722 ( 4.597 -2.448 1.559) 5.436 2.868 ( -7.158 -4.116 -1.988) 8.493 2.868 ( 7.158 -4.116 -1.988) 8.493 3.049 ( -5.162 0.746 0.433) 5.234 3.049 ( 5.162 0.746 0.433) 5.234 3.119 ( -9.835 -2.104 -2.388) 10.337 3.119 ( 9.835 -2.104 -2.388) 10.337 3.304 ( -1.232 12.519 0.964) 12.616 3.304 ( 1.232 12.519 0.964) 12.616 3.333 ( -8.425 10.594 0.473) 13.544 3.333 ( 8.425 10.594 0.473) 13.544 4.031 ( -0.332 -1.372 -1.280) 1.906 4.031 ( 0.332 -1.372 -1.280) 1.906 4.088 ( -1.175 -1.825 0.560) 2.242 4.088 ( 1.175 -1.825 0.560) 2.242 4.182 ( -1.420 0.340 1.252) 1.924 4.182 ( 1.420 0.340 1.252) 1.924 4.235 ( -0.724 0.935 -0.975) 1.533 4.235 ( 0.724 0.935 -0.975) 1.533 4.354 ( -0.459 0.403 0.347) 0.703 4.354 ( 0.459 0.403 0.347) 0.703 4.429 ( -1.395 -0.306 -0.923) 1.701 4.429 ( 1.395 -0.306 -0.923) 1.701 4.513 ( -2.080 2.675 1.757) 3.817 4.513 ( 2.080 2.675 1.757) 3.817 4.567 ( -1.811 2.919 -0.698) 3.505 4.567 ( 1.811 2.919 -0.698) 3.505 4.631 ( -0.365 0.970 1.514) 1.835 4.631 ( 0.365 0.970 1.514) 1.835 4.706 ( -0.650 -0.537 -1.439) 1.668 4.706 ( 0.650 -0.537 -1.439) 1.668 4.856 ( -5.507 -0.638 0.228) 5.549 4.856 ( 5.507 -0.638 0.228) 5.549 4.871 ( -4.492 -0.207 -0.292) 4.506 4.871 ( 4.492 -0.207 -0.292) 4.506 5.057 ( -1.155 -0.717 0.348) 1.403 5.057 ( 1.155 -0.717 0.348) 1.403 5.142 ( -1.089 -1.760 -1.377) 2.486 5.142 ( 1.089 -1.760 -1.377) 2.486 5.335 ( -0.208 1.064 1.816) 2.115 5.335 ( 0.208 1.064 1.816) 2.115 5.387 ( -0.417 0.079 -0.298) 0.518 5.387 ( 0.417 0.079 -0.298) 0.518 5.559 ( -1.648 -2.358 1.622) 3.303 5.559 ( 1.648 -2.358 1.622) 3.303 5.666 ( -0.583 -3.995 -2.251) 4.623 5.666 ( 0.583 -3.995 -2.251) 4.623 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 0.000 5.021 0.095) 5.022 1.584 ( 0.000 4.647 -0.237) 4.653 1.695 ( 0.000 6.832 3.552) 7.700 1.836 ( 0.000 4.986 2.078) 5.402 1.838 ( 0.000 4.152 1.243) 4.334 1.878 ( 0.000 6.674 3.017) 7.324 1.935 ( 0.000 3.690 1.101) 3.851 1.938 ( 0.000 0.965 -2.444) 2.627 1.957 ( 0.000 -2.763 -6.319) 6.896 2.039 ( 0.000 -1.280 -1.515) 1.983 2.048 ( 0.000 2.221 0.219) 2.232 2.092 ( 0.000 4.505 -0.687) 4.557 2.147 ( 0.000 1.878 0.589) 1.968 2.201 ( 0.000 1.405 -1.494) 2.051 2.224 ( 0.000 1.467 0.248) 1.488 2.262 ( 0.000 -0.864 -2.636) 2.774 2.277 ( 0.000 3.468 1.535) 3.792 2.303 ( 0.000 2.655 -1.377) 2.991 2.388 ( 0.000 0.901 -0.235) 0.931 2.426 ( 0.000 -1.207 -1.066) 1.610 2.517 ( 0.000 0.543 -1.366) 1.470 2.554 ( 0.000 -0.665 1.198) 1.370 2.591 ( 0.000 1.014 1.370) 1.704 2.596 ( 0.000 -2.705 -6.163) 6.731 2.619 ( 0.000 -2.314 7.193) 7.557 2.771 ( 0.000 -1.469 2.009) 2.489 2.814 ( 0.000 0.821 0.378) 0.904 2.905 ( 0.000 -4.175 -4.826) 6.381 3.009 ( 0.000 1.549 1.953) 2.492 3.058 ( 0.000 1.828 8.959) 9.144 3.094 ( 0.000 -2.219 -1.627) 2.751 3.232 ( 0.000 -4.286 4.631) 6.310 3.455 ( 0.000 8.659 -5.255) 10.129 3.471 ( 0.000 3.252 -9.727) 10.256 3.773 ( 0.000 5.995 4.650) 7.587 3.826 ( 0.000 3.053 2.371) 3.866 3.934 ( 0.000 -1.474 0.643) 1.609 3.964 ( 0.000 -2.649 -0.612) 2.719 4.124 ( 0.000 -1.128 -1.354) 1.763 4.191 ( 0.000 -1.319 -3.280) 3.535 4.221 ( 0.000 4.079 0.706) 4.140 4.245 ( 0.000 1.066 1.112) 1.541 4.259 ( 0.000 4.392 0.191) 4.396 4.277 ( 0.000 1.572 0.555) 1.667 4.380 ( 0.000 0.559 0.255) 0.614 4.397 ( 0.000 0.202 -0.576) 0.610 4.456 ( 0.000 1.164 1.428) 1.842 4.509 ( 0.000 0.635 -0.584) 0.863 4.524 ( 0.000 1.796 0.524) 1.871 4.553 ( 0.000 0.758 -0.621) 0.980 4.574 ( 0.000 -1.408 1.144) 1.814 4.615 ( 0.000 1.097 1.869) 2.167 4.626 ( 0.000 -0.928 -1.203) 1.519 4.654 ( 0.000 -0.602 0.177) 0.627 4.736 ( 0.000 1.917 0.003) 1.917 4.768 ( 0.000 -0.081 -1.186) 1.188 4.771 ( 0.000 4.556 0.961) 4.656 4.803 ( 0.000 4.253 -0.488) 4.281 4.951 ( 0.000 -3.494 -0.058) 3.494 4.973 ( 0.000 -2.725 -1.064) 2.925 5.018 ( 0.000 -0.725 0.857) 1.122 5.066 ( 0.000 -1.024 -1.712) 1.995 5.173 ( 0.000 -0.553 2.403) 2.466 5.222 ( 0.000 -0.450 -0.414) 0.612 5.302 ( 0.000 -0.722 0.281) 0.775 5.319 ( 0.000 -0.271 0.461) 0.534 5.324 ( 0.000 -1.196 -1.209) 1.701 5.370 ( 0.000 0.767 1.861) 2.013 5.381 ( 0.000 -0.068 -1.507) 1.508 5.393 ( 0.000 -0.033 1.506) 1.507 5.465 ( 0.000 -5.189 -1.247) 5.337 5.473 ( 0.000 -1.387 -0.948) 1.680 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 3.358 3.575 -0.005) 4.905 1.708 ( 1.790 4.436 -1.104) 4.909 1.720 ( 2.191 5.547 2.573) 6.495 1.780 ( 2.424 5.554 2.161) 6.434 1.882 ( 2.023 8.567 2.888) 9.264 1.906 ( 1.526 1.998 1.201) 2.786 1.935 ( 1.541 2.854 -0.254) 3.254 1.952 ( 0.196 -0.193 -4.241) 4.250 1.984 ( 1.926 2.366 -0.278) 3.063 2.020 ( -0.780 1.374 0.970) 1.854 2.057 ( 1.574 -0.007 -2.266) 2.759 2.099 ( 0.725 4.174 -2.026) 4.696 2.172 ( 2.509 4.459 0.780) 5.175 2.223 ( 1.452 3.856 -1.163) 4.281 2.258 ( 4.070 0.364 0.908) 4.186 2.285 ( 1.207 -0.979 -1.501) 2.160 2.308 ( 2.962 2.945 -1.108) 4.321 2.341 ( 5.363 2.292 -1.207) 5.956 2.413 ( 2.688 -0.381 0.936) 2.872 2.443 ( 1.003 -1.067 -0.285) 1.491 2.518 ( -0.003 0.006 -1.127) 1.127 2.557 ( 1.213 -1.507 2.265) 2.978 2.572 ( 0.115 -0.584 -2.174) 2.254 2.615 ( -0.331 -1.646 4.158) 4.484 2.648 ( 2.592 -3.210 -1.063) 4.261 2.741 ( -2.287 -1.367 0.733) 2.763 2.810 ( -1.182 1.374 -0.784) 1.975 2.899 ( -1.288 -3.698 -4.505) 5.969 2.954 ( -3.522 -1.098 5.276) 6.438 2.993 ( -0.541 -1.312 1.390) 1.986 3.145 ( -0.944 -0.241 1.923) 2.156 3.228 ( -3.941 -4.690 4.594) 7.657 3.436 ( -0.544 4.696 -7.384) 8.768 3.453 ( 0.052 6.039 -5.147) 7.935 3.669 ( -7.883 6.942 3.727) 11.145 3.704 ( -9.454 3.343 1.491) 10.138 3.975 ( 2.621 -0.011 0.499) 2.668 3.989 ( 2.145 -0.691 -0.336) 2.278 4.112 ( -1.205 -0.850 -1.660) 2.220 4.129 ( -4.631 1.235 -1.009) 4.898 4.189 ( -1.323 3.015 1.010) 3.444 4.221 ( -0.571 0.176 0.041) 0.599 4.240 ( -1.604 0.716 1.035) 2.039 4.276 ( -1.637 0.256 -0.248) 1.675 4.384 ( 0.365 1.489 0.256) 1.554 4.402 ( -0.021 1.304 -0.477) 1.389 4.423 ( -0.955 1.765 1.240) 2.359 4.481 ( -2.504 0.418 -1.174) 2.797 4.534 ( 0.974 2.403 0.788) 2.710 4.568 ( 1.400 1.010 -0.620) 1.835 4.597 ( -1.042 1.739 1.482) 2.511 4.615 ( 2.195 0.078 1.070) 2.443 4.631 ( -0.373 0.344 -0.118) 0.521 4.665 ( 2.220 -1.514 -0.391) 2.716 4.726 ( -1.452 4.391 0.040) 4.625 4.746 ( 0.063 0.252 -0.522) 0.583 4.768 ( 1.073 0.093 -0.100) 1.082 4.779 ( -1.471 2.853 -0.306) 3.224 4.915 ( -2.830 -3.210 -0.086) 4.280 4.929 ( -3.191 -2.424 -0.664) 4.061 5.019 ( 0.500 -0.376 0.679) 0.923 5.061 ( 0.012 -1.174 -1.523) 1.923 5.127 ( -3.001 -0.792 1.518) 3.455 5.177 ( -3.942 -1.648 -1.066) 4.403 5.344 ( 1.325 0.491 1.500) 2.061 5.352 ( 2.820 -0.129 0.172) 2.828 5.368 ( 0.971 1.592 0.395) 1.906 5.391 ( 0.581 0.652 0.334) 0.935 5.425 ( 5.138 -0.882 0.812) 5.276 5.476 ( 5.355 -1.554 -0.764) 5.628 5.521 ( 4.024 -4.037 -0.959) 5.780 5.541 ( 4.466 -2.711 -0.956) 5.311 ======================= Grid point 92 (39/63) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -0.039 5.410 -0.007) 5.410 1.692 ( 0.039 5.410 -0.007) 5.410 1.785 ( -2.451 2.703 0.719) 3.719 1.785 ( 2.451 2.703 0.719) 3.719 1.916 ( -0.475 2.756 1.300) 3.084 1.916 ( 0.475 2.756 1.300) 3.084 1.956 ( -0.311 4.532 0.384) 4.559 1.956 ( 0.311 4.532 0.384) 4.559 2.002 ( -0.502 1.864 0.250) 1.946 2.002 ( 0.502 1.864 0.250) 1.946 2.101 ( -0.937 2.882 -3.053) 4.301 2.101 ( 0.937 2.882 -3.053) 4.301 2.220 ( -1.080 4.565 -0.214) 4.696 2.220 ( 1.080 4.565 -0.214) 4.696 2.300 ( -0.128 0.544 -2.127) 2.199 2.300 ( 0.128 0.544 -2.127) 2.199 2.431 ( -1.821 0.709 1.913) 2.735 2.431 ( 1.821 0.709 1.913) 2.735 2.472 ( -4.062 2.268 0.367) 4.667 2.472 ( 4.062 2.268 0.367) 4.667 2.569 ( -2.848 -1.773 1.968) 3.889 2.569 ( 2.848 -1.773 1.968) 3.889 2.657 ( -2.191 1.196 -1.110) 2.732 2.657 ( 2.191 1.196 -1.110) 2.732 2.700 ( -4.908 -0.002 0.899) 4.989 2.700 ( 4.908 -0.002 0.899) 4.989 2.763 ( -10.748 -5.366 -1.429) 12.098 2.763 ( 10.748 -5.366 -1.429) 12.098 3.006 ( -7.993 -3.414 0.326) 8.698 3.006 ( 7.993 -3.414 0.326) 8.698 3.043 ( -6.230 -4.745 0.122) 7.832 3.043 ( 6.230 -4.745 0.122) 7.832 3.503 ( -1.215 6.457 -0.423) 6.584 3.503 ( 1.215 6.457 -0.423) 6.584 3.515 ( -2.142 6.030 0.089) 6.400 3.515 ( 2.142 6.030 0.089) 6.400 4.029 ( -1.715 1.352 -0.692) 2.290 4.029 ( 1.715 1.352 -0.692) 2.290 4.067 ( -1.778 -0.027 -0.368) 1.816 4.067 ( 1.778 -0.027 -0.368) 1.816 4.187 ( -1.378 0.491 1.710) 2.250 4.187 ( 1.378 0.491 1.710) 2.250 4.238 ( -1.262 -0.590 -0.546) 1.496 4.238 ( 1.262 -0.590 -0.546) 1.496 4.393 ( -0.423 2.737 0.258) 2.782 4.393 ( 0.423 2.737 0.258) 2.782 4.434 ( -1.363 0.578 -0.565) 1.585 4.434 ( 1.363 0.578 -0.565) 1.585 4.563 ( -1.501 2.271 1.228) 2.986 4.563 ( 1.501 2.271 1.228) 2.986 4.604 ( -1.512 0.781 -0.588) 1.801 4.604 ( 1.512 0.781 -0.588) 1.801 4.670 ( -2.438 2.919 0.866) 3.900 4.670 ( 2.438 2.919 0.866) 3.900 4.723 ( -1.989 2.368 -0.888) 3.217 4.723 ( 1.989 2.368 -0.888) 3.217 4.817 ( -3.222 -3.003 -0.296) 4.414 4.817 ( 3.222 -3.003 -0.296) 4.414 4.852 ( -2.577 -1.931 -0.012) 3.220 4.852 ( 2.577 -1.931 -0.012) 3.220 5.049 ( -1.986 -0.047 0.375) 2.022 5.049 ( 1.986 -0.047 0.375) 2.022 5.099 ( -2.008 -2.385 -0.738) 3.204 5.099 ( 2.008 -2.385 -0.738) 3.204 5.366 ( -0.618 1.705 1.224) 2.188 5.366 ( 0.618 1.705 1.224) 2.188 5.392 ( -0.695 0.252 -0.141) 0.752 5.392 ( 0.695 0.252 -0.141) 0.752 5.525 ( -1.854 -1.022 0.688) 2.226 5.525 ( 1.854 -1.022 0.688) 2.226 5.589 ( -0.995 -3.716 -1.399) 4.094 5.589 ( 0.995 -3.716 -1.399) 4.094 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 -0.420 -0.389) 0.573 1.623 ( 0.000 0.420 -0.389) 0.573 1.820 ( 0.000 -6.119 -3.140) 6.878 1.820 ( 0.000 6.119 -3.140) 6.878 1.870 ( 0.000 -1.062 -1.590) 1.912 1.870 ( 0.000 1.062 -1.590) 1.912 1.949 ( 0.000 -1.170 1.522) 1.919 1.949 ( 0.000 1.170 1.522) 1.919 2.031 ( 0.000 -0.538 1.976) 2.048 2.031 ( 0.000 0.538 1.976) 2.048 2.082 ( 0.000 -3.825 1.610) 4.150 2.082 ( 0.000 3.825 1.610) 4.150 2.225 ( 0.000 -3.696 0.442) 3.722 2.225 ( 0.000 3.696 0.442) 3.722 2.242 ( 0.000 -0.193 -0.970) 0.989 2.242 ( 0.000 0.193 -0.970) 0.989 2.318 ( 0.000 -0.024 -0.251) 0.253 2.318 ( 0.000 0.024 -0.251) 0.253 2.425 ( 0.000 -0.220 -1.361) 1.379 2.425 ( 0.000 0.220 -1.361) 1.379 2.529 ( 0.000 -1.764 0.553) 1.849 2.529 ( 0.000 1.764 0.553) 1.849 2.547 ( 0.000 -0.348 1.417) 1.459 2.547 ( 0.000 0.348 1.417) 1.459 2.703 ( 0.000 -5.373 -0.757) 5.426 2.703 ( 0.000 5.373 -0.757) 5.426 2.834 ( 0.000 -2.059 -0.732) 2.185 2.834 ( 0.000 2.059 -0.732) 2.185 3.044 ( 0.000 -2.298 0.003) 2.298 3.044 ( 0.000 2.298 0.003) 2.298 3.132 ( 0.000 -5.102 7.161) 8.793 3.132 ( 0.000 5.102 7.161) 8.793 3.509 ( 0.000 -0.869 -10.792) 10.827 3.509 ( 0.000 0.869 -10.792) 10.827 3.855 ( 0.000 -1.379 6.463) 6.609 3.855 ( 0.000 1.379 6.463) 6.609 3.928 ( 0.000 -0.883 0.501) 1.015 3.928 ( 0.000 0.883 0.501) 1.015 4.146 ( 0.000 -2.695 -3.803) 4.661 4.146 ( 0.000 2.695 -3.803) 4.661 4.269 ( 0.000 -0.441 1.236) 1.312 4.269 ( 0.000 0.441 1.236) 1.312 4.295 ( 0.000 -0.648 0.119) 0.659 4.295 ( 0.000 0.648 0.119) 0.659 4.395 ( 0.000 -0.603 0.341) 0.692 4.395 ( 0.000 0.603 0.341) 0.692 4.507 ( 0.000 -3.406 0.994) 3.548 4.507 ( 0.000 3.406 0.994) 3.548 4.550 ( 0.000 -0.907 -0.044) 0.908 4.550 ( 0.000 0.907 -0.044) 0.908 4.571 ( 0.000 -3.462 -0.908) 3.579 4.571 ( 0.000 3.462 -0.908) 3.579 4.639 ( 0.000 -1.057 0.692) 1.264 4.639 ( 0.000 1.057 0.692) 1.264 4.757 ( 0.000 -0.809 -0.328) 0.873 4.757 ( 0.000 0.809 -0.328) 0.873 4.873 ( 0.000 -4.385 0.385) 4.402 4.873 ( 0.000 4.385 0.385) 4.402 4.900 ( 0.000 -4.381 -0.917) 4.476 4.900 ( 0.000 4.381 -0.917) 4.476 5.031 ( 0.000 -1.927 0.900) 2.127 5.031 ( 0.000 1.927 0.900) 2.127 5.199 ( 0.000 -2.166 -0.368) 2.197 5.199 ( 0.000 2.166 -0.368) 2.197 5.298 ( 0.000 -0.820 -0.016) 0.820 5.298 ( 0.000 0.820 -0.016) 0.820 5.335 ( 0.000 -2.104 -1.377) 2.514 5.335 ( 0.000 2.104 -1.377) 2.514 5.394 ( 0.000 -1.715 1.608) 2.351 5.394 ( 0.000 1.715 1.608) 2.351 5.436 ( 0.000 -2.145 -0.524) 2.208 5.436 ( 0.000 2.145 -0.524) 2.208 ======================= Grid point 97 (41/63) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 3.566 -1.082 -1.039) 3.869 1.727 ( 3.566 1.083 -1.039) 3.869 1.815 ( -1.200 -3.510 -1.351) 3.947 1.815 ( -1.200 3.510 -1.351) 3.947 1.912 ( 1.895 -1.129 0.695) 2.312 1.912 ( 1.895 1.129 0.695) 2.312 1.963 ( 3.331 -0.444 0.084) 3.361 1.963 ( 3.331 0.444 0.084) 3.361 2.038 ( 1.849 -1.869 0.984) 2.807 2.038 ( 1.849 1.869 0.984) 2.807 2.097 ( 0.830 -4.192 0.234) 4.280 2.097 ( 0.830 4.192 0.234) 4.280 2.255 ( 2.091 -1.806 -0.145) 2.767 2.255 ( 2.091 1.806 -0.145) 2.767 2.275 ( 3.228 -1.569 -0.919) 3.705 2.275 ( 3.228 1.569 -0.919) 3.705 2.335 ( 3.804 -1.226 0.724) 4.061 2.335 ( 3.804 1.226 0.724) 4.061 2.438 ( 1.318 -1.787 -1.405) 2.628 2.438 ( 1.318 1.787 -1.405) 2.628 2.520 ( -0.533 -1.301 2.295) 2.692 2.520 ( -0.533 1.301 2.295) 2.692 2.573 ( 2.198 -2.714 -0.121) 3.495 2.573 ( 2.198 2.714 -0.121) 3.495 2.683 ( -1.741 -4.548 -0.986) 4.968 2.683 ( -1.741 4.548 -0.986) 4.968 2.837 ( -0.212 -1.999 -1.444) 2.475 2.837 ( -0.212 1.999 -1.444) 2.475 2.963 ( -3.769 -1.417 2.605) 4.796 2.963 ( -3.769 1.417 2.605) 4.796 3.153 ( -3.394 -2.015 4.079) 5.676 3.153 ( -3.394 2.015 4.079) 5.676 3.486 ( -0.073 -1.226 -8.507) 8.595 3.486 ( -0.073 1.226 -8.507) 8.595 3.738 ( -8.072 -0.462 3.936) 8.993 3.738 ( -8.072 0.462 3.936) 8.993 3.986 ( 3.326 -0.631 1.381) 3.656 3.986 ( 3.326 0.631 1.381) 3.656 4.126 ( -1.922 -1.605 -3.496) 4.301 4.126 ( -1.922 1.605 -3.496) 4.301 4.234 ( -2.561 -1.060 1.334) 3.076 4.234 ( -2.561 1.060 1.334) 3.076 4.250 ( -2.338 -2.573 0.804) 3.569 4.250 ( -2.338 2.573 0.805) 3.569 4.406 ( 0.916 -0.623 0.180) 1.122 4.406 ( 0.916 0.623 0.180) 1.122 4.477 ( -2.283 -1.949 0.202) 3.008 4.477 ( -2.283 1.949 0.202) 3.008 4.567 ( 1.242 -1.036 -0.142) 1.624 4.567 ( 1.242 1.036 -0.142) 1.624 4.622 ( 1.082 -0.890 0.316) 1.436 4.622 ( 1.082 0.890 0.316) 1.436 4.634 ( 2.826 -1.724 0.093) 3.312 4.634 ( 2.826 1.724 0.093) 3.312 4.741 ( -0.027 -0.306 -0.497) 0.585 4.741 ( -0.027 0.306 -0.497) 0.585 4.837 ( -3.005 -4.408 0.328) 5.345 4.837 ( -3.005 4.408 0.328) 5.345 4.864 ( -2.602 -3.949 -0.529) 4.759 4.864 ( -2.602 3.949 -0.529) 4.759 5.029 ( 0.356 -1.430 0.357) 1.517 5.029 ( 0.356 1.430 0.357) 1.517 5.140 ( -4.077 -1.731 -0.259) 4.437 5.140 ( -4.077 1.731 -0.259) 4.437 5.351 ( 2.791 -0.193 0.749) 2.897 5.351 ( 2.791 0.193 0.749) 2.897 5.390 ( 1.649 -0.999 -0.465) 1.983 5.390 ( 1.649 0.999 -0.465) 1.983 5.436 ( 4.276 -1.825 -0.065) 4.650 5.436 ( 4.276 1.825 -0.065) 4.650 5.495 ( 4.256 -1.475 -0.244) 4.511 5.495 ( 4.256 1.475 -0.244) 4.511 ======================= Grid point 99 (42/63) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -1.141 -2.823 -0.533) 3.091 1.771 ( 0.150 -2.766 -0.533) 2.821 1.771 ( -0.150 2.766 -0.533) 2.821 1.771 ( 1.141 2.823 -0.533) 3.091 1.958 ( -2.205 -1.942 0.858) 3.061 1.958 ( 2.184 -1.936 0.858) 3.042 1.958 ( -2.184 1.936 0.858) 3.042 1.958 ( 2.205 1.942 0.858) 3.061 2.092 ( -1.199 -3.998 -0.895) 4.269 2.092 ( 1.113 -3.992 -0.895) 4.239 2.092 ( -1.113 3.992 -0.895) 4.239 2.092 ( 1.199 3.998 -0.895) 4.269 2.290 ( -0.564 -1.871 -0.351) 1.985 2.290 ( 0.345 -1.857 -0.351) 1.921 2.290 ( -0.345 1.857 -0.351) 1.921 2.290 ( 0.564 1.871 -0.351) 1.985 2.455 ( -1.667 -2.643 1.373) 3.413 2.455 ( 1.612 -2.634 1.373) 3.380 2.455 ( -1.612 2.634 1.373) 3.380 2.455 ( 1.667 2.643 1.373) 3.413 2.622 ( -2.490 -5.511 -0.964) 6.123 2.622 ( 2.202 -5.480 -0.964) 5.984 2.622 ( -2.202 5.480 -0.964) 5.984 2.622 ( 2.490 5.511 -0.964) 6.123 2.712 ( -12.864 -0.782 0.224) 12.889 2.712 ( -12.811 0.525 0.224) 12.824 2.712 ( 12.811 -0.525 0.224) 12.824 2.712 ( 12.864 0.782 0.224) 12.889 2.972 ( -6.286 -1.169 0.647) 6.426 2.972 ( -6.285 1.169 0.647) 6.426 2.972 ( 6.285 -1.168 0.647) 6.426 2.972 ( 6.286 1.169 0.647) 6.426 3.565 ( -6.293 -0.151 -0.581) 6.321 3.565 ( -6.287 0.056 -0.581) 6.314 3.565 ( 6.287 -0.056 -0.581) 6.314 3.565 ( 6.293 0.151 -0.581) 6.321 4.062 ( -3.230 -1.103 -0.558) 3.458 4.062 ( -2.378 0.154 -0.558) 2.448 4.062 ( 2.378 -0.154 -0.558) 2.448 4.062 ( 3.230 1.103 -0.558) 3.458 4.212 ( -0.736 -1.807 0.804) 2.110 4.212 ( 0.717 -1.805 0.804) 2.102 4.212 ( -0.717 1.805 0.804) 2.102 4.212 ( 0.736 1.807 0.804) 2.110 4.433 ( -1.479 -0.993 0.045) 1.782 4.433 ( 0.375 -0.688 0.045) 0.785 4.433 ( -0.375 0.688 0.045) 0.785 4.433 ( 1.479 0.993 0.045) 1.782 4.598 ( -1.411 -1.195 0.176) 1.858 4.598 ( 1.331 -1.172 0.176) 1.782 4.598 ( -1.331 1.172 0.176) 1.782 4.598 ( 1.411 1.195 0.176) 1.858 4.741 ( -3.066 -3.760 -0.390) 4.867 4.741 ( 2.086 -3.588 -0.390) 4.168 4.741 ( -2.086 3.588 -0.390) 4.168 4.741 ( 3.066 3.760 -0.390) 4.867 4.794 ( -2.305 -3.529 0.059) 4.215 4.794 ( 2.263 -3.522 0.059) 4.186 4.794 ( -2.263 3.522 0.059) 4.186 4.794 ( 2.305 3.529 0.059) 4.215 5.060 ( -2.466 -1.270 0.006) 2.774 5.060 ( -0.496 -0.391 0.006) 0.632 5.060 ( 0.496 0.391 0.006) 0.632 5.060 ( 2.466 1.270 0.006) 2.774 5.390 ( -0.880 -0.608 0.370) 1.132 5.390 ( 0.617 -0.521 0.370) 0.888 5.390 ( -0.617 0.521 0.370) 0.888 5.390 ( 0.880 0.608 0.370) 1.132 5.531 ( -1.849 -1.817 -0.355) 2.616 5.531 ( 1.249 -1.684 -0.355) 2.126 5.531 ( -1.249 1.684 -0.355) 2.127 5.531 ( 1.849 1.817 -0.355) 2.616 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 0.000 -13.785) 13.785 0.623 ( 0.000 0.000 13.785) 13.785 0.862 ( 0.000 0.000 -21.350) 21.350 0.862 ( 0.000 0.000 21.350) 21.350 1.034 ( 0.000 0.000 -21.295) 21.295 1.034 ( 0.000 0.000 21.295) 21.295 1.251 ( 0.000 0.000 -17.402) 17.402 1.251 ( 0.000 0.000 17.402) 17.402 1.617 ( 0.000 0.000 -3.254) 3.254 1.617 ( 0.000 0.000 3.254) 3.254 1.707 ( 0.000 0.000 -3.061) 3.061 1.707 ( 0.000 0.000 3.061) 3.061 1.811 ( 0.000 0.000 -1.027) 1.027 1.811 ( 0.000 0.000 1.027) 1.027 1.886 ( 0.000 0.000 -3.969) 3.969 1.886 ( 0.000 0.000 3.969) 3.969 2.057 ( 0.000 0.000 -2.972) 2.972 2.057 ( 0.000 0.000 2.972) 2.972 2.280 ( 0.000 0.000 -10.195) 10.195 2.280 ( 0.000 0.000 10.195) 10.195 2.359 ( 0.000 0.000 -4.713) 4.713 2.359 ( 0.000 0.000 4.713) 4.713 2.420 ( 0.000 0.000 -5.150) 5.150 2.420 ( 0.000 0.000 5.150) 5.150 2.540 ( 0.000 0.000 -2.894) 2.894 2.540 ( 0.000 0.000 2.894) 2.894 2.596 ( 0.000 0.000 -0.440) 0.440 2.596 ( 0.000 0.000 0.440) 0.440 2.885 ( 0.000 0.000 -0.939) 0.939 2.885 ( 0.000 0.000 0.939) 0.939 3.056 ( 0.000 0.000 -6.725) 6.725 3.056 ( 0.000 0.000 6.725) 6.725 3.268 ( 0.000 0.000 -13.876) 13.876 3.268 ( 0.000 0.000 13.876) 13.876 3.846 ( 0.000 0.000 -0.608) 0.608 3.846 ( 0.000 0.000 0.608) 0.608 3.866 ( 0.000 0.000 -8.394) 8.394 3.866 ( 0.000 0.000 8.394) 8.394 3.887 ( 0.000 0.000 -2.016) 2.016 3.887 ( 0.000 0.000 2.016) 2.016 4.121 ( 0.000 0.000 -0.398) 0.398 4.121 ( 0.000 0.000 0.398) 0.398 4.177 ( 0.000 0.000 -0.447) 0.447 4.177 ( 0.000 0.000 0.447) 0.447 4.308 ( 0.000 0.000 -0.531) 0.531 4.308 ( 0.000 0.000 0.531) 0.531 4.330 ( 0.000 0.000 -1.822) 1.822 4.330 ( 0.000 0.000 1.822) 1.822 4.349 ( 0.000 0.000 -1.511) 1.511 4.349 ( 0.000 0.000 1.511) 1.511 4.457 ( 0.000 0.000 -0.073) 0.073 4.457 ( 0.000 0.000 0.073) 0.073 4.554 ( 0.000 0.000 -0.628) 0.628 4.554 ( 0.000 0.000 0.628) 0.628 4.749 ( 0.000 0.000 -0.710) 0.710 4.749 ( 0.000 0.000 0.710) 0.710 4.815 ( 0.000 0.000 -2.474) 2.474 4.815 ( 0.000 0.000 2.474) 2.474 5.117 ( 0.000 0.000 -1.588) 1.588 5.117 ( 0.000 0.000 1.588) 1.588 5.179 ( 0.000 0.000 -0.097) 0.097 5.179 ( 0.000 0.000 0.097) 0.097 5.318 ( 0.000 0.000 -0.135) 0.135 5.318 ( 0.000 0.000 0.135) 0.135 5.407 ( 0.000 0.000 -5.478) 5.478 5.407 ( 0.000 0.000 5.478) 5.478 5.467 ( 0.000 0.000 -0.011) 0.011 5.467 ( 0.000 0.000 0.011) 0.011 5.554 ( 0.000 0.000 -2.886) 2.886 5.554 ( 0.000 0.000 2.886) 2.886 5.843 ( 0.000 0.000 -2.247) 2.247 5.843 ( 0.000 0.000 2.247) 2.247 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.548 0.000 -16.742) 16.751 0.732 ( -0.548 0.000 16.742) 16.751 0.964 ( 8.349 0.000 -17.857) 19.712 0.964 ( 8.349 0.000 17.857) 19.712 1.033 ( 0.752 0.000 -2.591) 2.697 1.033 ( 0.752 0.000 2.591) 2.697 1.367 ( 11.402 0.000 -13.893) 17.973 1.367 ( 11.402 0.000 13.893) 17.973 1.464 ( -10.270 0.000 -6.513) 12.161 1.464 ( -10.270 0.000 6.513) 12.161 1.803 ( 5.036 0.000 -4.357) 6.659 1.803 ( 5.036 0.000 4.357) 6.659 1.896 ( 4.385 0.000 -1.686) 4.698 1.896 ( 4.385 0.000 1.686) 4.698 1.903 ( 4.492 0.000 -5.255) 6.913 1.903 ( 4.492 0.000 5.255) 6.913 2.048 ( -0.739 0.000 -2.860) 2.954 2.048 ( -0.739 0.000 2.860) 2.954 2.258 ( -0.388 0.000 -6.784) 6.795 2.258 ( -0.388 0.000 6.784) 6.795 2.384 ( 2.176 0.000 -4.146) 4.682 2.384 ( 2.176 0.000 4.146) 4.682 2.456 ( 2.484 0.000 -6.106) 6.592 2.456 ( 2.484 0.000 6.106) 6.592 2.515 ( -2.085 0.000 -2.940) 3.604 2.515 ( -2.085 0.000 2.940) 3.604 2.650 ( 1.139 0.000 -1.848) 2.170 2.650 ( 1.139 0.000 1.848) 2.170 2.839 ( -2.589 0.000 -1.427) 2.956 2.839 ( -2.589 0.000 1.427) 2.956 3.003 ( -4.654 0.000 -2.555) 5.309 3.003 ( -4.654 0.000 2.555) 5.309 3.226 ( 1.285 0.000 -1.215) 1.769 3.226 ( 1.285 0.000 1.215) 1.769 3.696 ( -13.713 0.000 -8.603) 16.188 3.696 ( -13.713 0.000 8.603) 16.188 3.853 ( 0.533 0.000 -0.795) 0.957 3.853 ( 0.533 0.000 0.795) 0.957 3.882 ( -0.417 0.000 -1.768) 1.816 3.882 ( -0.417 0.000 1.768) 1.816 4.127 ( 0.497 0.000 -0.420) 0.651 4.127 ( 0.497 0.000 0.420) 0.651 4.169 ( -0.676 0.000 -0.453) 0.814 4.169 ( -0.676 0.000 0.453) 0.814 4.333 ( 0.240 0.000 -1.741) 1.757 4.333 ( 0.240 0.000 1.741) 1.757 4.335 ( 1.602 0.000 -0.505) 1.680 4.335 ( 1.602 0.000 0.505) 1.680 4.347 ( -0.226 0.000 -1.523) 1.540 4.347 ( -0.226 0.000 1.523) 1.540 4.463 ( -0.676 0.000 -1.163) 1.346 4.463 ( -0.676 0.000 1.163) 1.346 4.602 ( 1.862 0.000 -0.558) 1.944 4.602 ( 1.862 0.000 0.558) 1.944 4.737 ( -4.642 0.000 -3.373) 5.738 4.737 ( -4.642 0.000 3.373) 5.738 4.801 ( 4.228 0.000 -2.224) 4.777 4.801 ( 4.228 0.000 2.224) 4.777 5.034 ( -5.093 0.000 -0.599) 5.128 5.034 ( -5.093 0.000 0.599) 5.128 5.098 ( -1.476 0.000 -0.921) 1.740 5.098 ( -1.476 0.000 0.921) 1.740 5.228 ( -5.598 0.000 -2.011) 5.949 5.228 ( -5.598 0.000 2.011) 5.949 5.432 ( 3.183 0.000 -3.343) 4.616 5.432 ( 3.183 0.000 3.343) 4.616 5.532 ( 0.741 0.000 -4.845) 4.902 5.532 ( 0.741 0.000 4.845) 4.902 5.777 ( 12.064 0.000 -3.542) 12.574 5.777 ( 12.064 0.000 3.542) 12.574 5.932 ( 5.314 0.000 -8.378) 9.922 5.932 ( 5.314 0.000 8.378) 9.922 ======================= Grid point 134 (45/63) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 0.000 0.000) 0.000 0.678 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.159 ( -0.000 0.000 -0.000) 0.000 1.159 ( 0.000 0.000 0.000) 0.000 1.250 ( -0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.953 ( -0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 -0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.283 ( -0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.435 ( -0.000 0.000 -0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.466 ( -0.000 0.000 0.000) 0.000 2.526 ( -0.000 0.000 -0.000) 0.000 2.526 ( 0.000 0.000 -0.000) 0.000 2.541 ( -0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.935 ( -0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 -0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.390 ( -0.000 0.000 -0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 -0.000) 0.000 3.864 ( -0.000 0.000 0.000) 0.000 3.873 ( -0.000 0.000 -0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 -0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.156 ( 0.000 0.000 0.000) 0.000 4.156 ( -0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 -0.000) 0.000 4.339 ( -0.000 0.000 0.000) 0.000 4.341 ( -0.000 0.000 -0.000) 0.000 4.341 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.660 ( -0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.958 ( -0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 -0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 -0.000) 0.000 5.956 ( -0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 -0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 0.000 0.881 -10.369) 10.406 0.678 ( 0.000 0.881 10.369) 10.406 0.771 ( 0.000 6.800 -1.256) 6.915 0.771 ( 0.000 6.800 1.256) 6.915 1.216 ( 0.000 6.511 -11.161) 12.921 1.216 ( 0.000 6.511 11.161) 12.921 1.425 ( 0.000 16.074 -15.716) 22.480 1.425 ( 0.000 16.074 15.716) 22.480 1.607 ( 0.000 0.823 -4.744) 4.815 1.607 ( 0.000 0.823 4.744) 4.815 1.725 ( 0.000 2.183 -4.585) 5.078 1.725 ( 0.000 2.183 4.585) 5.078 1.785 ( 0.000 4.817 -2.990) 5.670 1.785 ( 0.000 4.817 2.990) 5.670 2.045 ( 0.000 -0.523 -4.749) 4.777 2.045 ( 0.000 -0.523 4.749) 4.777 2.093 ( 0.000 12.244 -1.579) 12.345 2.093 ( 0.000 12.244 1.579) 12.345 2.305 ( 0.000 4.102 -2.553) 4.831 2.305 ( 0.000 4.102 2.553) 4.831 2.414 ( 0.000 3.117 -0.887) 3.241 2.414 ( 0.000 3.117 0.887) 3.241 2.474 ( 0.000 4.570 -3.826) 5.960 2.474 ( 0.000 4.570 3.826) 5.960 2.554 ( 0.000 1.254 -2.166) 2.503 2.554 ( 0.000 1.254 2.166) 2.503 2.604 ( 0.000 1.755 -0.091) 1.757 2.604 ( 0.000 1.755 0.091) 1.757 2.853 ( 0.000 -2.619 -1.913) 3.243 2.853 ( 0.000 -2.619 1.913) 3.243 3.006 ( 0.000 -4.584 -6.480) 7.937 3.006 ( 0.000 -4.584 6.480) 7.937 3.166 ( 0.000 -5.296 -5.615) 7.719 3.166 ( 0.000 -5.296 5.615) 7.719 3.829 ( 0.000 -1.948 -7.188) 7.447 3.829 ( 0.000 -1.948 7.188) 7.447 3.908 ( 0.000 3.917 -0.018) 3.917 3.908 ( 0.000 3.917 0.018) 3.917 3.958 ( 0.000 5.242 -1.796) 5.541 3.958 ( 0.000 5.242 1.796) 5.541 4.172 ( 0.000 4.440 -0.380) 4.456 4.172 ( 0.000 4.440 0.380) 4.456 4.242 ( 0.000 3.344 -0.331) 3.360 4.242 ( 0.000 3.344 0.331) 3.360 4.292 ( 0.000 -0.118 -0.781) 0.789 4.292 ( 0.000 -0.118 0.781) 0.789 4.347 ( 0.000 -0.242 -0.376) 0.447 4.347 ( 0.000 -0.242 0.376) 0.447 4.403 ( 0.000 4.204 -0.927) 4.305 4.403 ( 0.000 4.204 0.927) 4.305 4.499 ( 0.000 1.895 -1.158) 2.221 4.499 ( 0.000 1.895 1.158) 2.221 4.559 ( 0.000 1.555 -0.554) 1.651 4.559 ( 0.000 1.555 0.554) 1.651 4.756 ( 0.000 -0.607 -0.153) 0.626 4.756 ( 0.000 -0.607 0.153) 0.626 4.860 ( 0.000 5.687 -2.079) 6.055 4.860 ( 0.000 5.687 2.079) 6.055 5.111 ( 0.000 -0.845 -0.346) 0.913 5.111 ( 0.000 -0.845 0.346) 0.913 5.166 ( 0.000 -1.196 -0.229) 1.218 5.166 ( 0.000 -1.196 0.229) 1.218 5.309 ( 0.000 -1.026 -0.071) 1.028 5.309 ( 0.000 -1.026 0.071) 1.028 5.370 ( 0.000 -3.562 -4.895) 6.054 5.370 ( 0.000 -3.562 4.895) 6.054 5.454 ( 0.000 -1.261 -0.088) 1.264 5.454 ( 0.000 -1.261 0.088) 1.264 5.531 ( 0.000 -2.207 -2.601) 3.411 5.531 ( 0.000 -2.207 2.601) 3.411 5.750 ( 0.000 -7.833 -1.086) 7.908 5.750 ( 0.000 -7.833 1.086) 7.908 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 2.281 2.446 -13.134) 13.553 0.739 ( 2.281 2.446 13.134) 13.553 0.953 ( 7.514 6.593 -10.410) 14.433 0.953 ( 7.514 6.593 10.410) 14.433 1.184 ( 1.317 7.070 -2.855) 7.737 1.184 ( 1.317 7.070 2.855) 7.737 1.406 ( -4.650 3.279 -4.402) 7.194 1.406 ( -4.650 3.279 4.402) 7.194 1.617 ( 5.089 14.639 -10.899) 18.947 1.617 ( 5.089 14.639 10.899) 18.947 1.801 ( 5.702 -0.508 -6.690) 8.805 1.801 ( 5.702 -0.508 6.690) 8.805 1.855 ( 3.988 3.680 -5.039) 7.406 1.855 ( 3.988 3.680 5.039) 7.406 2.052 ( 1.443 2.156 -4.207) 4.943 2.052 ( 1.443 2.156 4.207) 4.943 2.105 ( 1.251 10.023 -1.088) 10.159 2.105 ( 1.251 10.023 1.088) 10.159 2.298 ( -0.214 4.490 -2.674) 5.230 2.298 ( -0.214 4.490 2.674) 5.230 2.388 ( -0.153 1.790 -4.290) 4.651 2.388 ( -0.153 1.790 4.290) 4.651 2.481 ( -2.748 -0.973 -4.397) 5.276 2.481 ( -2.748 -0.973 4.397) 5.276 2.566 ( 2.163 6.440 -2.756) 7.331 2.566 ( 2.163 6.440 2.756) 7.331 2.662 ( 2.867 1.145 -1.890) 3.620 2.662 ( 2.867 1.145 1.890) 3.620 2.809 ( -1.682 -1.866 -0.292) 2.530 2.809 ( -1.682 -1.866 0.292) 2.530 2.988 ( -3.109 -0.943 -1.160) 3.450 2.988 ( -3.109 -0.943 1.160) 3.450 3.166 ( 2.560 -4.978 -2.350) 6.071 3.166 ( 2.560 -4.978 2.350) 6.071 3.673 ( -13.785 -1.968 -8.097) 16.107 3.673 ( -13.785 -1.968 8.097) 16.107 3.907 ( 0.253 4.136 -0.740) 4.209 3.907 ( 0.253 4.136 0.740) 4.209 3.936 ( -0.869 4.953 -1.942) 5.391 3.936 ( -0.869 4.953 1.942) 5.391 4.182 ( 0.805 4.896 -0.382) 4.976 4.182 ( 0.805 4.896 0.382) 4.976 4.232 ( -0.904 4.794 -0.571) 4.912 4.232 ( -0.904 4.794 0.571) 4.912 4.291 ( 0.361 -1.763 -0.364) 1.836 4.291 ( 0.361 -1.763 0.364) 1.836 4.336 ( -0.761 -0.798 -0.888) 1.416 4.336 ( -0.761 -0.798 0.888) 1.416 4.400 ( 0.357 3.418 -0.368) 3.456 4.400 ( 0.357 3.418 0.368) 3.456 4.497 ( -0.729 2.369 -0.516) 2.532 4.497 ( -0.729 2.369 0.516) 2.532 4.598 ( 1.911 -0.112 -0.446) 1.966 4.598 ( 1.911 -0.112 0.446) 1.966 4.742 ( -3.397 -0.362 -1.047) 3.574 4.742 ( -3.397 -0.362 1.047) 3.574 4.827 ( 0.602 3.670 -2.472) 4.466 4.827 ( 0.602 3.670 2.472) 4.466 5.014 ( -5.412 -2.258 -0.276) 5.871 5.014 ( -5.412 -2.258 0.276) 5.871 5.093 ( -1.269 -0.575 -1.081) 1.764 5.093 ( -1.269 -0.575 1.081) 1.764 5.220 ( -4.902 -0.598 -1.438) 5.143 5.220 ( -4.902 -0.598 1.438) 5.143 5.408 ( 2.827 -2.293 -2.835) 4.614 5.408 ( 2.827 -2.293 2.835) 4.614 5.506 ( 0.317 -2.499 -4.334) 5.013 5.506 ( 0.317 -2.499 4.334) 5.013 5.738 ( 11.498 -3.742 -3.375) 12.554 5.738 ( 11.498 -3.742 3.375) 12.554 5.851 ( 6.177 -7.015 -6.816) 11.568 5.851 ( 6.177 -7.015 6.816) 11.568 ======================= Grid point 144 (48/63) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.000 7.351 0.000) 7.351 0.741 ( 0.000 7.351 0.000) 7.351 1.050 ( 0.000 4.036 0.000) 4.036 1.050 ( 0.000 4.036 0.000) 4.036 1.234 ( 0.000 0.828 -0.000) 0.828 1.234 ( 0.000 0.828 0.000) 0.828 1.287 ( -0.000 9.447 0.000) 9.447 1.287 ( 0.000 9.447 0.000) 9.447 1.706 ( 0.000 13.146 0.000) 13.146 1.706 ( 0.000 13.146 0.000) 13.146 1.841 ( 0.000 1.392 -0.000) 1.392 1.841 ( 0.000 1.392 0.000) 1.392 2.003 ( -0.000 5.026 -0.000) 5.026 2.003 ( -0.000 5.026 0.000) 5.026 2.024 ( 0.000 3.627 -0.000) 3.627 2.024 ( 0.000 3.627 0.000) 3.627 2.178 ( 0.000 5.425 0.000) 5.425 2.178 ( 0.000 5.425 0.000) 5.425 2.305 ( -0.000 2.412 0.000) 2.412 2.305 ( 0.000 2.412 0.000) 2.412 2.398 ( -0.000 0.195 -0.000) 0.195 2.398 ( 0.000 0.195 0.000) 0.195 2.403 ( -0.000 -2.077 -0.000) 2.077 2.403 ( -0.000 -2.077 0.000) 2.077 2.626 ( -0.000 5.518 -0.000) 5.518 2.626 ( 0.000 5.518 -0.000) 5.518 2.640 ( -0.000 7.263 0.000) 7.263 2.640 ( 0.000 7.263 0.000) 7.263 2.842 ( 0.000 0.124 0.000) 0.124 2.842 ( 0.000 0.124 0.000) 0.124 2.910 ( -0.000 -1.983 0.000) 1.983 2.910 ( 0.000 -1.983 0.000) 1.983 3.319 ( 0.000 -3.272 -0.000) 3.272 3.319 ( 0.000 -3.272 0.000) 3.272 3.350 ( -0.000 -3.746 -0.000) 3.746 3.350 ( -0.000 -3.746 0.000) 3.746 3.916 ( -0.000 3.874 -0.000) 3.874 3.916 ( 0.000 3.874 0.000) 3.874 3.924 ( 0.000 5.143 0.000) 5.143 3.924 ( 0.000 5.143 0.000) 5.143 4.198 ( -0.000 5.262 0.000) 5.262 4.198 ( 0.000 5.262 0.000) 5.262 4.214 ( 0.000 5.098 0.000) 5.098 4.214 ( -0.000 5.098 0.000) 5.098 4.304 ( 0.000 -1.998 0.000) 1.998 4.304 ( 0.000 -1.998 0.000) 1.998 4.321 ( 0.000 -1.571 0.000) 1.571 4.321 ( 0.000 -1.571 0.000) 1.571 4.411 ( -0.000 2.947 0.000) 2.947 4.411 ( 0.000 2.947 0.000) 2.947 4.482 ( 0.000 2.505 0.000) 2.505 4.482 ( 0.000 2.505 0.000) 2.505 4.630 ( 0.000 1.387 0.000) 1.387 4.630 ( 0.000 1.387 0.000) 1.387 4.660 ( -0.000 0.240 0.000) 0.240 4.660 ( 0.000 0.240 0.000) 0.240 4.875 ( 0.000 -1.212 0.000) 1.212 4.875 ( 0.000 -1.212 0.000) 1.212 4.937 ( 0.000 -2.149 0.000) 2.149 4.937 ( -0.000 -2.149 0.000) 2.149 5.104 ( 0.000 -0.744 0.000) 0.744 5.104 ( 0.000 -0.744 0.000) 0.744 5.147 ( 0.000 0.435 0.000) 0.435 5.147 ( 0.000 0.435 0.000) 0.435 5.436 ( 0.000 -2.739 0.000) 2.739 5.436 ( 0.000 -2.739 0.000) 2.739 5.508 ( 0.000 -2.561 0.000) 2.561 5.508 ( 0.000 -2.561 0.000) 2.561 5.903 ( 0.000 -4.830 -0.000) 4.830 5.903 ( -0.000 -4.830 0.000) 4.830 5.906 ( -0.000 -5.833 -0.000) 5.833 5.906 ( 0.000 -5.833 0.000) 5.833 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 15.354 -4.494) 15.998 0.834 ( 0.000 15.354 4.494) 15.998 0.993 ( 0.000 12.847 -6.112) 14.227 0.993 ( 0.000 12.847 6.112) 14.227 1.361 ( 0.000 9.173 -6.085) 11.008 1.361 ( 0.000 9.173 6.085) 11.008 1.542 ( 0.000 2.660 -1.984) 3.318 1.542 ( 0.000 2.660 1.984) 3.318 1.776 ( 0.000 5.764 -4.351) 7.222 1.776 ( 0.000 5.764 4.351) 7.222 1.875 ( 0.000 13.227 -3.254) 13.622 1.875 ( 0.000 13.227 3.254) 13.622 1.945 ( 0.000 9.773 -5.110) 11.029 1.945 ( 0.000 9.773 5.110) 11.029 2.039 ( 0.000 1.084 -2.450) 2.679 2.039 ( 0.000 1.084 2.450) 2.679 2.298 ( 0.000 7.725 -1.385) 7.849 2.298 ( 0.000 7.725 1.385) 7.849 2.428 ( 0.000 7.423 -2.586) 7.861 2.428 ( 0.000 7.423 2.586) 7.861 2.506 ( 0.000 3.102 -3.198) 4.456 2.506 ( 0.000 3.102 3.198) 4.456 2.529 ( 0.000 5.148 -1.661) 5.409 2.529 ( 0.000 5.148 1.661) 5.409 2.565 ( 0.000 0.870 -1.688) 1.899 2.565 ( 0.000 0.870 1.688) 1.899 2.695 ( 0.000 4.880 -0.838) 4.951 2.695 ( 0.000 4.880 0.838) 4.951 2.814 ( 0.000 -0.828 -1.871) 2.046 2.814 ( 0.000 -0.828 1.871) 2.046 2.907 ( 0.000 -3.629 -3.631) 5.134 2.907 ( 0.000 -3.629 3.631) 5.134 3.132 ( 0.000 1.450 -0.233) 1.468 3.132 ( 0.000 1.450 0.233) 1.468 3.791 ( 0.000 -1.962 -6.072) 6.381 3.791 ( 0.000 -1.962 6.072) 6.381 3.979 ( 0.000 3.096 -0.320) 3.113 3.979 ( 0.000 3.096 0.320) 3.113 4.067 ( 0.000 5.113 -2.388) 5.643 4.067 ( 0.000 5.113 2.388) 5.643 4.210 ( 0.000 -2.028 -0.047) 2.028 4.210 ( 0.000 -2.028 0.047) 2.028 4.278 ( 0.000 1.937 -0.808) 2.099 4.278 ( 0.000 1.937 0.808) 2.099 4.312 ( 0.000 0.591 -0.341) 0.682 4.312 ( 0.000 0.591 0.341) 0.682 4.388 ( 0.000 6.022 -1.167) 6.134 4.388 ( 0.000 6.022 1.167) 6.134 4.478 ( 0.000 -1.312 -0.339) 1.355 4.478 ( 0.000 -1.312 0.339) 1.355 4.491 ( 0.000 3.184 -1.180) 3.395 4.491 ( 0.000 3.184 1.180) 3.395 4.603 ( 0.000 2.014 -1.372) 2.437 4.603 ( 0.000 2.014 1.372) 2.437 4.726 ( 0.000 -1.836 -0.701) 1.966 4.726 ( 0.000 -1.836 0.701) 1.966 4.953 ( 0.000 -0.075 -2.194) 2.195 4.953 ( 0.000 -0.075 2.194) 2.195 5.074 ( 0.000 -2.111 -4.126) 4.635 5.074 ( 0.000 -2.111 4.126) 4.635 5.132 ( 0.000 -2.426 -2.228) 3.294 5.132 ( 0.000 -2.426 2.228) 3.294 5.268 ( 0.000 -2.668 -1.370) 2.999 5.268 ( 0.000 -2.668 1.370) 2.999 5.312 ( 0.000 -1.157 -0.145) 1.166 5.312 ( 0.000 -1.157 0.145) 1.166 5.423 ( 0.000 -1.676 -0.367) 1.715 5.423 ( 0.000 -1.676 0.367) 1.715 5.477 ( 0.000 -2.961 -1.897) 3.516 5.477 ( 0.000 -2.961 1.897) 3.516 5.610 ( 0.000 -5.276 -2.895) 6.018 5.610 ( 0.000 -5.276 2.895) 6.018 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 4.966 15.386 -3.023) 16.447 0.920 ( 4.966 15.386 3.023) 16.447 1.151 ( 5.997 11.566 -7.765) 15.167 1.151 ( 5.997 11.566 7.765) 15.167 1.330 ( 1.085 8.596 -2.813) 9.109 1.330 ( 1.085 8.596 2.813) 9.109 1.498 ( -2.848 6.747 -1.656) 7.508 1.498 ( -2.848 6.747 1.656) 7.508 1.815 ( 3.539 2.842 -7.199) 8.510 1.815 ( 3.539 2.842 7.199) 8.510 1.893 ( 0.771 8.646 -1.484) 8.806 1.893 ( 0.771 8.646 1.484) 8.806 1.998 ( 3.207 8.494 -7.816) 11.980 1.998 ( 3.207 8.494 7.816) 11.980 2.090 ( 5.720 4.001 -4.235) 8.165 2.090 ( 5.720 4.001 4.235) 8.165 2.276 ( -2.410 5.082 -1.104) 5.732 2.276 ( -2.410 5.082 1.104) 5.732 2.405 ( -2.955 2.574 -0.314) 3.931 2.405 ( -2.955 2.574 0.314) 3.931 2.451 ( -0.979 6.611 -1.218) 6.793 2.451 ( -0.979 6.611 1.218) 6.793 2.530 ( 1.202 8.433 -4.292) 9.538 2.530 ( 1.202 8.433 4.292) 9.538 2.651 ( 4.138 2.368 -2.146) 5.229 2.651 ( 4.138 2.368 2.146) 5.229 2.730 ( 1.741 4.939 -0.698) 5.283 2.730 ( 1.741 4.939 0.698) 5.283 2.798 ( 0.309 1.282 -2.757) 3.056 2.798 ( 0.309 1.282 2.757) 3.056 2.969 ( 3.781 -2.056 -2.722) 5.093 2.969 ( 3.781 -2.056 2.722) 5.093 3.086 ( -2.381 -1.138 -1.992) 3.307 3.086 ( -2.381 -1.138 1.992) 3.307 3.630 ( -14.362 -2.191 -5.877) 15.671 3.630 ( -14.362 -2.191 5.877) 15.671 3.988 ( 0.667 3.598 -0.799) 3.746 3.988 ( 0.667 3.598 0.799) 3.746 4.043 ( -1.071 5.159 -1.943) 5.616 4.043 ( -1.071 5.159 1.943) 5.616 4.223 ( 0.954 -2.589 -0.265) 2.772 4.223 ( 0.954 -2.589 0.265) 2.772 4.271 ( -0.710 -0.494 -0.602) 1.054 4.271 ( -0.710 -0.494 0.602) 1.054 4.316 ( 0.736 3.812 -0.643) 3.935 4.316 ( 0.736 3.812 0.643) 3.935 4.369 ( -1.307 5.062 -1.698) 5.497 4.369 ( -1.307 5.062 1.698) 5.497 4.451 ( -1.047 1.221 -1.284) 2.058 4.451 ( -1.047 1.221 1.284) 2.058 4.515 ( -0.002 -0.150 -0.921) 0.933 4.515 ( -0.002 -0.150 0.921) 0.933 4.615 ( 1.662 1.740 -0.874) 2.560 4.615 ( 1.662 1.740 0.874) 2.560 4.722 ( -0.446 -0.838 -0.715) 1.188 4.722 ( -0.446 -0.838 0.715) 1.188 4.910 ( -4.023 -0.750 -0.963) 4.204 4.910 ( -4.023 -0.750 0.963) 4.204 4.946 ( -6.201 -0.820 -1.764) 6.499 4.946 ( -6.201 -0.820 1.764) 6.499 5.077 ( -0.488 -0.943 -1.227) 1.623 5.077 ( -0.488 -0.943 1.227) 1.623 5.213 ( -3.546 -0.189 -0.327) 3.566 5.213 ( -3.546 -0.189 0.327) 3.566 5.354 ( 1.858 -2.641 -1.337) 3.494 5.354 ( 1.858 -2.641 1.337) 3.494 5.447 ( -0.196 -3.071 -2.420) 3.915 5.447 ( -0.196 -3.071 2.420) 3.915 5.644 ( 10.460 -5.272 -3.202) 12.143 5.644 ( 10.460 -5.272 3.202) 12.143 5.718 ( 6.256 -5.577 -4.682) 9.601 5.718 ( 6.256 -5.577 4.682) 9.601 ======================= Grid point 154 (51/63) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 15.386 0.000) 15.386 0.974 ( 0.000 15.386 0.000) 15.386 1.223 ( -0.000 12.653 0.000) 12.653 1.223 ( 0.000 12.653 0.000) 12.653 1.311 ( -0.000 6.724 0.000) 6.724 1.311 ( 0.000 6.724 -0.000) 6.724 1.485 ( -0.000 10.529 0.000) 10.529 1.485 ( 0.000 10.529 0.000) 10.529 1.860 ( -0.000 1.412 -0.000) 1.412 1.860 ( 0.000 1.412 0.000) 1.412 1.903 ( 0.000 5.608 0.000) 5.608 1.903 ( 0.000 5.608 0.000) 5.608 2.136 ( -0.000 3.123 -0.000) 3.123 2.136 ( 0.000 3.123 -0.000) 3.123 2.143 ( -0.000 7.716 0.000) 7.716 2.143 ( 0.000 7.716 0.000) 7.716 2.209 ( 0.000 1.658 0.000) 1.658 2.209 ( 0.000 1.658 0.000) 1.658 2.349 ( 0.000 1.479 0.000) 1.479 2.349 ( 0.000 1.479 0.000) 1.479 2.478 ( 0.000 10.958 0.000) 10.958 2.478 ( 0.000 10.958 0.000) 10.958 2.536 ( 0.000 11.313 -0.000) 11.313 2.536 ( 0.000 11.313 0.000) 11.313 2.701 ( -0.000 3.022 -0.000) 3.022 2.701 ( 0.000 3.022 0.000) 3.022 2.745 ( 0.000 1.909 0.000) 1.909 2.745 ( 0.000 1.909 0.000) 1.909 2.890 ( -0.000 4.115 0.000) 4.115 2.890 ( 0.000 4.115 0.000) 4.115 2.900 ( -0.000 2.414 -0.000) 2.414 2.900 ( 0.000 2.414 -0.000) 2.414 3.244 ( -0.000 -3.679 -0.000) 3.679 3.244 ( 0.000 -3.679 0.000) 3.679 3.260 ( -0.000 -4.837 0.000) 4.837 3.260 ( -0.000 -4.837 0.000) 4.837 3.999 ( -0.000 3.882 -0.000) 3.882 3.999 ( 0.000 3.882 0.000) 3.882 4.032 ( 0.000 5.237 0.000) 5.237 4.032 ( 0.000 5.237 0.000) 5.237 4.243 ( 0.000 -2.624 0.000) 2.624 4.243 ( 0.000 -2.624 0.000) 2.624 4.253 ( 0.000 -1.763 -0.000) 1.763 4.253 ( 0.000 -1.763 0.000) 1.763 4.342 ( -0.000 5.475 -0.000) 5.475 4.342 ( -0.000 5.475 0.000) 5.475 4.342 ( 0.000 5.258 -0.000) 5.258 4.342 ( 0.000 5.258 0.000) 5.258 4.438 ( -0.000 -0.229 0.000) 0.229 4.438 ( 0.000 -0.229 0.000) 0.229 4.502 ( 0.000 -0.536 0.000) 0.536 4.502 ( 0.000 -0.536 0.000) 0.536 4.670 ( -0.000 -0.022 0.000) 0.022 4.670 ( 0.000 -0.022 0.000) 0.022 4.688 ( 0.000 3.700 -0.000) 3.700 4.688 ( 0.000 3.700 0.000) 3.700 4.856 ( 0.000 -0.162 0.000) 0.162 4.856 ( 0.000 -0.162 0.000) 0.162 4.878 ( 0.000 -3.341 -0.000) 3.341 4.878 ( 0.000 -3.341 0.000) 3.341 5.087 ( 0.000 -0.824 0.000) 0.824 5.087 ( 0.000 -0.824 0.000) 0.824 5.158 ( 0.000 0.563 0.000) 0.563 5.158 ( 0.000 0.563 0.000) 0.563 5.373 ( 0.000 -3.085 0.000) 3.085 5.373 ( 0.000 -3.085 0.000) 3.085 5.449 ( 0.000 -3.073 0.000) 3.073 5.449 ( 0.000 -3.073 0.000) 3.073 5.776 ( 0.000 -6.579 -0.000) 6.579 5.776 ( 0.000 -6.579 0.000) 6.579 5.794 ( -0.000 -5.574 -0.000) 5.574 5.794 ( 0.000 -5.574 0.000) 5.574 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.000 16.750 -4.287) 17.290 1.185 ( 0.000 16.750 4.287) 17.290 1.261 ( 0.000 15.998 -3.273) 16.330 1.261 ( 0.000 15.998 3.273) 16.330 1.562 ( 0.000 10.131 -0.187) 10.132 1.562 ( 0.000 10.131 0.187) 10.132 1.641 ( 0.000 7.569 -2.691) 8.033 1.641 ( 0.000 7.569 2.691) 8.033 1.902 ( 0.000 6.781 -6.681) 9.519 1.902 ( 0.000 6.781 6.681) 9.519 1.992 ( 0.000 0.828 -7.249) 7.296 1.992 ( 0.000 0.828 7.249) 7.296 2.077 ( 0.000 4.706 -0.541) 4.737 2.077 ( 0.000 4.706 0.541) 4.737 2.109 ( 0.000 2.813 -2.724) 3.916 2.109 ( 0.000 2.813 2.724) 3.916 2.403 ( 0.000 1.406 -0.091) 1.409 2.403 ( 0.000 1.406 0.091) 1.409 2.479 ( 0.000 -1.318 -0.339) 1.361 2.479 ( 0.000 -1.318 0.339) 1.361 2.520 ( 0.000 -0.626 -1.526) 1.649 2.520 ( 0.000 -0.626 1.526) 1.649 2.578 ( 0.000 -1.246 -0.920) 1.549 2.578 ( 0.000 -1.246 0.920) 1.549 2.699 ( 0.000 5.146 -4.125) 6.595 2.699 ( 0.000 5.146 4.125) 6.595 2.804 ( 0.000 8.589 -1.051) 8.653 2.804 ( 0.000 8.589 1.051) 8.653 2.854 ( 0.000 9.699 -4.817) 10.829 2.854 ( 0.000 9.699 4.817) 10.829 2.941 ( 0.000 5.645 -4.011) 6.925 2.941 ( 0.000 5.645 4.011) 6.925 3.189 ( 0.000 3.373 -3.230) 4.670 3.189 ( 0.000 3.373 3.230) 4.670 3.753 ( 0.000 -1.786 -2.248) 2.871 3.753 ( 0.000 -1.786 2.248) 2.871 4.016 ( 0.000 0.392 -0.901) 0.983 4.016 ( 0.000 0.392 0.901) 0.983 4.120 ( 0.000 0.239 -1.325) 1.346 4.120 ( 0.000 0.239 1.325) 1.346 4.203 ( 0.000 1.996 -0.717) 2.121 4.203 ( 0.000 1.996 0.717) 2.121 4.239 ( 0.000 -2.513 -0.837) 2.649 4.239 ( 0.000 -2.513 0.837) 2.649 4.394 ( 0.000 4.330 -0.938) 4.430 4.394 ( 0.000 4.330 0.938) 4.430 4.433 ( 0.000 -1.864 -0.408) 1.908 4.433 ( 0.000 -1.864 0.408) 1.908 4.501 ( 0.000 4.445 -0.158) 4.448 4.501 ( 0.000 4.445 0.158) 4.448 4.549 ( 0.000 1.710 -0.456) 1.770 4.549 ( 0.000 1.710 0.456) 1.770 4.637 ( 0.000 1.204 -1.182) 1.687 4.637 ( 0.000 1.204 1.182) 1.687 4.695 ( 0.000 -1.396 -0.142) 1.403 4.695 ( 0.000 -1.396 0.142) 1.403 4.838 ( 0.000 -7.145 -2.617) 7.609 4.838 ( 0.000 -7.145 2.617) 7.609 5.054 ( 0.000 -1.396 -1.446) 2.010 5.054 ( 0.000 -1.396 1.446) 2.010 5.084 ( 0.000 -2.084 -2.576) 3.313 5.084 ( 0.000 -2.084 2.576) 3.313 5.237 ( 0.000 -0.988 -0.045) 0.989 5.237 ( 0.000 -0.988 0.045) 0.989 5.308 ( 0.000 0.376 -1.092) 1.155 5.308 ( 0.000 0.376 1.092) 1.155 5.391 ( 0.000 -1.563 -0.853) 1.780 5.391 ( 0.000 -1.563 0.853) 1.780 5.434 ( 0.000 -1.203 -1.672) 2.059 5.434 ( 0.000 -1.203 1.672) 2.059 5.540 ( 0.000 -2.408 -4.803) 5.373 5.540 ( 0.000 -2.408 4.803) 5.373 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 3.402 19.557 -3.310) 20.124 1.280 ( 3.402 19.557 3.310) 20.124 1.373 ( 5.835 11.047 -3.215) 12.900 1.373 ( 5.835 11.047 3.215) 12.900 1.514 ( 1.630 9.454 -2.355) 9.878 1.514 ( 1.630 9.454 2.355) 9.878 1.679 ( 0.683 10.989 -1.564) 11.121 1.679 ( 0.683 10.989 1.564) 11.121 1.897 ( 0.153 5.165 -6.784) 8.528 1.897 ( 0.153 5.165 6.784) 8.528 1.977 ( -0.923 1.212 -5.294) 5.509 1.977 ( -0.923 1.212 5.294) 5.509 2.090 ( 0.523 2.161 -3.526) 4.168 2.090 ( 0.523 2.161 3.526) 4.168 2.171 ( 5.736 2.473 -0.674) 6.283 2.171 ( 5.736 2.473 0.674) 6.283 2.320 ( -4.367 -0.534 -4.289) 6.144 2.320 ( -4.367 -0.534 4.289) 6.144 2.442 ( -2.001 3.685 -1.962) 4.630 2.442 ( -2.001 3.685 1.962) 4.630 2.567 ( 3.938 0.074 -2.447) 4.637 2.567 ( 3.938 0.074 2.447) 4.637 2.674 ( 2.742 2.534 -4.300) 5.695 2.674 ( 2.742 2.534 4.300) 5.695 2.718 ( 3.170 2.033 -0.710) 3.832 2.718 ( 3.170 2.033 0.710) 3.832 2.829 ( 0.886 3.220 -4.365) 5.496 2.829 ( 0.886 3.220 4.365) 5.496 2.887 ( 2.938 12.711 -1.240) 13.105 2.887 ( 2.938 12.711 1.240) 13.105 2.959 ( 3.755 4.100 -2.073) 5.933 2.959 ( 3.755 4.100 2.073) 5.933 3.130 ( -5.060 4.297 -3.158) 7.352 3.130 ( -5.060 4.297 3.158) 7.352 3.592 ( -14.427 -1.535 -1.869) 14.629 3.592 ( -14.427 -1.535 1.869) 14.629 4.030 ( 0.908 0.285 -0.709) 1.187 4.030 ( 0.908 0.285 0.709) 1.187 4.111 ( -0.428 1.186 -1.544) 1.993 4.111 ( -0.428 1.186 1.544) 1.993 4.192 ( -0.270 0.360 -0.296) 0.539 4.192 ( -0.270 0.360 0.296) 0.539 4.226 ( -0.781 -2.104 -1.011) 2.462 4.226 ( -0.781 -2.104 1.011) 2.462 4.398 ( -0.513 0.492 -0.202) 0.739 4.398 ( -0.513 0.492 0.202) 0.739 4.423 ( 0.230 2.934 -0.903) 3.078 4.423 ( 0.230 2.934 0.903) 3.078 4.474 ( -1.988 0.507 -1.623) 2.616 4.474 ( -1.988 0.507 1.623) 2.616 4.533 ( -1.189 2.812 -0.612) 3.113 4.533 ( -1.189 2.812 0.612) 3.113 4.635 ( 0.271 0.395 -0.604) 0.771 4.635 ( 0.271 0.395 0.604) 0.771 4.730 ( 1.672 0.627 -0.758) 1.940 4.730 ( 1.672 0.627 0.758) 1.940 4.790 ( -1.589 -5.683 -1.863) 6.188 4.790 ( -1.589 -5.683 1.863) 6.188 4.980 ( -5.356 0.260 -1.046) 5.463 4.980 ( -5.356 0.260 1.046) 5.463 5.062 ( 0.167 -0.599 -0.733) 0.961 5.062 ( 0.167 -0.599 0.733) 0.961 5.201 ( -2.807 -1.109 -0.264) 3.030 5.201 ( -2.807 -1.109 0.264) 3.030 5.329 ( 0.971 0.207 -0.639) 1.181 5.329 ( 0.971 0.207 0.639) 1.181 5.399 ( -0.296 -1.707 -0.300) 1.758 5.399 ( -0.296 -1.707 0.300) 1.758 5.556 ( 8.481 -3.460 -2.901) 9.608 5.556 ( 8.481 -3.460 2.901) 9.608 5.632 ( 5.263 -3.515 -3.298) 7.136 5.632 ( 5.263 -3.515 3.298) 7.136 ======================= Grid point 164 (54/63) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 15.723 0.000) 15.723 1.294 ( 0.000 15.723 0.000) 15.723 1.486 ( 0.000 11.015 -0.000) 11.015 1.486 ( -0.000 11.015 0.000) 11.015 1.498 ( -0.000 14.037 -0.000) 14.037 1.498 ( 0.000 14.037 0.000) 14.037 1.695 ( 0.000 10.584 0.000) 10.584 1.695 ( 0.000 10.584 0.000) 10.584 1.909 ( -0.000 3.476 -0.000) 3.476 1.909 ( 0.000 3.476 -0.000) 3.476 1.966 ( 0.000 1.983 0.000) 1.983 1.966 ( 0.000 1.983 0.000) 1.983 2.102 ( 0.000 -2.675 0.000) 2.675 2.102 ( -0.000 -2.675 0.000) 2.675 2.244 ( 0.000 2.529 0.000) 2.529 2.244 ( 0.000 2.529 -0.000) 2.529 2.304 ( 0.000 4.663 0.000) 4.663 2.304 ( -0.000 4.663 0.000) 4.663 2.398 ( 0.000 3.465 0.000) 3.465 2.398 ( 0.000 3.465 0.000) 3.465 2.653 ( -0.000 1.114 0.000) 1.114 2.653 ( 0.000 1.114 0.000) 1.114 2.664 ( -0.000 1.162 0.000) 1.162 2.664 ( 0.000 1.162 -0.000) 1.162 2.791 ( 0.000 6.179 0.000) 6.179 2.791 ( 0.000 6.179 0.000) 6.179 2.841 ( 0.000 5.195 -0.000) 5.195 2.841 ( 0.000 5.195 0.000) 5.195 2.967 ( 0.000 6.483 0.000) 6.483 2.967 ( -0.000 6.483 0.000) 6.483 2.989 ( 0.000 6.213 -0.000) 6.213 2.989 ( 0.000 6.213 0.000) 6.213 3.191 ( -0.000 -0.857 -0.000) 0.857 3.191 ( 0.000 -0.857 -0.000) 0.857 3.210 ( -0.000 1.265 0.000) 1.265 3.210 ( 0.000 1.265 0.000) 1.265 4.042 ( 0.000 0.049 0.000) 0.049 4.042 ( 0.000 0.049 0.000) 0.049 4.108 ( 0.000 1.758 0.000) 1.758 4.108 ( 0.000 1.758 0.000) 1.758 4.197 ( 0.000 -1.110 -0.000) 1.110 4.197 ( 0.000 -1.110 0.000) 1.110 4.214 ( 0.000 -1.157 0.000) 1.157 4.214 ( 0.000 -1.157 0.000) 1.157 4.382 ( 0.000 -1.683 -0.000) 1.683 4.382 ( 0.000 -1.683 0.000) 1.683 4.426 ( -0.000 1.372 0.000) 1.372 4.426 ( 0.000 1.372 0.000) 1.372 4.470 ( -0.000 4.066 -0.000) 4.066 4.470 ( 0.000 4.066 0.000) 4.066 4.496 ( 0.000 1.503 0.000) 1.503 4.496 ( 0.000 1.503 0.000) 1.503 4.651 ( -0.000 -0.960 0.000) 0.960 4.651 ( 0.000 -0.960 0.000) 0.960 4.714 ( 0.000 -1.509 -0.000) 1.509 4.714 ( 0.000 -1.509 0.000) 1.509 4.849 ( -0.000 0.799 -0.000) 0.799 4.849 ( -0.000 0.799 0.000) 0.799 4.867 ( 0.000 0.586 -0.000) 0.586 4.867 ( 0.000 0.586 0.000) 0.586 5.073 ( 0.000 -0.649 0.000) 0.649 5.073 ( 0.000 -0.649 0.000) 0.649 5.156 ( 0.000 -0.950 0.000) 0.950 5.156 ( 0.000 -0.950 0.000) 0.950 5.339 ( 0.000 -0.111 0.000) 0.111 5.339 ( 0.000 -0.111 0.000) 0.111 5.400 ( 0.000 -1.694 0.000) 1.694 5.400 ( 0.000 -1.694 0.000) 1.694 5.665 ( 0.000 -4.625 0.000) 4.625 5.665 ( 0.000 -4.625 0.000) 4.625 5.699 ( -0.000 -4.117 -0.000) 4.117 5.699 ( 0.000 -4.117 0.000) 4.117 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 9.889 -1.259) 9.969 1.431 ( 0.000 9.889 1.259) 9.969 1.623 ( 0.000 17.624 -7.731) 19.245 1.623 ( 0.000 17.624 7.731) 19.245 1.734 ( 0.000 7.809 -0.526) 7.827 1.734 ( 0.000 7.809 0.526) 7.827 1.812 ( 0.000 7.850 -0.784) 7.889 1.812 ( 0.000 7.850 0.784) 7.889 1.958 ( 0.000 -2.455 -9.730) 10.035 1.958 ( 0.000 -2.455 9.730) 10.035 2.011 ( 0.000 3.052 -3.149) 4.385 2.011 ( 0.000 3.052 3.149) 4.385 2.150 ( 0.000 1.895 -2.279) 2.964 2.150 ( 0.000 1.895 2.279) 2.964 2.178 ( 0.000 5.762 -1.073) 5.861 2.178 ( 0.000 5.762 1.073) 5.861 2.303 ( 0.000 -6.827 -2.787) 7.374 2.303 ( 0.000 -6.827 2.787) 7.374 2.442 ( 0.000 -2.494 -0.932) 2.662 2.442 ( 0.000 -2.494 0.932) 2.662 2.540 ( 0.000 -0.362 -3.267) 3.287 2.540 ( 0.000 -0.362 3.267) 3.287 2.559 ( 0.000 0.743 -0.371) 0.830 2.559 ( 0.000 0.743 0.371) 0.830 2.764 ( 0.000 2.282 -1.746) 2.874 2.764 ( 0.000 2.282 1.746) 2.874 2.838 ( 0.000 -0.535 -6.027) 6.051 2.838 ( 0.000 -0.535 6.027) 6.051 3.035 ( 0.000 3.045 -4.341) 5.302 3.035 ( 0.000 3.045 4.341) 5.302 3.197 ( 0.000 15.152 -2.593) 15.372 3.197 ( 0.000 15.152 2.593) 15.372 3.235 ( 0.000 1.500 -7.959) 8.100 3.235 ( 0.000 1.500 7.959) 8.100 3.737 ( 0.000 1.121 -2.107) 2.387 3.737 ( 0.000 1.121 2.107) 2.387 3.995 ( 0.000 -2.245 -1.320) 2.604 3.995 ( 0.000 -2.245 1.320) 2.604 4.145 ( 0.000 2.835 -0.622) 2.903 4.145 ( 0.000 2.835 0.622) 2.903 4.198 ( 0.000 -1.825 -1.234) 2.203 4.198 ( 0.000 -1.825 1.234) 2.203 4.241 ( 0.000 1.501 -0.259) 1.523 4.241 ( 0.000 1.501 0.259) 1.523 4.390 ( 0.000 -1.167 -0.656) 1.339 4.390 ( 0.000 -1.167 0.656) 1.339 4.485 ( 0.000 3.428 -1.298) 3.666 4.485 ( 0.000 3.428 1.298) 3.666 4.509 ( 0.000 -2.040 -2.450) 3.188 4.509 ( 0.000 -2.040 2.450) 3.188 4.587 ( 0.000 2.020 -1.250) 2.376 4.587 ( 0.000 2.020 1.250) 2.376 4.646 ( 0.000 0.196 -1.327) 1.341 4.646 ( 0.000 0.196 1.327) 1.341 4.695 ( 0.000 2.070 -1.630) 2.635 4.695 ( 0.000 2.070 1.630) 2.635 4.769 ( 0.000 -0.767 -1.654) 1.823 4.769 ( 0.000 -0.767 1.654) 1.823 5.011 ( 0.000 -2.616 -0.225) 2.626 5.011 ( 0.000 -2.616 0.225) 2.626 5.052 ( 0.000 -1.221 -0.361) 1.274 5.052 ( 0.000 -1.221 0.361) 1.274 5.220 ( 0.000 -0.656 -0.545) 0.853 5.220 ( 0.000 -0.656 0.545) 0.853 5.315 ( 0.000 0.070 -0.180) 0.193 5.315 ( 0.000 0.070 0.180) 0.193 5.365 ( 0.000 -0.994 -1.045) 1.442 5.365 ( 0.000 -0.994 1.045) 1.442 5.420 ( 0.000 -0.748 -1.325) 1.522 5.420 ( 0.000 -0.748 1.325) 1.522 5.496 ( 0.000 -2.306 -2.898) 3.704 5.496 ( 0.000 -2.306 2.898) 3.704 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 2.572 9.261 -0.505) 9.624 1.561 ( 2.572 9.261 0.505) 9.624 1.662 ( 3.533 16.340 -6.921) 18.094 1.662 ( 3.533 16.340 6.921) 18.094 1.687 ( 2.316 8.198 -2.635) 8.917 1.687 ( 2.316 8.198 2.635) 8.917 1.876 ( 2.462 7.454 -2.771) 8.325 1.876 ( 2.462 7.454 2.771) 8.325 1.964 ( 0.455 -1.230 -6.334) 6.468 1.964 ( 0.455 -1.230 6.334) 6.468 1.993 ( -1.170 3.609 -3.395) 5.091 1.993 ( -1.170 3.609 3.395) 5.091 2.126 ( -1.870 2.651 -0.413) 3.270 2.126 ( -1.870 2.651 0.413) 3.270 2.228 ( 5.549 3.455 -0.571) 6.562 2.228 ( 5.549 3.455 0.571) 6.562 2.282 ( -0.067 -1.677 -2.756) 3.227 2.282 ( -0.067 -1.677 2.756) 3.227 2.491 ( 0.840 -1.196 -0.184) 1.473 2.491 ( 0.840 -1.196 0.184) 1.473 2.533 ( 2.165 -1.137 -2.921) 3.809 2.533 ( 2.165 -1.137 2.921) 3.809 2.637 ( 5.772 -3.046 -3.267) 7.298 2.637 ( 5.772 -3.046 3.267) 7.298 2.741 ( -1.953 0.774 -1.088) 2.366 2.741 ( -1.953 0.774 1.088) 2.366 2.842 ( 0.084 -1.051 -6.638) 6.721 2.842 ( 0.084 -1.051 6.638) 6.721 3.016 ( -0.833 1.336 -2.158) 2.671 3.016 ( -0.833 1.336 2.158) 2.671 3.196 ( -1.907 7.957 -4.880) 9.527 3.196 ( -1.907 7.957 4.880) 9.527 3.242 ( 1.790 9.622 -3.296) 10.327 3.242 ( 1.790 9.622 3.296) 10.327 3.590 ( -12.507 2.649 -2.915) 13.113 3.590 ( -12.507 2.649 2.915) 13.113 4.005 ( 0.792 -2.064 -0.775) 2.343 4.005 ( 0.792 -2.064 0.775) 2.343 4.120 ( -1.966 0.309 -0.769) 2.134 4.120 ( -1.966 0.309 0.769) 2.134 4.188 ( 0.097 -0.561 -1.983) 2.063 4.188 ( 0.097 -0.561 1.983) 2.063 4.233 ( -0.564 1.902 -1.123) 2.279 4.233 ( -0.564 1.902 1.123) 2.279 4.378 ( -1.118 -0.558 -0.706) 1.435 4.378 ( -1.118 -0.558 0.706) 1.435 4.452 ( -2.955 -1.012 -2.125) 3.777 4.452 ( -2.955 -1.012 2.125) 3.777 4.502 ( 1.447 3.358 -1.593) 3.988 4.502 ( 1.447 3.358 1.593) 3.988 4.590 ( -1.189 2.221 -0.876) 2.667 4.590 ( -1.189 2.221 0.876) 2.667 4.654 ( 0.352 1.122 -0.690) 1.363 4.654 ( 0.352 1.122 0.690) 1.363 4.692 ( -0.485 -0.893 -0.652) 1.207 4.692 ( -0.485 -0.893 0.652) 1.207 4.769 ( 2.135 0.306 -0.820) 2.308 4.769 ( 2.135 0.306 0.820) 2.308 4.961 ( -3.608 -1.730 -0.242) 4.009 4.961 ( -3.608 -1.730 0.242) 4.009 5.048 ( 0.283 -0.763 -0.765) 1.117 5.048 ( 0.283 -0.763 0.765) 1.117 5.177 ( -3.066 -1.200 -1.049) 3.455 5.177 ( -3.066 -1.200 1.049) 3.455 5.345 ( 1.436 0.914 -0.710) 1.845 5.345 ( 1.436 0.914 0.710) 1.845 5.380 ( -0.257 -0.228 -0.844) 0.911 5.380 ( -0.257 -0.228 0.844) 0.911 5.500 ( 6.529 -2.655 -2.586) 7.508 5.500 ( 6.529 -2.655 2.586) 7.508 5.571 ( 4.576 -2.782 -1.647) 5.603 5.571 ( 4.576 -2.782 1.647) 5.603 ======================= Grid point 174 (57/63) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.000 9.710 0.000) 9.710 1.545 ( 0.000 9.710 0.000) 9.710 1.723 ( -0.000 7.881 -0.000) 7.881 1.723 ( 0.000 7.881 -0.000) 7.881 1.736 ( -0.000 13.344 0.000) 13.344 1.736 ( 0.000 13.344 0.000) 13.344 1.888 ( 0.000 7.905 -0.000) 7.905 1.888 ( 0.000 7.905 0.000) 7.905 1.966 ( 0.000 1.964 -0.000) 1.964 1.966 ( 0.000 1.964 -0.000) 1.964 1.997 ( 0.000 1.063 0.000) 1.063 1.997 ( 0.000 1.063 0.000) 1.063 2.103 ( 0.000 3.983 -0.000) 3.983 2.103 ( 0.000 3.983 0.000) 3.983 2.265 ( 0.000 0.382 0.000) 0.382 2.265 ( -0.000 0.382 0.000) 0.382 2.377 ( -0.000 3.411 0.000) 3.411 2.377 ( -0.000 3.411 0.000) 3.411 2.463 ( 0.000 2.461 0.000) 2.461 2.463 ( 0.000 2.461 0.000) 2.461 2.634 ( -0.000 -1.797 -0.000) 1.797 2.634 ( 0.000 -1.797 0.000) 1.797 2.655 ( 0.000 -1.081 -0.000) 1.081 2.655 ( 0.000 -1.081 0.000) 1.081 2.793 ( -0.000 -5.385 -0.000) 5.385 2.793 ( -0.000 -5.385 0.000) 5.385 2.814 ( 0.000 -3.024 -0.000) 3.024 2.814 ( 0.000 -3.024 0.000) 3.024 3.062 ( -0.000 -0.781 0.000) 0.781 3.062 ( 0.000 -0.781 -0.000) 0.781 3.085 ( -0.000 0.802 0.000) 0.802 3.085 ( -0.000 0.802 0.000) 0.802 3.314 ( -0.000 11.599 0.000) 11.599 3.314 ( 0.000 11.599 0.000) 11.599 3.339 ( -0.000 10.922 0.000) 10.922 3.339 ( 0.000 10.922 -0.000) 10.922 4.018 ( 0.000 -1.334 0.000) 1.334 4.018 ( 0.000 -1.334 0.000) 1.334 4.092 ( 0.000 -2.086 0.000) 2.086 4.092 ( 0.000 -2.086 0.000) 2.086 4.207 ( 0.000 0.955 -0.000) 0.955 4.207 ( 0.000 0.955 0.000) 0.955 4.213 ( -0.000 0.551 -0.000) 0.551 4.213 ( -0.000 0.551 0.000) 0.551 4.358 ( 0.000 0.364 0.000) 0.364 4.358 ( 0.000 0.364 0.000) 0.364 4.419 ( -0.000 -0.378 0.000) 0.378 4.419 ( 0.000 -0.378 0.000) 0.378 4.541 ( -0.000 2.872 -0.000) 2.872 4.541 ( 0.000 2.872 -0.000) 2.872 4.550 ( -0.000 2.826 0.000) 2.826 4.550 ( 0.000 2.826 0.000) 2.826 4.656 ( 0.000 1.475 -0.000) 1.475 4.656 ( 0.000 1.475 0.000) 1.475 4.682 ( 0.000 -0.934 -0.000) 0.934 4.682 ( 0.000 -0.934 0.000) 0.934 4.860 ( -0.000 -1.405 0.000) 1.405 4.860 ( -0.000 -1.405 0.000) 1.405 4.866 ( 0.000 0.263 -0.000) 0.263 4.866 ( 0.000 0.263 0.000) 0.263 5.062 ( -0.000 -0.505 0.000) 0.505 5.062 ( 0.000 -0.505 0.000) 0.505 5.127 ( 0.000 -1.838 -0.000) 1.838 5.127 ( 0.000 -1.838 0.000) 1.838 5.357 ( 0.000 1.514 -0.000) 1.514 5.357 ( 0.000 1.514 0.000) 1.514 5.382 ( 0.000 -0.285 0.000) 0.285 5.382 ( 0.000 -0.285 0.000) 0.285 5.590 ( 0.000 -3.201 -0.000) 3.201 5.590 ( 0.000 -3.201 0.000) 3.201 5.628 ( -0.000 -3.229 -0.000) 3.229 5.628 ( 0.000 -3.229 0.000) 3.229 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 4.682 -0.317) 4.693 1.578 ( 0.000 4.682 0.317) 4.693 1.800 ( 0.000 -0.213 -7.380) 7.383 1.800 ( 0.000 -0.213 7.380) 7.383 1.875 ( 0.000 -0.100 -0.554) 0.563 1.875 ( 0.000 -0.100 0.554) 0.563 1.888 ( 0.000 5.880 -2.393) 6.348 1.888 ( 0.000 5.880 2.393) 6.348 2.007 ( 0.000 7.805 -3.838) 8.698 2.007 ( 0.000 7.805 3.838) 8.698 2.058 ( 0.000 1.957 -1.476) 2.451 2.058 ( 0.000 1.957 1.476) 2.451 2.166 ( 0.000 1.663 -1.659) 2.349 2.166 ( 0.000 1.663 1.659) 2.349 2.235 ( 0.000 0.471 -0.905) 1.020 2.235 ( 0.000 0.471 0.905) 1.020 2.292 ( 0.000 3.145 -0.196) 3.151 2.292 ( 0.000 3.145 0.196) 3.151 2.408 ( 0.000 -0.842 -1.343) 1.585 2.408 ( 0.000 -0.842 1.343) 1.585 2.511 ( 0.000 -0.516 -2.018) 2.083 2.511 ( 0.000 -0.516 2.018) 2.083 2.578 ( 0.000 0.754 -1.287) 1.491 2.578 ( 0.000 0.754 1.287) 1.491 2.754 ( 0.000 -4.168 -5.152) 6.627 2.754 ( 0.000 -4.168 5.152) 6.627 2.828 ( 0.000 0.254 -1.885) 1.902 2.828 ( 0.000 0.254 1.885) 1.902 3.053 ( 0.000 -0.492 -2.589) 2.635 3.053 ( 0.000 -0.492 2.589) 2.635 3.246 ( 0.000 1.005 -9.492) 9.545 3.246 ( 0.000 1.005 9.492) 9.545 3.357 ( 0.000 0.964 -3.814) 3.934 3.357 ( 0.000 0.964 3.814) 3.934 3.835 ( 0.000 7.457 -1.738) 7.657 3.835 ( 0.000 7.457 1.738) 7.657 3.950 ( 0.000 -1.686 -0.927) 1.924 3.950 ( 0.000 -1.686 0.927) 1.924 4.132 ( 0.000 -2.844 -2.357) 3.694 4.132 ( 0.000 -2.844 2.357) 3.694 4.238 ( 0.000 3.768 -0.935) 3.882 4.238 ( 0.000 3.768 0.935) 3.882 4.275 ( 0.000 2.053 -0.715) 2.174 4.275 ( 0.000 2.053 0.715) 2.174 4.387 ( 0.000 0.685 -0.476) 0.834 4.387 ( 0.000 0.685 0.476) 0.834 4.487 ( 0.000 0.645 -1.710) 1.828 4.487 ( 0.000 0.645 1.710) 1.828 4.538 ( 0.000 1.396 -0.881) 1.651 4.538 ( 0.000 1.396 0.881) 1.651 4.600 ( 0.000 -1.163 -1.547) 1.935 4.600 ( 0.000 -1.163 1.547) 1.935 4.646 ( 0.000 -0.048 -1.163) 1.164 4.646 ( 0.000 -0.048 1.163) 1.164 4.746 ( 0.000 1.192 -1.040) 1.582 4.746 ( 0.000 1.192 1.040) 1.582 4.789 ( 0.000 3.936 -0.967) 4.053 4.789 ( 0.000 3.936 0.967) 4.053 4.956 ( 0.000 -3.063 -0.632) 3.128 4.956 ( 0.000 -3.063 0.632) 3.128 5.038 ( 0.000 -0.125 -1.360) 1.365 5.038 ( 0.000 -0.125 1.360) 1.365 5.208 ( 0.000 -0.766 -1.272) 1.485 5.208 ( 0.000 -0.766 1.272) 1.485 5.307 ( 0.000 -0.692 -0.572) 0.898 5.307 ( 0.000 -0.692 0.572) 0.898 5.346 ( 0.000 -1.609 -2.093) 2.640 5.346 ( 0.000 -1.609 2.093) 2.640 5.401 ( 0.000 -0.226 -1.084) 1.108 5.401 ( 0.000 -0.226 1.084) 1.108 5.455 ( 0.000 -1.818 -0.647) 1.930 5.455 ( 0.000 -1.818 0.647) 1.930 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.25 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 2.830 3.571 -0.418) 4.576 1.694 ( 2.830 3.571 0.418) 4.576 1.789 ( 0.178 2.007 -3.081) 3.681 1.789 ( 0.178 2.007 3.081) 3.681 1.879 ( 3.151 4.588 -0.499) 5.588 1.879 ( 3.151 4.588 0.499) 5.588 1.943 ( 2.473 0.981 -0.973) 2.833 1.943 ( 2.473 0.981 0.973) 2.833 2.015 ( 0.841 6.510 -3.252) 7.325 2.015 ( 0.841 6.510 3.252) 7.325 2.047 ( -0.414 1.924 -2.504) 3.185 2.047 ( -0.414 1.924 2.504) 3.185 2.192 ( 1.924 4.231 -1.554) 4.901 2.192 ( 1.924 4.231 1.554) 4.901 2.267 ( 2.204 0.620 -0.450) 2.333 2.267 ( 2.204 0.620 0.450) 2.333 2.319 ( 4.907 2.996 -1.397) 5.917 2.319 ( 4.907 2.996 1.397) 5.917 2.439 ( 2.243 -1.834 -0.794) 3.004 2.439 ( 2.243 -1.834 0.794) 3.004 2.514 ( 0.748 -0.577 -1.958) 2.174 2.514 ( 0.748 -0.577 1.958) 2.174 2.598 ( 1.725 -0.876 -2.131) 2.879 2.598 ( 1.725 -0.876 2.131) 2.879 2.724 ( -2.554 -3.401 -3.373) 5.428 2.724 ( -2.554 -3.401 3.373) 5.428 2.823 ( -0.830 -0.026 -2.673) 2.799 2.823 ( -0.830 -0.026 2.673) 2.799 3.006 ( -2.199 -1.510 -0.736) 2.767 3.006 ( -2.199 -1.510 0.736) 2.767 3.236 ( -6.531 -0.507 -6.422) 9.173 3.236 ( -6.531 -0.507 6.422) 9.173 3.366 ( 4.330 1.706 -3.450) 5.793 3.366 ( 4.330 1.706 3.450) 5.793 3.712 ( -9.373 6.758 -0.900) 11.590 3.712 ( -9.373 6.758 0.900) 11.590 3.982 ( 2.123 0.564 -0.392) 2.232 3.982 ( 2.123 0.564 0.392) 2.232 4.106 ( -2.215 -1.528 -0.941) 2.851 4.106 ( -2.215 -1.528 0.941) 2.851 4.208 ( -0.905 2.233 -1.059) 2.632 4.208 ( -0.905 2.233 1.059) 2.632 4.264 ( -1.651 0.790 -1.122) 2.147 4.264 ( -1.651 0.790 1.122) 2.147 4.391 ( 0.346 1.473 -0.558) 1.613 4.391 ( 0.346 1.473 0.558) 1.613 4.453 ( -2.128 1.282 -1.783) 3.058 4.453 ( -2.128 1.282 1.783) 3.058 4.552 ( 1.220 1.538 -1.025) 2.215 4.552 ( 1.220 1.538 1.025) 2.215 4.618 ( -0.304 0.774 -0.755) 1.124 4.618 ( -0.304 0.774 0.755) 1.124 4.647 ( 1.606 -0.811 -1.523) 2.357 4.647 ( 1.606 -0.811 1.523) 2.357 4.733 ( -0.447 2.147 -0.724) 2.309 4.733 ( -0.447 2.147 0.724) 2.309 4.771 ( -0.398 1.447 -0.403) 1.554 4.771 ( -0.398 1.447 0.403) 1.554 4.918 ( -2.842 -2.671 -0.442) 3.925 4.918 ( -2.842 -2.671 0.442) 3.925 5.036 ( 0.285 -0.376 -1.178) 1.269 5.036 ( 0.285 -0.376 1.178) 1.269 5.154 ( -3.707 -1.235 -1.376) 4.142 5.154 ( -3.707 -1.235 1.376) 4.142 5.355 ( 2.336 0.316 -0.149) 2.362 5.355 ( 2.336 0.316 0.149) 2.362 5.388 ( 0.312 0.475 -1.007) 1.157 5.388 ( 0.312 0.475 1.007) 1.157 5.448 ( 5.625 -2.116 -1.801) 6.274 5.448 ( 5.625 -2.116 1.801) 6.274 5.521 ( 4.213 -2.284 -0.904) 4.876 5.521 ( 4.213 -2.284 0.904) 4.876 ======================= Grid point 184 (60/63) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 5.460 0.000) 5.460 1.692 ( 0.000 5.460 0.000) 5.460 1.795 ( -0.000 -0.094 -0.000) 0.094 1.795 ( 0.000 -0.094 0.000) 0.094 1.934 ( 0.000 4.541 -0.000) 4.541 1.934 ( -0.000 4.541 0.000) 4.541 1.952 ( 0.000 1.826 0.000) 1.826 1.952 ( -0.000 1.826 0.000) 1.826 2.028 ( 0.000 3.766 -0.000) 3.766 2.028 ( 0.000 3.766 0.000) 3.766 2.046 ( 0.000 3.469 0.000) 3.469 2.046 ( 0.000 3.469 0.000) 3.469 2.217 ( 0.000 5.760 -0.000) 5.760 2.217 ( 0.000 5.760 0.000) 5.760 2.282 ( 0.000 1.184 0.000) 1.184 2.282 ( 0.000 1.184 0.000) 1.184 2.461 ( -0.000 5.149 -0.000) 5.149 2.461 ( -0.000 5.149 -0.000) 5.149 2.466 ( -0.000 -1.572 0.000) 1.572 2.466 ( 0.000 -1.572 0.000) 1.572 2.588 ( -0.000 -4.912 0.000) 4.912 2.588 ( 0.000 -4.912 0.000) 4.912 2.642 ( -0.000 2.558 0.000) 2.558 2.642 ( 0.000 2.558 0.000) 2.558 2.727 ( -0.000 -0.891 -0.000) 0.891 2.727 ( -0.000 -0.891 0.000) 0.891 2.734 ( 0.000 -4.457 -0.000) 4.457 2.734 ( 0.000 -4.457 0.000) 4.457 3.013 ( -0.000 -3.208 0.000) 3.208 3.013 ( 0.000 -3.208 0.000) 3.208 3.040 ( -0.000 -3.944 0.000) 3.944 3.040 ( 0.000 -3.944 0.000) 3.944 3.498 ( -0.000 5.956 0.000) 5.956 3.498 ( 0.000 5.956 0.000) 5.956 3.516 ( -0.000 5.582 0.000) 5.582 3.516 ( 0.000 5.582 0.000) 5.582 4.021 ( 0.000 1.690 0.000) 1.690 4.021 ( 0.000 1.690 0.000) 1.690 4.064 ( 0.000 -0.498 0.000) 0.498 4.064 ( 0.000 -0.498 0.000) 0.498 4.217 ( 0.000 0.216 -0.000) 0.216 4.217 ( 0.000 0.216 0.000) 0.216 4.222 ( -0.000 0.253 -0.000) 0.253 4.222 ( -0.000 0.253 0.000) 0.253 4.397 ( -0.000 2.720 -0.000) 2.720 4.397 ( 0.000 2.720 0.000) 2.720 4.427 ( -0.000 0.905 -0.000) 0.905 4.427 ( 0.000 0.905 0.000) 0.905 4.584 ( -0.000 1.523 -0.000) 1.523 4.584 ( 0.000 1.523 -0.000) 1.523 4.591 ( -0.000 1.191 0.000) 1.191 4.591 ( 0.000 1.191 0.000) 1.191 4.685 ( 0.000 1.389 -0.000) 1.389 4.685 ( 0.000 1.389 0.000) 1.389 4.707 ( -0.000 3.633 -0.000) 3.633 4.707 ( -0.000 3.633 0.000) 3.633 4.814 ( -0.000 -3.086 0.000) 3.086 4.814 ( 0.000 -3.086 0.000) 3.086 4.851 ( 0.000 -1.822 -0.000) 1.822 4.851 ( 0.000 -1.822 0.000) 1.822 5.054 ( -0.000 -0.191 0.000) 0.191 5.054 ( -0.000 -0.191 0.000) 0.191 5.089 ( 0.000 -1.860 -0.000) 1.860 5.089 ( 0.000 -1.860 0.000) 1.860 5.385 ( 0.000 0.495 -0.000) 0.495 5.385 ( 0.000 0.495 0.000) 0.495 5.386 ( -0.000 1.162 -0.000) 1.162 5.386 ( -0.000 1.162 0.000) 1.162 5.538 ( 0.000 -1.945 -0.000) 1.945 5.538 ( 0.000 -1.945 0.000) 1.945 5.568 ( -0.000 -2.833 -0.000) 2.833 5.568 ( 0.000 -2.833 0.000) 2.833 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 -0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 -0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 -0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 -0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.001 -0.000) 0.001 2.231 ( 0.000 -0.001 0.000) 0.001 2.231 ( 0.000 -0.000 -0.000) 0.000 2.317 ( 0.000 0.000 -0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 -0.000 -0.000) 0.000 2.617 ( 0.000 0.000 -0.000) 0.000 2.662 ( 0.000 0.000 -0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 -0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 -0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 -0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 -0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 -0.000) 0.000 4.280 ( 0.000 0.000 -0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 -0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 -0.000 -0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 -0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 -0.000 -0.000) 0.000 4.882 ( 0.000 0.000 -0.000) 0.000 4.885 ( 0.000 -0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 -0.000) 0.000 5.419 ( 0.000 0.000 -0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 194 (62/63) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 3.435 0.000 -0.000) 3.435 1.717 ( 3.435 0.000 0.000) 3.435 1.794 ( 0.209 0.000 -0.000) 0.209 1.794 ( 0.209 0.000 0.000) 0.209 1.936 ( -1.083 0.000 -0.000) 1.083 1.936 ( -1.083 0.000 0.000) 1.083 1.952 ( 7.320 0.000 -0.000) 7.320 1.952 ( 7.320 0.000 0.000) 7.320 2.052 ( 0.172 0.000 -0.000) 0.172 2.052 ( 0.172 0.000 0.000) 0.172 2.097 ( -0.408 0.000 -0.000) 0.408 2.097 ( -0.408 0.000 0.000) 0.408 2.259 ( 3.436 0.000 -0.000) 3.436 2.259 ( 3.436 0.000 0.000) 3.436 2.262 ( 1.746 -0.000 -0.000) 1.746 2.262 ( 1.746 -0.000 0.000) 1.746 2.342 ( 4.638 0.000 -0.000) 4.638 2.342 ( 4.638 0.000 0.000) 4.638 2.416 ( 2.001 0.000 0.000) 2.001 2.416 ( 2.001 0.000 0.000) 2.001 2.532 ( 0.613 0.000 0.000) 0.613 2.532 ( 0.613 0.000 0.000) 0.613 2.620 ( 0.107 -0.000 -0.000) 0.107 2.620 ( 0.107 0.000 -0.000) 0.107 2.638 ( -1.394 0.000 0.000) 1.394 2.638 ( -1.394 0.000 0.000) 1.394 2.827 ( -0.619 0.000 0.000) 0.619 2.827 ( -0.619 0.000 0.000) 0.619 2.986 ( -2.967 0.000 0.000) 2.967 2.986 ( -2.967 0.000 0.000) 2.967 3.226 ( -10.281 0.000 -0.000) 10.281 3.226 ( -10.281 0.000 0.000) 10.281 3.374 ( 7.288 0.000 -0.000) 7.288 3.374 ( 7.288 0.000 0.000) 7.288 3.774 ( -9.197 0.000 -0.000) 9.197 3.774 ( -9.197 0.000 0.000) 9.197 4.009 ( 2.535 0.000 -0.000) 2.535 4.009 ( 2.535 0.000 -0.000) 2.535 4.083 ( -0.953 0.000 -0.000) 0.953 4.083 ( -0.953 0.000 0.000) 0.953 4.243 ( -2.320 0.000 0.000) 2.320 4.243 ( -2.320 0.000 0.000) 2.320 4.262 ( -2.338 -0.000 -0.000) 2.338 4.262 ( -2.338 0.000 0.000) 2.338 4.408 ( 0.815 0.000 -0.000) 0.815 4.408 ( 0.815 0.000 -0.000) 0.815 4.479 ( -2.576 0.000 0.000) 2.576 4.479 ( -2.576 0.000 0.000) 2.576 4.565 ( 1.264 0.000 0.000) 1.264 4.565 ( 1.264 0.000 0.000) 1.264 4.628 ( 5.205 0.000 0.000) 5.205 4.628 ( 5.205 0.000 0.000) 5.205 4.633 ( -1.147 0.000 -0.000) 1.147 4.633 ( -1.147 0.000 -0.000) 1.147 4.735 ( -0.272 0.000 0.000) 0.272 4.735 ( -0.272 0.000 0.000) 0.272 4.842 ( -3.038 -0.000 -0.000) 3.038 4.842 ( -3.038 0.000 0.000) 3.038 4.857 ( -2.291 0.000 0.000) 2.291 4.857 ( -2.291 0.000 0.000) 2.291 5.034 ( 0.064 0.000 0.000) 0.064 5.034 ( 0.064 0.000 0.000) 0.064 5.137 ( -3.905 0.000 0.000) 3.905 5.137 ( -3.905 0.000 0.000) 3.905 5.364 ( 2.139 0.000 0.000) 2.139 5.364 ( 2.139 0.000 0.000) 2.139 5.379 ( 3.605 0.000 0.000) 3.605 5.379 ( 3.605 0.000 -0.000) 3.605 5.437 ( 2.954 0.000 0.000) 2.954 5.437 ( 2.954 0.000 0.000) 2.954 5.492 ( 4.348 0.000 0.000) 4.348 5.492 ( 4.348 0.000 0.000) 4.348 ======================= Grid point 198 (63/63) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -0.774 -2.191 -0.000) 2.324 1.765 ( -0.774 -2.191 0.000) 2.324 1.765 ( 0.774 2.191 0.000) 2.324 1.765 ( 0.774 2.191 0.000) 2.324 1.968 ( -2.730 -0.230 -0.000) 2.739 1.968 ( -2.730 -0.230 0.000) 2.739 1.968 ( 2.730 0.230 -0.000) 2.739 1.968 ( 2.730 0.230 0.000) 2.739 2.082 ( -1.189 -0.009 -0.000) 1.189 2.082 ( -1.189 -0.009 0.000) 1.189 2.082 ( 1.189 0.009 0.000) 1.189 2.082 ( 1.189 0.009 0.000) 1.189 2.286 ( -0.052 -1.240 0.000) 1.242 2.286 ( -0.052 -1.240 0.000) 1.242 2.286 ( 0.052 1.240 -0.000) 1.242 2.286 ( 0.052 1.240 0.000) 1.242 2.471 ( -0.645 -2.518 0.000) 2.600 2.471 ( -0.645 -2.518 0.000) 2.600 2.471 ( 0.645 2.518 0.000) 2.600 2.471 ( 0.645 2.518 0.000) 2.600 2.611 ( -0.276 -5.784 0.000) 5.790 2.611 ( -0.276 -5.784 0.000) 5.790 2.611 ( 0.276 5.784 -0.000) 5.791 2.611 ( 0.276 5.784 0.000) 5.791 2.714 ( -12.362 -0.340 -0.000) 12.367 2.714 ( -12.362 -0.340 0.000) 12.367 2.714 ( 12.362 0.340 0.000) 12.367 2.714 ( 12.362 0.340 0.000) 12.367 2.980 ( -4.748 -0.301 0.000) 4.757 2.980 ( -4.748 -0.301 -0.000) 4.757 2.980 ( 4.748 0.301 -0.000) 4.757 2.980 ( 4.748 0.301 0.000) 4.757 3.558 ( -8.957 -0.094 0.000) 8.958 3.558 ( -8.957 -0.094 0.000) 8.958 3.558 ( 8.957 0.094 0.000) 8.958 3.558 ( 8.957 0.094 -0.000) 8.958 4.056 ( -0.922 -0.851 0.000) 1.255 4.056 ( -0.922 -0.851 0.000) 1.255 4.056 ( 0.922 0.851 -0.000) 1.255 4.056 ( 0.922 0.851 0.000) 1.255 4.221 ( -0.571 -0.136 -0.000) 0.587 4.221 ( -0.571 -0.136 0.000) 0.587 4.221 ( 0.571 0.136 0.000) 0.587 4.221 ( 0.571 0.136 0.000) 0.587 4.434 ( -1.130 -0.439 -0.000) 1.212 4.434 ( -1.130 -0.439 0.000) 1.212 4.434 ( 1.130 0.439 0.000) 1.212 4.434 ( 1.130 0.439 0.000) 1.212 4.600 ( -1.658 -0.032 -0.000) 1.659 4.600 ( -1.658 -0.032 -0.000) 1.659 4.600 ( 1.658 0.032 -0.000) 1.659 4.600 ( 1.658 0.032 0.000) 1.659 4.736 ( -0.624 -3.078 0.000) 3.141 4.736 ( -0.624 -3.078 0.000) 3.141 4.736 ( 0.624 3.078 0.000) 3.141 4.736 ( 0.624 3.078 0.000) 3.141 4.795 ( -0.113 -3.484 -0.000) 3.486 4.795 ( -0.113 -3.484 0.000) 3.486 4.795 ( 0.113 3.484 0.000) 3.486 4.795 ( 0.113 3.484 -0.000) 3.486 5.060 ( -1.921 -0.576 0.000) 2.006 5.060 ( -1.921 -0.576 0.000) 2.006 5.060 ( 1.921 0.576 0.000) 2.006 5.060 ( 1.921 0.576 0.000) 2.006 5.395 ( -0.520 -0.159 0.000) 0.544 5.395 ( -0.520 -0.159 0.000) 0.544 5.395 ( 0.520 0.159 0.000) 0.544 5.395 ( 0.520 0.159 0.000) 0.544 5.526 ( -1.464 -0.699 0.000) 1.623 5.526 ( -1.464 -0.699 0.000) 1.623 5.526 ( 1.464 0.699 0.000) 1.623 5.526 ( 1.464 0.699 0.000) 1.623 =================== 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 3/13824 10.0 118.098 285.303 177.118 0.000 0.000 -0.000 3/13824 20.0 25.439 87.114 35.623 0.000 0.000 0.000 3/13824 30.0 11.555 41.350 14.948 0.000 0.000 0.000 3/13824 40.0 7.210 24.944 8.748 0.000 0.000 0.000 3/13824 50.0 5.252 17.350 6.038 0.000 0.000 0.000 3/13824 60.0 4.168 13.203 4.586 0.000 0.000 0.000 3/13824 70.0 3.480 10.652 3.699 0.000 0.000 0.000 3/13824 80.0 3.003 8.941 3.105 0.000 0.000 0.000 3/13824 90.0 2.650 7.718 2.680 0.000 0.000 0.000 3/13824 100.0 2.377 6.800 2.361 0.000 0.000 0.000 3/13824 110.0 2.157 6.085 2.113 0.000 0.000 0.000 3/13824 120.0 1.977 5.511 1.914 0.000 0.000 0.000 3/13824 130.0 1.825 5.040 1.750 0.000 0.000 0.000 3/13824 140.0 1.696 4.646 1.613 0.000 0.000 0.000 3/13824 150.0 1.585 4.312 1.497 0.000 0.000 0.000 3/13824 160.0 1.487 4.023 1.397 0.000 0.000 0.000 3/13824 170.0 1.401 3.772 1.309 0.000 0.000 0.000 3/13824 180.0 1.325 3.552 1.233 0.000 0.000 0.000 3/13824 190.0 1.257 3.356 1.165 0.000 0.000 0.000 3/13824 200.0 1.195 3.181 1.104 0.000 0.000 0.000 3/13824 210.0 1.139 3.024 1.049 0.000 0.000 0.000 3/13824 220.0 1.089 2.882 1.000 0.000 0.000 0.000 3/13824 230.0 1.042 2.753 0.955 0.000 0.000 0.000 3/13824 240.0 1.000 2.635 0.914 0.000 0.000 0.000 3/13824 250.0 0.961 2.527 0.877 0.000 0.000 0.000 3/13824 260.0 0.924 2.428 0.842 0.000 0.000 0.000 3/13824 270.0 0.891 2.336 0.810 0.000 0.000 0.000 3/13824 280.0 0.860 2.252 0.781 0.000 0.000 0.000 3/13824 290.0 0.831 2.173 0.753 0.000 0.000 0.000 3/13824 300.0 0.803 2.099 0.728 0.000 0.000 0.000 3/13824 310.0 0.778 2.031 0.704 0.000 0.000 0.000 3/13824 320.0 0.754 1.966 0.682 0.000 0.000 0.000 3/13824 330.0 0.732 1.906 0.661 0.000 0.000 0.000 3/13824 340.0 0.710 1.850 0.641 0.000 0.000 0.000 3/13824 350.0 0.691 1.796 0.623 0.000 0.000 0.000 3/13824 360.0 0.672 1.746 0.605 0.000 0.000 0.000 3/13824 370.0 0.654 1.698 0.589 0.000 0.000 0.000 3/13824 380.0 0.637 1.653 0.573 0.000 0.000 0.000 3/13824 390.0 0.621 1.611 0.558 0.000 0.000 0.000 3/13824 400.0 0.606 1.570 0.544 0.000 0.000 0.000 3/13824 410.0 0.591 1.532 0.531 0.000 0.000 0.000 3/13824 420.0 0.577 1.495 0.518 0.000 0.000 0.000 3/13824 430.0 0.564 1.460 0.506 0.000 0.000 0.000 3/13824 440.0 0.551 1.427 0.494 0.000 0.000 0.000 3/13824 450.0 0.539 1.395 0.483 0.000 0.000 0.000 3/13824 460.0 0.528 1.364 0.473 0.000 0.000 0.000 3/13824 470.0 0.517 1.335 0.463 0.000 0.000 0.000 3/13824 480.0 0.506 1.307 0.453 0.000 0.000 0.000 3/13824 490.0 0.496 1.281 0.444 0.000 0.000 0.000 3/13824 500.0 0.486 1.255 0.435 0.000 0.000 0.000 3/13824 510.0 0.477 1.230 0.426 0.000 0.000 0.000 3/13824 520.0 0.467 1.207 0.418 0.000 0.000 0.000 3/13824 530.0 0.459 1.184 0.410 0.000 0.000 0.000 3/13824 540.0 0.450 1.162 0.403 0.000 0.000 0.000 3/13824 550.0 0.442 1.141 0.395 0.000 0.000 0.000 3/13824 560.0 0.434 1.120 0.388 0.000 0.000 0.000 3/13824 570.0 0.427 1.101 0.381 0.000 0.000 0.000 3/13824 580.0 0.420 1.082 0.375 0.000 0.000 0.000 3/13824 590.0 0.413 1.063 0.368 0.000 0.000 0.000 3/13824 600.0 0.406 1.046 0.362 0.000 0.000 0.000 3/13824 610.0 0.399 1.028 0.356 0.000 0.000 0.000 3/13824 620.0 0.393 1.012 0.350 0.000 0.000 0.000 3/13824 630.0 0.387 0.996 0.345 0.000 0.000 0.000 3/13824 640.0 0.381 0.980 0.339 0.000 0.000 0.000 3/13824 650.0 0.375 0.965 0.334 0.000 0.000 0.000 3/13824 660.0 0.369 0.950 0.329 0.000 0.000 0.000 3/13824 670.0 0.364 0.936 0.324 0.000 0.000 0.000 3/13824 680.0 0.359 0.923 0.319 0.000 0.000 0.000 3/13824 690.0 0.353 0.909 0.315 0.000 0.000 0.000 3/13824 700.0 0.348 0.896 0.310 0.000 0.000 0.000 3/13824 710.0 0.344 0.884 0.306 0.000 0.000 0.000 3/13824 720.0 0.339 0.871 0.302 0.000 0.000 0.000 3/13824 730.0 0.334 0.859 0.298 0.000 0.000 0.000 3/13824 740.0 0.330 0.848 0.294 0.000 0.000 0.000 3/13824 750.0 0.325 0.836 0.290 0.000 0.000 0.000 3/13824 760.0 0.321 0.825 0.286 0.000 0.000 0.000 3/13824 770.0 0.317 0.815 0.282 0.000 0.000 0.000 3/13824 780.0 0.313 0.804 0.279 0.000 0.000 0.000 3/13824 790.0 0.309 0.794 0.275 0.000 0.000 0.000 3/13824 800.0 0.305 0.784 0.272 0.000 0.000 0.000 3/13824 810.0 0.301 0.775 0.268 0.000 0.000 0.000 3/13824 820.0 0.298 0.765 0.265 0.000 0.000 0.000 3/13824 830.0 0.294 0.756 0.262 0.000 0.000 0.000 3/13824 840.0 0.291 0.747 0.259 0.000 0.000 0.000 3/13824 850.0 0.287 0.738 0.256 0.000 0.000 0.000 3/13824 860.0 0.284 0.730 0.253 0.000 0.000 0.000 3/13824 870.0 0.281 0.721 0.250 0.000 0.000 0.000 3/13824 880.0 0.278 0.713 0.247 0.000 0.000 0.000 3/13824 890.0 0.275 0.705 0.244 0.000 0.000 0.000 3/13824 900.0 0.272 0.697 0.241 0.000 0.000 0.000 3/13824 910.0 0.269 0.689 0.239 0.000 0.000 0.000 3/13824 920.0 0.266 0.682 0.236 0.000 0.000 0.000 3/13824 930.0 0.263 0.675 0.234 0.000 0.000 0.000 3/13824 940.0 0.260 0.668 0.231 0.000 0.000 0.000 3/13824 950.0 0.257 0.660 0.229 0.000 0.000 0.000 3/13824 960.0 0.255 0.654 0.226 0.000 0.000 0.000 3/13824 970.0 0.252 0.647 0.224 0.000 0.000 0.000 3/13824 980.0 0.250 0.640 0.222 0.000 0.000 0.000 3/13824 990.0 0.247 0.634 0.219 0.000 0.000 0.000 3/13824 1000.0 0.245 0.628 0.217 0.000 0.000 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m4124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:21:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|