----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:39:18]------------------------- 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 9.808648220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.877096289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160826840000000 Atomic positions (fractional): *1 B 0.72906774592660 0.75000000000000 0.32712628299223 10.811 2 B 0.27093225407340 0.25000000000000 0.67287371700777 10.811 3 B 0.22906774592660 0.75000000000000 0.17287371700777 10.811 4 B 0.77093225407340 0.25000000000000 0.82712628299223 10.811 *5 N 0.64704848701405 0.75000000000000 0.43457306226218 14.007 6 N 0.35295151298595 0.25000000000000 0.56542693773782 14.007 7 N 0.14704848701405 0.75000000000000 0.06542693773782 14.007 *8 N 0.18214384075391 0.25000000000000 0.77248188412798 14.007 9 N 0.31785615924609 0.75000000000000 0.27248188412798 14.007 10 N 0.68214384075391 0.25000000000000 0.72751811587202 14.007 11 N 0.81785615924609 0.75000000000000 0.22751811587202 14.007 12 N 0.85295151298595 0.25000000000000 0.93457306226218 14.007 *13 F 0.54622724236778 0.25000000000000 0.10114463689778 18.998 14 F 0.04622724236778 0.25000000000000 0.39885536310222 18.998 15 F 0.45377275763222 0.75000000000000 0.89885536310222 18.998 16 F 0.95377275763222 0.75000000000000 0.60114463689778 18.998 *17 Sr 0.67722216449494 0.75000000000000 0.01972756850999 87.620 18 Sr 0.82277783550506 0.25000000000000 0.51972756850999 87.620 19 Sr 0.17722216449494 0.75000000000000 0.48027243149001 87.620 20 Sr 0.32277783550506 0.25000000000000 0.98027243149001 87.620 *21 Sr 0.52571683595340 0.75000000000000 0.66119539548177 87.620 22 Sr 0.47428316404660 0.25000000000000 0.33880460451823 87.620 23 Sr 0.02571683595340 0.75000000000000 0.83880460451823 87.620 24 Sr 0.97428316404660 0.25000000000000 0.16119539548177 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.808648220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.877096289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160826840000000 Atomic positions (fractional): *1 B 0.72906774592660 0.75000000000000 0.32712628299223 10.811 > 1 2 B 0.27093225407340 0.25000000000000 0.67287371700777 10.811 > 2 3 B 0.22906774592660 0.75000000000000 0.17287371700777 10.811 > 3 4 B 0.77093225407340 0.25000000000000 0.82712628299223 10.811 > 4 *5 N 0.64704848701405 0.75000000000000 0.43457306226218 14.007 > 5 6 N 0.35295151298595 0.25000000000000 0.56542693773782 14.007 > 6 7 N 0.14704848701405 0.75000000000000 0.06542693773782 14.007 > 7 *8 N 0.18214384075391 0.25000000000000 0.77248188412798 14.007 > 8 9 N 0.31785615924609 0.75000000000000 0.27248188412798 14.007 > 9 10 N 0.68214384075391 0.25000000000000 0.72751811587202 14.007 > 10 11 N 0.81785615924609 0.75000000000000 0.22751811587202 14.007 > 11 12 N 0.85295151298595 0.25000000000000 0.93457306226218 14.007 > 12 *13 F 0.54622724236778 0.25000000000000 0.10114463689778 18.998 > 13 14 F 0.04622724236778 0.25000000000000 0.39885536310222 18.998 > 14 15 F 0.45377275763222 0.75000000000000 0.89885536310222 18.998 > 15 16 F 0.95377275763222 0.75000000000000 0.60114463689778 18.998 > 16 *17 Sr 0.67722216449494 0.75000000000000 0.01972756850999 87.620 > 17 18 Sr 0.82277783550506 0.25000000000000 0.51972756850999 87.620 > 18 19 Sr 0.17722216449494 0.75000000000000 0.48027243149001 87.620 > 19 20 Sr 0.32277783550506 0.25000000000000 0.98027243149001 87.620 > 20 *21 Sr 0.52571683595340 0.75000000000000 0.66119539548177 87.620 > 21 22 Sr 0.47428316404660 0.25000000000000 0.33880460451823 87.620 > 22 23 Sr 0.02571683595340 0.75000000000000 0.83880460451823 87.620 > 23 24 Sr 0.97428316404660 0.25000000000000 0.16119539548177 87.620 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.617296440000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.631288869999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160826840000000 Atomic positions (fractional): *1 B 0.36453387296330 0.25000000000000 0.32712628299223 10.811 > 1 2 B 0.86453387296330 0.25000000000000 0.32712628299223 10.811 > 1 3 B 0.36453387296330 0.58333333333333 0.32712628299223 10.811 > 1 4 B 0.86453387296330 0.58333333333333 0.32712628299223 10.811 > 1 5 B 0.36453387296330 0.91666666666667 0.32712628299223 10.811 > 1 6 B 0.86453387296330 0.91666666666667 0.32712628299223 10.811 > 1 7 B 0.13546612703670 0.08333333333333 0.67287371700777 10.811 > 2 8 B 0.63546612703670 0.08333333333333 0.67287371700777 10.811 > 2 9 B 0.13546612703670 0.41666666666667 0.67287371700777 10.811 > 2 10 B 0.63546612703670 0.41666666666667 0.67287371700777 10.811 > 2 11 B 0.13546612703670 0.75000000000000 0.67287371700777 10.811 > 2 12 B 0.63546612703670 0.75000000000000 0.67287371700777 10.811 > 2 13 B 0.11453387296330 0.25000000000000 0.17287371700777 10.811 > 3 14 B 0.61453387296330 0.25000000000000 0.17287371700777 10.811 > 3 15 B 0.11453387296330 0.58333333333333 0.17287371700777 10.811 > 3 16 B 0.61453387296330 0.58333333333333 0.17287371700777 10.811 > 3 17 B 0.11453387296330 0.91666666666667 0.17287371700777 10.811 > 3 18 B 0.61453387296330 0.91666666666667 0.17287371700777 10.811 > 3 19 B 0.38546612703670 0.08333333333333 0.82712628299223 10.811 > 4 20 B 0.88546612703670 0.08333333333333 0.82712628299223 10.811 > 4 21 B 0.38546612703670 0.41666666666667 0.82712628299223 10.811 > 4 22 B 0.88546612703670 0.41666666666667 0.82712628299223 10.811 > 4 23 B 0.38546612703670 0.75000000000000 0.82712628299223 10.811 > 4 24 B 0.88546612703670 0.75000000000000 0.82712628299223 10.811 > 4 *25 N 0.32352424350702 0.25000000000000 0.43457306226218 14.007 > 5 26 N 0.82352424350702 0.25000000000000 0.43457306226218 14.007 > 5 27 N 0.32352424350702 0.58333333333333 0.43457306226218 14.007 > 5 28 N 0.82352424350702 0.58333333333333 0.43457306226218 14.007 > 5 29 N 0.32352424350702 0.91666666666667 0.43457306226218 14.007 > 5 30 N 0.82352424350702 0.91666666666667 0.43457306226218 14.007 > 5 31 N 0.17647575649298 0.08333333333333 0.56542693773782 14.007 > 6 32 N 0.67647575649298 0.08333333333333 0.56542693773782 14.007 > 6 33 N 0.17647575649298 0.41666666666667 0.56542693773782 14.007 > 6 34 N 0.67647575649298 0.41666666666667 0.56542693773782 14.007 > 6 35 N 0.17647575649298 0.75000000000000 0.56542693773782 14.007 > 6 36 N 0.67647575649298 0.75000000000000 0.56542693773782 14.007 > 6 37 N 0.07352424350702 0.25000000000000 0.06542693773782 14.007 > 7 38 N 0.57352424350702 0.25000000000000 0.06542693773782 14.007 > 7 39 N 0.07352424350702 0.58333333333333 0.06542693773782 14.007 > 7 40 N 0.57352424350702 0.58333333333333 0.06542693773782 14.007 > 7 41 N 0.07352424350702 0.91666666666667 0.06542693773782 14.007 > 7 42 N 0.57352424350702 0.91666666666667 0.06542693773782 14.007 > 7 *43 N 0.09107192037696 0.08333333333333 0.77248188412798 14.007 > 8 44 N 0.59107192037696 0.08333333333333 0.77248188412798 14.007 > 8 45 N 0.09107192037696 0.41666666666667 0.77248188412798 14.007 > 8 46 N 0.59107192037696 0.41666666666667 0.77248188412798 14.007 > 8 47 N 0.09107192037696 0.75000000000000 0.77248188412798 14.007 > 8 48 N 0.59107192037696 0.75000000000000 0.77248188412798 14.007 > 8 49 N 0.15892807962304 0.25000000000000 0.27248188412798 14.007 > 9 50 N 0.65892807962304 0.25000000000000 0.27248188412798 14.007 > 9 51 N 0.15892807962304 0.58333333333333 0.27248188412798 14.007 > 9 52 N 0.65892807962304 0.58333333333333 0.27248188412798 14.007 > 9 53 N 0.15892807962304 0.91666666666667 0.27248188412798 14.007 > 9 54 N 0.65892807962304 0.91666666666667 0.27248188412798 14.007 > 9 55 N 0.34107192037696 0.08333333333333 0.72751811587202 14.007 > 10 56 N 0.84107192037696 0.08333333333333 0.72751811587202 14.007 > 10 57 N 0.34107192037696 0.41666666666667 0.72751811587202 14.007 > 10 58 N 0.84107192037696 0.41666666666667 0.72751811587202 14.007 > 10 59 N 0.34107192037696 0.75000000000000 0.72751811587202 14.007 > 10 60 N 0.84107192037696 0.75000000000000 0.72751811587202 14.007 > 10 61 N 0.40892807962304 0.25000000000000 0.22751811587202 14.007 > 11 62 N 0.90892807962304 0.25000000000000 0.22751811587202 14.007 > 11 63 N 0.40892807962304 0.58333333333333 0.22751811587202 14.007 > 11 64 N 0.90892807962304 0.58333333333333 0.22751811587202 14.007 > 11 65 N 0.40892807962304 0.91666666666667 0.22751811587202 14.007 > 11 66 N 0.90892807962304 0.91666666666667 0.22751811587202 14.007 > 11 67 N 0.42647575649298 0.08333333333333 0.93457306226218 14.007 > 12 68 N 0.92647575649298 0.08333333333333 0.93457306226218 14.007 > 12 69 N 0.42647575649298 0.41666666666667 0.93457306226218 14.007 > 12 70 N 0.92647575649298 0.41666666666667 0.93457306226218 14.007 > 12 71 N 0.42647575649298 0.75000000000000 0.93457306226218 14.007 > 12 72 N 0.92647575649298 0.75000000000000 0.93457306226218 14.007 > 12 *73 F 0.27311362118389 0.08333333333333 0.10114463689778 18.998 > 13 74 F 0.77311362118389 0.08333333333333 0.10114463689778 18.998 > 13 75 F 0.27311362118389 0.41666666666667 0.10114463689778 18.998 > 13 76 F 0.77311362118389 0.41666666666667 0.10114463689778 18.998 > 13 77 F 0.27311362118389 0.75000000000000 0.10114463689778 18.998 > 13 78 F 0.77311362118389 0.75000000000000 0.10114463689778 18.998 > 13 79 F 0.02311362118389 0.08333333333333 0.39885536310222 18.998 > 14 80 F 0.52311362118389 0.08333333333333 0.39885536310222 18.998 > 14 81 F 0.02311362118389 0.41666666666667 0.39885536310222 18.998 > 14 82 F 0.52311362118389 0.41666666666667 0.39885536310222 18.998 > 14 83 F 0.02311362118389 0.75000000000000 0.39885536310222 18.998 > 14 84 F 0.52311362118389 0.75000000000000 0.39885536310222 18.998 > 14 85 F 0.22688637881611 0.25000000000000 0.89885536310222 18.998 > 15 86 F 0.72688637881611 0.25000000000000 0.89885536310222 18.998 > 15 87 F 0.22688637881611 0.58333333333333 0.89885536310222 18.998 > 15 88 F 0.72688637881611 0.58333333333333 0.89885536310222 18.998 > 15 89 F 0.22688637881611 0.91666666666667 0.89885536310222 18.998 > 15 90 F 0.72688637881611 0.91666666666667 0.89885536310222 18.998 > 15 91 F 0.47688637881611 0.25000000000000 0.60114463689778 18.998 > 16 92 F 0.97688637881611 0.25000000000000 0.60114463689778 18.998 > 16 93 F 0.47688637881611 0.58333333333333 0.60114463689778 18.998 > 16 94 F 0.97688637881611 0.58333333333333 0.60114463689778 18.998 > 16 95 F 0.47688637881611 0.91666666666667 0.60114463689778 18.998 > 16 96 F 0.97688637881611 0.91666666666667 0.60114463689778 18.998 > 16 *97 Sr 0.33861108224747 0.25000000000000 0.01972756850999 87.620 > 17 98 Sr 0.83861108224747 0.25000000000000 0.01972756850999 87.620 > 17 99 Sr 0.33861108224747 0.58333333333333 0.01972756850999 87.620 > 17 100 Sr 0.83861108224747 0.58333333333333 0.01972756850999 87.620 > 17 101 Sr 0.33861108224747 0.91666666666667 0.01972756850999 87.620 > 17 102 Sr 0.83861108224747 0.91666666666667 0.01972756850999 87.620 > 17 103 Sr 0.41138891775253 0.08333333333333 0.51972756850999 87.620 > 18 104 Sr 0.91138891775253 0.08333333333333 0.51972756850999 87.620 > 18 105 Sr 0.41138891775253 0.41666666666667 0.51972756850999 87.620 > 18 106 Sr 0.91138891775253 0.41666666666667 0.51972756850999 87.620 > 18 107 Sr 0.41138891775253 0.75000000000000 0.51972756850999 87.620 > 18 108 Sr 0.91138891775253 0.75000000000000 0.51972756850999 87.620 > 18 109 Sr 0.08861108224747 0.25000000000000 0.48027243149001 87.620 > 19 110 Sr 0.58861108224747 0.25000000000000 0.48027243149001 87.620 > 19 111 Sr 0.08861108224747 0.58333333333333 0.48027243149001 87.620 > 19 112 Sr 0.58861108224747 0.58333333333333 0.48027243149001 87.620 > 19 113 Sr 0.08861108224747 0.91666666666667 0.48027243149001 87.620 > 19 114 Sr 0.58861108224747 0.91666666666667 0.48027243149001 87.620 > 19 115 Sr 0.16138891775253 0.08333333333333 0.98027243149001 87.620 > 20 116 Sr 0.66138891775253 0.08333333333333 0.98027243149001 87.620 > 20 117 Sr 0.16138891775253 0.41666666666667 0.98027243149001 87.620 > 20 118 Sr 0.66138891775253 0.41666666666667 0.98027243149001 87.620 > 20 119 Sr 0.16138891775253 0.75000000000000 0.98027243149001 87.620 > 20 120 Sr 0.66138891775253 0.75000000000000 0.98027243149001 87.620 > 20 *121 Sr 0.26285841797670 0.25000000000000 0.66119539548177 87.620 > 21 122 Sr 0.76285841797670 0.25000000000000 0.66119539548177 87.620 > 21 123 Sr 0.26285841797670 0.58333333333333 0.66119539548177 87.620 > 21 124 Sr 0.76285841797670 0.58333333333333 0.66119539548177 87.620 > 21 125 Sr 0.26285841797670 0.91666666666667 0.66119539548177 87.620 > 21 126 Sr 0.76285841797670 0.91666666666667 0.66119539548177 87.620 > 21 127 Sr 0.23714158202330 0.08333333333333 0.33880460451823 87.620 > 22 128 Sr 0.73714158202330 0.08333333333333 0.33880460451823 87.620 > 22 129 Sr 0.23714158202330 0.41666666666667 0.33880460451823 87.620 > 22 130 Sr 0.73714158202330 0.41666666666667 0.33880460451823 87.620 > 22 131 Sr 0.23714158202330 0.75000000000000 0.33880460451823 87.620 > 22 132 Sr 0.73714158202330 0.75000000000000 0.33880460451823 87.620 > 22 133 Sr 0.01285841797670 0.25000000000000 0.83880460451823 87.620 > 23 134 Sr 0.51285841797670 0.25000000000000 0.83880460451823 87.620 > 23 135 Sr 0.01285841797670 0.58333333333333 0.83880460451823 87.620 > 23 136 Sr 0.51285841797670 0.58333333333333 0.83880460451823 87.620 > 23 137 Sr 0.01285841797670 0.91666666666667 0.83880460451823 87.620 > 23 138 Sr 0.51285841797670 0.91666666666667 0.83880460451823 87.620 > 23 139 Sr 0.48714158202330 0.08333333333333 0.16119539548177 87.620 > 24 140 Sr 0.98714158202330 0.08333333333333 0.16119539548177 87.620 > 24 141 Sr 0.48714158202330 0.41666666666667 0.16119539548177 87.620 > 24 142 Sr 0.98714158202330 0.41666666666667 0.16119539548177 87.620 > 24 143 Sr 0.48714158202330 0.75000000000000 0.16119539548177 87.620 > 24 144 Sr 0.98714158202330 0.75000000000000 0.16119539548177 87.620 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6127294 0.0000000 0.0000000 0.0000000 3.4207755 0.0000000 0.0000000 0.0000000 4.0037262 -------------------------- Born effective charges -------------------------- 1 B 0.9270658 0.0000000 -1.6456373 0.0000000 -0.3472227 0.0000000 -1.6809306 0.0000000 1.6982754 2 B 0.9270658 0.0000000 -1.6456373 0.0000000 -0.3472227 0.0000000 -1.6809306 0.0000000 1.6982754 3 B 0.9270658 0.0000000 1.6456373 0.0000000 -0.3472227 0.0000000 1.6809306 0.0000000 1.6982754 4 B 0.9270658 0.0000000 1.6456373 0.0000000 -0.3472227 0.0000000 1.6809306 0.0000000 1.6982754 5 N -2.2524992 0.0000000 0.7184025 0.0000000 -1.6743985 0.0000000 0.8030256 0.0000000 -2.7932180 6 N -2.2524992 0.0000000 0.7184025 0.0000000 -1.6743985 0.0000000 0.8030256 0.0000000 -2.7932180 7 N -2.2524992 0.0000000 -0.7184025 0.0000000 -1.6743985 0.0000000 -0.8030256 0.0000000 -2.7932180 8 N -2.0965435 0.0000000 0.8177539 0.0000000 -1.6471109 0.0000000 0.8349249 0.0000000 -2.6936092 9 N -2.0965435 0.0000000 -0.8177539 0.0000000 -1.6471109 0.0000000 -0.8349249 0.0000000 -2.6936092 10 N -2.0965435 0.0000000 -0.8177539 0.0000000 -1.6471109 0.0000000 -0.8349249 0.0000000 -2.6936092 11 N -2.0965435 0.0000000 0.8177539 0.0000000 -1.6471109 0.0000000 0.8349249 0.0000000 -2.6936092 12 N -2.2524992 0.0000000 -0.7184025 0.0000000 -1.6743985 0.0000000 -0.8030256 0.0000000 -2.7932180 13 F -1.4755228 0.0000000 0.2012202 0.0000000 -1.3251633 0.0000000 0.0560434 0.0000000 -1.3301552 14 F -1.4755228 0.0000000 -0.2012202 0.0000000 -1.3251633 0.0000000 -0.0560434 0.0000000 -1.3301552 15 F -1.4755228 0.0000000 0.2012202 0.0000000 -1.3251633 0.0000000 0.0560434 0.0000000 -1.3301552 16 F -1.4755228 0.0000000 -0.2012202 0.0000000 -1.3251633 0.0000000 -0.0560434 0.0000000 -1.3301552 17 Sr 2.2061064 0.0000000 -0.1460871 0.0000000 2.4835361 0.0000000 0.0701169 0.0000000 2.5825679 18 Sr 2.2061064 0.0000000 0.1460871 0.0000000 2.4835361 0.0000000 -0.0701169 0.0000000 2.5825679 19 Sr 2.2061064 0.0000000 0.1460871 0.0000000 2.4835361 0.0000000 -0.0701169 0.0000000 2.5825679 20 Sr 2.2061064 0.0000000 -0.1460871 0.0000000 2.4835361 0.0000000 0.0701169 0.0000000 2.5825679 21 Sr 2.6913933 0.0000000 0.0468291 0.0000000 2.5103593 0.0000000 0.0076323 0.0000000 2.5361390 22 Sr 2.6913933 0.0000000 0.0468291 0.0000000 2.5103593 0.0000000 0.0076323 0.0000000 2.5361390 23 Sr 2.6913933 0.0000000 -0.0468291 0.0000000 2.5103593 0.0000000 -0.0076323 0.0000000 2.5361390 24 Sr 2.6913933 0.0000000 -0.0468291 0.0000000 2.5103593 0.0000000 -0.0076323 0.0000000 2.5361390 ---------------------------------------------------------------------------- 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) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 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, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.891 Solver_block: 200 / 400 - Time: 0.747 Solver_block: 300 / 400 - Time: 0.743 Solver_block: 400 / 400 - Time: 0.739 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.194 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) 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) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 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, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-07 23:39:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:39:44]------------------------- 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 9.808648220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.877096289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160826840000000 Atomic positions (fractional): 1 B 0.72906774592660 0.75000000000000 0.32712628299223 10.811 2 B 0.27093225407340 0.25000000000000 0.67287371700777 10.811 3 B 0.22906774592660 0.75000000000000 0.17287371700777 10.811 4 B 0.77093225407340 0.25000000000000 0.82712628299223 10.811 5 N 0.64704848701405 0.75000000000000 0.43457306226218 14.007 6 N 0.35295151298595 0.25000000000000 0.56542693773782 14.007 7 N 0.14704848701405 0.75000000000000 0.06542693773782 14.007 8 N 0.18214384075391 0.25000000000000 0.77248188412798 14.007 9 N 0.31785615924609 0.75000000000000 0.27248188412798 14.007 10 N 0.68214384075391 0.25000000000000 0.72751811587202 14.007 11 N 0.81785615924609 0.75000000000000 0.22751811587202 14.007 12 N 0.85295151298595 0.25000000000000 0.93457306226218 14.007 13 F 0.54622724236778 0.25000000000000 0.10114463689778 18.998 14 F 0.04622724236778 0.25000000000000 0.39885536310222 18.998 15 F 0.45377275763222 0.75000000000000 0.89885536310222 18.998 16 F 0.95377275763222 0.75000000000000 0.60114463689778 18.998 17 Sr 0.67722216449494 0.75000000000000 0.01972756850999 87.620 18 Sr 0.82277783550506 0.25000000000000 0.51972756850999 87.620 19 Sr 0.17722216449494 0.75000000000000 0.48027243149001 87.620 20 Sr 0.32277783550506 0.25000000000000 0.98027243149001 87.620 21 Sr 0.52571683595340 0.75000000000000 0.66119539548177 87.620 22 Sr 0.47428316404660 0.25000000000000 0.33880460451823 87.620 23 Sr 0.02571683595340 0.75000000000000 0.83880460451823 87.620 24 Sr 0.97428316404660 0.25000000000000 0.16119539548177 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.617296440000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.631288869999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160826840000000 Atomic positions (fractional): 1 B 0.36453387296330 0.25000000000000 0.32712628299223 10.811 > 1 2 B 0.86453387296330 0.25000000000000 0.32712628299223 10.811 > 1 3 B 0.36453387296330 0.58333333333333 0.32712628299223 10.811 > 1 4 B 0.86453387296330 0.58333333333333 0.32712628299223 10.811 > 1 5 B 0.36453387296330 0.91666666666667 0.32712628299223 10.811 > 1 6 B 0.86453387296330 0.91666666666667 0.32712628299223 10.811 > 1 7 B 0.13546612703670 0.08333333333333 0.67287371700777 10.811 > 7 8 B 0.63546612703670 0.08333333333333 0.67287371700777 10.811 > 7 9 B 0.13546612703670 0.41666666666667 0.67287371700777 10.811 > 7 10 B 0.63546612703670 0.41666666666667 0.67287371700777 10.811 > 7 11 B 0.13546612703670 0.75000000000000 0.67287371700777 10.811 > 7 12 B 0.63546612703670 0.75000000000000 0.67287371700777 10.811 > 7 13 B 0.11453387296330 0.25000000000000 0.17287371700777 10.811 > 13 14 B 0.61453387296330 0.25000000000000 0.17287371700777 10.811 > 13 15 B 0.11453387296330 0.58333333333333 0.17287371700777 10.811 > 13 16 B 0.61453387296330 0.58333333333333 0.17287371700777 10.811 > 13 17 B 0.11453387296330 0.91666666666667 0.17287371700777 10.811 > 13 18 B 0.61453387296330 0.91666666666667 0.17287371700777 10.811 > 13 19 B 0.38546612703670 0.08333333333333 0.82712628299223 10.811 > 19 20 B 0.88546612703670 0.08333333333333 0.82712628299223 10.811 > 19 21 B 0.38546612703670 0.41666666666667 0.82712628299223 10.811 > 19 22 B 0.88546612703670 0.41666666666667 0.82712628299223 10.811 > 19 23 B 0.38546612703670 0.75000000000000 0.82712628299223 10.811 > 19 24 B 0.88546612703670 0.75000000000000 0.82712628299223 10.811 > 19 25 N 0.32352424350702 0.25000000000000 0.43457306226218 14.007 > 25 26 N 0.82352424350702 0.25000000000000 0.43457306226218 14.007 > 25 27 N 0.32352424350702 0.58333333333333 0.43457306226218 14.007 > 25 28 N 0.82352424350702 0.58333333333333 0.43457306226218 14.007 > 25 29 N 0.32352424350702 0.91666666666667 0.43457306226218 14.007 > 25 30 N 0.82352424350702 0.91666666666667 0.43457306226218 14.007 > 25 31 N 0.17647575649298 0.08333333333333 0.56542693773782 14.007 > 31 32 N 0.67647575649298 0.08333333333333 0.56542693773782 14.007 > 31 33 N 0.17647575649298 0.41666666666667 0.56542693773782 14.007 > 31 34 N 0.67647575649298 0.41666666666667 0.56542693773782 14.007 > 31 35 N 0.17647575649298 0.75000000000000 0.56542693773782 14.007 > 31 36 N 0.67647575649298 0.75000000000000 0.56542693773782 14.007 > 31 37 N 0.07352424350702 0.25000000000000 0.06542693773782 14.007 > 37 38 N 0.57352424350702 0.25000000000000 0.06542693773782 14.007 > 37 39 N 0.07352424350702 0.58333333333333 0.06542693773782 14.007 > 37 40 N 0.57352424350702 0.58333333333333 0.06542693773782 14.007 > 37 41 N 0.07352424350702 0.91666666666667 0.06542693773782 14.007 > 37 42 N 0.57352424350702 0.91666666666667 0.06542693773782 14.007 > 37 43 N 0.09107192037696 0.08333333333333 0.77248188412798 14.007 > 43 44 N 0.59107192037696 0.08333333333333 0.77248188412798 14.007 > 43 45 N 0.09107192037696 0.41666666666667 0.77248188412798 14.007 > 43 46 N 0.59107192037696 0.41666666666667 0.77248188412798 14.007 > 43 47 N 0.09107192037696 0.75000000000000 0.77248188412798 14.007 > 43 48 N 0.59107192037696 0.75000000000000 0.77248188412798 14.007 > 43 49 N 0.15892807962304 0.25000000000000 0.27248188412798 14.007 > 49 50 N 0.65892807962304 0.25000000000000 0.27248188412798 14.007 > 49 51 N 0.15892807962304 0.58333333333333 0.27248188412798 14.007 > 49 52 N 0.65892807962304 0.58333333333333 0.27248188412798 14.007 > 49 53 N 0.15892807962304 0.91666666666667 0.27248188412798 14.007 > 49 54 N 0.65892807962304 0.91666666666667 0.27248188412798 14.007 > 49 55 N 0.34107192037696 0.08333333333333 0.72751811587202 14.007 > 55 56 N 0.84107192037696 0.08333333333333 0.72751811587202 14.007 > 55 57 N 0.34107192037696 0.41666666666667 0.72751811587202 14.007 > 55 58 N 0.84107192037696 0.41666666666667 0.72751811587202 14.007 > 55 59 N 0.34107192037696 0.75000000000000 0.72751811587202 14.007 > 55 60 N 0.84107192037696 0.75000000000000 0.72751811587202 14.007 > 55 61 N 0.40892807962304 0.25000000000000 0.22751811587202 14.007 > 61 62 N 0.90892807962304 0.25000000000000 0.22751811587202 14.007 > 61 63 N 0.40892807962304 0.58333333333333 0.22751811587202 14.007 > 61 64 N 0.90892807962304 0.58333333333333 0.22751811587202 14.007 > 61 65 N 0.40892807962304 0.91666666666667 0.22751811587202 14.007 > 61 66 N 0.90892807962304 0.91666666666667 0.22751811587202 14.007 > 61 67 N 0.42647575649298 0.08333333333333 0.93457306226218 14.007 > 67 68 N 0.92647575649298 0.08333333333333 0.93457306226218 14.007 > 67 69 N 0.42647575649298 0.41666666666667 0.93457306226218 14.007 > 67 70 N 0.92647575649298 0.41666666666667 0.93457306226218 14.007 > 67 71 N 0.42647575649298 0.75000000000000 0.93457306226218 14.007 > 67 72 N 0.92647575649298 0.75000000000000 0.93457306226218 14.007 > 67 73 F 0.27311362118389 0.08333333333333 0.10114463689778 18.998 > 73 74 F 0.77311362118389 0.08333333333333 0.10114463689778 18.998 > 73 75 F 0.27311362118389 0.41666666666667 0.10114463689778 18.998 > 73 76 F 0.77311362118389 0.41666666666667 0.10114463689778 18.998 > 73 77 F 0.27311362118389 0.75000000000000 0.10114463689778 18.998 > 73 78 F 0.77311362118389 0.75000000000000 0.10114463689778 18.998 > 73 79 F 0.02311362118389 0.08333333333333 0.39885536310222 18.998 > 79 80 F 0.52311362118389 0.08333333333333 0.39885536310222 18.998 > 79 81 F 0.02311362118389 0.41666666666667 0.39885536310222 18.998 > 79 82 F 0.52311362118389 0.41666666666667 0.39885536310222 18.998 > 79 83 F 0.02311362118389 0.75000000000000 0.39885536310222 18.998 > 79 84 F 0.52311362118389 0.75000000000000 0.39885536310222 18.998 > 79 85 F 0.22688637881611 0.25000000000000 0.89885536310222 18.998 > 85 86 F 0.72688637881611 0.25000000000000 0.89885536310222 18.998 > 85 87 F 0.22688637881611 0.58333333333333 0.89885536310222 18.998 > 85 88 F 0.72688637881611 0.58333333333333 0.89885536310222 18.998 > 85 89 F 0.22688637881611 0.91666666666667 0.89885536310222 18.998 > 85 90 F 0.72688637881611 0.91666666666667 0.89885536310222 18.998 > 85 91 F 0.47688637881611 0.25000000000000 0.60114463689778 18.998 > 91 92 F 0.97688637881611 0.25000000000000 0.60114463689778 18.998 > 91 93 F 0.47688637881611 0.58333333333333 0.60114463689778 18.998 > 91 94 F 0.97688637881611 0.58333333333333 0.60114463689778 18.998 > 91 95 F 0.47688637881611 0.91666666666667 0.60114463689778 18.998 > 91 96 F 0.97688637881611 0.91666666666667 0.60114463689778 18.998 > 91 97 Sr 0.33861108224747 0.25000000000000 0.01972756850999 87.620 > 97 98 Sr 0.83861108224747 0.25000000000000 0.01972756850999 87.620 > 97 99 Sr 0.33861108224747 0.58333333333333 0.01972756850999 87.620 > 97 100 Sr 0.83861108224747 0.58333333333333 0.01972756850999 87.620 > 97 101 Sr 0.33861108224747 0.91666666666667 0.01972756850999 87.620 > 97 102 Sr 0.83861108224747 0.91666666666667 0.01972756850999 87.620 > 97 103 Sr 0.41138891775253 0.08333333333333 0.51972756850999 87.620 > 103 104 Sr 0.91138891775253 0.08333333333333 0.51972756850999 87.620 > 103 105 Sr 0.41138891775253 0.41666666666667 0.51972756850999 87.620 > 103 106 Sr 0.91138891775253 0.41666666666667 0.51972756850999 87.620 > 103 107 Sr 0.41138891775253 0.75000000000000 0.51972756850999 87.620 > 103 108 Sr 0.91138891775253 0.75000000000000 0.51972756850999 87.620 > 103 109 Sr 0.08861108224747 0.25000000000000 0.48027243149001 87.620 > 109 110 Sr 0.58861108224747 0.25000000000000 0.48027243149001 87.620 > 109 111 Sr 0.08861108224747 0.58333333333333 0.48027243149001 87.620 > 109 112 Sr 0.58861108224747 0.58333333333333 0.48027243149001 87.620 > 109 113 Sr 0.08861108224747 0.91666666666667 0.48027243149001 87.620 > 109 114 Sr 0.58861108224747 0.91666666666667 0.48027243149001 87.620 > 109 115 Sr 0.16138891775253 0.08333333333333 0.98027243149001 87.620 > 115 116 Sr 0.66138891775253 0.08333333333333 0.98027243149001 87.620 > 115 117 Sr 0.16138891775253 0.41666666666667 0.98027243149001 87.620 > 115 118 Sr 0.66138891775253 0.41666666666667 0.98027243149001 87.620 > 115 119 Sr 0.16138891775253 0.75000000000000 0.98027243149001 87.620 > 115 120 Sr 0.66138891775253 0.75000000000000 0.98027243149001 87.620 > 115 121 Sr 0.26285841797670 0.25000000000000 0.66119539548177 87.620 > 121 122 Sr 0.76285841797670 0.25000000000000 0.66119539548177 87.620 > 121 123 Sr 0.26285841797670 0.58333333333333 0.66119539548177 87.620 > 121 124 Sr 0.76285841797670 0.58333333333333 0.66119539548177 87.620 > 121 125 Sr 0.26285841797670 0.91666666666667 0.66119539548177 87.620 > 121 126 Sr 0.76285841797670 0.91666666666667 0.66119539548177 87.620 > 121 127 Sr 0.23714158202330 0.08333333333333 0.33880460451823 87.620 > 127 128 Sr 0.73714158202330 0.08333333333333 0.33880460451823 87.620 > 127 129 Sr 0.23714158202330 0.41666666666667 0.33880460451823 87.620 > 127 130 Sr 0.73714158202330 0.41666666666667 0.33880460451823 87.620 > 127 131 Sr 0.23714158202330 0.75000000000000 0.33880460451823 87.620 > 127 132 Sr 0.73714158202330 0.75000000000000 0.33880460451823 87.620 > 127 133 Sr 0.01285841797670 0.25000000000000 0.83880460451823 87.620 > 133 134 Sr 0.51285841797670 0.25000000000000 0.83880460451823 87.620 > 133 135 Sr 0.01285841797670 0.58333333333333 0.83880460451823 87.620 > 133 136 Sr 0.51285841797670 0.58333333333333 0.83880460451823 87.620 > 133 137 Sr 0.01285841797670 0.91666666666667 0.83880460451823 87.620 > 133 138 Sr 0.51285841797670 0.91666666666667 0.83880460451823 87.620 > 133 139 Sr 0.48714158202330 0.08333333333333 0.16119539548177 87.620 > 139 140 Sr 0.98714158202330 0.08333333333333 0.16119539548177 87.620 > 139 141 Sr 0.48714158202330 0.41666666666667 0.16119539548177 87.620 > 139 142 Sr 0.98714158202330 0.41666666666667 0.16119539548177 87.620 > 139 143 Sr 0.48714158202330 0.75000000000000 0.16119539548177 87.620 > 139 144 Sr 0.98714158202330 0.75000000000000 0.16119539548177 87.620 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6127294 0.0000000 0.0000000 0.0000000 3.4207755 0.0000000 0.0000000 0.0000000 4.0037262 -------------------------- Born effective charges -------------------------- 1 B 0.9270658 0.0000000 -1.6456373 0.0000000 -0.3472227 0.0000000 -1.6809306 0.0000000 1.6982754 2 B 0.9270658 0.0000000 -1.6456373 0.0000000 -0.3472227 0.0000000 -1.6809306 0.0000000 1.6982754 3 B 0.9270658 0.0000000 1.6456373 0.0000000 -0.3472227 0.0000000 1.6809306 0.0000000 1.6982754 4 B 0.9270658 0.0000000 1.6456373 0.0000000 -0.3472227 0.0000000 1.6809306 0.0000000 1.6982754 5 N -2.2524992 0.0000000 0.7184025 0.0000000 -1.6743985 0.0000000 0.8030256 0.0000000 -2.7932180 6 N -2.2524992 0.0000000 0.7184025 0.0000000 -1.6743985 0.0000000 0.8030256 0.0000000 -2.7932180 7 N -2.2524992 0.0000000 -0.7184025 0.0000000 -1.6743985 0.0000000 -0.8030256 0.0000000 -2.7932180 8 N -2.0965435 0.0000000 0.8177539 0.0000000 -1.6471109 0.0000000 0.8349249 0.0000000 -2.6936092 9 N -2.0965435 0.0000000 -0.8177539 0.0000000 -1.6471109 0.0000000 -0.8349249 0.0000000 -2.6936092 10 N -2.0965435 0.0000000 -0.8177539 0.0000000 -1.6471109 0.0000000 -0.8349249 0.0000000 -2.6936092 11 N -2.0965435 0.0000000 0.8177539 0.0000000 -1.6471109 0.0000000 0.8349249 0.0000000 -2.6936092 12 N -2.2524992 0.0000000 -0.7184025 0.0000000 -1.6743985 0.0000000 -0.8030256 0.0000000 -2.7932180 13 F -1.4755228 0.0000000 0.2012202 0.0000000 -1.3251633 0.0000000 0.0560434 0.0000000 -1.3301552 14 F -1.4755228 0.0000000 -0.2012202 0.0000000 -1.3251633 0.0000000 -0.0560434 0.0000000 -1.3301552 15 F -1.4755228 0.0000000 0.2012202 0.0000000 -1.3251633 0.0000000 0.0560434 0.0000000 -1.3301552 16 F -1.4755228 0.0000000 -0.2012202 0.0000000 -1.3251633 0.0000000 -0.0560434 0.0000000 -1.3301552 17 Sr 2.2061064 0.0000000 -0.1460871 0.0000000 2.4835361 0.0000000 0.0701169 0.0000000 2.5825679 18 Sr 2.2061064 0.0000000 0.1460871 0.0000000 2.4835361 0.0000000 -0.0701169 0.0000000 2.5825679 19 Sr 2.2061064 0.0000000 0.1460871 0.0000000 2.4835361 0.0000000 -0.0701169 0.0000000 2.5825679 20 Sr 2.2061064 0.0000000 -0.1460871 0.0000000 2.4835361 0.0000000 0.0701169 0.0000000 2.5825679 21 Sr 2.6913933 0.0000000 0.0468291 0.0000000 2.5103593 0.0000000 0.0076323 0.0000000 2.5361390 22 Sr 2.6913933 0.0000000 0.0468291 0.0000000 2.5103593 0.0000000 0.0076323 0.0000000 2.5361390 23 Sr 2.6913933 0.0000000 -0.0468291 0.0000000 2.5103593 0.0000000 -0.0076323 0.0000000 2.5361390 24 Sr 2.6913933 0.0000000 -0.0468291 0.0000000 2.5103593 0.0000000 -0.0076323 0.0000000 2.5361390 ---------------------------------------------------------------------------- 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[ 43, 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 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:40:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 9.808648220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.877096289999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160826840000000 Atomic positions (fractional): 1 B 0.72906774592660 0.75000000000000 0.32712628299223 10.811 2 B 0.27093225407340 0.25000000000000 0.67287371700777 10.811 3 B 0.22906774592660 0.75000000000000 0.17287371700777 10.811 4 B 0.77093225407340 0.25000000000000 0.82712628299223 10.811 5 N 0.64704848701405 0.75000000000000 0.43457306226218 14.007 6 N 0.35295151298595 0.25000000000000 0.56542693773782 14.007 7 N 0.14704848701405 0.75000000000000 0.06542693773782 14.007 8 N 0.18214384075391 0.25000000000000 0.77248188412798 14.007 9 N 0.31785615924609 0.75000000000000 0.27248188412798 14.007 10 N 0.68214384075391 0.25000000000000 0.72751811587202 14.007 11 N 0.81785615924609 0.75000000000000 0.22751811587202 14.007 12 N 0.85295151298595 0.25000000000000 0.93457306226218 14.007 13 F 0.54622724236778 0.25000000000000 0.10114463689778 18.998 14 F 0.04622724236778 0.25000000000000 0.39885536310222 18.998 15 F 0.45377275763222 0.75000000000000 0.89885536310222 18.998 16 F 0.95377275763222 0.75000000000000 0.60114463689778 18.998 17 Sr 0.67722216449494 0.75000000000000 0.01972756850999 87.620 18 Sr 0.82277783550506 0.25000000000000 0.51972756850999 87.620 19 Sr 0.17722216449494 0.75000000000000 0.48027243149001 87.620 20 Sr 0.32277783550506 0.25000000000000 0.98027243149001 87.620 21 Sr 0.52571683595340 0.75000000000000 0.66119539548177 87.620 22 Sr 0.47428316404660 0.25000000000000 0.33880460451823 87.620 23 Sr 0.02571683595340 0.75000000000000 0.83880460451823 87.620 24 Sr 0.97428316404660 0.25000000000000 0.16119539548177 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.617296440000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.631288869999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.160826840000000 Atomic positions (fractional): 1 B 0.36453387296330 0.25000000000000 0.32712628299223 10.811 > 1 2 B 0.86453387296330 0.25000000000000 0.32712628299223 10.811 > 1 3 B 0.36453387296330 0.58333333333333 0.32712628299223 10.811 > 1 4 B 0.86453387296330 0.58333333333333 0.32712628299223 10.811 > 1 5 B 0.36453387296330 0.91666666666667 0.32712628299223 10.811 > 1 6 B 0.86453387296330 0.91666666666667 0.32712628299223 10.811 > 1 7 B 0.13546612703670 0.08333333333333 0.67287371700777 10.811 > 7 8 B 0.63546612703670 0.08333333333333 0.67287371700777 10.811 > 7 9 B 0.13546612703670 0.41666666666667 0.67287371700777 10.811 > 7 10 B 0.63546612703670 0.41666666666667 0.67287371700777 10.811 > 7 11 B 0.13546612703670 0.75000000000000 0.67287371700777 10.811 > 7 12 B 0.63546612703670 0.75000000000000 0.67287371700777 10.811 > 7 13 B 0.11453387296330 0.25000000000000 0.17287371700777 10.811 > 13 14 B 0.61453387296330 0.25000000000000 0.17287371700777 10.811 > 13 15 B 0.11453387296330 0.58333333333333 0.17287371700777 10.811 > 13 16 B 0.61453387296330 0.58333333333333 0.17287371700777 10.811 > 13 17 B 0.11453387296330 0.91666666666667 0.17287371700777 10.811 > 13 18 B 0.61453387296330 0.91666666666667 0.17287371700777 10.811 > 13 19 B 0.38546612703670 0.08333333333333 0.82712628299223 10.811 > 19 20 B 0.88546612703670 0.08333333333333 0.82712628299223 10.811 > 19 21 B 0.38546612703670 0.41666666666667 0.82712628299223 10.811 > 19 22 B 0.88546612703670 0.41666666666667 0.82712628299223 10.811 > 19 23 B 0.38546612703670 0.75000000000000 0.82712628299223 10.811 > 19 24 B 0.88546612703670 0.75000000000000 0.82712628299223 10.811 > 19 25 N 0.32352424350702 0.25000000000000 0.43457306226218 14.007 > 25 26 N 0.82352424350702 0.25000000000000 0.43457306226218 14.007 > 25 27 N 0.32352424350702 0.58333333333333 0.43457306226218 14.007 > 25 28 N 0.82352424350702 0.58333333333333 0.43457306226218 14.007 > 25 29 N 0.32352424350702 0.91666666666667 0.43457306226218 14.007 > 25 30 N 0.82352424350702 0.91666666666667 0.43457306226218 14.007 > 25 31 N 0.17647575649298 0.08333333333333 0.56542693773782 14.007 > 31 32 N 0.67647575649298 0.08333333333333 0.56542693773782 14.007 > 31 33 N 0.17647575649298 0.41666666666667 0.56542693773782 14.007 > 31 34 N 0.67647575649298 0.41666666666667 0.56542693773782 14.007 > 31 35 N 0.17647575649298 0.75000000000000 0.56542693773782 14.007 > 31 36 N 0.67647575649298 0.75000000000000 0.56542693773782 14.007 > 31 37 N 0.07352424350702 0.25000000000000 0.06542693773782 14.007 > 37 38 N 0.57352424350702 0.25000000000000 0.06542693773782 14.007 > 37 39 N 0.07352424350702 0.58333333333333 0.06542693773782 14.007 > 37 40 N 0.57352424350702 0.58333333333333 0.06542693773782 14.007 > 37 41 N 0.07352424350702 0.91666666666667 0.06542693773782 14.007 > 37 42 N 0.57352424350702 0.91666666666667 0.06542693773782 14.007 > 37 43 N 0.09107192037696 0.08333333333333 0.77248188412798 14.007 > 43 44 N 0.59107192037696 0.08333333333333 0.77248188412798 14.007 > 43 45 N 0.09107192037696 0.41666666666667 0.77248188412798 14.007 > 43 46 N 0.59107192037696 0.41666666666667 0.77248188412798 14.007 > 43 47 N 0.09107192037696 0.75000000000000 0.77248188412798 14.007 > 43 48 N 0.59107192037696 0.75000000000000 0.77248188412798 14.007 > 43 49 N 0.15892807962304 0.25000000000000 0.27248188412798 14.007 > 49 50 N 0.65892807962304 0.25000000000000 0.27248188412798 14.007 > 49 51 N 0.15892807962304 0.58333333333333 0.27248188412798 14.007 > 49 52 N 0.65892807962304 0.58333333333333 0.27248188412798 14.007 > 49 53 N 0.15892807962304 0.91666666666667 0.27248188412798 14.007 > 49 54 N 0.65892807962304 0.91666666666667 0.27248188412798 14.007 > 49 55 N 0.34107192037696 0.08333333333333 0.72751811587202 14.007 > 55 56 N 0.84107192037696 0.08333333333333 0.72751811587202 14.007 > 55 57 N 0.34107192037696 0.41666666666667 0.72751811587202 14.007 > 55 58 N 0.84107192037696 0.41666666666667 0.72751811587202 14.007 > 55 59 N 0.34107192037696 0.75000000000000 0.72751811587202 14.007 > 55 60 N 0.84107192037696 0.75000000000000 0.72751811587202 14.007 > 55 61 N 0.40892807962304 0.25000000000000 0.22751811587202 14.007 > 61 62 N 0.90892807962304 0.25000000000000 0.22751811587202 14.007 > 61 63 N 0.40892807962304 0.58333333333333 0.22751811587202 14.007 > 61 64 N 0.90892807962304 0.58333333333333 0.22751811587202 14.007 > 61 65 N 0.40892807962304 0.91666666666667 0.22751811587202 14.007 > 61 66 N 0.90892807962304 0.91666666666667 0.22751811587202 14.007 > 61 67 N 0.42647575649298 0.08333333333333 0.93457306226218 14.007 > 67 68 N 0.92647575649298 0.08333333333333 0.93457306226218 14.007 > 67 69 N 0.42647575649298 0.41666666666667 0.93457306226218 14.007 > 67 70 N 0.92647575649298 0.41666666666667 0.93457306226218 14.007 > 67 71 N 0.42647575649298 0.75000000000000 0.93457306226218 14.007 > 67 72 N 0.92647575649298 0.75000000000000 0.93457306226218 14.007 > 67 73 F 0.27311362118389 0.08333333333333 0.10114463689778 18.998 > 73 74 F 0.77311362118389 0.08333333333333 0.10114463689778 18.998 > 73 75 F 0.27311362118389 0.41666666666667 0.10114463689778 18.998 > 73 76 F 0.77311362118389 0.41666666666667 0.10114463689778 18.998 > 73 77 F 0.27311362118389 0.75000000000000 0.10114463689778 18.998 > 73 78 F 0.77311362118389 0.75000000000000 0.10114463689778 18.998 > 73 79 F 0.02311362118389 0.08333333333333 0.39885536310222 18.998 > 79 80 F 0.52311362118389 0.08333333333333 0.39885536310222 18.998 > 79 81 F 0.02311362118389 0.41666666666667 0.39885536310222 18.998 > 79 82 F 0.52311362118389 0.41666666666667 0.39885536310222 18.998 > 79 83 F 0.02311362118389 0.75000000000000 0.39885536310222 18.998 > 79 84 F 0.52311362118389 0.75000000000000 0.39885536310222 18.998 > 79 85 F 0.22688637881611 0.25000000000000 0.89885536310222 18.998 > 85 86 F 0.72688637881611 0.25000000000000 0.89885536310222 18.998 > 85 87 F 0.22688637881611 0.58333333333333 0.89885536310222 18.998 > 85 88 F 0.72688637881611 0.58333333333333 0.89885536310222 18.998 > 85 89 F 0.22688637881611 0.91666666666667 0.89885536310222 18.998 > 85 90 F 0.72688637881611 0.91666666666667 0.89885536310222 18.998 > 85 91 F 0.47688637881611 0.25000000000000 0.60114463689778 18.998 > 91 92 F 0.97688637881611 0.25000000000000 0.60114463689778 18.998 > 91 93 F 0.47688637881611 0.58333333333333 0.60114463689778 18.998 > 91 94 F 0.97688637881611 0.58333333333333 0.60114463689778 18.998 > 91 95 F 0.47688637881611 0.91666666666667 0.60114463689778 18.998 > 91 96 F 0.97688637881611 0.91666666666667 0.60114463689778 18.998 > 91 97 Sr 0.33861108224747 0.25000000000000 0.01972756850999 87.620 > 97 98 Sr 0.83861108224747 0.25000000000000 0.01972756850999 87.620 > 97 99 Sr 0.33861108224747 0.58333333333333 0.01972756850999 87.620 > 97 100 Sr 0.83861108224747 0.58333333333333 0.01972756850999 87.620 > 97 101 Sr 0.33861108224747 0.91666666666667 0.01972756850999 87.620 > 97 102 Sr 0.83861108224747 0.91666666666667 0.01972756850999 87.620 > 97 103 Sr 0.41138891775253 0.08333333333333 0.51972756850999 87.620 > 103 104 Sr 0.91138891775253 0.08333333333333 0.51972756850999 87.620 > 103 105 Sr 0.41138891775253 0.41666666666667 0.51972756850999 87.620 > 103 106 Sr 0.91138891775253 0.41666666666667 0.51972756850999 87.620 > 103 107 Sr 0.41138891775253 0.75000000000000 0.51972756850999 87.620 > 103 108 Sr 0.91138891775253 0.75000000000000 0.51972756850999 87.620 > 103 109 Sr 0.08861108224747 0.25000000000000 0.48027243149001 87.620 > 109 110 Sr 0.58861108224747 0.25000000000000 0.48027243149001 87.620 > 109 111 Sr 0.08861108224747 0.58333333333333 0.48027243149001 87.620 > 109 112 Sr 0.58861108224747 0.58333333333333 0.48027243149001 87.620 > 109 113 Sr 0.08861108224747 0.91666666666667 0.48027243149001 87.620 > 109 114 Sr 0.58861108224747 0.91666666666667 0.48027243149001 87.620 > 109 115 Sr 0.16138891775253 0.08333333333333 0.98027243149001 87.620 > 115 116 Sr 0.66138891775253 0.08333333333333 0.98027243149001 87.620 > 115 117 Sr 0.16138891775253 0.41666666666667 0.98027243149001 87.620 > 115 118 Sr 0.66138891775253 0.41666666666667 0.98027243149001 87.620 > 115 119 Sr 0.16138891775253 0.75000000000000 0.98027243149001 87.620 > 115 120 Sr 0.66138891775253 0.75000000000000 0.98027243149001 87.620 > 115 121 Sr 0.26285841797670 0.25000000000000 0.66119539548177 87.620 > 121 122 Sr 0.76285841797670 0.25000000000000 0.66119539548177 87.620 > 121 123 Sr 0.26285841797670 0.58333333333333 0.66119539548177 87.620 > 121 124 Sr 0.76285841797670 0.58333333333333 0.66119539548177 87.620 > 121 125 Sr 0.26285841797670 0.91666666666667 0.66119539548177 87.620 > 121 126 Sr 0.76285841797670 0.91666666666667 0.66119539548177 87.620 > 121 127 Sr 0.23714158202330 0.08333333333333 0.33880460451823 87.620 > 127 128 Sr 0.73714158202330 0.08333333333333 0.33880460451823 87.620 > 127 129 Sr 0.23714158202330 0.41666666666667 0.33880460451823 87.620 > 127 130 Sr 0.73714158202330 0.41666666666667 0.33880460451823 87.620 > 127 131 Sr 0.23714158202330 0.75000000000000 0.33880460451823 87.620 > 127 132 Sr 0.73714158202330 0.75000000000000 0.33880460451823 87.620 > 127 133 Sr 0.01285841797670 0.25000000000000 0.83880460451823 87.620 > 133 134 Sr 0.51285841797670 0.25000000000000 0.83880460451823 87.620 > 133 135 Sr 0.01285841797670 0.58333333333333 0.83880460451823 87.620 > 133 136 Sr 0.51285841797670 0.58333333333333 0.83880460451823 87.620 > 133 137 Sr 0.01285841797670 0.91666666666667 0.83880460451823 87.620 > 133 138 Sr 0.51285841797670 0.91666666666667 0.83880460451823 87.620 > 133 139 Sr 0.48714158202330 0.08333333333333 0.16119539548177 87.620 > 139 140 Sr 0.98714158202330 0.08333333333333 0.16119539548177 87.620 > 139 141 Sr 0.48714158202330 0.41666666666667 0.16119539548177 87.620 > 139 142 Sr 0.98714158202330 0.41666666666667 0.16119539548177 87.620 > 139 143 Sr 0.48714158202330 0.75000000000000 0.16119539548177 87.620 > 139 144 Sr 0.98714158202330 0.75000000000000 0.16119539548177 87.620 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6127294 0.0000000 0.0000000 0.0000000 3.4207755 0.0000000 0.0000000 0.0000000 4.0037262 -------------------------- Born effective charges -------------------------- 1 B 0.9270658 0.0000000 -1.6456373 0.0000000 -0.3472227 0.0000000 -1.6809306 0.0000000 1.6982754 2 B 0.9270658 0.0000000 -1.6456373 0.0000000 -0.3472227 0.0000000 -1.6809306 0.0000000 1.6982754 3 B 0.9270658 0.0000000 1.6456373 0.0000000 -0.3472227 0.0000000 1.6809306 0.0000000 1.6982754 4 B 0.9270658 0.0000000 1.6456373 0.0000000 -0.3472227 0.0000000 1.6809306 0.0000000 1.6982754 5 N -2.2524992 0.0000000 0.7184025 0.0000000 -1.6743985 0.0000000 0.8030256 0.0000000 -2.7932180 6 N -2.2524992 0.0000000 0.7184025 0.0000000 -1.6743985 0.0000000 0.8030256 0.0000000 -2.7932180 7 N -2.2524992 0.0000000 -0.7184025 0.0000000 -1.6743985 0.0000000 -0.8030256 0.0000000 -2.7932180 8 N -2.0965435 0.0000000 0.8177539 0.0000000 -1.6471109 0.0000000 0.8349249 0.0000000 -2.6936092 9 N -2.0965435 0.0000000 -0.8177539 0.0000000 -1.6471109 0.0000000 -0.8349249 0.0000000 -2.6936092 10 N -2.0965435 0.0000000 -0.8177539 0.0000000 -1.6471109 0.0000000 -0.8349249 0.0000000 -2.6936092 11 N -2.0965435 0.0000000 0.8177539 0.0000000 -1.6471109 0.0000000 0.8349249 0.0000000 -2.6936092 12 N -2.2524992 0.0000000 -0.7184025 0.0000000 -1.6743985 0.0000000 -0.8030256 0.0000000 -2.7932180 13 F -1.4755228 0.0000000 0.2012202 0.0000000 -1.3251633 0.0000000 0.0560434 0.0000000 -1.3301552 14 F -1.4755228 0.0000000 -0.2012202 0.0000000 -1.3251633 0.0000000 -0.0560434 0.0000000 -1.3301552 15 F -1.4755228 0.0000000 0.2012202 0.0000000 -1.3251633 0.0000000 0.0560434 0.0000000 -1.3301552 16 F -1.4755228 0.0000000 -0.2012202 0.0000000 -1.3251633 0.0000000 -0.0560434 0.0000000 -1.3301552 17 Sr 2.2061064 0.0000000 -0.1460871 0.0000000 2.4835361 0.0000000 0.0701169 0.0000000 2.5825679 18 Sr 2.2061064 0.0000000 0.1460871 0.0000000 2.4835361 0.0000000 -0.0701169 0.0000000 2.5825679 19 Sr 2.2061064 0.0000000 0.1460871 0.0000000 2.4835361 0.0000000 -0.0701169 0.0000000 2.5825679 20 Sr 2.2061064 0.0000000 -0.1460871 0.0000000 2.4835361 0.0000000 0.0701169 0.0000000 2.5825679 21 Sr 2.6913933 0.0000000 0.0468291 0.0000000 2.5103593 0.0000000 0.0076323 0.0000000 2.5361390 22 Sr 2.6913933 0.0000000 0.0468291 0.0000000 2.5103593 0.0000000 0.0076323 0.0000000 2.5361390 23 Sr 2.6913933 0.0000000 -0.0468291 0.0000000 2.5103593 0.0000000 -0.0076323 0.0000000 2.5361390 24 Sr 2.6913933 0.0000000 -0.0468291 0.0000000 2.5103593 0.0000000 -0.0076323 0.0000000 2.5361390 ---------------------------------------------------------------------------- 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 (xz) 0.00000000 (xz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 309, Lambda: 0.11 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: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 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 0.908 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.288 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 7.917 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 10.118 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 17.457 ( 0.000 0.000 0.000) 0.000 17.463 ( 0.000 0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 17.882 ( 0.000 0.000 0.000) 0.000 17.923 ( 0.000 0.000 0.000) 0.000 17.938 ( 0.000 0.000 0.000) 0.000 18.089 ( 0.000 0.000 0.000) 0.000 31.406 ( 0.000 0.000 0.000) 0.000 31.418 ( 0.000 0.000 0.000) 0.000 31.461 ( 0.000 0.000 0.000) 0.000 31.473 ( 0.000 0.000 0.000) 0.000 50.743 ( 0.000 0.000 0.000) 0.000 51.152 ( 0.000 0.000 0.000) 0.000 51.402 ( 0.000 0.000 0.000) 0.000 52.801 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 25.635 0.000 0.000) 25.635 0.613 ( 28.395 0.000 0.000) 28.395 1.023 ( 9.665 0.000 0.000) 9.665 1.025 ( 48.004 0.000 0.000) 48.004 1.784 ( 11.213 0.000 0.000) 11.213 2.074 ( -16.107 0.000 0.000) 16.107 2.233 ( -6.808 0.000 0.000) 6.808 2.343 ( -15.917 0.000 0.000) 15.917 2.589 ( 9.734 0.000 0.000) 9.734 2.734 ( 6.608 0.000 0.000) 6.608 2.777 ( 0.522 0.000 0.000) 0.522 2.899 ( -4.648 0.000 0.000) 4.648 2.968 ( 9.623 0.000 0.000) 9.623 3.121 ( 4.222 0.000 0.000) 4.222 3.328 ( -3.469 0.000 0.000) 3.469 3.346 ( -13.204 0.000 0.000) 13.204 3.911 ( 12.996 0.000 0.000) 12.996 3.989 ( -36.874 0.000 0.000) 36.874 4.125 ( -12.839 0.000 0.000) 12.839 4.481 ( -4.172 0.000 0.000) 4.172 4.611 ( 5.627 0.000 0.000) 5.627 4.867 ( -2.792 0.000 0.000) 2.792 5.184 ( 18.739 0.000 0.000) 18.739 5.682 ( -2.612 0.000 0.000) 2.612 5.991 ( 1.745 0.000 0.000) 1.745 6.141 ( 5.267 0.000 0.000) 5.267 6.157 ( -2.044 0.000 0.000) 2.044 6.194 ( 1.452 0.000 0.000) 1.452 6.305 ( 1.618 0.000 0.000) 1.618 6.327 ( -1.409 0.000 0.000) 1.409 6.408 ( 0.862 0.000 0.000) 0.862 6.595 ( -4.536 0.000 0.000) 4.536 6.771 ( 8.469 0.000 0.000) 8.469 6.805 ( 0.209 0.000 0.000) 0.209 6.866 ( -2.440 0.000 0.000) 2.440 6.906 ( -2.020 0.000 0.000) 2.020 6.969 ( -8.143 0.000 0.000) 8.143 7.103 ( 2.196 0.000 0.000) 2.196 7.113 ( -1.320 0.000 0.000) 1.320 7.229 ( -0.818 0.000 0.000) 0.818 7.299 ( 1.775 0.000 0.000) 1.775 7.414 ( 6.477 0.000 0.000) 6.477 7.418 ( -1.115 0.000 0.000) 1.115 7.494 ( 6.191 0.000 0.000) 6.191 7.714 ( 0.980 0.000 0.000) 0.980 7.812 ( -1.158 0.000 0.000) 1.158 7.902 ( -1.133 0.000 0.000) 1.133 8.106 ( -3.351 0.000 0.000) 3.351 8.820 ( 7.113 0.000 0.000) 7.113 9.044 ( 5.812 0.000 0.000) 5.812 9.471 ( -4.064 0.000 0.000) 4.064 9.596 ( -5.152 0.000 0.000) 5.152 10.080 ( -3.135 0.000 0.000) 3.135 10.170 ( -8.567 0.000 0.000) 8.567 10.465 ( 2.783 0.000 0.000) 2.783 10.609 ( -1.261 0.000 0.000) 1.261 17.458 ( 0.042 0.000 0.000) 0.042 17.462 ( -0.068 0.000 0.000) 0.068 17.468 ( 0.206 0.000 0.000) 0.206 17.480 ( -0.087 0.000 0.000) 0.087 17.887 ( 0.482 0.000 0.000) 0.482 17.921 ( -0.278 0.000 0.000) 0.278 18.049 ( 0.293 0.000 0.000) 0.293 18.084 ( -0.483 0.000 0.000) 0.483 31.404 ( -0.057 0.000 0.000) 0.057 31.418 ( -0.308 0.000 0.000) 0.308 31.468 ( 0.540 0.000 0.000) 0.540 31.476 ( 0.220 0.000 0.000) 0.220 50.779 ( 3.436 0.000 0.000) 3.436 51.110 ( -3.959 0.000 0.000) 3.959 52.389 ( 4.343 0.000 0.000) 4.343 52.758 ( -4.046 0.000 0.000) 4.046 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 18.338 0.000 0.000) 18.338 1.138 ( 22.926 0.000 0.000) 22.926 1.186 ( 2.343 0.000 0.000) 2.343 1.528 ( -11.610 0.000 0.000) 11.610 2.062 ( -8.630 0.000 0.000) 8.630 2.069 ( -7.273 0.000 0.000) 7.273 2.109 ( 19.180 0.000 0.000) 19.180 2.161 ( 33.149 0.000 0.000) 33.149 2.610 ( -11.752 0.000 0.000) 11.752 2.793 ( 1.132 0.000 0.000) 1.132 2.820 ( 10.310 0.000 0.000) 10.310 2.828 ( -2.414 0.000 0.000) 2.414 3.101 ( -11.521 0.000 0.000) 11.521 3.119 ( 4.981 0.000 0.000) 4.981 3.168 ( 0.107 0.000 0.000) 0.107 3.174 ( -40.384 0.000 0.000) 40.384 3.455 ( 14.700 0.000 0.000) 14.700 3.802 ( -17.668 0.000 0.000) 17.668 4.160 ( 11.174 0.000 0.000) 11.174 4.357 ( -7.964 0.000 0.000) 7.964 4.716 ( 4.261 0.000 0.000) 4.261 4.794 ( -3.762 0.000 0.000) 3.762 5.474 ( 9.777 0.000 0.000) 9.777 5.610 ( -4.483 0.000 0.000) 4.483 6.040 ( 2.908 0.000 0.000) 2.908 6.103 ( -3.079 0.000 0.000) 3.079 6.235 ( 2.429 0.000 0.000) 2.429 6.274 ( 6.686 0.000 0.000) 6.686 6.286 ( -2.432 0.000 0.000) 2.432 6.339 ( 0.734 0.000 0.000) 0.734 6.423 ( 0.728 0.000 0.000) 0.728 6.485 ( -5.544 0.000 0.000) 5.544 6.815 ( -1.608 0.000 0.000) 1.608 6.820 ( 1.365 0.000 0.000) 1.365 6.832 ( -3.558 0.000 0.000) 3.558 6.859 ( -2.315 0.000 0.000) 2.315 6.960 ( 7.768 0.000 0.000) 7.768 7.073 ( -3.243 0.000 0.000) 3.243 7.155 ( 2.631 0.000 0.000) 2.631 7.202 ( -1.884 0.000 0.000) 1.884 7.342 ( 2.277 0.000 0.000) 2.277 7.386 ( -1.924 0.000 0.000) 1.924 7.532 ( 4.805 0.000 0.000) 4.805 7.582 ( 0.938 0.000 0.000) 0.938 7.743 ( 1.730 0.000 0.000) 1.730 7.780 ( -1.833 0.000 0.000) 1.833 7.907 ( 2.762 0.000 0.000) 2.762 8.007 ( -5.811 0.000 0.000) 5.811 9.049 ( 14.743 0.000 0.000) 14.743 9.198 ( 8.834 0.000 0.000) 8.834 9.336 ( -9.965 0.000 0.000) 9.965 9.408 ( -12.369 0.000 0.000) 12.369 10.018 ( -2.222 0.000 0.000) 2.222 10.023 ( -3.730 0.000 0.000) 3.730 10.526 ( 2.860 0.000 0.000) 2.860 10.576 ( -2.031 0.000 0.000) 2.031 17.459 ( 0.070 0.000 0.000) 0.070 17.460 ( -0.072 0.000 0.000) 0.072 17.473 ( 0.248 0.000 0.000) 0.248 17.478 ( -0.190 0.000 0.000) 0.190 17.899 ( 0.664 0.000 0.000) 0.664 17.912 ( -0.541 0.000 0.000) 0.541 18.058 ( 0.569 0.000 0.000) 0.569 18.071 ( -0.687 0.000 0.000) 0.687 31.405 ( 0.159 0.000 0.000) 0.159 31.411 ( -0.336 0.000 0.000) 0.336 31.477 ( 0.331 0.000 0.000) 0.331 31.480 ( 0.079 0.000 0.000) 0.079 50.876 ( 5.850 0.000 0.000) 5.850 51.003 ( -6.165 0.000 0.000) 6.165 52.506 ( 6.745 0.000 0.000) 6.745 52.646 ( -6.563 0.000 0.000) 6.563 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 18.362 0.000) 18.362 0.538 ( 0.000 28.151 0.000) 28.151 1.036 ( 0.000 51.533 0.000) 51.533 1.202 ( 0.000 22.130 0.000) 22.130 1.871 ( 0.000 20.780 0.000) 20.780 2.193 ( 0.000 -4.848 0.000) 4.848 2.451 ( 0.000 -0.557 0.000) 0.557 2.519 ( 0.000 0.176 0.000) 0.176 2.540 ( 0.000 11.302 0.000) 11.302 2.684 ( 0.000 9.007 0.000) 9.007 2.841 ( 0.000 6.602 0.000) 6.602 3.043 ( 0.000 20.911 0.000) 20.911 3.107 ( 0.000 9.049 0.000) 9.049 3.196 ( 0.000 17.175 0.000) 17.175 3.400 ( 0.000 -0.074 0.000) 0.074 3.592 ( 0.000 -0.354 0.000) 0.354 3.724 ( 0.000 6.440 0.000) 6.440 4.246 ( 0.000 -1.704 0.000) 1.704 4.444 ( 0.000 -6.539 0.000) 6.539 4.510 ( 0.000 -2.205 0.000) 2.205 4.588 ( 0.000 -1.621 0.000) 1.621 4.757 ( 0.000 1.948 0.000) 1.948 4.879 ( 0.000 -3.558 0.000) 3.558 5.685 ( 0.000 -2.441 0.000) 2.441 6.008 ( 0.000 -2.683 0.000) 2.683 6.133 ( 0.000 13.809 0.000) 13.809 6.248 ( 0.000 0.505 0.000) 0.505 6.272 ( 0.000 -1.553 0.000) 1.553 6.395 ( 0.000 2.148 0.000) 2.148 6.400 ( 0.000 3.458 0.000) 3.458 6.409 ( 0.000 13.948 0.000) 13.948 6.577 ( 0.000 2.080 0.000) 2.080 6.676 ( 0.000 0.253 0.000) 0.253 6.716 ( 0.000 -2.359 0.000) 2.359 6.804 ( 0.000 -8.274 0.000) 8.274 6.916 ( 0.000 2.423 0.000) 2.423 7.146 ( 0.000 2.974 0.000) 2.974 7.182 ( 0.000 2.207 0.000) 2.207 7.224 ( 0.000 -1.730 0.000) 1.730 7.238 ( 0.000 7.399 0.000) 7.399 7.269 ( 0.000 -4.936 0.000) 4.936 7.348 ( 0.000 3.637 0.000) 3.637 7.406 ( 0.000 11.273 0.000) 11.273 7.438 ( 0.000 1.303 0.000) 1.303 7.655 ( 0.000 -4.516 0.000) 4.516 7.847 ( 0.000 2.366 0.000) 2.366 7.974 ( 0.000 5.372 0.000) 5.372 8.113 ( 0.000 -2.626 0.000) 2.626 8.769 ( 0.000 1.697 0.000) 1.697 8.977 ( 0.000 -0.079 0.000) 0.079 9.566 ( 0.000 -2.842 0.000) 2.842 9.578 ( 0.000 -6.609 0.000) 6.609 10.077 ( 0.000 -3.972 0.000) 3.972 10.220 ( 0.000 -6.586 0.000) 6.586 10.362 ( 0.000 -6.717 0.000) 6.717 10.959 ( 0.000 -3.765 0.000) 3.765 17.464 ( 0.000 0.654 0.000) 0.654 17.475 ( 0.000 1.221 0.000) 1.221 17.489 ( 0.000 0.719 0.000) 0.719 17.680 ( 0.000 -0.165 0.000) 0.165 17.882 ( 0.000 0.018 0.000) 0.018 17.921 ( 0.000 -0.282 0.000) 0.282 17.937 ( 0.000 -0.114 0.000) 0.114 18.079 ( 0.000 -0.994 0.000) 0.994 31.398 ( 0.000 -0.768 0.000) 0.768 31.407 ( 0.000 -1.007 0.000) 1.007 31.450 ( 0.000 -1.008 0.000) 1.008 31.466 ( 0.000 -0.751 0.000) 0.751 50.734 ( 0.000 -0.862 0.000) 0.862 51.108 ( 0.000 -4.316 0.000) 4.316 51.365 ( 0.000 -3.706 0.000) 3.706 52.678 ( 0.000 -12.016 0.000) 12.016 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 23.841 6.690 0.000) 24.762 0.708 ( 18.802 15.520 0.000) 24.380 1.384 ( 14.611 25.700 0.000) 29.563 1.471 ( 31.397 37.855 0.000) 49.181 1.898 ( 3.312 13.590 0.000) 13.988 2.047 ( -12.089 -1.370 0.000) 12.167 2.314 ( -6.341 6.305 0.000) 8.942 2.385 ( -14.763 3.715 0.000) 15.224 2.583 ( 7.167 1.933 0.000) 7.423 2.788 ( 6.647 5.606 0.000) 8.695 2.974 ( 3.733 14.900 0.000) 15.360 3.026 ( -4.372 10.796 0.000) 11.647 3.111 ( 7.097 14.601 0.000) 16.235 3.263 ( 3.650 13.173 0.000) 13.669 3.327 ( -5.449 0.253 0.000) 5.455 3.369 ( -11.272 3.608 0.000) 11.836 3.915 ( 11.219 1.244 0.000) 11.288 4.043 ( -32.121 5.102 0.000) 32.523 4.113 ( -13.917 -0.807 0.000) 13.941 4.415 ( -3.594 -5.979 0.000) 6.976 4.592 ( 6.286 -1.559 0.000) 6.476 4.829 ( -1.640 -3.291 0.000) 3.677 5.159 ( 17.491 -2.336 0.000) 17.646 5.645 ( -3.257 -3.266 0.000) 4.613 6.022 ( 1.692 -1.409 0.000) 2.201 6.174 ( 3.641 11.255 0.000) 11.829 6.202 ( -1.509 0.855 0.000) 1.734 6.324 ( 0.048 1.855 0.000) 1.856 6.394 ( 0.952 2.687 0.000) 2.851 6.403 ( -0.373 10.607 0.000) 10.614 6.417 ( 1.477 4.867 0.000) 5.087 6.605 ( -5.871 1.231 0.000) 5.998 6.619 ( 2.884 -2.116 0.000) 3.577 6.771 ( 6.638 0.094 0.000) 6.638 6.786 ( -0.299 -7.257 0.000) 7.263 6.998 ( -0.000 2.633 0.000) 2.633 7.026 ( -7.484 2.146 0.000) 7.786 7.089 ( -3.873 -0.135 0.000) 3.876 7.213 ( 0.001 4.438 0.000) 4.438 7.219 ( -0.862 -0.559 0.000) 1.028 7.372 ( 3.998 -0.652 0.000) 4.051 7.388 ( 2.291 7.723 0.000) 8.055 7.480 ( 5.360 5.458 0.000) 7.650 7.507 ( 5.696 0.636 0.000) 5.731 7.681 ( 2.611 -2.199 0.000) 3.414 7.827 ( -1.568 1.618 0.000) 2.253 7.960 ( -1.405 5.492 0.000) 5.669 8.082 ( -3.061 -2.378 0.000) 3.877 8.831 ( 6.578 1.199 0.000) 6.686 9.040 ( 5.751 -0.134 0.000) 5.752 9.499 ( -5.619 -0.120 0.000) 5.620 9.547 ( -4.100 -5.190 0.000) 6.614 10.038 ( -3.256 -4.081 0.000) 5.221 10.110 ( -8.800 -5.950 0.000) 10.622 10.395 ( 2.726 -6.834 0.000) 7.357 10.702 ( -12.337 3.537 0.000) 12.834 17.465 ( 0.107 0.714 0.000) 0.722 17.474 ( -0.074 1.147 0.000) 1.149 17.489 ( 0.033 0.829 0.000) 0.830 17.550 ( -4.774 4.891 0.000) 6.834 17.887 ( 0.443 -0.026 0.000) 0.443 17.918 ( -0.263 -0.267 0.000) 0.375 18.012 ( 2.526 -2.506 0.000) 3.558 18.074 ( -0.486 -0.988 0.000) 1.101 31.397 ( -0.049 -0.750 0.000) 0.751 31.407 ( -0.161 -1.006 0.000) 1.019 31.456 ( 0.422 -1.131 0.000) 1.207 31.462 ( -0.043 -1.068 0.000) 1.069 50.762 ( 3.071 -1.525 0.000) 3.428 51.069 ( -3.683 -4.027 0.000) 5.457 51.914 ( 27.117 -27.210 0.000) 38.415 52.632 ( -4.441 -12.290 0.000) 13.068 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 23.203 1.953 0.000) 23.285 1.164 ( 22.321 8.537 0.000) 23.898 1.541 ( -6.032 27.468 0.000) 28.123 1.598 ( -17.708 9.454 0.000) 20.074 2.045 ( 7.472 0.445 0.000) 7.485 2.101 ( 2.170 9.627 0.000) 9.868 2.180 ( 4.400 6.728 0.000) 8.039 2.356 ( 12.434 11.219 0.000) 16.747 2.690 ( -0.512 11.144 0.000) 11.156 2.789 ( 10.649 1.849 0.000) 10.809 2.957 ( -5.219 8.861 0.000) 10.283 3.020 ( 1.540 16.632 0.000) 16.703 3.147 ( -7.869 7.079 0.000) 10.585 3.238 ( -0.506 10.865 0.000) 10.877 3.301 ( -0.219 12.406 0.000) 12.408 3.317 ( -31.542 13.967 0.000) 34.496 3.450 ( 14.279 -0.273 0.000) 14.281 3.791 ( -17.415 -1.111 0.000) 17.451 4.134 ( 9.900 -2.121 0.000) 10.124 4.308 ( -6.966 -4.395 0.000) 8.236 4.706 ( 4.395 -0.714 0.000) 4.453 4.778 ( -2.991 -1.290 0.000) 3.258 5.433 ( 9.355 -4.038 0.000) 10.189 5.566 ( -4.599 -4.184 0.000) 6.217 6.080 ( 3.705 0.627 0.000) 3.758 6.156 ( -3.279 1.910 0.000) 3.794 6.257 ( 3.775 6.337 0.000) 7.376 6.307 ( -1.319 2.684 0.000) 2.991 6.405 ( 0.858 6.665 0.000) 6.720 6.416 ( 0.566 4.523 0.000) 4.559 6.448 ( 1.447 5.499 0.000) 5.686 6.501 ( -4.228 4.241 0.000) 5.989 6.674 ( 2.585 -4.049 0.000) 4.804 6.730 ( -2.949 -4.653 0.000) 5.509 6.917 ( -1.914 1.595 0.000) 2.492 6.928 ( -3.125 2.976 0.000) 4.315 6.954 ( 7.402 -0.255 0.000) 7.406 7.060 ( -2.289 -0.023 0.000) 2.289 7.196 ( -0.892 0.143 0.000) 0.903 7.199 ( -0.916 -0.780 0.000) 1.203 7.425 ( 1.307 5.478 0.000) 5.631 7.426 ( 1.159 8.360 0.000) 8.440 7.572 ( 3.315 1.383 0.000) 3.592 7.598 ( 1.607 0.477 0.000) 1.677 7.753 ( 3.844 2.550 0.000) 4.612 7.804 ( -0.852 1.907 0.000) 2.088 7.933 ( -0.016 3.203 0.000) 3.203 7.995 ( -4.891 -1.210 0.000) 5.039 9.047 ( 14.064 -0.026 0.000) 14.064 9.192 ( 8.700 -0.386 0.000) 8.709 9.336 ( -11.355 -0.253 0.000) 11.358 9.386 ( -10.550 -2.065 0.000) 10.750 9.968 ( -3.276 -5.436 0.000) 6.347 9.972 ( -2.586 -4.578 0.000) 5.258 10.459 ( 3.477 -6.409 0.000) 7.291 10.541 ( -4.987 -3.514 0.000) 6.100 17.468 ( 0.190 0.871 0.000) 0.891 17.472 ( -0.171 1.020 0.000) 1.034 17.491 ( 0.177 1.256 0.000) 1.269 17.500 ( -0.991 2.450 0.000) 2.643 17.898 ( 0.613 -0.122 0.000) 0.625 17.910 ( -0.504 -0.214 0.000) 0.547 18.043 ( 1.012 -1.377 0.000) 1.708 18.061 ( -0.771 -1.035 0.000) 1.291 31.397 ( 0.134 -0.764 0.000) 0.775 31.402 ( -0.274 -0.846 0.000) 0.889 31.463 ( 0.216 -1.339 0.000) 1.356 31.464 ( 0.101 -1.405 0.000) 1.409 50.852 ( 5.435 -2.381 0.000) 5.933 50.969 ( -5.735 -3.284 0.000) 6.608 52.292 ( 12.847 -18.527 0.000) 22.545 52.502 ( -8.224 -13.738 0.000) 16.011 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 22.767 0.000) 22.767 1.121 ( 0.000 30.341 0.000) 30.341 1.608 ( 0.000 18.650 0.000) 18.650 2.011 ( 0.000 43.989 0.000) 43.989 2.132 ( 0.000 -1.297 0.000) 1.297 2.446 ( 0.000 33.746 0.000) 33.746 2.489 ( 0.000 4.374 0.000) 4.374 2.550 ( 0.000 5.052 0.000) 5.052 2.766 ( 0.000 11.231 0.000) 11.231 2.897 ( 0.000 11.003 0.000) 11.003 2.989 ( 0.000 7.348 0.000) 7.348 3.318 ( 0.000 10.373 0.000) 10.373 3.400 ( 0.000 0.360 0.000) 0.360 3.502 ( 0.000 22.710 0.000) 22.710 3.610 ( 0.000 3.221 0.000) 3.221 3.612 ( 0.000 21.646 0.000) 21.646 3.911 ( 0.000 11.850 0.000) 11.850 4.204 ( 0.000 -2.003 0.000) 2.003 4.284 ( 0.000 -8.925 0.000) 8.925 4.478 ( 0.000 0.810 0.000) 0.810 4.542 ( 0.000 -3.096 0.000) 3.096 4.818 ( 0.000 -1.733 0.000) 1.733 4.842 ( 0.000 7.144 0.000) 7.144 5.616 ( 0.000 -4.431 0.000) 4.431 5.992 ( 0.000 0.814 0.000) 0.814 6.230 ( 0.000 -2.568 0.000) 2.568 6.272 ( 0.000 1.760 0.000) 1.760 6.326 ( 0.000 -7.127 0.000) 7.127 6.380 ( 0.000 5.968 0.000) 5.968 6.412 ( 0.000 0.556 0.000) 0.556 6.616 ( 0.000 1.356 0.000) 1.356 6.642 ( 0.000 -0.203 0.000) 0.203 6.745 ( 0.000 2.545 0.000) 2.545 6.764 ( 0.000 16.523 0.000) 16.523 6.836 ( 0.000 11.703 0.000) 11.703 6.984 ( 0.000 4.107 0.000) 4.107 7.172 ( 0.000 -2.880 0.000) 2.880 7.177 ( 0.000 -3.631 0.000) 3.631 7.190 ( 0.000 0.271 0.000) 0.271 7.195 ( 0.000 1.924 0.000) 1.924 7.394 ( 0.000 6.017 0.000) 6.017 7.412 ( 0.000 -1.140 0.000) 1.140 7.457 ( 0.000 0.991 0.000) 0.991 7.600 ( 0.000 3.687 0.000) 3.687 7.663 ( 0.000 12.926 0.000) 12.926 7.921 ( 0.000 5.193 0.000) 5.193 8.037 ( 0.000 -4.827 0.000) 4.827 8.110 ( 0.000 7.716 0.000) 7.716 8.821 ( 0.000 3.873 0.000) 3.873 9.002 ( 0.000 3.510 0.000) 3.510 9.389 ( 0.000 -12.138 0.000) 12.138 9.485 ( 0.000 -5.297 0.000) 5.297 9.969 ( 0.000 -6.647 0.000) 6.647 10.043 ( 0.000 -10.649 0.000) 10.649 10.182 ( 0.000 -10.853 0.000) 10.853 10.848 ( 0.000 -7.400 0.000) 7.400 17.482 ( 0.000 1.129 0.000) 1.129 17.508 ( 0.000 1.157 0.000) 1.157 17.509 ( 0.000 2.098 0.000) 2.098 17.676 ( 0.000 -0.230 0.000) 0.230 17.883 ( 0.000 0.048 0.000) 0.048 17.913 ( 0.000 -0.482 0.000) 0.482 17.934 ( 0.000 -0.222 0.000) 0.222 18.052 ( 0.000 -1.694 0.000) 1.694 31.378 ( 0.000 -1.082 0.000) 1.082 31.384 ( 0.000 -1.219 0.000) 1.219 31.425 ( 0.000 -1.431 0.000) 1.431 31.446 ( 0.000 -1.150 0.000) 1.150 50.711 ( 0.000 -1.397 0.000) 1.397 50.990 ( 0.000 -7.253 0.000) 7.253 51.263 ( 0.000 -6.331 0.000) 6.331 52.351 ( 0.000 -20.055 0.000) 20.055 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 14.540 16.778 0.000) 22.202 1.120 ( 3.755 24.765 0.000) 25.048 1.778 ( 15.313 14.566 0.000) 21.134 2.040 ( -9.042 1.031 0.000) 9.101 2.303 ( 22.964 40.259 0.000) 46.348 2.358 ( -11.388 26.268 0.000) 28.630 2.442 ( -4.049 8.434 0.000) 9.355 2.487 ( -6.384 7.541 0.000) 9.880 2.690 ( 3.302 10.216 0.000) 10.736 2.936 ( 8.726 8.572 0.000) 12.232 3.235 ( -9.214 7.437 0.000) 11.841 3.272 ( 12.743 14.816 0.000) 19.542 3.364 ( -1.095 5.940 0.000) 6.040 3.415 ( -7.603 4.494 0.000) 8.832 3.485 ( -1.127 19.834 0.000) 19.866 3.685 ( 0.646 22.968 0.000) 22.977 3.983 ( 5.425 6.102 0.000) 8.165 4.053 ( -13.140 -3.127 0.000) 13.507 4.218 ( -19.497 7.095 0.000) 20.748 4.287 ( -5.629 -3.620 0.000) 6.692 4.570 ( 7.225 0.211 0.000) 7.228 4.769 ( 0.388 -1.508 0.000) 1.557 5.107 ( 13.171 -2.328 0.000) 13.375 5.562 ( -4.531 -4.944 0.000) 6.706 6.006 ( 1.679 0.312 0.000) 1.708 6.190 ( -2.008 -1.680 0.000) 2.618 6.321 ( 1.043 -2.394 0.000) 2.611 6.347 ( 2.935 -3.794 0.000) 4.797 6.367 ( -0.770 3.479 0.000) 3.564 6.440 ( 1.506 0.552 0.000) 1.604 6.633 ( 1.673 2.411 0.000) 2.935 6.658 ( 0.701 6.137 0.000) 6.177 6.752 ( -0.594 8.726 0.000) 8.746 6.797 ( -2.518 13.496 0.000) 13.729 6.799 ( 5.234 3.941 0.000) 6.552 7.045 ( 1.387 2.804 0.000) 3.128 7.049 ( -6.561 0.845 0.000) 6.615 7.083 ( -3.469 -0.416 0.000) 3.493 7.198 ( -1.791 -2.327 0.000) 2.937 7.219 ( -0.748 0.560 0.000) 0.935 7.446 ( 4.644 4.458 0.000) 6.437 7.457 ( 3.422 -4.489 0.000) 5.645 7.515 ( 4.761 0.375 0.000) 4.775 7.599 ( 0.736 8.984 0.000) 9.014 7.750 ( 6.443 9.171 0.000) 11.208 7.878 ( -3.585 3.551 0.000) 5.046 8.014 ( -2.194 -4.265 0.000) 4.796 8.101 ( -1.194 8.090 0.000) 8.178 8.875 ( 5.621 3.485 0.000) 6.614 9.061 ( 5.400 3.149 0.000) 6.251 9.389 ( -0.810 -10.313 0.000) 10.345 9.457 ( -3.011 -3.698 0.000) 4.769 9.926 ( -3.645 -6.882 0.000) 7.788 9.949 ( -7.836 -9.654 0.000) 12.434 10.212 ( 2.677 -10.957 0.000) 11.280 10.684 ( -12.903 -4.598 0.000) 13.698 17.484 ( 0.242 1.210 0.000) 1.234 17.506 ( -0.258 1.977 0.000) 1.994 17.511 ( 0.311 1.305 0.000) 1.341 17.615 ( -4.052 1.969 0.000) 4.505 17.886 ( 0.336 -0.026 0.000) 0.337 17.911 ( -0.217 -0.452 0.000) 0.501 17.972 ( 2.437 -1.479 0.000) 2.850 18.047 ( -0.460 -1.658 0.000) 1.721 31.378 ( -0.028 -1.058 0.000) 1.059 31.383 ( -0.073 -1.223 0.000) 1.225 31.428 ( 0.232 -1.522 0.000) 1.540 31.440 ( -0.436 -1.152 0.000) 1.232 50.725 ( 1.885 -2.078 0.000) 2.806 50.959 ( -2.920 -6.748 0.000) 7.352 51.516 ( 19.482 -15.054 0.000) 24.621 52.301 ( -4.884 -20.077 0.000) 20.663 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 16.172 7.714 0.000) 17.917 1.310 ( 10.705 9.314 0.000) 14.190 1.803 ( -9.596 9.203 0.000) 13.295 1.946 ( -18.505 8.275 0.000) 20.271 2.188 ( 19.518 13.609 0.000) 23.795 2.417 ( 0.208 13.101 0.000) 13.102 2.440 ( -0.435 20.973 0.000) 20.977 2.583 ( -10.147 17.261 0.000) 20.023 2.878 ( 11.270 8.132 0.000) 13.898 3.021 ( 9.255 14.564 0.000) 17.255 3.152 ( 3.483 18.345 0.000) 18.673 3.369 ( 1.477 11.986 0.000) 12.076 3.397 ( -0.606 18.585 0.000) 18.595 3.437 ( 11.351 0.252 0.000) 11.353 3.520 ( 1.931 17.138 0.000) 17.246 3.661 ( -2.714 21.770 0.000) 21.938 3.666 ( -23.807 16.450 0.000) 28.938 3.771 ( -17.327 2.345 0.000) 17.485 4.102 ( 5.910 -0.387 0.000) 5.923 4.211 ( -4.537 -4.527 0.000) 6.410 4.703 ( 4.951 0.735 0.000) 5.006 4.765 ( -1.311 0.543 0.000) 1.419 5.326 ( 8.192 -6.281 0.000) 10.323 5.458 ( -5.444 -6.245 0.000) 8.284 6.065 ( 3.796 -0.996 0.000) 3.924 6.141 ( -3.174 -2.161 0.000) 3.839 6.334 ( 0.629 -0.764 0.000) 0.990 6.350 ( -0.900 1.229 0.000) 1.523 6.405 ( 2.449 -2.905 0.000) 3.799 6.444 ( -1.164 -1.812 0.000) 2.153 6.680 ( 2.679 4.658 0.000) 5.373 6.685 ( 2.320 14.045 0.000) 14.235 6.730 ( -1.723 5.089 0.000) 5.373 6.743 ( -2.842 14.100 0.000) 14.384 6.914 ( 2.777 -0.758 0.000) 2.879 6.961 ( -3.927 1.046 0.000) 4.064 6.982 ( 2.682 3.033 0.000) 4.049 7.082 ( -3.343 2.234 0.000) 4.021 7.158 ( 0.087 -2.502 0.000) 2.503 7.187 ( -1.890 -0.105 0.000) 1.893 7.532 ( 3.389 -4.056 0.000) 5.285 7.538 ( 3.134 2.737 0.000) 4.161 7.602 ( 2.124 1.503 0.000) 2.602 7.610 ( -0.027 8.511 0.000) 8.511 7.824 ( -0.095 0.095 0.000) 0.135 7.852 ( 0.950 4.012 0.000) 4.123 7.979 ( 1.064 1.635 0.000) 1.951 8.051 ( -3.704 7.919 0.000) 8.742 9.057 ( 11.819 1.264 0.000) 11.886 9.201 ( 7.755 1.953 0.000) 7.997 9.298 ( -9.445 -3.995 0.000) 10.255 9.352 ( -6.709 -0.697 0.000) 6.745 9.822 ( -2.468 -8.681 0.000) 9.025 9.846 ( -3.542 -7.689 0.000) 8.465 10.290 ( 5.154 -10.109 0.000) 11.347 10.439 ( -9.840 -6.625 0.000) 11.862 17.491 ( 0.390 1.416 0.000) 1.469 17.499 ( -0.388 1.696 0.000) 1.740 17.522 ( 0.867 1.761 0.000) 1.962 17.551 ( -2.151 2.371 0.000) 3.201 17.895 ( 0.472 -0.191 0.000) 0.509 17.904 ( -0.400 -0.354 0.000) 0.534 18.011 ( 1.403 -1.676 0.000) 2.186 18.033 ( -0.852 -1.615 0.000) 1.826 31.378 ( 0.084 -1.062 0.000) 1.065 31.381 ( -0.145 -1.142 0.000) 1.152 31.432 ( 0.126 -1.607 0.000) 1.612 31.434 ( -0.129 -1.444 0.000) 1.450 50.789 ( 4.128 -3.708 0.000) 5.549 50.880 ( -4.504 -5.418 0.000) 7.046 51.891 ( 15.834 -20.205 0.000) 25.670 52.151 ( -9.895 -20.301 0.000) 22.584 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 23.176 0.000) 23.176 1.720 ( 0.000 29.111 0.000) 29.111 1.961 ( 0.000 16.920 0.000) 16.920 2.142 ( 0.000 2.619 0.000) 2.619 2.422 ( 0.000 2.321 0.000) 2.321 2.617 ( 0.000 8.218 0.000) 8.218 2.983 ( 0.000 10.679 0.000) 10.679 3.020 ( 0.000 32.992 0.000) 32.992 3.049 ( 0.000 10.442 0.000) 10.442 3.102 ( 0.000 3.658 0.000) 3.658 3.105 ( 0.000 23.309 0.000) 23.309 3.414 ( 0.000 2.793 0.000) 2.793 3.501 ( 0.000 10.762 0.000) 10.762 3.746 ( 0.000 9.185 0.000) 9.185 3.839 ( 0.000 8.521 0.000) 8.521 3.882 ( 0.000 2.415 0.000) 2.415 4.108 ( 0.000 -8.424 0.000) 8.424 4.182 ( 0.000 16.065 0.000) 16.065 4.219 ( 0.000 5.729 0.000) 5.729 4.468 ( 0.000 -3.901 0.000) 3.901 4.655 ( 0.000 17.863 0.000) 17.863 4.843 ( 0.000 4.741 0.000) 4.741 5.041 ( 0.000 12.325 0.000) 12.325 5.517 ( 0.000 -5.291 0.000) 5.291 6.034 ( 0.000 3.360 0.000) 3.360 6.174 ( 0.000 -2.950 0.000) 2.950 6.187 ( 0.000 -6.109 0.000) 6.109 6.312 ( 0.000 2.121 0.000) 2.121 6.327 ( 0.000 -6.305 0.000) 6.305 6.413 ( 0.000 -0.947 0.000) 0.947 6.616 ( 0.000 -1.446 0.000) 1.446 6.750 ( 0.000 6.713 0.000) 6.713 6.827 ( 0.000 4.457 0.000) 4.457 6.950 ( 0.000 1.326 0.000) 1.326 7.047 ( 0.000 1.201 0.000) 1.201 7.063 ( 0.000 9.077 0.000) 9.077 7.160 ( 0.000 2.746 0.000) 2.746 7.165 ( 0.000 2.838 0.000) 2.838 7.210 ( 0.000 2.292 0.000) 2.292 7.224 ( 0.000 1.121 0.000) 1.121 7.313 ( 0.000 -5.309 0.000) 5.309 7.457 ( 0.000 0.636 0.000) 0.636 7.490 ( 0.000 2.574 0.000) 2.574 7.794 ( 0.000 11.228 0.000) 11.228 7.814 ( 0.000 -1.141 0.000) 1.141 7.961 ( 0.000 -0.556 0.000) 0.556 8.054 ( 0.000 7.963 0.000) 7.963 8.262 ( 0.000 7.160 0.000) 7.160 8.955 ( 0.000 10.822 0.000) 10.822 9.112 ( 0.000 -15.138 0.000) 15.138 9.155 ( 0.000 12.139 0.000) 12.139 9.357 ( 0.000 -7.668 0.000) 7.668 9.826 ( 0.000 -10.366 0.000) 10.366 9.830 ( 0.000 -6.744 0.000) 6.744 9.955 ( 0.000 -11.510 0.000) 11.510 10.667 ( 0.000 -10.718 0.000) 10.718 17.507 ( 0.000 1.330 0.000) 1.330 17.532 ( 0.000 1.225 0.000) 1.225 17.555 ( 0.000 2.414 0.000) 2.414 17.672 ( 0.000 -0.162 0.000) 0.162 17.884 ( 0.000 0.099 0.000) 0.099 17.902 ( 0.000 -0.526 0.000) 0.526 17.928 ( 0.000 -0.315 0.000) 0.315 18.014 ( 0.000 -1.989 0.000) 1.989 31.358 ( 0.000 -0.855 0.000) 0.855 31.364 ( 0.000 -0.659 0.000) 0.659 31.398 ( 0.000 -1.240 0.000) 1.240 31.423 ( 0.000 -1.094 0.000) 1.094 50.683 ( 0.000 -1.376 0.000) 1.376 50.836 ( 0.000 -7.838 0.000) 7.838 51.124 ( 0.000 -7.416 0.000) 7.416 51.917 ( 0.000 -22.819 0.000) 22.819 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 7.087 19.888 0.000) 21.113 1.635 ( -5.549 25.440 0.000) 26.038 2.038 ( 6.687 12.253 0.000) 13.959 2.092 ( -4.610 4.998 0.000) 6.799 2.499 ( 4.911 2.014 0.000) 5.308 2.618 ( -19.323 7.500 0.000) 20.728 2.691 ( 5.012 8.509 0.000) 9.876 3.012 ( 3.873 15.789 0.000) 16.257 3.114 ( 1.416 26.184 0.000) 26.222 3.179 ( 8.209 17.276 0.000) 19.127 3.347 ( -2.848 8.983 0.000) 9.424 3.512 ( 1.212 12.741 0.000) 12.799 3.520 ( 19.586 8.378 0.000) 21.303 3.564 ( -5.560 8.523 0.000) 10.176 3.784 ( -4.673 7.704 0.000) 9.010 3.984 ( -12.281 -2.768 0.000) 12.589 4.051 ( 5.008 9.798 0.000) 11.004 4.170 ( -1.836 -1.111 0.000) 2.146 4.197 ( 1.861 16.260 0.000) 16.366 4.410 ( -7.966 5.485 0.000) 9.671 4.661 ( 1.323 10.473 0.000) 10.556 4.842 ( -0.022 9.767 0.000) 9.767 5.097 ( 5.000 2.244 0.000) 5.480 5.463 ( -4.725 -4.496 0.000) 6.522 6.036 ( 0.449 2.649 0.000) 2.686 6.146 ( -2.039 -2.337 0.000) 3.102 6.227 ( 3.132 -5.117 0.000) 5.999 6.329 ( 1.169 0.316 0.000) 1.211 6.339 ( 0.717 -5.126 0.000) 5.176 6.402 ( -0.931 -1.630 0.000) 1.877 6.646 ( 2.650 -1.456 0.000) 3.024 6.797 ( 1.723 5.251 0.000) 5.526 6.839 ( 3.081 3.227 0.000) 4.462 6.924 ( -1.663 2.690 0.000) 3.162 7.027 ( -2.307 5.389 0.000) 5.862 7.089 ( 2.106 1.529 0.000) 2.602 7.098 ( -3.695 3.556 0.000) 5.128 7.117 ( -3.196 6.430 0.000) 7.180 7.199 ( -1.500 2.860 0.000) 3.229 7.252 ( -0.269 3.331 0.000) 3.342 7.346 ( 4.031 -4.643 0.000) 6.148 7.486 ( 2.876 -0.383 0.000) 2.901 7.535 ( 3.948 1.969 0.000) 4.412 7.750 ( -1.590 2.574 0.000) 3.026 7.879 ( 1.118 0.608 0.000) 1.273 7.969 ( -6.954 5.503 0.000) 8.868 7.975 ( 3.147 3.583 0.000) 4.769 8.258 ( -1.126 7.238 0.000) 7.325 8.992 ( 3.732 9.158 0.000) 9.889 9.151 ( 3.154 -13.161 0.000) 13.533 9.199 ( 3.901 10.843 0.000) 11.523 9.363 ( 0.281 -5.800 0.000) 5.807 9.758 ( -5.818 -8.724 0.000) 10.486 9.786 ( -3.865 -6.496 0.000) 7.558 9.983 ( 2.738 -11.609 0.000) 11.927 10.546 ( -10.784 -8.821 0.000) 13.932 17.511 ( 0.406 1.424 0.000) 1.481 17.538 ( 0.565 1.338 0.000) 1.452 17.549 ( -0.483 2.300 0.000) 2.350 17.641 ( -2.517 0.803 0.000) 2.642 17.886 ( 0.192 0.017 0.000) 0.192 17.901 ( -0.146 -0.486 0.000) 0.508 17.949 ( 1.585 -0.953 0.000) 1.849 18.011 ( -0.366 -1.921 0.000) 1.956 31.358 ( 0.011 -0.820 0.000) 0.820 31.363 ( -0.085 -0.682 0.000) 0.687 31.400 ( 0.184 -1.231 0.000) 1.245 31.418 ( -0.431 -0.995 0.000) 1.084 50.684 ( 0.563 -1.966 0.000) 2.045 50.816 ( -1.870 -7.259 0.000) 7.496 51.259 ( 11.487 -11.485 0.000) 16.243 51.872 ( -4.463 -22.370 0.000) 22.811 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 9.072 13.066 0.000) 15.907 1.560 ( -2.930 14.634 0.000) 14.925 1.994 ( -2.268 11.175 0.000) 11.403 2.080 ( -7.135 7.742 0.000) 10.529 2.416 ( 5.182 9.129 0.000) 10.497 2.555 ( -1.914 3.427 0.000) 3.926 2.809 ( 4.517 13.237 0.000) 13.986 2.916 ( -8.717 12.411 0.000) 15.166 3.172 ( 4.619 19.609 0.000) 20.145 3.255 ( 0.023 11.258 0.000) 11.258 3.441 ( 6.797 0.711 0.000) 6.834 3.569 ( 3.639 7.328 0.000) 8.182 3.642 ( -7.737 1.526 0.000) 7.886 3.691 ( 18.703 30.320 0.000) 35.624 3.705 ( -11.981 2.945 0.000) 12.338 3.883 ( 12.693 17.139 0.000) 21.327 4.064 ( -2.792 12.729 0.000) 13.031 4.078 ( -12.832 11.162 0.000) 17.007 4.196 ( -2.377 15.300 0.000) 15.483 4.200 ( -5.510 9.128 0.000) 10.662 4.731 ( 4.940 1.195 0.000) 5.082 4.817 ( -2.836 4.993 0.000) 5.742 5.220 ( 6.491 -2.858 0.000) 7.092 5.349 ( -6.060 -3.397 0.000) 6.947 6.060 ( 1.827 0.748 0.000) 1.974 6.102 ( -2.171 -1.246 0.000) 2.503 6.293 ( 2.957 -3.054 0.000) 4.251 6.337 ( -1.154 -2.285 0.000) 2.559 6.352 ( 1.151 -2.096 0.000) 2.391 6.378 ( -1.342 -3.373 0.000) 3.630 6.710 ( 3.322 -1.727 0.000) 3.744 6.771 ( -2.588 -0.817 0.000) 2.714 6.910 ( 1.789 2.074 0.000) 2.739 6.964 ( -3.328 3.473 0.000) 4.810 6.965 ( 5.446 9.440 0.000) 10.899 7.048 ( -3.364 9.839 0.000) 10.398 7.057 ( 0.394 3.283 0.000) 3.307 7.107 ( -2.020 -0.041 0.000) 2.021 7.170 ( 0.566 4.849 0.000) 4.882 7.214 ( -2.673 3.704 0.000) 4.568 7.460 ( 6.001 -2.251 0.000) 6.409 7.531 ( -0.028 -1.661 0.000) 1.662 7.646 ( 6.345 1.666 0.000) 6.560 7.725 ( -1.283 2.370 0.000) 2.695 7.828 ( -5.156 0.806 0.000) 5.218 7.830 ( -4.071 -3.503 0.000) 5.371 8.090 ( 6.341 5.984 0.000) 8.719 8.202 ( -4.339 6.244 0.000) 7.604 9.103 ( 6.508 3.472 0.000) 7.376 9.194 ( -0.609 -6.450 0.000) 6.478 9.283 ( 3.572 5.700 0.000) 6.727 9.343 ( -2.518 -0.750 0.000) 2.627 9.661 ( -1.757 -6.344 0.000) 6.583 9.697 ( -4.115 -6.085 0.000) 7.346 10.082 ( 7.492 -10.108 0.000) 12.582 10.292 ( -12.541 -7.650 0.000) 14.690 17.522 ( 0.667 1.676 0.000) 1.803 17.537 ( -0.711 2.010 0.000) 2.132 17.556 ( 1.257 1.582 0.000) 2.020 17.591 ( -2.151 1.601 0.000) 2.681 17.891 ( 0.280 -0.173 0.000) 0.329 17.897 ( -0.251 -0.363 0.000) 0.442 17.979 ( 1.253 -1.510 0.000) 1.962 17.999 ( -0.750 -1.757 0.000) 1.910 31.359 ( 0.080 -0.765 0.000) 0.769 31.361 ( -0.112 -0.725 0.000) 0.734 31.404 ( 0.219 -1.142 0.000) 1.162 31.409 ( -0.339 -0.992 0.000) 1.048 50.713 ( 2.237 -3.705 0.000) 4.328 50.767 ( -2.764 -5.714 0.000) 6.347 51.516 ( 12.433 -17.439 0.000) 21.417 51.736 ( -8.832 -20.839 0.000) 22.634 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 21.577 0.000) 21.577 2.124 ( 0.000 7.356 0.000) 7.356 2.272 ( 0.000 14.255 0.000) 14.255 2.363 ( 0.000 23.412 0.000) 23.412 2.419 ( 0.000 -1.336 0.000) 1.336 2.794 ( 0.000 8.780 0.000) 8.780 3.070 ( 0.000 -3.642 0.000) 3.642 3.138 ( 0.000 0.503 0.000) 0.503 3.193 ( 0.000 10.487 0.000) 10.487 3.301 ( 0.000 2.342 0.000) 2.342 3.488 ( 0.000 3.332 0.000) 3.332 3.507 ( 0.000 10.697 0.000) 10.697 3.801 ( 0.000 -7.605 0.000) 7.605 3.864 ( 0.000 -2.709 0.000) 2.709 3.890 ( 0.000 4.247 0.000) 4.247 3.971 ( 0.000 -4.876 0.000) 4.876 4.037 ( 0.000 36.006 0.000) 36.006 4.409 ( 0.000 10.533 0.000) 10.533 4.430 ( 0.000 1.420 0.000) 1.420 4.515 ( 0.000 16.561 0.000) 16.561 5.003 ( 0.000 10.900 0.000) 10.900 5.065 ( 0.000 20.181 0.000) 20.181 5.293 ( 0.000 12.014 0.000) 12.014 5.416 ( 0.000 -4.620 0.000) 4.620 6.097 ( 0.000 -2.865 0.000) 2.865 6.117 ( 0.000 4.685 0.000) 4.685 6.122 ( 0.000 -1.984 0.000) 1.984 6.217 ( 0.000 -4.240 0.000) 4.240 6.350 ( 0.000 1.556 0.000) 1.556 6.363 ( 0.000 -3.759 0.000) 3.759 6.564 ( 0.000 -3.489 0.000) 3.489 6.859 ( 0.000 -0.839 0.000) 0.839 6.873 ( 0.000 4.709 0.000) 4.709 6.946 ( 0.000 0.743 0.000) 0.743 7.049 ( 0.000 -0.310 0.000) 0.310 7.143 ( 0.000 -0.211 0.000) 0.211 7.161 ( 0.000 -3.416 0.000) 3.416 7.243 ( 0.000 0.740 0.000) 0.740 7.252 ( 0.000 5.211 0.000) 5.211 7.290 ( 0.000 4.370 0.000) 4.370 7.296 ( 0.000 2.806 0.000) 2.806 7.454 ( 0.000 0.397 0.000) 0.397 7.563 ( 0.000 4.720 0.000) 4.720 7.693 ( 0.000 -7.690 0.000) 7.690 7.932 ( 0.000 2.123 0.000) 2.123 7.949 ( 0.000 -2.528 0.000) 2.528 8.218 ( 0.000 7.726 0.000) 7.726 8.364 ( 0.000 1.677 0.000) 1.677 8.832 ( 0.000 -11.174 0.000) 11.174 9.186 ( 0.000 -9.054 0.000) 9.054 9.269 ( 0.000 19.851 0.000) 19.851 9.414 ( 0.000 9.885 0.000) 9.885 9.656 ( 0.000 -6.409 0.000) 6.409 9.741 ( 0.000 -9.857 0.000) 9.857 9.748 ( 0.000 1.060 0.000) 1.060 10.427 ( 0.000 -13.378 0.000) 13.378 17.533 ( 0.000 1.260 0.000) 1.260 17.554 ( 0.000 0.991 0.000) 0.991 17.601 ( 0.000 2.151 0.000) 2.151 17.670 ( 0.000 -0.032 0.000) 0.032 17.887 ( 0.000 0.174 0.000) 0.174 17.893 ( 0.000 -0.362 0.000) 0.362 17.921 ( 0.000 -0.387 0.000) 0.387 17.975 ( 0.000 -1.930 0.000) 1.930 31.346 ( 0.000 -0.353 0.000) 0.353 31.359 ( 0.000 0.065 0.000) 0.065 31.377 ( 0.000 -0.818 0.000) 0.818 31.404 ( 0.000 -0.770 0.000) 0.770 50.661 ( 0.000 -0.711 0.000) 0.711 50.697 ( 0.000 -5.746 0.000) 5.746 50.978 ( 0.000 -7.118 0.000) 7.118 51.474 ( 0.000 -21.285 0.000) 21.285 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 2.347 19.489 0.000) 19.630 2.004 ( -9.008 9.796 0.000) 13.308 2.272 ( 0.237 11.316 0.000) 11.318 2.332 ( -2.598 20.551 0.000) 20.714 2.501 ( 5.443 -1.589 0.000) 5.671 2.706 ( -13.816 2.126 0.000) 13.979 2.897 ( 6.382 11.550 0.000) 13.196 3.211 ( -1.212 8.476 0.000) 8.562 3.309 ( 1.812 2.779 0.000) 3.317 3.446 ( 3.960 0.457 0.000) 3.986 3.464 ( -1.626 2.674 0.000) 3.130 3.587 ( 12.061 3.475 0.000) 12.552 3.649 ( -3.132 0.390 0.000) 3.156 3.826 ( -0.751 -0.505 0.000) 0.905 3.935 ( -3.876 -2.802 0.000) 4.783 4.083 ( 5.196 31.205 0.000) 31.634 4.141 ( 11.185 1.297 0.000) 11.260 4.253 ( -5.750 8.260 0.000) 10.065 4.510 ( 0.201 5.827 0.000) 5.830 4.531 ( 2.938 17.791 0.000) 18.032 4.930 ( -12.021 12.670 0.000) 17.465 5.076 ( 5.254 11.768 0.000) 12.888 5.224 ( -5.601 10.129 0.000) 11.575 5.417 ( -0.632 0.941 0.000) 1.133 6.107 ( -0.609 4.339 0.000) 4.382 6.113 ( -0.705 -0.836 0.000) 1.094 6.139 ( 3.687 -3.298 0.000) 4.947 6.246 ( 2.240 -3.480 0.000) 4.139 6.341 ( -0.720 0.716 0.000) 1.015 6.349 ( -1.307 -3.814 0.000) 4.032 6.586 ( 1.849 -4.089 0.000) 4.487 6.805 ( -4.595 -3.268 0.000) 5.639 6.920 ( 2.038 3.833 0.000) 4.341 6.958 ( 4.008 2.758 0.000) 4.865 7.047 ( -0.532 -0.554 0.000) 0.768 7.113 ( -2.247 0.893 0.000) 2.418 7.130 ( -2.465 -0.209 0.000) 2.474 7.270 ( -0.495 6.167 0.000) 6.187 7.277 ( 0.429 3.571 0.000) 3.596 7.293 ( 3.335 -0.341 0.000) 3.352 7.346 ( 4.559 4.374 0.000) 6.318 7.463 ( 0.886 -0.420 0.000) 0.981 7.595 ( 2.989 3.888 0.000) 4.905 7.667 ( -1.532 -7.487 0.000) 7.642 7.878 ( -3.340 -1.344 0.000) 3.600 8.028 ( 5.098 -0.311 0.000) 5.108 8.081 ( -10.098 5.174 0.000) 11.346 8.364 ( -2.559 2.773 0.000) 3.773 8.895 ( 6.174 -11.540 0.000) 13.087 9.230 ( 3.580 -7.323 0.000) 8.151 9.234 ( -2.812 12.758 0.000) 13.064 9.422 ( -0.570 9.091 0.000) 9.109 9.631 ( -1.977 -3.754 0.000) 4.243 9.722 ( -2.231 -0.001 0.000) 2.231 9.780 ( 4.361 -5.626 0.000) 7.118 10.348 ( -7.322 -10.866 0.000) 13.102 17.539 ( 0.588 1.356 0.000) 1.478 17.562 ( 0.723 1.061 0.000) 1.284 17.594 ( -0.659 2.084 0.000) 2.186 17.652 ( -1.566 0.433 0.000) 1.625 17.887 ( 0.052 0.107 0.000) 0.119 17.893 ( -0.067 -0.323 0.000) 0.330 17.932 ( 0.910 -0.757 0.000) 1.184 17.973 ( -0.229 -1.856 0.000) 1.870 31.347 ( 0.093 -0.292 0.000) 0.307 31.357 ( -0.133 0.044 0.000) 0.140 31.380 ( 0.261 -0.764 0.000) 0.808 31.401 ( -0.290 -0.675 0.000) 0.735 50.652 ( -0.493 -1.086 0.000) 1.193 50.688 ( -0.845 -5.271 0.000) 5.338 51.050 ( 6.340 -9.575 0.000) 11.484 51.441 ( -3.252 -20.567 0.000) 20.822 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 4.259 14.839 0.000) 15.438 1.831 ( -7.157 11.926 0.000) 13.908 2.271 ( -0.706 11.216 0.000) 11.239 2.277 ( -1.953 17.264 0.000) 17.374 2.544 ( -1.095 3.952 0.000) 4.100 2.568 ( -0.055 -1.801 0.000) 1.802 3.044 ( 5.999 11.372 0.000) 12.858 3.125 ( -3.717 9.511 0.000) 10.211 3.410 ( 4.095 3.907 0.000) 5.660 3.438 ( -1.586 2.924 0.000) 3.327 3.457 ( 2.800 1.308 0.000) 3.090 3.593 ( -7.023 -0.639 0.000) 7.052 3.658 ( 2.861 1.557 0.000) 3.257 3.760 ( -6.947 0.068 0.000) 6.948 4.136 ( 16.794 8.590 0.000) 18.864 4.186 ( 2.576 15.863 0.000) 16.070 4.216 ( 3.849 6.012 0.000) 7.138 4.293 ( 6.310 13.038 0.000) 14.484 4.444 ( -5.875 9.549 0.000) 11.212 4.563 ( -13.981 13.667 0.000) 19.551 4.746 ( 7.833 6.013 0.000) 9.875 4.987 ( -11.646 12.855 0.000) 17.345 5.262 ( 6.574 6.656 0.000) 9.355 5.372 ( -3.877 5.577 0.000) 6.792 6.099 ( -0.188 3.247 0.000) 3.253 6.101 ( -0.374 1.122 0.000) 1.183 6.226 ( 4.262 -3.302 0.000) 5.392 6.283 ( 0.271 -2.550 0.000) 2.564 6.315 ( -1.342 -3.261 0.000) 3.526 6.324 ( -0.922 -0.772 0.000) 1.203 6.632 ( 2.774 -5.255 0.000) 5.942 6.706 ( -4.504 -5.003 0.000) 6.732 6.950 ( 2.249 2.176 0.000) 3.129 7.010 ( -3.035 1.331 0.000) 3.314 7.075 ( 1.081 1.083 0.000) 1.530 7.080 ( -0.806 0.149 0.000) 0.819 7.116 ( 5.676 4.684 0.000) 7.359 7.236 ( -3.451 5.916 0.000) 6.849 7.279 ( 0.180 5.066 0.000) 5.069 7.306 ( -1.393 3.580 0.000) 3.842 7.461 ( 4.304 1.981 0.000) 4.738 7.487 ( 0.896 -2.208 0.000) 2.383 7.680 ( 5.219 1.930 0.000) 5.565 7.688 ( 4.923 -4.782 0.000) 6.863 7.792 ( -5.075 -0.342 0.000) 5.086 7.863 ( -10.656 2.729 0.000) 11.000 8.142 ( 5.959 -1.084 0.000) 6.057 8.266 ( -6.014 -0.131 0.000) 6.015 9.046 ( 7.421 -7.893 0.000) 10.834 9.165 ( -4.194 1.016 0.000) 4.315 9.301 ( 3.128 -3.994 0.000) 5.073 9.371 ( -3.740 2.340 0.000) 4.412 9.611 ( 0.826 1.714 0.000) 1.902 9.661 ( -3.337 2.701 0.000) 4.293 9.933 ( 10.011 -3.271 0.000) 10.532 10.154 ( -10.924 -5.881 0.000) 12.406 17.555 ( 0.964 1.601 0.000) 1.868 17.576 ( -1.008 1.883 0.000) 2.136 17.583 ( 1.363 1.164 0.000) 1.792 17.616 ( -1.797 1.020 0.000) 2.066 17.889 ( 0.091 -0.049 0.000) 0.103 17.891 ( -0.098 -0.211 0.000) 0.233 17.951 ( 0.853 -1.293 0.000) 1.549 17.965 ( -0.511 -1.645 0.000) 1.723 31.350 ( 0.175 -0.161 0.000) 0.238 31.354 ( -0.194 -0.034 0.000) 0.197 31.387 ( 0.357 -0.638 0.000) 0.731 31.394 ( -0.370 -0.574 0.000) 0.683 50.651 ( 0.427 -2.366 0.000) 2.404 50.667 ( -1.046 -3.997 0.000) 4.131 51.201 ( 7.713 -14.334 0.000) 16.277 51.344 ( -6.074 -18.291 0.000) 19.273 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.000 18.872 0.000) 18.872 2.221 ( 0.000 4.080 0.000) 4.080 2.386 ( 0.000 -1.821 0.000) 1.821 2.514 ( 0.000 9.566 0.000) 9.566 2.841 ( 0.000 22.668 0.000) 22.668 2.910 ( 0.000 1.476 0.000) 1.476 2.943 ( 0.000 -8.187 0.000) 8.187 3.175 ( 0.000 4.770 0.000) 4.770 3.323 ( 0.000 0.912 0.000) 0.912 3.389 ( 0.000 8.861 0.000) 8.861 3.536 ( 0.000 1.197 0.000) 1.197 3.543 ( 0.000 -3.860 0.000) 3.860 3.640 ( 0.000 -7.671 0.000) 7.671 3.800 ( 0.000 -3.068 0.000) 3.068 3.881 ( 0.000 -4.862 0.000) 4.862 3.888 ( 0.000 -4.555 0.000) 4.555 4.529 ( 0.000 6.899 0.000) 6.899 4.581 ( 0.000 6.453 0.000) 6.453 4.704 ( 0.000 29.411 0.000) 29.411 4.820 ( 0.000 13.842 0.000) 13.842 5.245 ( 0.000 12.522 0.000) 12.522 5.333 ( 0.000 -3.931 0.000) 3.931 5.374 ( 0.000 9.811 0.000) 9.811 5.486 ( 0.000 6.883 0.000) 6.883 6.075 ( 0.000 0.570 0.000) 0.570 6.104 ( 0.000 0.156 0.000) 0.156 6.164 ( 0.000 -1.214 0.000) 1.214 6.195 ( 0.000 1.939 0.000) 1.939 6.306 ( 0.000 -0.113 0.000) 0.113 6.370 ( 0.000 0.447 0.000) 0.447 6.487 ( 0.000 -4.095 0.000) 4.095 6.754 ( 0.000 -8.362 0.000) 8.362 6.973 ( 0.000 4.353 0.000) 4.353 7.001 ( 0.000 4.383 0.000) 4.383 7.042 ( 0.000 -0.404 0.000) 0.404 7.098 ( 0.000 -3.302 0.000) 3.302 7.100 ( 0.000 -2.331 0.000) 2.331 7.240 ( 0.000 -1.403 0.000) 1.403 7.341 ( 0.000 3.533 0.000) 3.533 7.355 ( 0.000 2.945 0.000) 2.945 7.356 ( 0.000 2.436 0.000) 2.436 7.499 ( 0.000 3.911 0.000) 3.911 7.563 ( 0.000 -5.040 0.000) 5.040 7.664 ( 0.000 4.700 0.000) 4.700 7.875 ( 0.000 -4.027 0.000) 4.027 7.910 ( 0.000 -3.157 0.000) 3.157 8.280 ( 0.000 -8.212 0.000) 8.212 8.317 ( 0.000 1.199 0.000) 1.199 8.750 ( 0.000 2.211 0.000) 2.211 9.028 ( 0.000 -6.251 0.000) 6.251 9.458 ( 0.000 -2.063 0.000) 2.063 9.570 ( 0.000 -7.169 0.000) 7.169 9.582 ( 0.000 -0.693 0.000) 0.693 9.669 ( 0.000 18.529 0.000) 18.529 9.904 ( 0.000 10.240 0.000) 10.240 10.145 ( 0.000 -14.685 0.000) 14.685 17.555 ( 0.000 0.974 0.000) 0.974 17.570 ( 0.000 0.552 0.000) 0.552 17.637 ( 0.000 1.496 0.000) 1.496 17.670 ( 0.000 0.005 0.000) 0.005 17.890 ( 0.000 0.021 0.000) 0.021 17.891 ( 0.000 0.264 0.000) 0.264 17.913 ( 0.000 -0.423 0.000) 0.423 17.940 ( 0.000 -1.618 0.000) 1.618 31.344 ( 0.000 0.094 0.000) 0.094 31.364 ( 0.000 -0.511 0.000) 0.511 31.365 ( 0.000 0.468 0.000) 0.468 31.392 ( 0.000 -0.482 0.000) 0.482 50.624 ( 0.000 -1.311 0.000) 1.311 50.658 ( 0.000 0.546 0.000) 0.546 50.848 ( 0.000 -5.866 0.000) 5.866 51.091 ( 0.000 -16.965 0.000) 16.965 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -1.009 17.183 0.000) 17.212 2.139 ( -5.767 5.673 0.000) 8.090 2.443 ( 3.409 -3.826 0.000) 5.124 2.475 ( -2.434 8.226 0.000) 8.578 2.729 ( -7.924 0.905 0.000) 7.975 2.774 ( -5.685 21.467 0.000) 22.207 3.087 ( 7.777 4.326 0.000) 8.899 3.318 ( 6.757 -5.024 0.000) 8.420 3.320 ( -1.695 2.324 0.000) 2.876 3.401 ( 0.588 5.554 0.000) 5.585 3.499 ( -0.271 1.530 0.000) 1.554 3.603 ( 5.225 -3.165 0.000) 6.109 3.617 ( 0.466 -2.094 0.000) 2.146 3.786 ( -0.477 -2.884 0.000) 2.923 3.872 ( 0.495 -3.838 0.000) 3.870 4.061 ( 12.082 -7.763 0.000) 14.361 4.452 ( -3.886 10.199 0.000) 10.914 4.595 ( -6.690 18.606 0.000) 19.772 4.621 ( 0.659 4.469 0.000) 4.517 4.930 ( 7.039 20.938 0.000) 22.089 5.070 ( -16.620 2.425 0.000) 16.796 5.302 ( 4.961 10.877 0.000) 11.955 5.424 ( -5.626 8.435 0.000) 10.139 5.495 ( 3.321 4.639 0.000) 5.705 6.092 ( 1.575 -0.297 0.000) 1.603 6.129 ( 2.332 1.300 0.000) 2.670 6.190 ( 1.289 2.313 0.000) 2.648 6.204 ( 1.645 -0.546 0.000) 1.733 6.282 ( -2.165 -1.092 0.000) 2.425 6.352 ( -1.509 0.276 0.000) 1.534 6.498 ( 0.836 -4.548 0.000) 4.624 6.696 ( -4.812 -7.390 0.000) 8.818 6.994 ( -0.030 4.440 0.000) 4.440 7.033 ( -0.627 -0.558 0.000) 0.840 7.037 ( 5.336 3.978 0.000) 6.656 7.111 ( 0.554 -1.400 0.000) 1.506 7.112 ( 0.430 -1.079 0.000) 1.161 7.292 ( 4.247 -0.576 0.000) 4.286 7.314 ( -0.716 1.013 0.000) 1.240 7.344 ( -1.950 1.671 0.000) 2.568 7.410 ( 6.015 1.654 0.000) 6.238 7.518 ( 0.850 5.337 0.000) 5.404 7.531 ( -2.669 -5.045 0.000) 5.708 7.677 ( 1.364 3.765 0.000) 4.004 7.836 ( -2.130 -2.089 0.000) 2.984 7.969 ( 3.978 -4.706 0.000) 6.162 8.143 ( -8.509 0.672 0.000) 8.535 8.354 ( -3.716 -3.543 0.000) 5.134 8.745 ( 3.928 -2.545 0.000) 4.680 9.083 ( 3.782 -7.492 0.000) 8.393 9.341 ( -8.814 -0.341 0.000) 8.821 9.509 ( -6.531 -4.656 0.000) 8.021 9.616 ( 3.385 2.355 0.000) 4.123 9.737 ( 4.789 11.375 0.000) 12.342 9.912 ( 0.792 9.404 0.000) 9.438 10.125 ( -2.096 -11.428 0.000) 11.618 17.563 ( 0.749 1.047 0.000) 1.287 17.579 ( 0.816 0.595 0.000) 1.010 17.629 ( -0.744 1.478 0.000) 1.654 17.659 ( -1.056 0.220 0.000) 1.079 17.889 ( -0.005 0.045 0.000) 0.045 17.891 ( -0.036 0.242 0.000) 0.244 17.918 ( 0.438 -0.654 0.000) 0.788 17.939 ( -0.099 -1.561 0.000) 1.564 31.346 ( 0.214 0.164 0.000) 0.270 31.363 ( -0.163 0.467 0.000) 0.494 31.368 ( 0.350 -0.475 0.000) 0.590 31.391 ( -0.175 -0.434 0.000) 0.468 50.622 ( -0.171 -1.095 0.000) 1.109 50.646 ( -0.994 0.536 0.000) 1.129 50.880 ( 2.856 -7.499 0.000) 8.024 51.072 ( -1.821 -16.269 0.000) 16.370 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.077 13.433 0.000) 13.433 2.038 ( -3.587 9.294 0.000) 9.963 2.458 ( 0.924 3.625 0.000) 3.741 2.481 ( -0.093 -4.515 0.000) 4.516 2.632 ( -1.634 8.533 0.000) 8.688 2.659 ( -4.277 17.984 0.000) 18.485 3.215 ( 3.577 1.880 0.000) 4.041 3.260 ( -2.390 2.215 0.000) 3.259 3.399 ( 3.281 0.598 0.000) 3.335 3.434 ( 1.075 1.169 0.000) 1.588 3.538 ( 2.723 6.828 0.000) 7.351 3.608 ( -3.497 0.535 0.000) 3.538 3.644 ( 2.487 -2.416 0.000) 3.467 3.726 ( -4.825 -2.853 0.000) 5.605 4.101 ( 17.328 -9.045 0.000) 19.546 4.256 ( 4.562 -10.126 0.000) 11.107 4.410 ( 0.191 11.202 0.000) 11.204 4.484 ( -4.276 10.731 0.000) 11.551 4.598 ( -1.921 5.795 0.000) 6.105 4.702 ( -16.031 5.582 0.000) 16.975 5.094 ( 8.464 19.956 0.000) 21.677 5.271 ( -8.454 13.582 0.000) 15.998 5.420 ( 5.431 7.740 0.000) 9.455 5.503 ( -2.201 5.687 0.000) 6.098 6.136 ( 2.585 1.577 0.000) 3.028 6.184 ( 2.634 -0.039 0.000) 2.634 6.184 ( -1.588 4.909 0.000) 5.159 6.230 ( -2.019 -2.815 0.000) 3.464 6.265 ( 2.757 -1.214 0.000) 3.012 6.316 ( -2.045 -0.205 0.000) 2.056 6.523 ( 2.034 -5.442 0.000) 5.810 6.593 ( -4.671 -6.191 0.000) 7.755 7.002 ( 0.825 3.294 0.000) 3.396 7.019 ( -0.723 0.587 0.000) 0.931 7.092 ( 0.077 1.099 0.000) 1.101 7.104 ( -0.951 1.412 0.000) 1.702 7.191 ( 6.654 2.238 0.000) 7.020 7.292 ( -3.206 0.398 0.000) 3.231 7.328 ( 1.626 -0.858 0.000) 1.839 7.348 ( 0.652 0.653 0.000) 0.923 7.478 ( -0.780 -0.865 0.000) 1.164 7.502 ( -2.106 4.690 0.000) 5.141 7.614 ( 11.665 -1.567 0.000) 11.769 7.714 ( 1.521 1.111 0.000) 1.884 7.800 ( -0.814 1.312 0.000) 1.544 7.930 ( -12.007 3.666 0.000) 12.554 8.065 ( 5.582 -5.865 0.000) 8.096 8.205 ( -8.158 -5.324 0.000) 9.742 8.917 ( 10.753 -4.233 0.000) 11.556 9.139 ( -10.663 -2.000 0.000) 10.849 9.178 ( 6.286 -7.982 0.000) 10.160 9.341 ( -8.991 -5.459 0.000) 10.519 9.707 ( 4.787 6.869 0.000) 8.372 9.780 ( -1.473 8.628 0.000) 8.753 9.962 ( 4.414 3.936 0.000) 5.914 10.058 ( -4.315 -4.169 0.000) 6.000 17.584 ( 1.200 1.222 0.000) 1.713 17.602 ( 1.373 0.648 0.000) 1.518 17.609 ( -1.198 1.391 0.000) 1.836 17.632 ( -1.501 0.541 0.000) 1.595 17.890 ( 0.011 0.106 0.000) 0.107 17.890 ( -0.033 0.180 0.000) 0.183 17.928 ( 0.441 -1.069 0.000) 1.156 17.935 ( -0.253 -1.384 0.000) 1.407 31.352 ( 0.322 0.313 0.000) 0.449 31.358 ( -0.288 0.428 0.000) 0.516 31.377 ( 0.451 -0.399 0.000) 0.603 31.385 ( -0.343 -0.373 0.000) 0.506 50.620 ( 0.076 -0.523 0.000) 0.529 50.627 ( -0.674 0.153 0.000) 0.691 50.949 ( 3.653 -10.935 0.000) 11.529 51.020 ( -3.144 -14.183 0.000) 14.528 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 0.000 3.175 0.000) 3.175 2.347 ( 0.000 -2.234 0.000) 2.234 2.367 ( 0.000 15.012 0.000) 15.012 2.590 ( 0.000 -4.879 0.000) 4.879 2.822 ( 0.000 -0.704 0.000) 0.704 2.875 ( 0.000 -3.533 0.000) 3.533 3.231 ( 0.000 15.341 0.000) 15.341 3.308 ( 0.000 7.269 0.000) 7.269 3.348 ( 0.000 1.163 0.000) 1.163 3.439 ( 0.000 -5.956 0.000) 5.956 3.479 ( 0.000 -1.995 0.000) 1.995 3.515 ( 0.000 -3.859 0.000) 3.859 3.582 ( 0.000 4.978 0.000) 4.978 3.728 ( 0.000 -9.024 0.000) 9.024 3.762 ( 0.000 -0.357 0.000) 0.357 3.797 ( 0.000 -3.798 0.000) 3.798 4.640 ( 0.000 3.531 0.000) 3.531 4.660 ( 0.000 1.484 0.000) 1.484 5.054 ( 0.000 9.493 0.000) 9.493 5.139 ( 0.000 8.939 0.000) 8.939 5.278 ( 0.000 2.931 0.000) 2.931 5.431 ( 0.000 -4.095 0.000) 4.095 5.461 ( 0.000 8.301 0.000) 8.301 5.551 ( 0.000 -0.574 0.000) 0.574 6.105 ( 0.000 1.761 0.000) 1.761 6.117 ( 0.000 0.582 0.000) 0.582 6.161 ( 0.000 0.778 0.000) 0.778 6.186 ( 0.000 -1.467 0.000) 1.467 6.375 ( 0.000 0.489 0.000) 0.489 6.387 ( 0.000 7.054 0.000) 7.054 6.411 ( 0.000 -3.217 0.000) 3.217 6.562 ( 0.000 -10.079 0.000) 10.079 7.036 ( 0.000 -0.068 0.000) 0.068 7.037 ( 0.000 2.107 0.000) 2.107 7.047 ( 0.000 -1.487 0.000) 1.487 7.064 ( 0.000 -0.779 0.000) 0.779 7.103 ( 0.000 4.655 0.000) 4.655 7.188 ( 0.000 -3.588 0.000) 3.588 7.387 ( 0.000 1.102 0.000) 1.102 7.389 ( 0.000 0.852 0.000) 0.852 7.415 ( 0.000 3.241 0.000) 3.241 7.483 ( 0.000 -3.522 0.000) 3.522 7.599 ( 0.000 5.810 0.000) 5.810 7.697 ( 0.000 -2.495 0.000) 2.495 7.821 ( 0.000 -0.831 0.000) 0.831 7.844 ( 0.000 -2.778 0.000) 2.778 8.182 ( 0.000 0.464 0.000) 0.464 8.263 ( 0.000 -5.380 0.000) 5.380 8.836 ( 0.000 5.147 0.000) 5.147 8.931 ( 0.000 -4.347 0.000) 4.347 9.427 ( 0.000 -0.239 0.000) 0.239 9.461 ( 0.000 -3.690 0.000) 3.690 9.648 ( 0.000 7.473 0.000) 7.473 9.862 ( 0.000 -13.301 0.000) 13.301 9.956 ( 0.000 9.591 0.000) 9.591 10.034 ( 0.000 1.722 0.000) 1.722 17.570 ( 0.000 0.530 0.000) 0.530 17.576 ( 0.000 0.008 0.000) 0.008 17.660 ( 0.000 0.759 0.000) 0.759 17.669 ( 0.000 -0.218 0.000) 0.218 17.895 ( 0.000 0.562 0.000) 0.562 17.897 ( 0.000 0.352 0.000) 0.352 17.905 ( 0.000 -0.412 0.000) 0.412 17.912 ( 0.000 -1.134 0.000) 1.134 31.348 ( 0.000 0.321 0.000) 0.321 31.356 ( 0.000 -0.395 0.000) 0.395 31.375 ( 0.000 0.500 0.000) 0.500 31.384 ( 0.000 -0.415 0.000) 0.415 50.655 ( 0.000 4.644 0.000) 4.644 50.685 ( 0.000 2.234 0.000) 2.234 50.748 ( 0.000 -4.111 0.000) 4.111 50.811 ( 0.000 -11.080 0.000) 11.080 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -2.969 5.505 0.000) 6.255 2.321 ( -3.900 13.162 0.000) 13.728 2.355 ( 0.152 -4.989 0.000) 4.991 2.514 ( -5.654 -5.177 0.000) 7.666 2.809 ( 1.111 7.665 0.000) 7.746 2.986 ( 6.502 -9.402 0.000) 11.431 3.137 ( -7.092 14.180 0.000) 15.855 3.320 ( -4.981 -4.201 0.000) 6.517 3.384 ( 6.388 6.935 0.000) 9.429 3.447 ( 0.144 2.546 0.000) 2.550 3.509 ( 6.147 -5.611 0.000) 8.323 3.516 ( 2.532 -2.458 0.000) 3.529 3.661 ( 4.912 7.772 0.000) 9.194 3.748 ( -1.269 -0.191 0.000) 1.284 3.789 ( 0.292 -3.889 0.000) 3.900 3.860 ( 9.063 -11.283 0.000) 14.472 4.612 ( -1.788 5.498 0.000) 5.782 4.667 ( -0.252 -0.095 0.000) 0.269 4.873 ( -11.412 10.379 0.000) 15.426 5.022 ( -13.355 -4.651 0.000) 14.142 5.321 ( 5.362 14.836 0.000) 15.775 5.480 ( 1.728 6.221 0.000) 6.456 5.511 ( 3.743 -4.098 0.000) 5.550 5.527 ( -2.047 1.556 0.000) 2.571 6.117 ( 1.519 2.293 0.000) 2.751 6.149 ( 2.399 -0.137 0.000) 2.403 6.183 ( 1.610 -0.236 0.000) 1.627 6.194 ( 0.779 -1.140 0.000) 1.380 6.361 ( -1.140 1.225 0.000) 1.673 6.363 ( -2.038 7.261 0.000) 7.542 6.413 ( 0.090 -3.789 0.000) 3.790 6.529 ( -2.915 -8.929 0.000) 9.393 7.036 ( 0.416 1.031 0.000) 1.111 7.070 ( 1.778 -2.193 0.000) 2.823 7.073 ( 1.858 2.246 0.000) 2.915 7.096 ( 1.896 -0.571 0.000) 1.980 7.120 ( 3.023 5.346 0.000) 6.141 7.233 ( 3.981 -5.213 0.000) 6.559 7.338 ( -3.037 1.224 0.000) 3.274 7.355 ( -3.135 -0.312 0.000) 3.150 7.436 ( 2.505 1.856 0.000) 3.117 7.475 ( 0.346 -1.806 0.000) 1.839 7.631 ( 1.704 5.440 0.000) 5.700 7.708 ( 0.719 -1.407 0.000) 1.580 7.820 ( 0.345 0.918 0.000) 0.981 7.874 ( 2.363 -4.236 0.000) 4.850 8.154 ( -3.650 2.368 0.000) 4.351 8.249 ( -3.678 -6.143 0.000) 7.160 8.788 ( -0.388 5.743 0.000) 5.756 8.930 ( 0.546 -7.828 0.000) 7.847 9.337 ( -7.947 1.020 0.000) 8.012 9.395 ( -6.537 -4.840 0.000) 8.134 9.719 ( 6.032 7.673 0.000) 9.760 9.904 ( 3.403 -10.556 0.000) 11.091 9.961 ( 0.235 8.295 0.000) 8.299 10.030 ( -0.575 1.533 0.000) 1.637 17.579 ( 0.846 0.561 0.000) 1.016 17.585 ( 0.863 0.021 0.000) 0.864 17.652 ( -0.769 0.747 0.000) 1.072 17.660 ( -0.832 -0.143 0.000) 0.845 17.895 ( 0.017 0.562 0.000) 0.562 17.897 ( -0.021 0.400 0.000) 0.400 17.906 ( 0.132 -0.545 0.000) 0.561 17.912 ( -0.013 -1.105 0.000) 1.106 31.352 ( 0.325 0.372 0.000) 0.494 31.360 ( 0.378 -0.404 0.000) 0.553 31.373 ( -0.154 0.514 0.000) 0.537 31.382 ( -0.138 -0.413 0.000) 0.436 50.654 ( -0.085 4.515 0.000) 4.516 50.677 ( -0.696 2.704 0.000) 2.792 50.755 ( 0.558 -5.128 0.000) 5.159 50.804 ( -0.668 -10.614 0.000) 10.635 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -0.377 8.167 0.000) 8.176 2.241 ( -3.222 10.506 0.000) 10.989 2.361 ( 0.984 -6.998 0.000) 7.067 2.410 ( -3.954 -6.245 0.000) 7.392 2.869 ( 4.622 12.745 0.000) 13.557 2.989 ( -6.900 14.045 0.000) 15.648 3.097 ( 4.751 -9.895 0.000) 10.977 3.200 ( -5.618 -7.193 0.000) 9.127 3.490 ( 2.646 3.938 0.000) 4.745 3.504 ( 3.040 5.817 0.000) 6.564 3.574 ( 2.686 -4.161 0.000) 4.952 3.595 ( 1.244 -3.166 0.000) 3.402 3.719 ( -0.546 4.966 0.000) 4.996 3.728 ( 0.724 11.690 0.000) 11.713 3.891 ( 8.908 -10.766 0.000) 13.973 3.991 ( 1.586 -14.355 0.000) 14.442 4.589 ( 0.400 6.400 0.000) 6.413 4.656 ( 0.166 -0.211 0.000) 0.268 4.668 ( -7.528 7.080 0.000) 10.334 4.750 ( -10.491 -0.965 0.000) 10.536 5.414 ( 3.616 11.580 0.000) 12.131 5.476 ( -2.655 6.560 0.000) 7.077 5.523 ( 1.979 1.812 0.000) 2.684 5.547 ( -0.006 -1.935 0.000) 1.935 6.161 ( 2.456 1.825 0.000) 3.060 6.196 ( -0.482 -0.189 0.000) 0.518 6.196 ( 1.888 -0.707 0.000) 2.016 6.214 ( 0.326 -1.425 0.000) 1.462 6.326 ( -0.870 6.545 0.000) 6.602 6.335 ( -1.236 2.943 0.000) 3.192 6.420 ( 0.979 -4.978 0.000) 5.073 6.462 ( -3.064 -6.887 0.000) 7.538 7.054 ( 1.230 2.770 0.000) 3.031 7.079 ( -0.942 3.882 0.000) 3.995 7.106 ( 1.303 -1.610 0.000) 2.071 7.113 ( 0.428 0.472 0.000) 0.638 7.216 ( 4.398 1.328 0.000) 4.594 7.287 ( -0.041 -4.544 0.000) 4.544 7.287 ( -2.191 -1.127 0.000) 2.464 7.295 ( -1.530 -1.299 0.000) 2.007 7.514 ( 5.713 4.105 0.000) 7.035 7.586 ( 9.159 -2.444 0.000) 9.479 7.621 ( -3.207 5.951 0.000) 6.760 7.707 ( -1.738 -2.273 0.000) 2.861 7.848 ( 3.175 3.552 0.000) 4.764 7.942 ( 4.797 -5.838 0.000) 7.556 8.001 ( -10.498 3.655 0.000) 11.116 8.090 ( -9.412 -5.507 0.000) 10.904 8.901 ( 10.095 2.780 0.000) 10.471 9.013 ( 7.914 -7.811 0.000) 11.119 9.132 ( -11.469 1.838 0.000) 11.616 9.214 ( -10.450 -6.025 0.000) 12.063 9.850 ( 5.997 6.976 0.000) 9.199 9.942 ( -2.696 6.439 0.000) 6.980 9.970 ( 2.673 -5.098 0.000) 5.756 10.009 ( -1.338 -0.169 0.000) 1.349 17.602 ( 1.330 0.635 0.000) 1.474 17.608 ( 1.370 0.031 0.000) 1.370 17.630 ( -1.283 0.706 0.000) 1.464 17.637 ( -1.347 -0.021 0.000) 1.348 17.896 ( 0.031 0.546 0.000) 0.547 17.897 ( -0.032 0.487 0.000) 0.488 17.909 ( 0.129 -0.803 0.000) 0.813 17.911 ( -0.059 -1.004 0.000) 1.006 31.360 ( 0.439 0.470 0.000) 0.643 31.368 ( -0.332 0.523 0.000) 0.619 31.369 ( 0.483 -0.414 0.000) 0.636 31.378 ( -0.334 -0.414 0.000) 0.532 50.654 ( 0.178 4.134 0.000) 4.138 50.662 ( -0.620 3.505 0.000) 3.559 50.769 ( 0.816 -7.238 0.000) 7.284 50.787 ( -0.925 -9.263 0.000) 9.309 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 0.000 0.000 12.432) 12.432 0.619 ( 0.000 0.000 30.517) 30.517 0.848 ( 0.000 0.000 -5.808) 5.808 1.033 ( 0.000 0.000 50.272) 50.272 1.730 ( 0.000 0.000 6.479) 6.479 2.249 ( 0.000 0.000 -19.443) 19.443 2.358 ( 0.000 0.000 4.916) 4.916 2.443 ( 0.000 0.000 -8.129) 8.129 2.456 ( 0.000 0.000 8.792) 8.792 2.607 ( 0.000 0.000 1.948) 1.948 2.721 ( 0.000 0.000 -3.951) 3.951 2.781 ( 0.000 0.000 -2.121) 2.121 3.016 ( 0.000 0.000 0.507) 0.507 3.017 ( 0.000 0.000 0.266) 0.266 3.358 ( 0.000 0.000 -6.179) 6.179 3.554 ( 0.000 0.000 -12.338) 12.338 3.669 ( 0.000 0.000 6.592) 6.592 4.145 ( 0.000 0.000 -20.281) 20.281 4.295 ( 0.000 0.000 2.316) 2.316 4.487 ( 0.000 0.000 -2.899) 2.899 4.809 ( 0.000 0.000 6.269) 6.269 4.846 ( 0.000 0.000 12.173) 12.173 5.069 ( 0.000 0.000 9.543) 9.543 5.637 ( 0.000 0.000 -7.119) 7.119 5.984 ( 0.000 0.000 1.135) 1.135 6.120 ( 0.000 0.000 -2.981) 2.981 6.147 ( 0.000 0.000 0.943) 0.943 6.234 ( 0.000 0.000 -1.009) 1.009 6.235 ( 0.000 0.000 2.677) 2.677 6.294 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 -0.609) 0.609 6.485 ( 0.000 0.000 -11.819) 11.819 6.810 ( 0.000 0.000 0.600) 0.600 6.841 ( 0.000 0.000 -1.214) 1.214 6.851 ( 0.000 0.000 -2.694) 2.694 6.902 ( 0.000 0.000 -2.144) 2.144 7.119 ( 0.000 0.000 3.611) 3.611 7.133 ( 0.000 0.000 7.033) 7.033 7.224 ( 0.000 0.000 7.979) 7.979 7.240 ( 0.000 0.000 0.255) 0.255 7.276 ( 0.000 0.000 -0.331) 0.331 7.380 ( 0.000 0.000 12.128) 12.128 7.392 ( 0.000 0.000 -3.444) 3.444 7.428 ( 0.000 0.000 1.936) 1.936 7.725 ( 0.000 0.000 1.853) 1.853 7.818 ( 0.000 0.000 -0.666) 0.666 7.907 ( 0.000 0.000 -0.951) 0.951 8.115 ( 0.000 0.000 -3.111) 3.111 8.560 ( 0.000 0.000 3.257) 3.257 8.870 ( 0.000 0.000 -9.013) 9.013 9.654 ( 0.000 0.000 5.183) 5.183 9.658 ( 0.000 0.000 1.603) 1.603 10.038 ( 0.000 0.000 -6.845) 6.845 10.324 ( 0.000 0.000 -10.271) 10.271 10.355 ( 0.000 0.000 5.910) 5.910 10.734 ( 0.000 0.000 -3.616) 3.616 17.458 ( 0.000 0.000 0.086) 0.086 17.464 ( 0.000 0.000 0.168) 0.168 17.465 ( 0.000 0.000 -0.076) 0.076 17.479 ( 0.000 0.000 -0.178) 0.178 17.889 ( 0.000 0.000 0.668) 0.668 17.933 ( 0.000 0.000 -0.478) 0.478 17.973 ( 0.000 0.000 1.171) 1.171 18.077 ( 0.000 0.000 -1.196) 1.196 31.404 ( 0.000 0.000 0.248) 0.248 31.450 ( 0.000 0.000 -1.109) 1.109 31.453 ( 0.000 0.000 2.767) 2.767 31.508 ( 0.000 0.000 1.564) 1.564 50.821 ( 0.000 0.000 7.476) 7.476 51.354 ( 0.000 0.000 -4.878) 4.878 52.607 ( 0.000 0.000 0.583) 0.583 52.764 ( 0.000 0.000 -3.372) 3.372 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 23.487 0.000 5.439) 24.109 0.666 ( 15.114 0.000 15.581) 21.708 0.984 ( 11.425 0.000 -3.885) 12.068 1.426 ( 21.133 0.000 22.544) 30.900 1.849 ( 12.908 0.000 9.715) 16.156 2.096 ( -12.490 0.000 0.949) 12.526 2.252 ( -9.621 0.000 1.889) 9.805 2.330 ( 3.135 0.000 -18.674) 18.936 2.357 ( -15.534 0.000 0.855) 15.557 2.745 ( 11.865 0.000 0.859) 11.896 2.761 ( 1.568 0.000 -1.017) 1.869 2.874 ( 0.128 0.000 -2.329) 2.333 2.996 ( 5.544 0.000 2.351) 6.022 3.113 ( 4.044 0.000 -0.896) 4.142 3.258 ( -3.404 0.000 -6.567) 7.397 3.393 ( -10.882 0.000 1.053) 10.933 3.831 ( 6.662 0.000 -5.028) 8.346 4.038 ( -10.472 0.000 -5.578) 11.865 4.202 ( -23.227 0.000 11.982) 26.136 4.430 ( 6.421 0.000 -1.005) 6.499 4.580 ( 0.071 0.000 -0.151) 0.166 4.979 ( -7.053 0.000 3.631) 7.933 5.207 ( 14.597 0.000 3.630) 15.042 5.589 ( -2.271 0.000 -5.131) 5.611 6.001 ( 1.639 0.000 1.030) 1.936 6.120 ( -0.211 0.000 -2.469) 2.478 6.184 ( 3.710 0.000 0.220) 3.717 6.228 ( -0.309 0.000 2.244) 2.265 6.302 ( 2.638 0.000 1.265) 2.926 6.321 ( -1.411 0.000 -0.623) 1.542 6.393 ( 5.184 0.000 -4.055) 6.581 6.537 ( 3.345 0.000 -7.418) 8.137 6.713 ( -2.503 0.000 1.483) 2.910 6.810 ( 0.137 0.000 0.547) 0.564 6.884 ( -1.964 0.000 -4.150) 4.591 6.887 ( -1.375 0.000 -1.588) 2.100 7.034 ( -6.782 0.000 10.475) 12.479 7.134 ( 1.410 0.000 2.858) 3.187 7.193 ( -0.802 0.000 6.491) 6.540 7.233 ( -0.733 0.000 0.321) 0.800 7.294 ( 1.663 0.000 -0.427) 1.717 7.387 ( -0.549 0.000 -2.872) 2.924 7.479 ( 5.863 0.000 6.708) 8.909 7.515 ( 5.504 0.000 1.234) 5.641 7.731 ( 0.568 0.000 1.479) 1.585 7.807 ( -1.029 0.000 -0.540) 1.163 7.903 ( -1.499 0.000 -1.114) 1.868 8.055 ( -5.064 0.000 -5.828) 7.721 8.755 ( 14.393 0.000 -2.136) 14.550 8.956 ( 7.758 0.000 -6.288) 9.986 9.550 ( -8.296 0.000 5.900) 10.180 9.639 ( -3.098 0.000 2.949) 4.277 10.011 ( -2.237 0.000 -5.759) 6.178 10.195 ( -10.534 0.000 -0.909) 10.573 10.382 ( 1.971 0.000 -4.967) 5.343 10.567 ( -8.208 0.000 -2.769) 8.662 17.458 ( 0.044 0.000 0.089) 0.100 17.463 ( -0.076 0.000 0.080) 0.110 17.468 ( 0.196 0.000 -0.006) 0.196 17.479 ( -0.073 0.000 -0.163) 0.179 17.894 ( 0.486 0.000 0.670) 0.828 17.929 ( -0.346 0.000 0.484) 0.594 18.014 ( 2.131 0.000 -1.498) 2.605 18.073 ( -0.419 0.000 -1.111) 1.187 31.399 ( -1.750 0.000 -1.375) 2.225 31.402 ( -1.002 0.000 -0.965) 1.391 31.509 ( 2.986 0.000 3.722) 4.771 31.546 ( 2.065 0.000 4.628) 5.068 50.862 ( 3.959 0.000 7.941) 8.873 51.277 ( -6.428 0.000 5.240) 8.294 52.430 ( -5.757 0.000 3.233) 6.603 52.712 ( -5.027 0.000 -4.413) 6.690 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 17.553 0.000 3.242) 17.849 1.101 ( 23.066 0.000 -0.116) 23.066 1.191 ( 4.621 0.000 0.163) 4.624 1.517 ( -14.827 0.000 -0.862) 14.852 1.902 ( 10.223 0.000 -13.022) 16.556 2.036 ( -7.659 0.000 -1.258) 7.761 2.077 ( -10.319 0.000 -0.396) 10.326 2.185 ( -11.225 0.000 -19.002) 22.070 2.550 ( 32.869 0.000 17.048) 37.027 2.795 ( 1.806 0.000 0.436) 1.858 2.836 ( -2.180 0.000 0.431) 2.222 2.977 ( 13.805 0.000 8.470) 16.196 3.118 ( -17.739 0.000 3.698) 18.120 3.119 ( 4.460 0.000 0.035) 4.460 3.161 ( 0.332 0.000 -0.741) 0.812 3.324 ( -3.074 0.000 -2.579) 4.012 3.538 ( -15.471 0.000 18.940) 24.456 3.722 ( -13.504 0.000 -4.912) 14.369 4.200 ( 10.554 0.000 -1.166) 10.618 4.401 ( -7.612 0.000 2.551) 8.028 4.689 ( 7.389 0.000 0.227) 7.392 4.829 ( -6.853 0.000 2.220) 7.204 5.431 ( 7.530 0.000 -3.550) 8.325 5.537 ( -3.424 0.000 -5.354) 6.355 6.046 ( 2.595 0.000 0.626) 2.670 6.097 ( -2.097 0.000 -0.545) 2.167 6.240 ( 1.547 0.000 0.500) 1.626 6.282 ( -2.238 0.000 -0.454) 2.284 6.285 ( 5.495 0.000 -2.130) 5.893 6.364 ( 0.475 0.000 -0.554) 0.730 6.428 ( 2.009 0.000 -0.066) 2.010 6.517 ( -3.751 0.000 6.943) 7.892 6.746 ( 1.834 0.000 -4.433) 4.798 6.799 ( -4.539 0.000 -2.678) 5.270 6.822 ( 1.087 0.000 0.201) 1.105 6.853 ( -1.804 0.000 -0.567) 1.891 7.021 ( 5.613 0.000 5.595) 7.926 7.144 ( -4.564 0.000 5.787) 7.370 7.171 ( 2.018 0.000 1.547) 2.543 7.209 ( -1.586 0.000 0.658) 1.717 7.334 ( 1.959 0.000 -0.813) 2.121 7.368 ( -1.330 0.000 -1.702) 2.160 7.581 ( 3.415 0.000 4.530) 5.673 7.599 ( 2.172 0.000 0.765) 2.303 7.750 ( 1.259 0.000 0.638) 1.411 7.779 ( -1.533 0.000 -0.118) 1.537 7.872 ( 0.107 0.000 -3.356) 3.358 7.938 ( -5.544 0.000 -7.345) 9.203 9.058 ( 14.275 0.000 -0.344) 14.279 9.154 ( 10.188 0.000 0.241) 10.191 9.360 ( -8.515 0.000 1.217) 8.602 9.485 ( -12.445 0.000 4.964) 13.398 9.970 ( -0.937 0.000 -4.074) 4.181 10.009 ( -5.489 0.000 -2.890) 6.204 10.425 ( 2.071 0.000 -7.473) 7.755 10.469 ( -2.610 0.000 -7.510) 7.951 17.460 ( 0.071 0.000 0.092) 0.116 17.461 ( -0.072 0.000 0.088) 0.113 17.472 ( 0.222 0.000 -0.060) 0.230 17.476 ( -0.164 0.000 -0.120) 0.203 17.906 ( 0.692 0.000 0.672) 0.964 17.920 ( -0.579 0.000 0.639) 0.862 18.044 ( 1.019 0.000 -1.111) 1.508 18.061 ( -0.703 0.000 -0.974) 1.201 31.376 ( -0.338 0.000 -1.822) 1.854 31.382 ( -0.817 0.000 -1.594) 1.791 31.558 ( 1.596 0.000 6.030) 6.238 31.571 ( 0.343 0.000 6.536) 6.545 50.975 ( 6.846 0.000 8.970) 11.284 51.128 ( -7.794 0.000 9.509) 12.295 52.444 ( 5.107 0.000 -4.975) 7.129 52.580 ( -7.312 0.000 -6.139) 9.547 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 19.547 19.975) 27.947 0.805 ( 0.000 17.249 21.849) 27.837 1.205 ( 0.000 26.917 -0.204) 26.918 1.273 ( 0.000 32.940 28.916) 43.831 1.861 ( 0.000 13.439 0.521) 13.449 2.241 ( 0.000 0.257 -17.659) 17.661 2.274 ( 0.000 -2.466 7.411) 7.810 2.426 ( 0.000 -0.212 -8.600) 8.603 2.622 ( 0.000 11.125 7.527) 13.432 2.709 ( 0.000 9.420 2.480) 9.741 2.827 ( 0.000 8.481 -1.831) 8.676 2.965 ( 0.000 15.499 -5.304) 16.382 3.138 ( 0.000 12.255 1.570) 12.355 3.185 ( 0.000 15.677 -1.248) 15.726 3.360 ( 0.000 0.628 -6.295) 6.326 3.625 ( 0.000 7.428 -11.455) 13.653 3.668 ( 0.000 0.393 7.377) 7.387 4.135 ( 0.000 -0.887 -19.472) 19.492 4.287 ( 0.000 -0.711 3.181) 3.260 4.438 ( 0.000 -4.464 -1.220) 4.628 4.794 ( 0.000 -0.350 4.474) 4.487 4.818 ( 0.000 -2.022 11.163) 11.344 5.015 ( 0.000 -5.178 9.320) 10.662 5.581 ( 0.000 -3.568 -7.814) 8.590 6.076 ( 0.000 -2.452 3.281) 4.096 6.140 ( 0.000 12.716 0.749) 12.738 6.222 ( 0.000 0.782 -1.405) 1.608 6.233 ( 0.000 1.302 -1.241) 1.799 6.354 ( 0.000 -1.776 -4.608) 4.938 6.364 ( 0.000 14.124 -3.596) 14.574 6.460 ( 0.000 11.837 1.246) 11.902 6.537 ( 0.000 7.400 -5.666) 9.320 6.674 ( 0.000 -7.324 4.990) 8.863 6.737 ( 0.000 -4.541 -1.977) 4.952 6.889 ( 0.000 2.170 0.088) 2.172 6.890 ( 0.000 -6.527 6.340) 9.100 7.074 ( 0.000 3.699 -3.242) 4.919 7.228 ( 0.000 -5.831 -3.363) 6.731 7.242 ( 0.000 1.949 4.606) 5.002 7.260 ( 0.000 0.762 3.339) 3.425 7.322 ( 0.000 3.895 -0.234) 3.902 7.332 ( 0.000 6.510 3.596) 7.437 7.468 ( 0.000 8.205 7.411) 11.057 7.468 ( 0.000 0.920 2.940) 3.080 7.662 ( 0.000 -4.898 1.586) 5.148 7.839 ( 0.000 2.297 -0.971) 2.494 8.010 ( 0.000 6.720 1.028) 6.798 8.093 ( 0.000 -2.145 -2.435) 3.245 8.684 ( 0.000 6.878 -3.607) 7.767 8.868 ( 0.000 0.083 -8.898) 8.898 9.597 ( 0.000 -6.133 2.068) 6.472 9.621 ( 0.000 -3.187 4.912) 5.855 9.992 ( 0.000 -4.596 -7.017) 8.388 10.260 ( 0.000 -6.204 -9.778) 11.580 10.300 ( 0.000 -5.275 6.678) 8.510 10.783 ( 0.000 1.305 -9.871) 9.957 17.466 ( 0.000 0.701 0.196) 0.728 17.477 ( 0.000 1.266 0.174) 1.278 17.486 ( 0.000 0.708 -0.220) 0.741 17.554 ( 0.000 5.137 -5.290) 7.374 17.889 ( 0.000 -0.038 0.641) 0.642 17.932 ( 0.000 -0.105 -0.471) 0.482 17.958 ( 0.000 -1.117 1.902) 2.206 18.067 ( 0.000 -0.953 -1.157) 1.499 31.397 ( 0.000 -0.692 0.243) 0.733 31.437 ( 0.000 -1.472 2.379) 2.798 31.440 ( 0.000 -0.907 -1.123) 1.444 31.477 ( 0.000 -2.029 1.436) 2.485 50.805 ( 0.000 -1.513 7.070) 7.230 51.318 ( 0.000 -3.607 -4.771) 5.981 51.906 ( 0.000 -40.019 37.427) 54.793 52.633 ( 0.000 -12.705 -4.281) 13.407 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 5.727 14.212 16.525) 22.535 0.966 ( 14.498 17.633 13.704) 26.625 1.355 ( 13.728 27.985 -1.710) 31.218 1.627 ( 14.022 23.376 8.034) 28.418 1.928 ( 6.880 8.261 4.860) 11.798 2.067 ( -6.089 0.239 2.973) 6.780 2.262 ( -2.993 0.302 -11.047) 11.449 2.360 ( -9.241 6.975 1.480) 11.672 2.494 ( -5.631 9.037 -1.700) 10.783 2.785 ( 8.554 5.534 0.558) 10.204 2.954 ( 3.532 15.511 -1.490) 15.978 3.007 ( 1.758 11.259 -1.440) 11.486 3.123 ( 3.647 11.889 1.566) 12.534 3.242 ( 2.339 9.542 -3.378) 10.389 3.287 ( -2.647 5.765 -3.888) 7.440 3.430 ( -10.486 4.873 2.322) 11.794 3.830 ( 4.885 0.429 -4.828) 6.881 4.036 ( -8.625 0.115 -7.504) 11.432 4.223 ( -20.904 2.233 12.302) 24.358 4.409 ( 4.055 -2.074 0.526) 4.585 4.527 ( 1.117 -3.809 -0.996) 4.093 4.937 ( -6.341 -3.761 4.295) 8.532 5.173 ( 14.197 -3.111 2.588) 14.763 5.550 ( -2.233 -3.388 -6.479) 7.645 6.073 ( 0.476 0.482 2.800) 2.881 6.169 ( 1.431 4.128 0.726) 4.428 6.217 ( 1.132 8.465 -0.509) 8.556 6.297 ( 3.177 1.870 -1.688) 4.055 6.360 ( 0.690 0.933 -2.332) 2.605 6.416 ( 3.145 10.013 -0.850) 10.530 6.445 ( -1.024 7.668 -0.515) 7.754 6.560 ( 1.019 4.357 -3.069) 5.426 6.682 ( -2.070 -4.155 5.572) 7.252 6.720 ( 3.480 -2.454 -1.831) 4.635 6.795 ( -2.818 -3.095 0.506) 4.216 6.975 ( -1.560 1.695 -1.462) 2.728 7.042 ( 0.046 -0.034 1.725) 1.726 7.148 ( -5.540 0.760 5.406) 7.778 7.231 ( -1.601 1.489 1.666) 2.748 7.247 ( -0.943 -0.090 1.736) 1.978 7.318 ( 2.827 0.217 -2.905) 4.060 7.384 ( 2.263 7.270 -0.295) 7.620 7.517 ( 4.120 -0.504 0.533) 4.185 7.568 ( 5.895 5.965 6.758) 10.770 7.679 ( 1.688 -2.970 0.955) 3.547 7.819 ( -1.669 1.638 -1.262) 2.657 7.984 ( -2.469 6.196 0.753) 6.712 8.048 ( -3.929 -0.884 -3.869) 5.584 8.797 ( 10.234 2.995 -2.342) 10.917 8.953 ( 7.573 -0.117 -6.306) 9.855 9.547 ( -6.908 -1.053 4.357) 8.234 9.584 ( -2.224 -5.523 2.964) 6.651 9.965 ( -2.353 -4.665 -5.867) 7.856 10.141 ( -10.062 -5.216 -0.965) 11.375 10.322 ( 1.871 -5.788 -3.819) 7.182 10.604 ( -11.397 1.835 -6.695) 13.345 17.467 ( 0.100 0.759 0.189) 0.788 17.476 ( -0.082 1.188 0.162) 1.202 17.487 ( 0.029 0.806 -0.221) 0.836 17.520 ( -1.949 3.947 -1.978) 4.826 17.893 ( 0.457 -0.051 0.644) 0.792 17.927 ( -0.359 -0.219 0.537) 0.682 17.997 ( 2.286 -1.404 -0.671) 2.766 18.063 ( -0.422 -0.951 -1.075) 1.496 31.391 ( -1.783 -0.797 -1.150) 2.266 31.393 ( -0.754 -0.783 -0.958) 1.449 31.488 ( 2.596 -1.870 3.169) 4.503 31.513 ( 2.210 -2.485 3.948) 5.162 50.841 ( 3.577 -1.955 7.566) 8.594 51.229 ( -6.587 -4.772 6.018) 10.118 52.048 ( 10.193 -27.845 11.850) 31.932 52.580 ( -5.070 -12.711 -5.000) 14.569 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 21.960 4.062 1.345) 22.373 1.313 ( 15.484 10.881 7.997) 20.546 1.514 ( -11.447 19.333 -1.415) 22.513 1.598 ( -4.138 20.034 -0.681) 20.468 1.911 ( 6.951 3.674 -12.416) 14.696 2.050 ( -9.232 1.600 -7.256) 11.851 2.167 ( -3.156 8.781 -3.673) 10.028 2.288 ( -7.281 8.903 -5.859) 12.907 2.689 ( 28.626 13.279 11.545) 33.601 2.888 ( 4.931 6.387 3.908) 8.966 2.967 ( -2.633 11.517 0.737) 11.837 3.083 ( 7.453 11.421 5.850) 14.839 3.179 ( -10.866 8.249 1.351) 13.709 3.246 ( 2.976 10.832 0.613) 11.250 3.292 ( -0.241 12.450 -0.871) 12.482 3.337 ( 1.011 1.735 -4.824) 5.225 3.586 ( -19.174 5.309 18.084) 26.886 3.714 ( -13.151 -0.551 -4.158) 13.804 4.186 ( 8.922 -0.882 0.461) 8.977 4.360 ( -6.698 -3.638 3.402) 8.347 4.664 ( 7.612 -1.959 -1.249) 7.959 4.801 ( -6.398 -2.219 1.113) 6.863 5.389 ( 7.269 -4.049 -3.520) 9.035 5.494 ( -3.575 -4.055 -5.518) 7.725 6.104 ( 2.345 2.280 1.259) 3.505 6.155 ( -2.228 2.360 -0.106) 3.248 6.284 ( 4.556 6.436 1.398) 8.008 6.353 ( -0.896 5.798 2.297) 6.301 6.370 ( 2.358 5.409 -2.438) 6.385 6.414 ( -2.008 3.969 -2.481) 5.093 6.462 ( 2.620 6.375 1.877) 7.144 6.539 ( -3.317 3.581 5.415) 7.291 6.664 ( 0.884 -4.624 -0.082) 4.709 6.708 ( -3.084 -4.046 -1.285) 5.247 6.857 ( 4.695 1.020 -4.220) 6.395 6.910 ( -2.379 3.027 -1.014) 3.981 7.040 ( 0.934 1.097 5.909) 6.082 7.097 ( -2.135 -2.814 3.915) 5.273 7.197 ( -0.235 -0.131 0.577) 0.637 7.222 ( -1.628 -0.591 1.696) 2.424 7.376 ( 2.487 4.034 -3.307) 5.778 7.408 ( -0.281 6.449 -1.913) 6.733 7.605 ( 3.868 -1.310 -0.563) 4.123 7.640 ( 0.877 1.537 4.477) 4.814 7.729 ( 2.669 2.650 -0.601) 3.808 7.780 ( -2.238 1.484 -2.756) 3.848 7.932 ( -1.176 4.249 -0.927) 4.506 7.965 ( -3.569 2.432 -2.614) 5.048 9.057 ( 13.627 0.003 -0.172) 13.629 9.143 ( 9.589 -0.964 -0.510) 9.651 9.366 ( -8.873 0.449 1.249) 8.972 9.455 ( -10.980 -2.918 4.776) 12.324 9.920 ( -1.043 -4.971 -3.958) 6.440 9.959 ( -5.491 -4.761 -2.736) 7.765 10.369 ( 2.654 -5.467 -6.704) 9.049 10.440 ( -4.950 -2.920 -7.425) 9.389 17.470 ( 0.178 0.912 0.167) 0.944 17.473 ( -0.170 1.062 0.149) 1.085 17.488 ( 0.132 1.166 -0.246) 1.199 17.495 ( -0.626 2.095 -0.487) 2.240 17.905 ( 0.652 -0.129 0.667) 0.942 17.918 ( -0.555 -0.197 0.660) 0.884 18.031 ( 1.203 -1.149 -0.914) 1.898 18.051 ( -0.753 -0.980 -0.925) 1.544 31.369 ( -0.310 -0.651 -1.751) 1.894 31.375 ( -0.786 -0.661 -1.575) 1.881 31.533 ( 1.461 -2.339 5.368) 6.035 31.542 ( 0.514 -2.478 5.665) 6.205 50.944 ( 6.295 -2.924 8.489) 10.966 51.085 ( -7.228 -4.081 9.068) 12.293 52.253 ( 9.731 -16.970 -3.043) 19.797 52.439 ( -8.321 -13.346 -5.796) 16.761 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 13.464 26.113) 29.380 1.235 ( 0.000 24.663 10.413) 26.771 1.677 ( 0.000 19.959 7.154) 21.202 2.080 ( 0.000 33.229 3.044) 33.368 2.103 ( 0.000 4.381 -5.080) 6.708 2.322 ( 0.000 15.370 -9.040) 17.831 2.455 ( 0.000 24.373 4.367) 24.761 2.462 ( 0.000 4.195 -7.812) 8.868 2.849 ( 0.000 11.715 6.586) 13.439 2.930 ( 0.000 11.380 3.154) 11.809 3.009 ( 0.000 8.963 1.091) 9.030 3.240 ( 0.000 10.533 -6.950) 12.619 3.339 ( 0.000 3.639 -6.183) 7.174 3.530 ( 0.000 17.725 1.196) 17.766 3.539 ( 0.000 16.708 -8.094) 18.566 3.714 ( 0.000 5.885 9.233) 10.949 3.858 ( 0.000 15.216 -4.758) 15.943 4.127 ( 0.000 0.715 -17.665) 17.679 4.267 ( 0.000 -1.356 5.610) 5.772 4.354 ( 0.000 -1.751 4.077) 4.437 4.794 ( 0.000 -0.172 10.454) 10.455 4.831 ( 0.000 4.851 -0.523) 4.879 4.879 ( 0.000 -7.854 6.112) 9.952 5.506 ( 0.000 -4.178 -8.836) 9.774 6.056 ( 0.000 0.221 4.025) 4.031 6.215 ( 0.000 -0.939 -1.164) 1.495 6.231 ( 0.000 1.149 -2.964) 3.179 6.258 ( 0.000 -5.849 -5.170) 7.806 6.425 ( 0.000 8.134 3.209) 8.744 6.514 ( 0.000 -1.147 6.424) 6.525 6.609 ( 0.000 1.888 -0.728) 2.023 6.683 ( 0.000 1.607 2.721) 3.160 6.700 ( 0.000 2.479 -3.131) 3.994 6.760 ( 0.000 15.741 0.574) 15.751 6.855 ( 0.000 8.402 2.000) 8.637 6.952 ( 0.000 4.421 -1.304) 4.609 7.096 ( 0.000 -5.488 -4.419) 7.046 7.148 ( 0.000 3.065 -3.074) 4.341 7.250 ( 0.000 -0.157 4.498) 4.501 7.272 ( 0.000 0.018 5.715) 5.715 7.433 ( 0.000 4.271 -2.215) 4.811 7.449 ( 0.000 -2.877 3.455) 4.496 7.466 ( 0.000 5.189 4.851) 7.104 7.612 ( 0.000 3.016 2.550) 3.949 7.649 ( 0.000 8.776 -0.833) 8.816 7.914 ( 0.000 4.610 -2.059) 5.048 8.037 ( 0.000 -2.618 0.736) 2.720 8.142 ( 0.000 6.678 1.816) 6.921 8.785 ( 0.000 4.392 -3.177) 5.421 8.900 ( 0.000 4.061 -8.425) 9.353 9.422 ( 0.000 -11.136 3.430) 11.652 9.531 ( 0.000 -5.809 4.320) 7.239 9.858 ( 0.000 -8.756 -7.627) 11.612 10.094 ( 0.000 -10.018 -8.507) 13.143 10.166 ( 0.000 -7.585 8.687) 11.532 10.741 ( 0.000 -5.139 -9.048) 10.406 17.484 ( 0.000 1.135 0.238) 1.159 17.505 ( 0.000 1.147 -0.240) 1.172 17.512 ( 0.000 2.167 0.334) 2.192 17.621 ( 0.000 1.969 -4.060) 4.513 17.888 ( 0.000 -0.016 0.552) 0.552 17.929 ( 0.000 -0.202 -0.445) 0.489 17.936 ( 0.000 -0.991 1.832) 2.083 18.041 ( 0.000 -1.618 -1.045) 1.926 31.379 ( 0.000 -1.013 0.197) 1.032 31.403 ( 0.000 -1.747 1.617) 2.380 31.417 ( 0.000 -1.347 -0.983) 1.667 31.442 ( 0.000 -1.512 0.172) 1.521 50.766 ( 0.000 -2.225 5.853) 6.261 51.219 ( 0.000 -6.094 -4.410) 7.523 51.341 ( 0.000 -19.935 27.247) 33.761 52.293 ( 0.000 -20.587 -5.811) 21.391 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.978 19.841 17.022) 26.217 1.256 ( 6.695 15.842 12.864) 21.477 1.810 ( 11.879 16.329 3.577) 20.507 2.016 ( -8.349 2.120 -4.848) 9.885 2.220 ( -6.346 24.157 -8.778) 26.474 2.253 ( 4.993 12.336 -11.424) 17.539 2.479 ( 11.010 22.928 7.462) 26.506 2.540 ( -7.124 18.007 6.205) 20.334 2.691 ( 0.027 11.571 1.742) 11.701 2.935 ( 7.385 8.404 0.126) 11.189 3.233 ( -0.646 8.631 -0.778) 8.690 3.264 ( 7.082 13.760 -1.796) 15.579 3.333 ( -2.584 7.283 -5.660) 9.579 3.370 ( -0.443 10.004 0.165) 10.015 3.577 ( -1.994 16.991 3.957) 17.560 3.681 ( -1.954 19.111 0.696) 19.223 3.872 ( -3.049 4.257 -4.653) 7.005 4.054 ( -3.939 2.397 -9.001) 10.113 4.269 ( -8.050 0.626 8.218) 11.521 4.358 ( -1.197 -1.113 7.052) 7.239 4.529 ( -2.836 6.293 -1.380) 7.039 4.845 ( -2.963 -5.129 4.023) 7.160 5.101 ( 11.394 -3.576 0.268) 11.945 5.467 ( -3.274 -4.815 -7.660) 9.621 6.062 ( 1.234 -0.104 3.785) 3.983 6.184 ( -1.538 -1.438 -0.914) 2.295 6.282 ( 1.899 -2.662 -2.636) 4.200 6.318 ( 5.555 -1.214 -2.201) 6.097 6.448 ( 1.693 5.659 3.873) 7.063 6.508 ( -1.223 -0.986 7.033) 7.206 6.613 ( 0.704 1.520 -1.156) 2.036 6.675 ( -0.474 7.213 1.417) 7.366 6.704 ( 0.441 5.382 -4.344) 6.930 6.778 ( 2.080 10.235 0.019) 10.444 6.829 ( -1.681 9.180 2.249) 9.599 6.981 ( -0.135 1.600 -2.572) 3.032 7.068 ( -0.736 0.447 -1.008) 1.326 7.135 ( -2.642 -1.522 0.932) 3.188 7.180 ( -3.040 -1.114 2.293) 3.968 7.263 ( -1.968 1.194 3.309) 4.031 7.410 ( 0.427 2.056 0.486) 2.155 7.468 ( 3.036 -1.059 -3.166) 4.512 7.558 ( 2.862 8.100 -0.469) 8.604 7.586 ( 0.923 -1.033 3.704) 3.954 7.755 ( 6.706 7.372 0.866) 10.003 7.883 ( -2.391 4.707 -1.202) 5.415 8.008 ( -2.540 -2.186 0.489) 3.387 8.124 ( -1.853 7.108 1.292) 7.459 8.858 ( 7.296 3.588 -1.786) 8.324 8.974 ( 6.668 3.192 -6.607) 9.915 9.428 ( -0.123 -9.888 3.522) 10.497 9.497 ( -3.584 -3.918 3.602) 6.417 9.830 ( -2.477 -8.693 -6.175) 10.947 10.006 ( -8.355 -7.838 -1.358) 11.536 10.170 ( 1.180 -9.056 -0.368) 9.140 10.588 ( -12.335 -3.577 -8.039) 15.152 17.487 ( 0.233 1.215 0.228) 1.258 17.507 ( 0.014 1.486 -0.108) 1.490 17.510 ( -0.012 1.839 0.147) 1.845 17.586 ( -2.562 2.514 -2.365) 4.299 17.892 ( 0.370 -0.068 0.576) 0.688 17.921 ( -0.374 -0.410 0.682) 0.879 17.969 ( 2.022 -1.318 -0.106) 2.416 18.037 ( -0.402 -1.589 -0.975) 1.907 31.370 ( -1.399 -1.116 -0.838) 1.976 31.374 ( -0.663 -1.019 -0.814) 1.463 31.448 ( 1.677 -1.922 1.810) 3.128 31.464 ( 1.650 -2.302 2.395) 3.709 50.791 ( 2.513 -2.925 6.409) 7.480 51.098 ( -6.297 -8.058 7.587) 12.734 51.574 ( 15.205 -19.181 7.939) 25.732 52.242 ( -4.919 -20.305 -5.863) 21.699 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 11.822 13.579 5.064) 18.703 1.417 ( 1.567 5.643 7.088) 9.195 1.823 ( -1.858 11.363 2.913) 11.876 2.017 ( -8.477 6.815 0.643) 10.896 2.117 ( 4.745 17.817 -4.261) 18.924 2.245 ( -1.712 19.071 -14.690) 24.133 2.369 ( 2.454 11.916 -3.050) 12.542 2.560 ( -8.554 18.567 -2.463) 20.590 2.956 ( 11.370 11.215 6.109) 17.099 3.084 ( 3.587 10.517 4.582) 12.020 3.192 ( 8.939 17.220 2.808) 19.604 3.351 ( 8.465 4.506 -4.269) 10.497 3.377 ( 3.879 13.147 0.996) 13.744 3.469 ( -1.548 16.730 1.500) 16.869 3.536 ( 2.340 16.053 1.387) 16.281 3.624 ( -5.248 17.399 -3.042) 18.426 3.693 ( -10.012 3.805 0.679) 10.732 3.793 ( -20.046 12.840 7.675) 25.013 4.190 ( 4.179 1.746 5.402) 7.050 4.290 ( -4.498 -2.235 6.244) 8.013 4.643 ( 7.310 0.784 -3.927) 8.335 4.766 ( -4.772 -0.918 -0.759) 4.918 5.281 ( 6.567 -6.407 -3.629) 9.866 5.388 ( -4.369 -6.231 -5.776) 9.553 6.107 ( 2.664 -0.793 2.493) 3.734 6.153 ( -1.731 -1.589 0.013) 2.350 6.335 ( 3.635 -0.894 1.104) 3.903 6.401 ( 0.680 -1.065 1.803) 2.201 6.449 ( -1.535 -1.283 6.401) 6.707 6.469 ( -1.152 0.363 2.355) 2.647 6.651 ( 3.023 4.549 -2.207) 5.891 6.683 ( 1.450 11.145 -0.059) 11.239 6.699 ( -1.083 7.374 -2.502) 7.862 6.748 ( -4.028 12.669 0.629) 13.309 6.891 ( 5.591 2.526 -2.891) 6.782 6.953 ( -1.054 2.088 -0.150) 2.344 7.051 ( -2.709 0.108 5.314) 5.966 7.062 ( -2.352 0.257 -0.072) 2.367 7.163 ( 1.092 -2.411 0.398) 2.676 7.209 ( -2.830 0.323 1.983) 3.471 7.455 ( 3.387 0.024 -3.206) 4.664 7.518 ( -1.508 1.716 -5.053) 5.546 7.573 ( 3.479 1.455 -3.142) 4.908 7.630 ( -0.170 1.578 -0.053) 1.588 7.833 ( 0.885 2.614 0.023) 2.760 7.865 ( -0.468 7.027 3.111) 7.699 7.983 ( 2.322 2.085 0.442) 3.152 8.065 ( -3.959 6.795 0.708) 7.896 9.067 ( 11.773 1.068 0.364) 11.827 9.134 ( 7.316 0.868 -2.810) 7.885 9.370 ( -6.053 -1.488 1.889) 6.513 9.380 ( -7.138 -3.067 4.284) 8.872 9.784 ( -0.745 -8.181 -3.346) 8.870 9.837 ( -6.055 -6.953 -1.992) 9.433 10.221 ( 4.050 -9.061 -5.076) 11.148 10.352 ( -9.273 -5.873 -7.033) 13.036 17.493 ( 0.383 1.421 0.209) 1.487 17.501 ( -0.393 1.697 0.208) 1.755 17.518 ( 0.724 1.754 -0.345) 1.929 17.541 ( -1.630 2.338 -0.856) 2.976 17.902 ( 0.536 -0.213 0.646) 0.866 17.912 ( -0.479 -0.346 0.700) 0.916 18.004 ( 1.342 -1.534 -0.638) 2.135 18.025 ( -0.791 -1.545 -0.818) 1.919 31.353 ( -0.242 -0.847 -1.568) 1.798 31.359 ( -0.687 -0.891 -1.480) 1.860 31.480 ( 1.146 -2.640 3.769) 4.742 31.488 ( 0.428 -2.765 3.932) 4.826 50.867 ( 4.785 -4.603 7.214) 9.804 50.977 ( -5.740 -6.537 7.902) 11.752 51.870 ( 13.083 -19.957 -1.584) 23.916 52.097 ( -9.186 -19.916 -5.178) 22.535 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 17.119 16.923) 24.072 1.732 ( 0.000 24.108 1.657) 24.165 2.035 ( 0.000 15.644 6.029) 16.766 2.170 ( 0.000 6.022 2.517) 6.527 2.291 ( 0.000 4.078 -11.437) 12.142 2.579 ( 0.000 7.937 -3.631) 8.729 2.921 ( 0.000 16.613 -3.207) 16.920 2.986 ( 0.000 26.153 1.137) 26.178 3.087 ( 0.000 6.762 3.467) 7.599 3.153 ( 0.000 16.294 2.978) 16.564 3.173 ( 0.000 9.060 2.770) 9.474 3.380 ( 0.000 9.208 -6.447) 11.240 3.466 ( 0.000 9.972 -2.039) 10.179 3.767 ( 0.000 8.214 2.642) 8.629 3.782 ( 0.000 8.736 -9.589) 12.971 3.929 ( 0.000 8.682 8.829) 12.382 4.025 ( 0.000 -2.281 -3.723) 4.366 4.224 ( 0.000 11.013 -1.866) 11.170 4.271 ( 0.000 4.440 4.718) 6.479 4.491 ( 0.000 10.532 4.912) 11.621 4.735 ( 0.000 0.442 4.117) 4.141 4.855 ( 0.000 5.425 3.084) 6.240 5.000 ( 0.000 11.694 -3.973) 12.351 5.417 ( 0.000 -4.631 -8.625) 9.790 6.077 ( 0.000 1.684 3.056) 3.490 6.152 ( 0.000 -4.342 -2.271) 4.900 6.189 ( 0.000 -1.610 -0.003) 1.610 6.252 ( 0.000 0.593 -3.907) 3.952 6.401 ( 0.000 -5.660 4.845) 7.451 6.466 ( 0.000 -2.357 5.339) 5.836 6.617 ( 0.000 -2.225 -0.199) 2.234 6.756 ( 0.000 3.521 -2.544) 4.344 6.803 ( 0.000 7.260 1.242) 7.366 6.929 ( 0.000 1.118 -0.810) 1.381 7.022 ( 0.000 2.528 -1.709) 3.051 7.071 ( 0.000 9.381 0.494) 9.394 7.119 ( 0.000 7.271 -1.555) 7.435 7.195 ( 0.000 1.877 -2.187) 2.882 7.255 ( 0.000 1.075 3.735) 3.887 7.275 ( 0.000 0.717 5.858) 5.902 7.329 ( 0.000 -6.361 3.379) 7.203 7.512 ( 0.000 1.744 2.778) 3.280 7.512 ( 0.000 1.202 3.172) 3.392 7.770 ( 0.000 1.895 -4.164) 4.575 7.778 ( 0.000 9.807 -1.139) 9.873 7.905 ( 0.000 -3.504 -4.980) 6.089 8.101 ( 0.000 7.258 3.850) 8.216 8.272 ( 0.000 6.144 0.387) 6.156 8.908 ( 0.000 8.739 -3.392) 9.374 9.066 ( 0.000 12.871 -7.635) 14.965 9.179 ( 0.000 -11.993 5.701) 13.279 9.395 ( 0.000 -7.797 4.005) 8.766 9.662 ( 0.000 -10.279 -8.402) 13.276 9.884 ( 0.000 -10.614 -6.873) 12.645 10.021 ( 0.000 -6.656 10.445) 12.385 10.595 ( 0.000 -9.337 -6.802) 11.552 17.509 ( 0.000 1.318 0.229) 1.338 17.530 ( 0.000 1.233 -0.243) 1.256 17.558 ( 0.000 2.410 0.404) 2.444 17.646 ( 0.000 0.806 -2.226) 2.367 17.888 ( 0.000 0.032 0.438) 0.439 17.918 ( 0.000 -0.833 1.387) 1.618 17.924 ( 0.000 -0.284 -0.398) 0.489 18.006 ( 0.000 -1.885 -0.869) 2.076 31.359 ( 0.000 -0.930 0.085) 0.933 31.376 ( 0.000 -0.909 1.037) 1.379 31.391 ( 0.000 -1.190 -0.763) 1.414 31.417 ( 0.000 -1.072 -0.362) 1.132 50.721 ( 0.000 -2.253 4.327) 4.879 51.025 ( 0.000 -12.968 16.388) 20.898 51.086 ( 0.000 -7.036 -3.766) 7.980 51.855 ( 0.000 -22.675 -6.272) 23.527 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 5.520 16.105 16.011) 23.371 1.662 ( -4.734 22.188 2.974) 22.882 2.084 ( 3.846 12.798 4.674) 14.157 2.098 ( -3.809 6.797 -1.484) 7.932 2.380 ( 4.857 5.855 -9.026) 11.804 2.586 ( 1.211 11.697 -7.170) 13.773 2.688 ( -17.650 5.978 5.277) 19.367 3.006 ( 6.747 15.236 -2.528) 16.853 3.090 ( -4.815 11.719 -2.000) 12.827 3.192 ( 10.650 20.266 1.818) 22.966 3.372 ( 1.341 11.239 0.299) 11.323 3.474 ( 4.399 14.043 -1.894) 14.837 3.542 ( 4.525 7.246 1.876) 8.746 3.563 ( 5.489 12.377 -0.296) 13.543 3.849 ( -6.242 5.743 4.624) 9.660 3.939 ( -6.416 5.663 -1.588) 8.704 4.004 ( 5.047 9.250 -3.787) 11.197 4.192 ( -2.337 11.139 -2.120) 11.578 4.254 ( -0.086 0.522 6.559) 6.580 4.474 ( -3.351 12.066 7.654) 14.676 4.723 ( -2.495 5.038 4.927) 7.475 4.805 ( -1.453 9.413 -3.519) 10.153 5.064 ( 4.689 0.812 -2.808) 5.526 5.372 ( -3.909 -4.097 -7.929) 9.744 6.075 ( 0.295 1.234 2.765) 3.043 6.138 ( -0.915 -2.426 -1.389) 2.942 6.224 ( 2.977 -2.767 0.103) 4.066 6.302 ( 3.753 -0.907 -1.490) 4.139 6.414 ( 0.754 -4.576 4.930) 6.768 6.459 ( -1.176 -2.979 6.307) 7.074 6.622 ( 1.359 -1.750 -2.058) 3.024 6.786 ( 0.606 3.382 -3.598) 4.975 6.825 ( 3.601 5.653 1.477) 6.863 6.902 ( -1.952 1.654 -0.832) 2.690 7.033 ( -1.357 5.392 -0.181) 5.563 7.072 ( 1.761 3.623 -0.945) 4.138 7.085 ( -2.267 6.647 -1.101) 7.109 7.168 ( -2.487 4.621 -0.531) 5.275 7.193 ( -3.919 2.601 3.818) 6.058 7.289 ( -0.642 1.629 3.240) 3.683 7.340 ( 1.685 -4.379 0.769) 4.755 7.505 ( 1.095 0.950 -0.144) 1.456 7.570 ( 2.676 0.457 3.283) 4.260 7.706 ( -1.334 4.360 -3.155) 5.544 7.860 ( 0.310 -0.019 -2.071) 2.094 7.931 ( 5.069 2.596 -3.069) 6.469 8.037 ( -5.080 4.814 5.117) 8.670 8.258 ( -1.781 5.999 -0.394) 6.270 8.965 ( 5.253 7.548 -2.076) 9.428 9.118 ( 4.477 11.350 -6.674) 13.907 9.210 ( 2.787 -10.971 5.098) 12.415 9.399 ( -0.011 -5.722 3.611) 6.766 9.640 ( -1.724 -9.648 -6.819) 11.940 9.851 ( -4.056 -7.423 -3.431) 9.128 9.988 ( -1.497 -8.588 5.132) 10.116 10.473 ( -10.856 -7.687 -6.727) 14.906 17.513 ( 0.397 1.413 0.220) 1.484 17.535 ( 0.472 1.353 -0.293) 1.463 17.553 ( -0.453 2.292 0.388) 2.368 17.623 ( -1.942 1.325 -1.590) 2.838 17.891 ( 0.240 -0.042 0.482) 0.540 17.911 ( -0.317 -0.523 0.810) 1.015 17.946 ( 1.449 -0.977 -0.181) 1.757 18.002 ( -0.324 -1.828 -0.819) 2.029 31.351 ( -0.819 -0.771 -0.672) 1.310 31.357 ( -0.755 -0.679 -0.642) 1.201 31.415 ( 1.239 -1.448 1.098) 2.200 31.426 ( 0.846 -1.479 1.055) 2.004 50.732 ( 1.191 -2.910 4.823) 5.758 50.926 ( -4.730 -8.773 7.996) 12.778 51.261 ( 11.314 -13.099 1.674) 17.390 51.813 ( -4.116 -22.097 -5.894) 23.237 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 4.337 15.886 10.648) 19.610 1.609 ( -1.171 14.171 5.407) 15.213 2.034 ( 1.130 11.305 2.968) 11.743 2.142 ( -4.199 6.889 2.517) 8.451 2.393 ( 0.429 11.141 -1.945) 11.318 2.473 ( -3.875 6.195 -4.369) 8.514 2.673 ( 8.054 13.825 -8.686) 18.205 2.894 ( -11.852 12.238 -6.174) 18.120 3.171 ( 6.424 10.094 -0.291) 11.969 3.260 ( -1.840 8.432 -1.098) 8.700 3.425 ( 5.239 4.215 0.965) 6.793 3.573 ( -1.993 5.222 -0.257) 5.595 3.645 ( 3.950 13.668 0.672) 14.243 3.728 ( 9.994 17.698 3.401) 20.607 3.765 ( -5.636 9.365 5.324) 12.158 3.878 ( 10.682 16.887 0.592) 19.990 4.009 ( -6.116 13.469 -3.021) 15.098 4.104 ( -9.158 17.131 -1.284) 19.467 4.258 ( 2.675 5.492 9.930) 11.658 4.361 ( -6.229 11.420 10.759) 16.881 4.711 ( 2.502 3.955 -1.779) 5.007 4.776 ( -2.571 3.333 -3.875) 5.722 5.168 ( 5.368 -3.472 -4.574) 7.861 5.277 ( -5.166 -3.547 -6.456) 8.997 6.094 ( 1.377 -0.276 1.915) 2.375 6.120 ( -1.013 -1.308 0.329) 1.687 6.297 ( 4.035 -2.641 1.702) 5.115 6.363 ( 0.468 -2.206 2.025) 3.031 6.401 ( -1.281 -2.724 5.792) 6.527 6.424 ( -1.420 -3.108 3.901) 5.186 6.682 ( 3.953 -1.532 -2.754) 5.056 6.757 ( -2.975 -0.023 -1.692) 3.423 6.895 ( 1.833 2.838 -0.902) 3.497 6.929 ( 4.196 4.388 -1.862) 6.351 6.972 ( -2.188 5.442 -0.826) 5.923 7.040 ( -2.684 5.004 -0.792) 5.733 7.097 ( -1.742 6.448 1.611) 6.871 7.118 ( -3.085 4.679 2.402) 6.098 7.152 ( 3.781 2.772 -0.232) 4.694 7.238 ( -3.936 2.992 1.794) 5.259 7.411 ( 4.836 -1.721 -2.981) 5.936 7.502 ( -3.032 -1.618 -3.747) 5.084 7.626 ( 4.286 3.020 -1.796) 5.542 7.702 ( -1.400 3.349 -2.371) 4.336 7.844 ( 0.884 -2.036 2.794) 3.568 7.917 ( -5.178 -0.324 6.470) 8.293 8.074 ( 6.623 5.030 -1.420) 8.437 8.192 ( -4.669 5.044 -1.157) 6.970 9.102 ( 7.240 2.762 -0.080) 7.749 9.190 ( 0.264 2.900 -1.962) 3.511 9.280 ( 4.170 -3.568 1.860) 5.795 9.366 ( -3.570 -1.450 1.762) 4.237 9.629 ( 1.762 -6.328 -2.188) 6.923 9.723 ( -6.835 -3.187 0.696) 7.573 10.028 ( 5.824 -9.852 -4.041) 12.137 10.220 ( -12.256 -6.996 -6.411) 15.500 17.524 ( 0.656 1.662 0.201) 1.799 17.538 ( -0.584 1.926 0.100) 2.016 17.553 ( 0.978 1.692 -0.211) 1.965 17.582 ( -1.795 1.744 -0.751) 2.613 17.897 ( 0.366 -0.219 0.589) 0.728 17.905 ( -0.350 -0.395 0.701) 0.878 17.974 ( 1.157 -1.447 -0.507) 1.921 17.992 ( -0.687 -1.682 -0.694) 1.945 31.339 ( -0.179 -0.482 -1.329) 1.425 31.343 ( -0.526 -0.568 -1.278) 1.494 31.435 ( 0.722 -1.793 2.297) 3.002 31.440 ( 0.286 -1.931 2.406) 3.098 50.772 ( 2.778 -4.689 5.541) 7.773 50.841 ( -3.792 -6.817 6.355) 10.062 51.495 ( 10.947 -17.514 -1.722) 20.726 51.690 ( -7.918 -20.421 -4.515) 22.363 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.000 17.529 8.980) 19.695 2.104 ( 0.000 10.470 -1.496) 10.577 2.250 ( 0.000 12.017 -1.522) 12.113 2.361 ( 0.000 3.045 -4.817) 5.698 2.470 ( 0.000 20.387 8.764) 22.191 2.755 ( 0.000 9.125 -2.920) 9.581 3.106 ( 0.000 -2.852 2.289) 3.657 3.153 ( 0.000 1.445 1.282) 1.931 3.168 ( 0.000 9.814 -2.274) 10.074 3.294 ( 0.000 2.794 -2.656) 3.855 3.399 ( 0.000 5.047 -5.623) 7.556 3.487 ( 0.000 2.289 -1.098) 2.539 3.880 ( 0.000 1.584 1.476) 2.165 3.889 ( 0.000 -4.407 3.577) 5.677 3.941 ( 0.000 -0.770 6.438) 6.484 3.987 ( 0.000 4.989 2.261) 5.477 4.024 ( 0.000 32.110 -0.381) 32.112 4.401 ( 0.000 2.375 -0.128) 2.378 4.469 ( 0.000 12.727 4.624) 13.541 4.568 ( 0.000 10.088 1.191) 10.159 4.948 ( 0.000 10.790 -1.533) 10.898 5.104 ( 0.000 19.236 1.503) 19.295 5.249 ( 0.000 11.205 -4.118) 11.937 5.337 ( 0.000 -2.121 -7.001) 7.315 6.094 ( 0.000 -1.503 0.192) 1.515 6.104 ( 0.000 0.177 0.266) 0.319 6.166 ( 0.000 -0.061 1.137) 1.139 6.228 ( 0.000 -3.070 -0.677) 3.144 6.326 ( 0.000 -1.228 -0.311) 1.267 6.422 ( 0.000 -2.090 5.942) 6.299 6.545 ( 0.000 -3.882 -1.884) 4.315 6.815 ( 0.000 1.000 -4.643) 4.749 6.901 ( 0.000 3.339 3.087) 4.548 6.944 ( 0.000 1.732 0.420) 1.783 7.064 ( 0.000 1.063 1.225) 1.622 7.166 ( 0.000 0.492 1.107) 1.211 7.193 ( 0.000 -3.543 3.006) 4.647 7.231 ( 0.000 1.460 -0.863) 1.696 7.258 ( 0.000 2.919 -2.408) 3.784 7.299 ( 0.000 2.677 0.856) 2.811 7.313 ( 0.000 3.071 5.508) 6.306 7.491 ( 0.000 -0.690 3.026) 3.104 7.588 ( 0.000 4.553 1.915) 4.940 7.700 ( 0.000 -6.394 0.524) 6.416 7.873 ( 0.000 -1.144 -6.826) 6.921 7.886 ( 0.000 0.636 -4.160) 4.208 8.240 ( 0.000 6.126 1.848) 6.399 8.367 ( 0.000 2.504 -0.221) 2.514 8.877 ( 0.000 -10.069 4.581) 11.062 9.209 ( 0.000 -8.469 1.589) 8.617 9.259 ( 0.000 18.571 -0.784) 18.587 9.375 ( 0.000 12.595 -3.363) 13.036 9.487 ( 0.000 -5.470 -9.287) 10.778 9.686 ( 0.000 -9.191 -5.339) 10.629 9.918 ( 0.000 -3.072 9.975) 10.438 10.380 ( 0.000 -12.066 -4.512) 12.882 17.535 ( 0.000 1.234 0.190) 1.249 17.552 ( 0.000 1.016 -0.212) 1.038 17.604 ( 0.000 2.090 0.322) 2.115 17.658 ( 0.000 0.456 -1.107) 1.197 17.890 ( 0.000 0.098 0.319) 0.334 17.904 ( 0.000 -0.582 0.961) 1.123 17.918 ( 0.000 -0.341 -0.323) 0.470 17.969 ( 0.000 -1.808 -0.647) 1.920 31.346 ( 0.000 -0.367 0.005) 0.367 31.366 ( 0.000 -0.119 0.672) 0.683 31.372 ( 0.000 -0.742 -0.577) 0.940 31.400 ( 0.000 -0.658 -0.369) 0.754 50.681 ( 0.000 -1.743 2.931) 3.410 50.813 ( 0.000 -8.288 9.957) 12.955 50.949 ( 0.000 -6.627 -2.883) 7.227 51.421 ( 0.000 -20.528 -5.314) 21.204 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 3.120 15.963 9.722) 18.949 2.018 ( -5.836 12.610 1.928) 14.028 2.275 ( 1.952 9.997 -0.519) 10.199 2.372 ( -3.172 14.503 -1.087) 14.885 2.472 ( 3.515 6.072 2.331) 7.393 2.755 ( -11.937 2.172 4.322) 12.880 2.823 ( 0.928 11.655 -4.855) 12.660 3.212 ( 3.570 8.738 -3.305) 10.002 3.225 ( -3.175 2.780 -6.408) 7.673 3.378 ( -0.651 3.300 -5.120) 6.126 3.479 ( 0.546 3.332 -1.082) 3.545 3.537 ( 9.933 -6.159 1.895) 11.840 3.770 ( 2.243 6.167 4.587) 8.006 3.867 ( -3.258 0.342 2.692) 4.241 3.968 ( -0.496 -2.701 6.333) 6.903 4.069 ( 5.145 27.666 -0.354) 28.142 4.167 ( 10.597 7.081 0.643) 12.762 4.315 ( -2.792 5.525 5.167) 8.064 4.449 ( -2.094 13.007 -0.906) 13.205 4.634 ( 3.468 8.297 4.241) 9.943 4.908 ( -8.861 11.709 -0.578) 14.695 5.067 ( 1.858 11.717 -0.916) 11.899 5.178 ( -6.186 10.622 -4.321) 13.029 5.347 ( -0.135 3.184 -6.350) 7.104 6.091 ( -0.080 -0.090 -1.408) 1.413 6.122 ( 0.760 1.061 1.400) 1.914 6.170 ( 1.541 -2.413 1.262) 3.129 6.263 ( 3.035 -2.899 0.479) 4.224 6.354 ( 1.892 -1.023 1.770) 2.786 6.404 ( -1.920 -2.613 6.165) 6.966 6.555 ( 1.316 -4.215 -2.792) 5.224 6.795 ( -3.312 -2.485 -2.166) 4.673 6.908 ( 1.356 3.730 -0.195) 3.973 6.939 ( 0.580 2.521 -0.650) 2.667 7.076 ( 0.182 0.755 1.604) 1.782 7.106 ( -2.240 -0.057 0.689) 2.344 7.176 ( -2.338 2.464 1.670) 3.786 7.245 ( -0.739 0.945 -1.662) 2.049 7.293 ( 0.804 2.714 1.264) 3.100 7.307 ( 2.847 4.799 1.061) 5.680 7.332 ( 2.435 2.069 0.704) 3.272 7.495 ( -0.398 -0.403 1.700) 1.792 7.613 ( 2.541 2.905 1.795) 4.257 7.685 ( 0.031 -5.158 1.893) 5.495 7.830 ( -2.211 -0.726 -4.274) 4.866 7.976 ( 5.513 -0.812 -4.631) 7.246 8.118 ( -9.211 3.205 3.134) 10.244 8.345 ( -3.592 2.208 -2.060) 4.692 8.944 ( 6.153 -9.717 4.587) 12.382 9.205 ( -0.793 4.016 -0.713) 4.155 9.286 ( 2.455 0.724 2.993) 3.938 9.380 ( -1.139 10.775 -3.541) 11.399 9.493 ( 1.722 -2.910 -7.754) 8.460 9.720 ( 4.001 -5.368 -5.794) 8.854 9.866 ( -4.877 -2.408 8.701) 10.262 10.297 ( -7.698 -9.720 -4.828) 13.306 17.541 ( 0.581 1.332 0.184) 1.465 17.559 ( 0.668 1.101 -0.251) 1.312 17.597 ( -0.646 2.023 0.316) 2.147 17.643 ( -1.349 0.775 -0.874) 1.784 17.891 ( 0.103 0.030 0.367) 0.382 17.901 ( -0.179 -0.438 0.748) 0.885 17.929 ( 0.867 -0.739 -0.277) 1.172 17.967 ( -0.204 -1.742 -0.619) 1.860 31.342 ( -0.356 -0.159 -0.482) 0.620 31.349 ( -0.728 -0.060 -0.614) 0.954 31.392 ( 1.003 -0.859 0.848) 1.569 31.404 ( 0.391 -0.817 0.365) 0.977 50.681 ( 0.127 -2.108 3.244) 3.871 50.769 ( -2.801 -6.598 6.567) 9.721 51.036 ( 6.659 -9.839 -0.886) 11.914 51.392 ( -2.835 -19.825 -4.850) 20.605 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 4.018 13.593 10.537) 17.662 1.918 ( -4.068 14.154 8.126) 16.820 2.295 ( -0.536 11.026 0.759) 11.065 2.300 ( -2.064 12.608 1.354) 12.848 2.537 ( 1.459 2.013 -1.276) 2.795 2.563 ( -3.763 5.160 2.455) 6.842 2.919 ( 6.399 11.861 -9.051) 16.235 3.078 ( -8.599 7.959 -7.260) 13.784 3.311 ( 4.610 4.699 -6.049) 8.939 3.372 ( -1.120 2.530 -5.774) 6.403 3.494 ( 1.928 1.919 1.527) 3.120 3.560 ( -3.505 -4.158 1.448) 5.628 3.790 ( 1.020 3.945 7.220) 8.291 3.854 ( -3.876 0.415 7.763) 8.687 4.094 ( 10.824 11.490 -1.963) 15.907 4.221 ( 1.324 9.982 0.433) 10.079 4.237 ( 7.418 16.235 2.389) 18.009 4.377 ( 4.364 6.559 4.951) 9.304 4.422 ( -0.382 10.002 0.925) 10.052 4.626 ( -15.397 7.029 5.306) 17.738 4.738 ( 7.919 8.957 0.035) 11.955 4.958 ( -11.339 13.596 -2.552) 17.887 5.205 ( 6.146 7.142 -5.260) 10.791 5.309 ( -3.630 6.728 -5.926) 9.673 6.097 ( 0.723 0.595 -0.813) 1.240 6.116 ( -0.895 1.000 -0.039) 1.343 6.239 ( 4.333 -3.094 2.881) 6.054 6.316 ( -0.818 -2.536 2.510) 3.661 6.350 ( -0.034 -2.190 5.619) 6.030 6.378 ( -0.514 -1.178 3.445) 3.677 6.606 ( 3.628 -5.429 -2.698) 7.065 6.698 ( -5.157 -4.956 -1.222) 7.256 6.934 ( 1.773 2.193 -1.214) 3.070 6.972 ( -0.178 1.213 -2.748) 3.009 7.043 ( 0.353 2.521 -1.509) 2.959 7.090 ( -2.386 1.000 -0.155) 2.592 7.171 ( 2.569 3.084 3.124) 5.087 7.230 ( -1.974 3.915 -0.988) 4.495 7.267 ( 0.858 5.354 1.039) 5.521 7.326 ( -2.533 4.637 0.883) 5.357 7.425 ( 4.674 2.948 -2.020) 5.884 7.478 ( -0.945 -0.583 -1.379) 1.771 7.685 ( 4.062 2.280 0.574) 4.693 7.736 ( 4.287 -1.684 2.719) 5.349 7.774 ( -2.418 -1.983 -0.154) 3.130 7.906 ( -9.707 -0.228 3.828) 10.437 8.106 ( 6.190 -2.040 -3.256) 7.285 8.236 ( -6.293 -0.902 -3.048) 7.050 9.088 ( 6.873 -6.622 3.660) 10.222 9.182 ( -2.013 0.558 1.634) 2.652 9.307 ( -0.332 -3.832 0.306) 3.859 9.327 ( -2.768 3.553 -3.728) 5.847 9.579 ( 6.485 2.281 -1.011) 6.948 9.729 ( -7.392 2.158 4.427) 8.883 9.872 ( 9.780 -3.627 -5.545) 11.813 10.096 ( -11.257 -5.111 -5.480) 13.523 17.557 ( 0.944 1.577 0.163) 1.845 17.574 ( -0.103 1.611 -0.210) 1.628 17.584 ( 0.363 1.462 0.140) 1.513 17.611 ( -1.604 1.170 -0.483) 2.043 17.894 ( 0.183 -0.129 0.481) 0.530 17.898 ( -0.196 -0.294 0.608) 0.703 17.947 ( 0.789 -1.230 -0.421) 1.521 17.960 ( -0.469 -1.554 -0.543) 1.711 31.336 ( -0.105 0.144 -1.033) 1.048 31.339 ( -0.353 0.095 -1.029) 1.092 31.407 ( 0.500 -1.065 1.449) 1.867 31.411 ( 0.149 -1.079 1.337) 1.725 50.691 ( 0.938 -3.333 3.820) 5.156 50.720 ( -1.939 -4.985 4.671) 7.102 51.180 ( 7.006 -14.176 -1.813) 15.917 51.308 ( -5.334 -17.693 -3.554) 18.818 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.000 14.888 2.247) 15.057 2.229 ( 0.000 4.527 -0.018) 4.527 2.417 ( 0.000 2.901 3.031) 4.196 2.496 ( 0.000 10.420 -1.303) 10.501 2.875 ( 0.000 17.779 3.458) 18.112 2.901 ( 0.000 4.185 -1.120) 4.332 3.003 ( 0.000 -4.910 5.156) 7.120 3.166 ( 0.000 1.159 0.648) 1.328 3.315 ( 0.000 3.032 -7.771) 8.341 3.346 ( 0.000 3.259 -0.734) 3.341 3.444 ( 0.000 3.493 -2.127) 4.089 3.518 ( 0.000 0.817 -1.599) 1.795 3.750 ( 0.000 -7.973 4.456) 9.134 3.821 ( 0.000 -4.675 3.197) 5.663 3.880 ( 0.000 -5.371 0.196) 5.375 3.967 ( 0.000 -6.641 6.896) 9.573 4.521 ( 0.000 8.959 -0.692) 8.986 4.539 ( 0.000 14.035 -2.539) 14.263 4.782 ( 0.000 21.024 4.971) 21.604 4.822 ( 0.000 12.736 -0.668) 12.754 5.155 ( 0.000 9.824 -4.864) 10.962 5.258 ( 0.000 -3.070 -6.084) 6.815 5.435 ( 0.000 12.256 2.945) 12.605 5.481 ( 0.000 8.372 -0.842) 8.414 6.081 ( 0.000 -0.282 0.676) 0.733 6.085 ( 0.000 -1.330 -1.076) 1.710 6.185 ( 0.000 -0.129 1.350) 1.356 6.186 ( 0.000 1.815 -1.226) 2.190 6.314 ( 0.000 -0.617 -3.603) 3.656 6.385 ( 0.000 -1.983 6.627) 6.917 6.491 ( 0.000 -1.202 0.235) 1.225 6.758 ( 0.000 -6.084 -0.984) 6.164 6.973 ( 0.000 3.677 0.916) 3.789 7.001 ( 0.000 3.708 0.185) 3.713 7.066 ( 0.000 -0.430 2.258) 2.299 7.121 ( 0.000 -2.624 2.385) 3.546 7.134 ( 0.000 -2.752 2.461) 3.692 7.233 ( 0.000 -1.466 -0.457) 1.535 7.313 ( 0.000 2.072 -2.729) 3.427 7.340 ( 0.000 1.480 -1.623) 2.196 7.389 ( 0.000 3.972 3.680) 5.415 7.506 ( 0.000 1.798 0.793) 1.965 7.590 ( 0.000 -3.845 2.174) 4.417 7.678 ( 0.000 3.509 0.921) 3.628 7.841 ( 0.000 -1.567 -3.191) 3.555 7.847 ( 0.000 -2.824 -5.059) 5.794 8.315 ( 0.000 0.654 -0.034) 0.655 8.328 ( 0.000 -6.008 3.096) 6.759 8.772 ( 0.000 0.385 2.771) 2.797 9.045 ( 0.000 -6.780 1.352) 6.914 9.362 ( 0.000 -3.393 -6.741) 7.547 9.522 ( 0.000 -7.137 -4.767) 8.583 9.611 ( 0.000 6.161 0.814) 6.215 9.647 ( 0.000 18.093 -1.854) 18.187 9.934 ( 0.000 4.569 2.914) 5.419 10.128 ( 0.000 -13.004 -1.763) 13.123 17.557 ( 0.000 0.936 0.127) 0.945 17.569 ( 0.000 0.594 -0.146) 0.612 17.639 ( 0.000 1.424 0.175) 1.435 17.665 ( 0.000 0.253 -0.480) 0.542 17.892 ( 0.000 0.160 0.234) 0.284 17.897 ( 0.000 -0.142 0.534) 0.552 17.911 ( 0.000 -0.362 -0.218) 0.423 17.936 ( 0.000 -1.479 -0.392) 1.530 31.344 ( 0.000 0.125 0.015) 0.126 31.361 ( 0.000 -0.390 -0.353) 0.526 31.369 ( 0.000 0.288 0.355) 0.457 31.390 ( 0.000 -0.397 -0.242) 0.465 50.653 ( 0.000 -0.887 2.513) 2.665 50.705 ( 0.000 -2.537 4.739) 5.375 50.829 ( 0.000 -5.288 -1.826) 5.594 51.057 ( 0.000 -15.832 -3.379) 16.189 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.515 13.395 3.762) 13.923 2.204 ( -2.280 7.247 5.045) 9.120 2.428 ( 0.838 1.506 -1.315) 2.167 2.477 ( -1.330 6.057 0.323) 6.210 2.765 ( -6.209 5.275 3.270) 8.779 2.814 ( -7.944 14.745 4.443) 17.328 3.034 ( 5.259 8.030 -4.177) 10.468 3.247 ( -0.718 -1.455 -3.407) 3.774 3.354 ( 4.380 1.996 -7.556) 8.959 3.391 ( 2.407 -1.234 -1.027) 2.893 3.423 ( -0.631 2.288 2.193) 3.231 3.526 ( 0.259 1.392 -3.805) 4.060 3.776 ( 5.208 -4.563 6.929) 9.796 3.815 ( -0.689 -4.457 4.049) 6.061 3.883 ( 2.680 -4.484 2.100) 5.630 4.113 ( 10.461 -8.527 4.272) 14.156 4.454 ( -2.868 12.037 0.351) 12.379 4.568 ( -1.357 11.819 -2.108) 12.082 4.664 ( -5.062 10.770 2.892) 12.247 4.940 ( 5.255 18.964 -1.277) 19.720 5.039 ( -11.804 2.402 -0.479) 12.055 5.261 ( 4.121 8.447 -3.643) 10.080 5.400 ( -5.231 10.183 -1.463) 11.542 5.490 ( 0.766 7.900 -1.151) 8.020 6.095 ( 1.041 0.250 -1.731) 2.035 6.110 ( 2.685 -1.316 1.416) 3.308 6.168 ( -0.995 1.206 -3.001) 3.384 6.229 ( 3.385 0.523 2.500) 4.240 6.344 ( 2.322 -0.685 -0.870) 2.573 6.359 ( -2.526 -2.128 6.669) 7.442 6.482 ( -0.652 -2.510 -0.839) 2.726 6.706 ( -4.774 -6.012 -0.087) 7.677 6.981 ( 0.092 3.487 -1.006) 3.631 6.999 ( 0.353 3.349 -0.596) 3.420 7.083 ( 1.793 0.405 1.888) 2.635 7.100 ( -0.543 -0.247 0.777) 0.979 7.172 ( 1.389 -2.046 3.573) 4.345 7.277 ( 2.256 1.834 -1.175) 3.136 7.313 ( 0.978 -0.423 -1.126) 1.551 7.352 ( 1.261 0.631 0.961) 1.706 7.402 ( 2.878 3.153 0.385) 4.286 7.524 ( 0.953 2.962 0.396) 3.137 7.558 ( -2.230 -4.595 2.617) 5.739 7.690 ( 1.282 2.621 0.984) 3.079 7.818 ( -1.136 -0.328 -1.645) 2.026 7.909 ( 4.391 -4.457 -5.169) 8.116 8.157 ( -9.655 0.479 1.205) 9.742 8.332 ( -5.688 -3.351 -2.360) 7.010 8.801 ( 5.347 -3.265 5.513) 8.345 9.103 ( 3.857 -7.295 1.626) 8.411 9.306 ( -5.387 -1.775 -3.237) 6.531 9.453 ( -4.860 -3.553 -4.233) 7.359 9.626 ( 1.644 7.936 0.153) 8.105 9.723 ( 5.418 8.989 -1.985) 10.682 9.916 ( -1.540 5.873 1.029) 6.158 10.098 ( -2.844 -10.057 -2.534) 10.754 17.564 ( 0.746 1.012 0.125) 1.263 17.577 ( 0.794 0.649 -0.164) 1.038 17.631 ( -0.737 1.406 0.177) 1.597 17.655 ( -0.982 0.416 -0.401) 1.140 17.892 ( 0.009 0.133 0.263) 0.295 17.896 ( -0.064 -0.087 0.472) 0.484 17.916 ( 0.416 -0.593 -0.225) 0.758 17.935 ( -0.090 -1.429 -0.381) 1.482 31.344 ( -0.013 0.318 -0.225) 0.390 31.353 ( -0.410 0.322 -0.573) 0.775 31.379 ( 0.649 -0.417 0.634) 0.998 31.391 ( 0.159 -0.526 0.102) 0.559 50.650 ( -0.251 -0.911 2.460) 2.636 50.682 ( -1.572 -1.805 3.600) 4.323 50.867 ( 3.043 -7.202 -1.151) 7.903 51.042 ( -1.526 -15.228 -3.044) 15.604 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 2.162 10.897 7.424) 13.361 2.143 ( -3.416 9.045 9.226) 13.364 2.441 ( 0.607 2.512 -1.824) 3.164 2.458 ( -0.703 -0.234 -1.778) 1.926 2.677 ( -1.817 8.289 4.148) 9.445 2.695 ( -3.521 15.891 3.467) 16.642 3.126 ( 3.608 7.532 -7.278) 11.078 3.194 ( -3.241 2.183 -5.983) 7.146 3.395 ( 0.778 1.372 -4.454) 4.725 3.409 ( -0.212 5.024 -3.713) 6.251 3.458 ( 2.954 -3.283 -0.485) 4.443 3.511 ( -1.790 -0.360 -3.341) 3.807 3.795 ( 1.191 -2.221 8.469) 8.836 3.832 ( -1.377 -1.344 6.971) 7.232 4.117 ( 15.847 -7.976 1.605) 17.814 4.281 ( 2.631 -10.952 1.472) 11.359 4.435 ( 1.896 10.172 2.534) 10.653 4.497 ( -3.154 10.982 1.345) 11.505 4.599 ( -2.069 6.754 0.093) 7.064 4.713 ( -14.805 4.957 0.797) 15.633 5.094 ( 7.547 18.901 0.353) 20.355 5.256 ( -8.006 14.202 -1.001) 16.334 5.374 ( 5.682 8.077 -4.184) 10.725 5.468 ( -3.050 7.156 -3.449) 8.509 6.122 ( 1.368 1.630 -2.523) 3.301 6.147 ( -1.115 1.717 -3.301) 3.884 6.184 ( 4.348 -1.947 2.704) 5.478 6.273 ( -3.209 -1.489 3.718) 5.132 6.321 ( 2.677 -0.745 4.927) 5.656 6.372 ( -0.771 0.139 3.790) 3.870 6.493 ( 2.755 -5.387 -2.718) 6.633 6.589 ( -5.931 -5.609 -0.766) 8.199 6.986 ( 0.697 3.018 -1.160) 3.308 7.002 ( -0.474 2.155 -1.295) 2.558 7.087 ( 0.424 1.893 -0.731) 2.073 7.110 ( -0.945 1.081 -0.006) 1.436 7.220 ( 3.671 1.353 2.542) 4.666 7.284 ( -1.847 1.967 -0.044) 2.698 7.329 ( 2.434 1.392 1.175) 3.040 7.390 ( 0.327 0.810 2.058) 2.235 7.480 ( -1.518 1.027 -0.281) 1.854 7.488 ( 0.850 2.835 -0.568) 3.014 7.630 ( 9.311 -4.288 1.726) 10.395 7.723 ( 1.195 0.174 0.788) 1.442 7.793 ( -0.591 1.812 -0.521) 1.976 7.926 ( -11.995 2.071 -0.391) 12.179 8.018 ( 5.892 -5.780 -4.012) 9.177 8.167 ( -8.502 -5.356 -3.739) 10.721 8.968 ( 9.480 -4.172 4.710) 11.378 9.147 ( -6.209 -2.735 0.625) 6.814 9.203 ( 3.071 -6.642 2.249) 7.655 9.328 ( -7.059 -4.062 -1.308) 8.249 9.699 ( 4.848 7.557 -0.495) 8.992 9.781 ( -1.667 5.672 0.083) 5.912 9.918 ( 3.525 4.761 -3.906) 7.096 10.017 ( -4.917 -3.219 -3.908) 7.058 17.585 ( 1.180 1.193 0.110) 1.682 17.598 ( 1.102 0.825 -0.256) 1.400 17.612 ( -0.965 1.230 0.216) 1.578 17.629 ( -1.414 0.646 -0.250) 1.575 17.893 ( 0.057 0.068 0.329) 0.340 17.894 ( -0.078 -0.009 0.400) 0.407 17.925 ( 0.408 -0.982 -0.290) 1.102 17.932 ( -0.233 -1.271 -0.349) 1.338 31.344 ( 0.058 0.628 -0.614) 0.880 31.347 ( -0.210 0.654 -0.748) 1.015 31.390 ( 0.375 -0.735 0.883) 1.208 31.394 ( 0.016 -0.734 0.677) 0.999 50.647 ( 0.052 -0.986 2.432) 2.625 50.656 ( -0.900 -1.197 2.712) 3.098 50.935 ( 3.364 -10.514 -1.352) 11.122 50.998 ( -2.711 -13.410 -2.215) 13.859 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 0.000 5.754 -3.255) 6.611 2.296 ( 0.000 1.908 -0.833) 2.082 2.504 ( 0.000 6.701 8.942) 11.174 2.614 ( 0.000 -0.419 3.008) 3.037 2.865 ( 0.000 -2.417 4.155) 4.807 2.898 ( 0.000 -3.105 2.257) 3.839 3.223 ( 0.000 3.592 -4.831) 6.020 3.229 ( 0.000 9.610 -1.226) 9.688 3.328 ( 0.000 3.717 -5.126) 6.332 3.437 ( 0.000 5.455 3.559) 6.514 3.493 ( 0.000 -4.168 -1.509) 4.433 3.560 ( 0.000 6.620 -0.622) 6.649 3.588 ( 0.000 -8.030 4.833) 9.372 3.707 ( 0.000 -8.169 -0.234) 8.173 3.779 ( 0.000 -1.261 0.865) 1.529 3.829 ( 0.000 -5.689 2.533) 6.227 4.659 ( 0.000 4.136 1.729) 4.483 4.677 ( 0.000 2.377 1.372) 2.745 5.041 ( 0.000 9.020 -2.099) 9.261 5.161 ( 0.000 13.207 -0.205) 13.209 5.180 ( 0.000 -4.409 -6.036) 7.474 5.286 ( 0.000 1.492 -6.505) 6.674 5.579 ( 0.000 3.017 4.819) 5.685 5.587 ( 0.000 2.226 2.500) 3.347 6.067 ( 0.000 -0.286 -2.119) 2.139 6.072 ( 0.000 -0.549 -1.377) 1.482 6.230 ( 0.000 4.137 2.797) 4.994 6.238 ( 0.000 3.109 -2.885) 4.241 6.291 ( 0.000 -1.922 -3.720) 4.187 6.322 ( 0.000 -4.390 4.034) 5.962 6.510 ( 0.000 3.176 3.986) 5.097 6.616 ( 0.000 -7.139 2.665) 7.620 7.031 ( 0.000 1.900 0.371) 1.935 7.044 ( 0.000 0.131 0.605) 0.619 7.086 ( 0.000 -0.888 2.253) 2.422 7.087 ( 0.000 -1.480 2.588) 2.981 7.100 ( 0.000 3.944 0.077) 3.945 7.180 ( 0.000 -3.586 -0.548) 3.628 7.345 ( 0.000 1.112 -3.044) 3.241 7.355 ( 0.000 0.077 -2.878) 2.879 7.458 ( 0.000 2.960 3.050) 4.251 7.509 ( 0.000 -2.074 1.729) 2.700 7.587 ( 0.000 3.456 -0.617) 3.511 7.668 ( 0.000 -3.854 -2.589) 4.643 7.830 ( 0.000 0.572 0.590) 0.822 7.837 ( 0.000 0.709 -0.328) 0.781 8.227 ( 0.000 -1.743 3.473) 3.886 8.269 ( 0.000 -4.102 0.464) 4.128 8.839 ( 0.000 4.965 0.794) 5.028 8.938 ( 0.000 -4.797 0.790) 4.862 9.338 ( 0.000 1.186 -6.854) 6.956 9.401 ( 0.000 -4.858 -5.463) 7.310 9.711 ( 0.000 6.072 4.660) 7.654 9.880 ( 0.000 -9.822 1.543) 9.942 9.931 ( 0.000 8.250 -2.283) 8.561 10.011 ( 0.000 0.929 -2.126) 2.320 17.571 ( 0.000 0.483 0.043) 0.485 17.575 ( 0.000 0.059 -0.054) 0.080 17.660 ( 0.000 0.683 0.028) 0.683 17.667 ( 0.000 -0.095 -0.152) 0.179 17.897 ( 0.000 0.424 0.169) 0.457 17.898 ( 0.000 0.239 0.106) 0.261 17.904 ( 0.000 -0.335 -0.081) 0.345 17.911 ( 0.000 -0.982 -0.110) 0.988 31.349 ( 0.000 0.298 0.017) 0.299 31.354 ( 0.000 -0.290 -0.115) 0.312 31.376 ( 0.000 0.370 0.072) 0.377 31.383 ( 0.000 -0.336 -0.115) 0.356 50.671 ( 0.000 3.371 1.401) 3.650 50.697 ( 0.000 1.250 1.196) 1.730 50.742 ( 0.000 -3.439 -0.600) 3.491 50.802 ( 0.000 -9.750 -0.936) 9.795 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.761 6.084 -0.143) 6.133 2.309 ( 0.582 1.553 -0.307) 1.687 2.450 ( -4.546 3.966 7.608) 9.710 2.540 ( -5.593 -1.956 3.029) 6.654 2.842 ( 0.886 6.815 3.368) 7.653 3.009 ( 5.923 -8.121 2.038) 10.256 3.124 ( -6.035 11.035 -1.130) 12.628 3.239 ( -1.943 -0.460 -5.874) 6.204 3.363 ( 3.254 3.782 -2.803) 5.723 3.442 ( -1.428 1.732 -0.913) 2.423 3.484 ( 2.330 1.448 0.073) 2.744 3.559 ( -1.258 0.177 -4.598) 4.770 3.659 ( 6.665 -2.024 6.906) 9.809 3.737 ( 3.693 -4.801 -0.389) 6.070 3.820 ( 2.857 -0.013 2.994) 4.138 3.919 ( 7.336 -9.199 3.197) 12.192 4.628 ( -2.065 5.512 1.405) 6.052 4.673 ( -0.949 0.982 0.434) 1.433 4.880 ( -10.239 9.110 0.385) 13.711 5.009 ( -12.159 -3.885 -1.802) 12.891 5.278 ( 6.426 11.928 -2.757) 13.827 5.379 ( 5.193 1.760 -5.584) 7.825 5.545 ( -2.883 4.279 1.737) 5.444 5.579 ( -0.963 0.912 2.353) 2.701 6.091 ( 2.365 0.096 -1.294) 2.698 6.099 ( 2.329 -0.550 -1.917) 3.066 6.211 ( -0.983 3.514 -1.905) 4.116 6.273 ( 2.465 2.852 1.738) 4.150 6.294 ( -1.409 -4.194 -0.575) 4.462 6.321 ( 1.574 -1.835 1.140) 2.673 6.482 ( -2.598 2.682 3.603) 5.189 6.577 ( -3.629 -6.332 2.459) 7.702 7.035 ( 0.371 2.010 -0.028) 2.044 7.055 ( 0.770 0.831 -0.343) 1.183 7.100 ( 1.029 0.685 1.251) 1.759 7.106 ( 0.528 1.028 0.281) 1.189 7.142 ( 4.544 0.887 3.062) 5.550 7.224 ( 4.314 -5.021 -0.222) 6.623 7.346 ( 0.120 1.790 -1.057) 2.083 7.360 ( 0.586 0.057 0.251) 0.640 7.444 ( 0.306 1.987 1.528) 2.525 7.491 ( -1.626 -2.465 2.064) 3.603 7.603 ( 1.138 4.203 -2.357) 4.951 7.684 ( 1.289 -3.337 -2.501) 4.365 7.828 ( -0.042 1.350 0.539) 1.454 7.855 ( 1.545 -1.095 -1.270) 2.281 8.161 ( -6.020 1.381 0.296) 6.183 8.236 ( -5.568 -5.408 -1.438) 7.894 8.824 ( 1.729 4.784 3.729) 6.307 8.954 ( 1.729 -7.513 2.349) 8.059 9.296 ( -4.826 1.265 -3.926) 6.349 9.357 ( -4.504 -4.620 -3.661) 7.419 9.745 ( 3.449 6.609 2.389) 7.829 9.900 ( 1.832 -7.787 -0.226) 8.003 9.936 ( 0.151 6.968 -2.422) 7.379 10.004 ( -0.815 0.926 -2.396) 2.695 17.580 ( 0.846 0.514 0.043) 0.991 17.584 ( 0.859 0.077 -0.058) 0.865 17.652 ( -0.762 0.674 0.034) 1.018 17.659 ( -0.811 -0.036 -0.131) 0.823 17.897 ( 0.003 0.432 0.154) 0.458 17.898 ( -0.010 0.279 0.114) 0.301 17.906 ( 0.127 -0.458 -0.085) 0.482 17.911 ( -0.016 -0.960 -0.112) 0.966 31.352 ( 0.295 0.436 -0.010) 0.527 31.357 ( 0.248 -0.013 -0.195) 0.316 31.376 ( 0.006 0.096 0.184) 0.208 31.382 ( -0.064 -0.442 -0.044) 0.449 50.668 ( -0.210 3.367 1.283) 3.609 50.687 ( -0.778 1.871 0.975) 2.248 50.750 ( 0.625 -4.567 -0.419) 4.629 50.796 ( -0.588 -9.421 -0.840) 9.477 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 1.191 6.735 3.847) 7.847 2.300 ( -2.081 6.556 5.240) 8.647 2.382 ( -0.223 -3.907 2.003) 4.397 2.433 ( -4.372 -4.092 2.273) 6.405 2.894 ( 3.960 11.967 2.466) 12.844 2.996 ( -5.810 12.892 0.595) 14.153 3.105 ( 3.499 -8.333 0.587) 9.057 3.176 ( -3.585 -4.613 -2.596) 6.393 3.436 ( 3.459 2.976 -4.482) 6.396 3.453 ( 2.042 1.629 -3.226) 4.151 3.499 ( -1.130 1.434 -4.766) 5.104 3.517 ( -2.695 0.786 -6.356) 6.948 3.778 ( 5.557 2.686 6.789) 9.176 3.848 ( -0.050 4.354 5.616) 7.106 3.919 ( 9.850 -9.885 2.944) 14.262 4.028 ( 1.042 -12.427 2.482) 12.715 4.604 ( 0.651 5.905 1.340) 6.090 4.652 ( -0.368 2.121 -0.045) 2.153 4.695 ( -6.537 4.906 2.031) 8.422 4.761 ( -10.143 -0.631 0.797) 10.194 5.389 ( 4.580 10.049 -1.921) 11.209 5.466 ( -0.114 4.743 -1.143) 4.880 5.483 ( 0.406 3.659 -2.588) 4.500 5.544 ( -2.525 0.088 -0.898) 2.681 6.146 ( 2.415 0.904 -2.401) 3.523 6.160 ( 3.469 -0.400 -0.137) 3.495 6.188 ( -1.177 2.169 -2.533) 3.536 6.240 ( -3.441 -2.488 0.882) 4.337 6.334 ( 3.336 2.017 2.738) 4.764 6.375 ( 2.493 -0.822 1.652) 3.102 6.420 ( -2.235 -0.309 1.418) 2.665 6.483 ( -5.042 -4.884 1.178) 7.118 7.050 ( 0.962 3.305 -0.263) 3.453 7.063 ( -0.109 3.272 -0.810) 3.372 7.109 ( 0.077 -0.463 -0.283) 0.548 7.113 ( 0.037 -0.886 -0.116) 0.894 7.243 ( 4.332 1.805 2.797) 5.463 7.297 ( 1.754 -2.326 2.873) 4.091 7.323 ( -1.755 0.462 2.926) 3.443 7.363 ( -1.678 -2.811 4.327) 5.426 7.498 ( 4.987 3.062 -1.275) 5.989 7.561 ( 8.447 -1.514 -2.318) 8.889 7.600 ( -1.802 4.291 -2.062) 5.090 7.692 ( -1.764 -3.478 -1.663) 4.239 7.840 ( 2.195 2.902 -0.582) 3.685 7.909 ( 4.285 -4.195 -2.876) 6.651 7.980 ( -10.455 2.806 -1.722) 10.961 8.056 ( -9.596 -5.015 -3.093) 11.260 8.947 ( 9.089 2.168 4.224) 10.254 9.044 ( 7.139 -6.867 2.787) 10.290 9.145 ( -9.206 1.362 1.025) 9.362 9.218 ( -8.594 -5.498 0.178) 10.204 9.838 ( 4.910 6.355 -0.920) 8.083 9.917 ( -2.385 5.918 -2.283) 6.776 9.943 ( 2.009 -4.034 -2.406) 5.109 9.978 ( -1.530 -0.081 -2.891) 3.272 17.603 ( 1.324 0.592 0.040) 1.451 17.608 ( 1.350 0.111 -0.074) 1.356 17.630 ( -1.268 0.627 0.049) 1.415 17.636 ( -1.323 0.051 -0.088) 1.327 17.897 ( 0.021 0.419 0.138) 0.442 17.898 ( -0.022 0.360 0.127) 0.382 17.908 ( 0.122 -0.693 -0.101) 0.711 17.910 ( -0.059 -0.873 -0.113) 0.882 31.359 ( 0.301 0.771 -0.138) 0.839 31.361 ( 0.060 0.733 -0.316) 0.801 31.376 ( 0.104 -0.651 0.353) 0.748 31.380 ( -0.164 -0.718 0.160) 0.754 50.666 ( 0.045 3.226 1.042) 3.390 50.672 ( -0.579 2.736 0.891) 2.935 50.764 ( 0.764 -6.628 -0.417) 6.685 50.781 ( -0.819 -8.380 -0.616) 8.442 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.000 0.000 11.465) 11.465 0.694 ( 0.000 0.000 -9.514) 9.514 1.190 ( 0.000 0.000 27.404) 27.404 1.659 ( 0.000 0.000 -12.570) 12.570 1.932 ( 0.000 0.000 13.512) 13.512 2.097 ( 0.000 0.000 28.702) 28.702 2.220 ( 0.000 0.000 -12.939) 12.939 2.480 ( 0.000 0.000 7.019) 7.019 2.584 ( 0.000 0.000 -3.599) 3.599 2.616 ( 0.000 0.000 -6.418) 6.418 2.660 ( 0.000 0.000 3.206) 3.206 2.726 ( 0.000 0.000 -3.298) 3.298 3.022 ( 0.000 0.000 0.231) 0.231 3.024 ( 0.000 0.000 0.165) 0.165 3.181 ( 0.000 0.000 -17.318) 17.318 3.182 ( 0.000 0.000 -9.804) 9.804 3.789 ( 0.000 0.000 4.964) 4.964 3.889 ( 0.000 0.000 -6.729) 6.729 4.342 ( 0.000 0.000 2.797) 2.797 4.413 ( 0.000 0.000 -4.154) 4.154 4.977 ( 0.000 0.000 8.813) 8.813 5.054 ( 0.000 0.000 4.458) 4.458 5.217 ( 0.000 0.000 8.627) 8.627 5.445 ( 0.000 0.000 -11.865) 11.865 6.016 ( 0.000 0.000 2.072) 2.072 6.063 ( 0.000 0.000 -2.692) 2.692 6.180 ( 0.000 0.000 2.941) 2.941 6.231 ( 0.000 0.000 1.013) 1.013 6.271 ( 0.000 0.000 -2.171) 2.171 6.282 ( 0.000 0.000 2.099) 2.099 6.285 ( 0.000 0.000 -7.779) 7.779 6.316 ( 0.000 0.000 -1.341) 1.341 6.814 ( 0.000 0.000 -0.748) 0.748 6.815 ( 0.000 0.000 -0.877) 0.877 6.828 ( 0.000 0.000 1.265) 1.265 6.860 ( 0.000 0.000 -1.941) 1.941 7.201 ( 0.000 0.000 4.297) 4.297 7.244 ( 0.000 0.000 0.019) 0.019 7.269 ( 0.000 0.000 -0.095) 0.095 7.276 ( 0.000 0.000 5.936) 5.936 7.311 ( 0.000 0.000 -4.299) 4.299 7.336 ( 0.000 0.000 0.686) 0.686 7.530 ( 0.000 0.000 8.389) 8.389 7.576 ( 0.000 0.000 5.703) 5.703 7.765 ( 0.000 0.000 1.946) 1.946 7.798 ( 0.000 0.000 -1.358) 1.358 7.892 ( 0.000 0.000 0.335) 0.335 7.991 ( 0.000 0.000 -8.700) 8.700 8.634 ( 0.000 0.000 3.795) 3.795 8.717 ( 0.000 0.000 -5.532) 5.532 9.716 ( 0.000 0.000 4.367) 4.367 9.769 ( 0.000 0.000 3.944) 3.944 9.912 ( 0.000 0.000 -2.070) 2.070 10.075 ( 0.000 0.000 -13.316) 13.316 10.493 ( 0.000 0.000 7.511) 7.511 10.633 ( 0.000 0.000 -6.419) 6.419 17.460 ( 0.000 0.000 0.129) 0.129 17.463 ( 0.000 0.000 -0.124) 0.124 17.469 ( 0.000 0.000 0.281) 0.281 17.475 ( 0.000 0.000 -0.286) 0.286 17.905 ( 0.000 0.000 0.837) 0.837 17.921 ( 0.000 0.000 -0.763) 0.763 18.005 ( 0.000 0.000 1.984) 1.984 18.045 ( 0.000 0.000 -1.958) 1.958 31.414 ( 0.000 0.000 0.716) 0.716 31.430 ( 0.000 0.000 -0.900) 0.900 31.507 ( 0.000 0.000 2.176) 2.176 31.527 ( 0.000 0.000 0.133) 0.133 51.009 ( 0.000 0.000 10.814) 10.814 51.213 ( 0.000 0.000 -9.223) 9.223 52.631 ( 0.000 0.000 2.029) 2.029 52.689 ( 0.000 0.000 -3.743) 3.743 ======================= Grid point 131 (44/63) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 19.420 0.000 7.503) 20.819 0.878 ( 15.252 0.000 -6.662) 16.643 1.110 ( -2.228 0.000 25.192) 25.290 1.529 ( -5.860 0.000 -12.225) 13.557 1.948 ( -9.675 0.000 -2.759) 10.061 2.015 ( -9.156 0.000 -5.816) 10.847 2.303 ( -13.684 0.000 3.035) 14.017 2.353 ( -15.557 0.000 -1.539) 15.633 2.423 ( 24.285 0.000 26.237) 35.751 2.761 ( 13.746 0.000 -3.421) 14.165 2.764 ( 3.518 0.000 1.602) 3.865 2.816 ( 3.141 0.000 -3.229) 4.505 3.045 ( 3.744 0.000 2.412) 4.454 3.086 ( 3.704 0.000 -1.755) 4.099 3.125 ( 1.957 0.000 -2.876) 3.479 3.276 ( 1.800 0.000 -12.599) 12.727 3.779 ( -0.608 0.000 0.774) 0.984 3.861 ( -1.128 0.000 -7.678) 7.760 4.402 ( -6.224 0.000 6.685) 9.134 4.503 ( 8.387 0.000 -1.937) 8.608 4.641 ( -13.395 0.000 13.245) 18.838 4.905 ( -10.461 0.000 -10.202) 14.612 5.345 ( 5.315 0.000 8.684) 10.181 5.492 ( 0.287 0.000 -5.755) 5.762 6.030 ( 1.311 0.000 1.856) 2.272 6.072 ( 0.730 0.000 -2.356) 2.467 6.182 ( 1.780 0.000 1.376) 2.250 6.260 ( 0.487 0.000 -5.993) 6.012 6.270 ( -1.048 0.000 1.911) 2.179 6.302 ( -1.344 0.000 -1.298) 1.868 6.355 ( 7.400 0.000 1.903) 7.641 6.412 ( 10.441 0.000 -4.331) 11.303 6.760 ( -3.005 0.000 2.448) 3.876 6.811 ( -1.776 0.000 -2.966) 3.457 6.827 ( -0.099 0.000 1.129) 1.133 6.854 ( -0.572 0.000 -1.635) 1.732 7.200 ( 0.043 0.000 3.327) 3.327 7.237 ( -0.683 0.000 -0.279) 0.738 7.266 ( -4.965 0.000 9.899) 11.074 7.288 ( 1.523 0.000 0.091) 1.526 7.308 ( -1.148 0.000 3.931) 4.095 7.321 ( 0.732 0.000 -3.258) 3.339 7.530 ( 2.640 0.000 3.283) 4.213 7.615 ( 2.802 0.000 2.019) 3.454 7.763 ( -0.115 0.000 1.611) 1.615 7.790 ( -0.669 0.000 -1.122) 1.306 7.847 ( -3.692 0.000 -3.736) 5.253 7.889 ( -7.674 0.000 -7.663) 10.845 8.771 ( 12.430 0.000 3.328) 12.868 8.854 ( 11.813 0.000 -4.476) 12.633 9.678 ( -7.266 0.000 6.078) 9.473 9.706 ( -4.151 0.000 3.672) 5.542 9.901 ( -0.927 0.000 -3.032) 3.171 10.023 ( -5.692 0.000 -12.395) 13.639 10.410 ( -5.682 0.000 5.067) 7.614 10.504 ( -9.196 0.000 -3.944) 10.006 17.461 ( 0.046 0.000 0.127) 0.136 17.463 ( 0.007 0.000 -0.073) 0.074 17.470 ( 0.068 0.000 0.201) 0.212 17.474 ( -0.029 0.000 -0.255) 0.256 17.911 ( 0.524 0.000 0.953) 1.088 17.928 ( 0.369 0.000 -0.646) 0.744 18.013 ( 0.735 0.000 1.139) 1.356 18.044 ( -0.128 0.000 -1.695) 1.700 31.379 ( -2.037 0.000 -0.404) 2.076 31.383 ( -2.179 0.000 -0.743) 2.302 31.582 ( 4.895 0.000 2.947) 5.713 31.604 ( 4.674 0.000 0.967) 4.773 51.057 ( 4.370 0.000 10.794) 11.645 51.243 ( 2.029 0.000 -6.989) 7.278 52.505 ( -9.233 0.000 4.447) 10.248 52.606 ( -7.313 0.000 -5.709) 9.278 ======================= Grid point 132 (45/63) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 14.916 0.000 3.876) 15.411 1.177 ( 10.014 0.000 -1.810) 10.176 1.228 ( 13.087 0.000 12.844) 18.337 1.493 ( -2.984 0.000 -6.323) 6.992 1.651 ( -8.899 0.000 -6.066) 10.770 1.798 ( -12.989 0.000 -15.961) 20.578 2.028 ( -9.903 0.000 0.595) 9.921 2.054 ( -11.567 0.000 -1.642) 11.683 2.813 ( 1.584 0.000 1.223) 2.001 2.834 ( -0.450 0.000 -0.679) 0.814 2.909 ( 19.150 0.000 14.371) 23.942 3.075 ( 13.222 0.000 -1.288) 13.285 3.125 ( 2.877 0.000 0.624) 2.943 3.142 ( 1.200 0.000 -1.036) 1.586 3.211 ( -3.922 0.000 3.715) 5.402 3.237 ( 3.421 0.000 -1.873) 3.900 3.725 ( -0.786 0.000 7.747) 7.787 3.929 ( -7.634 0.000 6.317) 9.908 4.059 ( -1.930 0.000 -0.065) 1.931 4.335 ( -16.321 0.000 -11.298) 19.850 4.768 ( 9.775 0.000 6.591) 11.789 4.858 ( 0.892 0.000 -0.973) 1.320 5.388 ( 0.974 0.000 0.428) 1.064 5.443 ( -3.915 0.000 -4.152) 5.706 6.063 ( 1.607 0.000 0.986) 1.885 6.082 ( -0.096 0.000 -0.939) 0.943 6.232 ( 2.530 0.000 -1.383) 2.884 6.253 ( -0.187 0.000 0.805) 0.827 6.266 ( -0.529 0.000 -4.741) 4.770 6.269 ( -1.547 0.000 -0.774) 1.730 6.518 ( 8.024 0.000 5.170) 9.546 6.593 ( 4.379 0.000 -1.343) 4.580 6.708 ( -1.497 0.000 1.562) 2.163 6.752 ( -3.795 0.000 -2.199) 4.387 6.828 ( 0.330 0.000 0.461) 0.567 6.840 ( -0.728 0.000 -0.672) 0.991 7.169 ( -0.871 0.000 8.151) 8.198 7.206 ( 0.594 0.000 1.679) 1.781 7.221 ( -0.793 0.000 0.257) 0.834 7.241 ( -5.561 0.000 2.156) 5.965 7.318 ( 1.194 0.000 -0.437) 1.272 7.330 ( 0.009 0.000 -1.685) 1.685 7.604 ( 4.247 0.000 1.362) 4.460 7.686 ( 0.780 0.000 5.160) 5.219 7.735 ( -2.603 0.000 -10.697) 11.009 7.764 ( 0.258 0.000 0.692) 0.739 7.775 ( -0.759 0.000 -0.392) 0.854 7.791 ( -3.411 0.000 -4.907) 5.976 9.079 ( 16.440 0.000 3.471) 16.802 9.158 ( 17.420 0.000 -2.660) 17.622 9.421 ( -15.670 0.000 6.061) 16.801 9.526 ( -15.325 0.000 -1.872) 15.439 9.883 ( -0.526 0.000 -3.356) 3.397 9.902 ( -3.356 0.000 -5.599) 6.528 10.345 ( -0.655 0.000 -0.296) 0.719 10.371 ( -3.447 0.000 -2.579) 4.305 17.462 ( 0.057 0.000 0.106) 0.120 17.463 ( -0.027 0.000 0.035) 0.044 17.471 ( 0.103 0.000 0.014) 0.104 17.473 ( -0.076 0.000 -0.155) 0.172 17.922 ( 0.508 0.000 0.753) 0.908 17.929 ( -0.182 0.000 0.124) 0.220 18.029 ( 0.687 0.000 -0.157) 0.705 18.039 ( -0.340 0.000 -1.035) 1.089 31.352 ( -0.482 0.000 -0.555) 0.735 31.356 ( -0.770 0.000 -0.907) 1.189 31.660 ( 2.319 0.000 3.392) 4.109 31.670 ( 1.438 0.000 2.587) 2.960 51.166 ( 5.615 0.000 8.664) 10.324 51.251 ( -1.977 0.000 1.165) 2.295 52.379 ( -1.455 0.000 -0.235) 1.474 52.446 ( -6.938 0.000 -6.252) 9.340 ======================= Grid point 135 (46/63) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.000 35.597 8.110) 36.510 1.160 ( 0.000 34.041 -4.328) 34.315 1.268 ( 0.000 9.054 23.361) 25.054 1.685 ( 0.000 4.359 -12.558) 13.293 1.950 ( 0.000 1.401 8.760) 8.871 2.078 ( 0.000 -0.470 9.683) 9.695 2.264 ( 0.000 7.025 2.240) 7.374 2.421 ( 0.000 1.691 4.425) 4.737 2.768 ( 0.000 12.039 -2.840) 12.369 2.772 ( 0.000 11.191 4.424) 12.034 2.779 ( 0.000 11.342 4.218) 12.101 2.864 ( 0.000 12.020 -4.827) 12.953 3.107 ( 0.000 5.647 -8.781) 10.440 3.124 ( 0.000 4.306 -5.756) 7.188 3.226 ( 0.000 10.184 -2.425) 10.469 3.298 ( 0.000 14.335 -12.661) 19.125 3.799 ( 0.000 1.247 5.212) 5.359 3.896 ( 0.000 0.795 -6.096) 6.147 4.343 ( 0.000 0.522 2.527) 2.581 4.395 ( 0.000 -1.163 -2.752) 2.988 4.929 ( 0.000 -4.067 7.630) 8.646 5.000 ( 0.000 -4.543 3.429) 5.692 5.171 ( 0.000 -4.353 9.157) 10.139 5.392 ( 0.000 -4.137 -11.291) 12.025 6.120 ( 0.000 -0.532 1.969) 2.040 6.154 ( 0.000 6.925 -0.246) 6.930 6.215 ( 0.000 1.473 -0.024) 1.473 6.215 ( 0.000 2.334 -0.337) 2.358 6.256 ( 0.000 1.259 -2.684) 2.965 6.284 ( 0.000 10.689 -3.857) 11.364 6.468 ( 0.000 13.315 0.161) 13.316 6.479 ( 0.000 12.248 -1.202) 12.307 6.701 ( 0.000 -5.156 -0.212) 5.161 6.705 ( 0.000 -4.973 -0.884) 5.051 6.936 ( 0.000 4.641 2.667) 5.352 6.964 ( 0.000 3.282 0.313) 3.297 7.065 ( 0.000 -6.328 3.010) 7.007 7.148 ( 0.000 -9.138 -4.489) 10.181 7.293 ( 0.000 4.358 0.542) 4.392 7.297 ( 0.000 2.958 0.570) 3.012 7.386 ( 0.000 5.012 2.402) 5.558 7.387 ( 0.000 0.502 3.222) 3.261 7.578 ( 0.000 2.061 9.081) 9.312 7.622 ( 0.000 3.595 5.820) 6.841 7.691 ( 0.000 -3.596 0.576) 3.641 7.783 ( 0.000 -0.576 -6.218) 6.245 8.001 ( 0.000 7.547 -1.067) 7.622 8.017 ( 0.000 2.349 -3.677) 4.363 8.665 ( 0.000 2.674 0.977) 2.846 8.718 ( 0.000 0.417 -5.046) 5.063 9.666 ( 0.000 -4.991 4.985) 7.054 9.733 ( 0.000 -3.555 3.596) 5.057 9.862 ( 0.000 -5.018 -2.258) 5.503 10.022 ( 0.000 -5.163 -12.812) 13.814 10.452 ( 0.000 -3.864 8.288) 9.145 10.614 ( 0.000 -2.020 -8.107) 8.355 17.472 ( 0.000 0.820 0.396) 0.911 17.480 ( 0.000 0.752 -0.416) 0.859 17.482 ( 0.000 1.541 0.417) 1.596 17.497 ( 0.000 2.757 -1.341) 3.066 17.904 ( 0.000 -0.077 0.830) 0.834 17.920 ( 0.000 -0.090 -0.758) 0.763 17.996 ( 0.000 -0.831 2.053) 2.215 18.036 ( 0.000 -0.863 -1.917) 2.103 31.406 ( 0.000 -0.787 0.642) 1.016 31.421 ( 0.000 -0.910 -0.857) 1.250 31.483 ( 0.000 -2.159 1.803) 2.813 31.498 ( 0.000 -2.504 0.315) 2.524 50.984 ( 0.000 -2.415 10.352) 10.630 51.181 ( 0.000 -3.200 -8.914) 9.471 52.342 ( 0.000 -24.711 12.458) 27.674 52.521 ( 0.000 -15.835 -7.004) 17.315 ======================= Grid point 136 (47/63) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 2.730 21.623 16.102) 27.097 1.221 ( 5.713 20.135 14.897) 25.690 1.301 ( 11.666 29.485 -3.613) 31.914 1.585 ( -5.022 6.978 -12.975) 15.565 1.902 ( -12.237 -1.528 -2.989) 12.689 1.969 ( -7.644 -2.290 -7.378) 10.868 2.397 ( -4.649 7.986 5.945) 10.988 2.412 ( -1.857 6.936 4.487) 8.467 2.567 ( 6.582 12.274 15.383) 20.751 2.807 ( 7.200 6.949 -1.480) 10.115 2.941 ( 5.006 14.533 0.806) 15.392 2.988 ( 6.720 13.129 -0.955) 14.780 3.110 ( 2.264 1.662 -3.859) 4.773 3.157 ( 3.371 7.400 -1.147) 8.212 3.244 ( 1.933 13.312 -0.951) 13.485 3.329 ( 0.633 8.749 -10.921) 14.007 3.788 ( -1.019 1.086 1.020) 1.805 3.863 ( -1.101 0.282 -6.868) 6.962 4.387 ( -5.237 -0.647 5.035) 7.294 4.468 ( 6.578 -2.717 -2.163) 7.438 4.626 ( -12.716 -1.092 14.349) 19.204 4.883 ( -9.554 -2.108 -9.323) 13.515 5.287 ( 5.486 -5.113 7.746) 10.781 5.429 ( 0.513 -5.305 -6.283) 8.239 6.116 ( -0.343 1.526 2.222) 2.718 6.171 ( -1.910 2.604 -2.578) 4.132 6.203 ( 3.927 7.660 1.393) 8.721 6.254 ( 3.559 3.546 -3.360) 6.044 6.323 ( 3.978 2.522 0.729) 4.767 6.365 ( 4.555 5.848 -2.818) 7.930 6.461 ( 0.406 11.446 1.361) 11.533 6.498 ( 2.579 9.199 -2.599) 9.900 6.692 ( -0.428 -3.723 0.565) 3.790 6.718 ( 0.952 -4.522 -1.765) 4.946 6.880 ( -4.098 2.453 5.079) 6.972 6.944 ( -2.838 4.425 -2.008) 5.627 7.107 ( 3.664 -6.777 4.245) 8.796 7.186 ( 2.060 -6.717 -3.204) 7.722 7.275 ( -1.660 2.050 1.638) 3.105 7.288 ( -0.357 3.602 0.618) 3.672 7.323 ( -4.913 1.232 6.183) 7.993 7.389 ( -0.502 4.224 0.053) 4.254 7.543 ( -0.308 -1.033 3.961) 4.105 7.682 ( -0.475 -0.833 -4.096) 4.206 7.697 ( 3.120 2.385 4.755) 6.167 7.755 ( -1.444 0.365 -3.901) 4.176 7.958 ( -4.316 4.874 -2.346) 6.920 7.970 ( -2.549 7.837 -2.060) 8.494 8.784 ( 11.198 1.211 1.714) 11.393 8.850 ( 11.397 -0.156 -4.294) 12.180 9.649 ( -3.616 -3.616 4.410) 6.753 9.662 ( -6.368 -3.633 5.092) 8.926 9.853 ( -0.791 -4.786 -3.082) 5.747 9.973 ( -5.328 -4.847 -11.949) 13.952 10.371 ( -5.835 -3.842 5.831) 9.100 10.486 ( -9.634 -1.923 -5.651) 11.333 17.472 ( 0.069 0.886 0.369) 0.962 17.480 ( -0.055 1.137 -0.180) 1.152 17.481 ( -0.038 1.102 0.129) 1.110 17.492 ( -0.398 2.252 -0.869) 2.446 17.910 ( 0.505 -0.098 0.934) 1.066 17.926 ( 0.350 -0.136 -0.622) 0.727 18.004 ( 0.691 -0.899 1.253) 1.689 18.035 ( -0.143 -0.877 -1.669) 1.891 31.372 ( -2.003 -0.651 -0.441) 2.152 31.375 ( -2.036 -0.749 -0.692) 2.277 31.552 ( 4.481 -2.739 2.562) 5.843 31.569 ( 4.303 -3.103 1.116) 5.421 51.027 ( 3.956 -2.864 10.317) 11.414 51.205 ( 1.618 -3.692 -6.615) 7.747 52.276 ( -4.790 -20.281 10.181) 23.193 52.450 ( -6.252 -14.719 -7.794) 17.790 ======================= Grid point 137 (48/63) ======================= q-point: ( 0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 11.436 7.140 14.248) 19.616 1.474 ( 8.304 15.267 8.199) 19.216 1.491 ( 1.222 22.990 -4.612) 23.480 1.574 ( 1.381 17.639 -0.815) 17.712 1.628 ( -2.574 2.431 -11.432) 11.968 1.766 ( -11.030 0.531 -15.509) 19.038 2.163 ( -8.823 10.865 2.075) 14.149 2.216 ( -10.999 12.443 -3.006) 16.877 2.941 ( 8.267 6.540 5.493) 11.887 2.952 ( 10.620 11.083 3.793) 15.812 2.994 ( 2.085 11.377 4.772) 12.512 3.132 ( 5.460 7.988 -4.260) 10.572 3.209 ( 3.162 4.226 1.964) 5.632 3.229 ( 3.319 2.207 -1.930) 4.429 3.282 ( 1.243 11.250 0.524) 11.331 3.288 ( -1.391 10.718 0.978) 10.852 3.735 ( 0.149 1.133 8.374) 8.451 3.919 ( -5.141 -0.818 3.765) 6.424 4.100 ( -3.789 4.537 1.683) 6.146 4.324 ( -14.221 -0.588 -9.181) 16.937 4.719 ( 8.447 -4.162 5.933) 11.130 4.807 ( -0.579 -4.173 -1.585) 4.501 5.345 ( 1.556 -4.202 0.097) 4.482 5.394 ( -3.054 -4.492 -4.228) 6.883 6.117 ( 0.618 2.039 0.518) 2.193 6.138 ( -1.319 1.882 -1.445) 2.715 6.296 ( 4.450 8.257 0.412) 9.389 6.324 ( 2.798 7.577 -2.388) 8.423 6.361 ( -0.703 7.505 -0.049) 7.538 6.372 ( -2.312 9.221 -0.722) 9.534 6.534 ( 5.995 2.719 3.791) 7.596 6.586 ( 3.149 0.095 -1.207) 3.374 6.682 ( -0.376 -2.646 1.759) 3.200 6.723 ( -3.192 -0.257 -0.289) 3.215 6.807 ( 0.503 -1.691 1.722) 2.465 6.872 ( -3.787 2.188 -2.878) 5.236 7.172 ( 1.312 -3.173 5.149) 6.189 7.190 ( -0.865 -0.582 3.998) 4.131 7.221 ( -0.440 0.274 3.399) 3.438 7.259 ( -1.840 0.515 2.008) 2.772 7.317 ( 1.701 2.196 -2.350) 3.638 7.356 ( -2.147 3.551 -3.713) 5.568 7.560 ( 1.787 -4.786 -1.818) 5.422 7.617 ( -3.718 -5.979 -6.777) 9.772 7.764 ( 1.719 4.770 2.235) 5.542 7.768 ( 1.954 6.791 2.665) 7.553 7.892 ( -1.319 6.317 -1.544) 6.635 7.915 ( -2.596 7.292 -2.710) 8.201 9.073 ( 15.839 -0.429 2.991) 16.125 9.143 ( 16.305 -1.497 -2.213) 16.522 9.416 ( -14.653 -0.390 4.854) 15.441 9.500 ( -13.948 -2.470 -1.189) 14.215 9.837 ( -0.501 -4.521 -3.153) 5.535 9.856 ( -3.368 -4.377 -5.496) 7.792 10.300 ( -0.714 -4.448 0.053) 4.505 10.334 ( -4.341 -3.629 -3.172) 6.487 17.474 ( 0.130 1.069 0.297) 1.117 17.477 ( -0.162 1.292 0.206) 1.318 17.482 ( 0.090 0.951 -0.287) 0.998 17.485 ( -0.231 1.420 -0.414) 1.497 17.921 ( 0.497 -0.135 0.754) 0.913 17.928 ( -0.179 -0.148 0.146) 0.274 18.019 ( 0.696 -0.942 -0.096) 1.176 18.030 ( -0.364 -0.912 -1.021) 1.417 31.345 ( -0.485 -0.604 -0.564) 0.958 31.349 ( -0.751 -0.632 -0.893) 1.327 31.624 ( 2.115 -3.347 3.018) 4.979 31.631 ( 1.461 -3.513 2.424) 4.511 51.127 ( 5.154 -3.820 8.294) 10.485 51.207 ( -2.048 -4.297 1.296) 4.933 52.224 ( 0.786 -14.505 1.188) 14.575 52.307 ( -6.625 -13.165 -6.553) 16.129 ======================= Grid point 140 (49/63) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 14.416 13.417) 19.694 1.510 ( 0.000 12.509 15.949) 20.269 1.831 ( 0.000 28.065 0.711) 28.074 1.878 ( 0.000 10.949 -14.620) 18.265 1.981 ( 0.000 2.342 1.401) 2.730 2.192 ( 0.000 12.921 -12.355) 17.877 2.571 ( 0.000 25.844 17.505) 31.215 2.624 ( 0.000 17.741 9.775) 20.256 2.978 ( 0.000 8.345 5.529) 10.010 3.005 ( 0.000 9.986 -1.349) 10.077 3.010 ( 0.000 11.229 4.708) 12.176 3.085 ( 0.000 6.207 -6.864) 9.254 3.181 ( 0.000 7.964 -7.877) 11.202 3.258 ( 0.000 10.971 -18.869) 21.826 3.584 ( 0.000 19.989 4.228) 20.431 3.705 ( 0.000 23.276 -8.483) 24.773 3.860 ( 0.000 6.065 4.851) 7.766 3.928 ( 0.000 2.896 -3.657) 4.665 4.376 ( 0.000 2.591 4.060) 4.816 4.406 ( 0.000 3.510 0.759) 3.591 4.850 ( 0.000 -2.710 2.641) 3.784 4.893 ( 0.000 -6.342 0.043) 6.342 5.067 ( 0.000 -5.162 11.997) 13.061 5.305 ( 0.000 -4.546 -11.476) 12.344 6.112 ( 0.000 0.237 2.001) 2.015 6.162 ( 0.000 -1.236 -3.532) 3.742 6.194 ( 0.000 -1.715 -0.979) 1.974 6.195 ( 0.000 -1.611 -0.736) 1.771 6.486 ( 0.000 10.738 2.900) 11.123 6.539 ( 0.000 9.854 -2.299) 10.119 6.611 ( 0.000 -2.765 0.808) 2.881 6.637 ( 0.000 -0.791 -2.181) 2.320 6.740 ( 0.000 9.462 2.248) 9.725 6.772 ( 0.000 14.047 -0.747) 14.067 6.914 ( 0.000 0.800 3.822) 3.905 6.990 ( 0.000 -2.822 0.202) 2.829 7.012 ( 0.000 1.070 0.207) 1.090 7.088 ( 0.000 3.354 -3.300) 4.705 7.330 ( 0.000 0.226 3.204) 3.212 7.371 ( 0.000 -0.451 0.153) 0.476 7.413 ( 0.000 5.426 4.129) 6.818 7.496 ( 0.000 6.060 -2.228) 6.456 7.550 ( 0.000 -2.646 6.746) 7.246 7.647 ( 0.000 -0.862 -0.782) 1.164 7.690 ( 0.000 2.454 4.518) 5.141 7.806 ( 0.000 1.751 -7.761) 7.956 8.083 ( 0.000 4.406 3.367) 5.545 8.142 ( 0.000 6.351 -1.959) 6.646 8.728 ( 0.000 4.041 -1.615) 4.352 8.755 ( 0.000 4.115 -4.782) 6.309 9.524 ( 0.000 -9.166 6.702) 11.354 9.637 ( 0.000 -5.771 2.398) 6.249 9.714 ( 0.000 -9.697 -2.189) 9.941 9.883 ( 0.000 -8.413 -11.703) 14.413 10.352 ( 0.000 -5.867 9.873) 11.485 10.548 ( 0.000 -4.711 -10.008) 11.062 17.491 ( 0.000 1.136 0.407) 1.207 17.499 ( 0.000 1.133 -0.395) 1.200 17.524 ( 0.000 2.420 0.976) 2.609 17.555 ( 0.000 2.756 -2.385) 3.645 17.902 ( 0.000 -0.106 0.789) 0.796 17.917 ( 0.000 -0.160 -0.730) 0.747 17.975 ( 0.000 -1.219 2.003) 2.345 18.013 ( 0.000 -1.428 -1.765) 2.270 31.386 ( 0.000 -1.182 0.459) 1.268 31.398 ( 0.000 -1.303 -0.801) 1.529 31.435 ( 0.000 -2.361 1.284) 2.687 31.447 ( 0.000 -2.307 -0.000) 2.307 50.920 ( 0.000 -3.829 9.044) 9.821 51.094 ( 0.000 -5.268 -8.010) 9.586 51.823 ( 0.000 -25.223 19.780) 32.054 52.124 ( 0.000 -22.594 -11.515) 25.359 ======================= Grid point 141 (50/63) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -3.311 16.340 16.207) 23.251 1.564 ( 4.588 10.433 14.523) 18.461 1.802 ( -4.508 9.510 -12.545) 16.375 1.906 ( 6.813 25.322 1.278) 26.254 1.973 ( -2.751 3.746 -9.754) 10.804 2.079 ( -6.629 20.602 -7.510) 22.908 2.599 ( -6.915 11.612 4.144) 14.136 2.652 ( -4.745 16.359 0.527) 17.041 2.876 ( 9.886 20.399 16.495) 28.034 2.968 ( 5.570 6.670 4.017) 9.573 3.139 ( 1.552 1.899 -6.470) 6.919 3.213 ( 2.818 12.422 -7.195) 14.630 3.269 ( 9.558 14.200 1.509) 17.184 3.334 ( 7.620 12.095 -4.698) 15.047 3.595 ( 0.508 19.923 1.143) 19.962 3.668 ( -3.960 20.309 -4.679) 21.214 3.835 ( -2.974 4.862 0.686) 5.741 3.880 ( -1.066 1.926 -4.772) 5.256 4.398 ( -2.000 1.678 4.467) 5.174 4.456 ( 4.623 3.173 -0.878) 5.676 4.621 ( -12.631 1.705 11.847) 17.401 4.826 ( -6.532 -3.479 -6.708) 9.988 5.164 ( 4.977 -6.829 6.188) 10.474 5.309 ( -0.402 -6.465 -7.948) 10.253 6.113 ( 0.471 -0.353 1.532) 1.641 6.148 ( -0.976 -2.167 -2.242) 3.267 6.260 ( 5.160 -1.046 0.530) 5.292 6.282 ( 7.447 -0.214 -1.437) 7.588 6.506 ( 1.543 9.154 2.578) 9.634 6.556 ( 1.146 8.476 -2.109) 8.809 6.606 ( -0.386 -1.603 0.518) 1.729 6.629 ( -0.256 0.682 -2.334) 2.445 6.732 ( -0.763 10.538 2.908) 10.959 6.775 ( 0.577 11.913 -1.447) 12.014 6.918 ( -2.927 3.227 6.686) 7.980 6.979 ( -0.824 -0.698 1.636) 1.961 7.033 ( 1.662 -1.042 -2.220) 2.962 7.067 ( 0.632 -2.117 -4.255) 4.794 7.294 ( -3.037 0.143 4.999) 5.851 7.353 ( -2.355 1.126 4.769) 5.437 7.387 ( -1.127 4.473 -1.820) 4.959 7.453 ( -3.145 -0.439 0.524) 3.218 7.523 ( -1.478 3.607 -0.040) 3.898 7.615 ( -2.769 -2.418 -4.322) 5.674 7.783 ( 5.111 3.816 2.114) 6.719 7.828 ( 3.612 4.249 -2.419) 6.079 8.055 ( -2.548 4.846 3.556) 6.528 8.118 ( -2.298 6.709 -2.141) 7.408 8.824 ( 9.315 3.355 -0.377) 9.908 8.865 ( 9.755 2.361 -4.110) 10.845 9.521 ( -0.854 -8.377 5.712) 10.175 9.586 ( -5.341 -4.558 3.385) 7.795 9.715 ( 0.055 -8.855 -2.610) 9.231 9.845 ( -3.928 -7.488 -10.952) 13.837 10.269 ( -6.529 -6.035 7.562) 11.672 10.424 ( -10.266 -4.356 -8.123) 13.797 17.493 ( 0.211 1.219 0.395) 1.298 17.501 ( 0.203 1.230 -0.398) 1.309 17.519 ( -0.388 2.280 0.794) 2.445 17.543 ( -0.979 2.607 -1.714) 3.270 17.907 ( 0.442 -0.156 0.874) 0.991 17.922 ( 0.289 -0.239 -0.549) 0.665 17.981 ( 0.566 -1.312 1.324) 1.948 18.011 ( -0.164 -1.432 -1.559) 2.124 31.356 ( -1.954 -0.895 -0.459) 2.198 31.357 ( -1.598 -0.943 -0.600) 1.950 31.490 ( 3.412 -3.110 1.794) 4.953 31.501 ( 3.313 -3.328 0.829) 4.768 50.951 ( 2.860 -4.565 8.974) 10.466 51.105 ( 0.530 -6.116 -5.478) 8.228 51.825 ( 0.668 -22.971 14.542) 27.195 52.078 ( -4.246 -21.434 -10.718) 24.337 ======================= Grid point 142 (51/63) ======================= q-point: ( 0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 5.049 14.414 14.292) 20.917 1.590 ( -6.493 7.549 11.242) 15.018 1.739 ( 2.708 10.098 -13.839) 17.344 1.858 ( -7.197 8.626 -15.020) 18.757 2.040 ( 7.549 23.673 3.779) 25.133 2.129 ( 6.576 26.380 -3.387) 27.398 2.378 ( -8.085 9.683 4.156) 13.281 2.479 ( -10.634 13.664 -5.245) 18.091 3.076 ( 6.552 6.442 5.532) 10.725 3.155 ( -0.908 2.662 -0.007) 2.813 3.214 ( 11.961 16.288 1.285) 20.249 3.275 ( 3.837 8.112 -3.235) 9.539 3.404 ( 3.027 15.644 1.871) 16.044 3.450 ( 0.262 17.874 -2.488) 18.049 3.571 ( -1.272 15.952 1.879) 16.112 3.597 ( -1.846 18.057 -0.594) 18.161 3.780 ( 3.019 3.999 8.729) 10.065 3.920 ( -1.850 1.933 -0.544) 2.731 4.254 ( -4.902 10.804 3.927) 12.498 4.353 ( -9.085 5.094 -2.364) 10.681 4.637 ( 6.185 -3.352 4.224) 8.206 4.729 ( -3.252 -3.040 -3.340) 5.565 5.230 ( 2.189 -7.100 -0.441) 7.443 5.277 ( -2.382 -7.068 -4.713) 8.823 6.124 ( 0.476 -0.637 -0.125) 0.805 6.133 ( -0.516 -1.305 -1.269) 1.891 6.386 ( 6.384 -0.069 3.230) 7.155 6.422 ( 4.710 0.266 0.085) 4.718 6.518 ( -0.852 4.598 2.213) 5.173 6.542 ( -2.776 3.628 0.906) 4.657 6.617 ( 1.883 2.642 -0.549) 3.291 6.640 ( 0.418 4.274 -2.665) 5.054 6.718 ( 0.344 9.462 3.461) 10.081 6.781 ( -4.005 7.266 -0.218) 8.299 6.832 ( 1.473 6.081 0.926) 6.325 6.918 ( -4.867 3.079 -4.181) 7.117 7.087 ( 4.068 -3.534 3.186) 6.261 7.130 ( 2.024 -4.143 -0.553) 4.644 7.232 ( -1.772 -0.007 7.721) 7.922 7.276 ( -4.171 1.194 5.473) 6.984 7.391 ( 0.718 1.938 -6.979) 7.279 7.406 ( -1.218 -0.275 -3.491) 3.708 7.507 ( 0.150 2.069 -2.320) 3.112 7.542 ( -3.272 0.059 -6.117) 6.937 7.879 ( 4.582 5.496 3.774) 8.090 7.926 ( 3.340 7.901 0.708) 8.607 7.995 ( -1.849 3.746 1.897) 4.588 8.052 ( -4.048 6.248 -2.279) 7.785 9.072 ( 13.308 0.696 1.316) 13.391 9.110 ( 12.457 -1.236 -1.386) 12.595 9.411 ( -10.133 -0.282 2.598) 10.464 9.439 ( -8.921 -3.452 0.994) 9.618 9.716 ( 0.232 -6.993 -2.298) 7.364 9.748 ( -3.662 -5.799 -5.394) 8.726 10.176 ( -1.255 -7.798 0.928) 7.952 10.232 ( -6.746 -6.537 -4.496) 10.414 17.499 ( 0.369 1.433 0.376) 1.527 17.505 ( -0.015 1.483 -0.041) 1.484 17.513 ( 0.023 2.003 0.078) 2.004 17.524 ( -0.843 2.188 -0.829) 2.487 17.917 ( 0.455 -0.241 0.749) 0.909 17.924 ( -0.174 -0.276 0.208) 0.387 17.995 ( 0.675 -1.425 -0.027) 1.577 18.006 ( -0.393 -1.443 -0.977) 1.787 31.331 ( -0.475 -0.739 -0.564) 1.044 31.334 ( -0.694 -0.777 -0.839) 1.338 31.546 ( 1.671 -4.053 2.223) 4.916 31.551 ( 1.222 -4.126 1.795) 4.663 51.025 ( 3.934 -6.142 7.261) 10.292 51.091 ( -2.146 -7.009 1.639) 7.511 51.869 ( 3.791 -19.725 2.508) 20.242 51.970 ( -5.691 -19.524 -6.867) 21.464 ======================= Grid point 145 (52/63) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 10.052 14.468) 17.617 1.798 ( 0.000 16.406 4.244) 16.947 2.045 ( 0.000 5.257 -5.329) 7.486 2.063 ( 0.000 9.413 -9.601) 13.445 2.296 ( 0.000 19.513 9.548) 21.724 2.470 ( 0.000 13.621 -7.418) 15.510 2.934 ( 0.000 8.979 5.212) 10.382 3.055 ( 0.000 4.193 -0.155) 4.196 3.158 ( 0.000 12.930 -1.509) 13.017 3.171 ( 0.000 7.531 3.710) 8.395 3.193 ( 0.000 10.468 1.483) 10.573 3.259 ( 0.000 14.828 -3.236) 15.177 3.426 ( 0.000 19.647 0.336) 19.650 3.560 ( 0.000 20.404 -11.479) 23.411 3.837 ( 0.000 6.182 4.270) 7.513 3.934 ( 0.000 1.050 -5.364) 5.466 4.107 ( 0.000 15.239 6.724) 16.657 4.180 ( 0.000 19.193 -1.924) 19.289 4.399 ( 0.000 -0.768 8.188) 8.224 4.536 ( 0.000 3.667 -3.337) 4.958 4.790 ( 0.000 2.320 4.233) 4.827 4.899 ( 0.000 9.188 -5.886) 10.911 5.004 ( 0.000 -0.684 10.351) 10.373 5.219 ( 0.000 -3.773 -10.922) 11.555 6.126 ( 0.000 0.828 1.738) 1.925 6.129 ( 0.000 -1.438 0.145) 1.445 6.164 ( 0.000 -1.350 -1.630) 2.116 6.181 ( 0.000 -0.178 -2.874) 2.880 6.496 ( 0.000 -5.874 4.509) 7.405 6.554 ( 0.000 -3.449 0.679) 3.515 6.609 ( 0.000 -1.543 1.146) 1.922 6.675 ( 0.000 2.243 -4.270) 4.823 6.860 ( 0.000 6.303 3.157) 7.049 6.913 ( 0.000 2.885 -1.951) 3.483 7.040 ( 0.000 4.204 3.868) 5.713 7.076 ( 0.000 8.494 -0.090) 8.495 7.098 ( 0.000 7.231 -0.057) 7.231 7.144 ( 0.000 2.754 -3.180) 4.207 7.326 ( 0.000 -0.333 2.750) 2.770 7.340 ( 0.000 -2.413 1.543) 2.864 7.458 ( 0.000 -1.056 6.992) 7.071 7.556 ( 0.000 -0.921 -1.481) 1.744 7.560 ( 0.000 3.106 3.924) 5.004 7.666 ( 0.000 3.322 -5.954) 6.818 7.766 ( 0.000 4.210 0.187) 4.215 7.800 ( 0.000 -2.462 -4.074) 4.761 8.185 ( 0.000 5.500 4.294) 6.978 8.254 ( 0.000 5.094 -2.373) 5.620 8.863 ( 0.000 10.450 -0.351) 10.456 8.918 ( 0.000 12.706 -5.973) 14.040 9.317 ( 0.000 -10.931 8.131) 13.624 9.486 ( 0.000 -11.870 -7.822) 14.215 9.521 ( 0.000 -6.459 7.254) 9.713 9.709 ( 0.000 -8.680 -10.115) 13.329 10.229 ( 0.000 -6.430 10.454) 12.273 10.428 ( 0.000 -7.373 -9.617) 12.118 17.515 ( 0.000 1.285 0.387) 1.342 17.523 ( 0.000 1.252 -0.389) 1.311 17.572 ( 0.000 2.341 1.058) 2.569 17.602 ( 0.000 1.941 -1.985) 2.777 17.900 ( 0.000 -0.093 0.693) 0.700 17.914 ( 0.000 -0.203 -0.658) 0.689 17.950 ( 0.000 -1.250 1.702) 2.111 17.982 ( 0.000 -1.613 -1.485) 2.192 31.363 ( 0.000 -1.028 0.322) 1.077 31.373 ( 0.000 -1.057 -0.792) 1.321 31.398 ( 0.000 -1.320 0.989) 1.650 31.411 ( 0.000 -1.344 -0.376) 1.396 50.840 ( 0.000 -4.063 7.204) 8.271 50.981 ( 0.000 -5.867 -6.624) 8.849 51.377 ( 0.000 -19.619 17.447) 26.255 51.672 ( 0.000 -22.088 -12.272) 25.269 ======================= Grid point 146 (53/63) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 1.462 12.040 9.912) 15.663 1.777 ( 0.824 15.251 10.919) 18.775 1.991 ( -3.187 11.323 -6.562) 13.469 2.090 ( 0.456 7.639 -8.619) 11.526 2.315 ( 2.569 16.902 5.631) 18.000 2.452 ( -0.591 15.396 -6.678) 16.792 2.800 ( -13.647 6.728 5.760) 16.269 2.932 ( -8.706 10.090 -6.768) 14.947 3.058 ( 3.519 4.495 3.702) 6.804 3.183 ( 1.298 3.617 -5.817) 6.971 3.414 ( 12.230 24.086 7.135) 27.940 3.488 ( 9.076 11.267 2.179) 14.631 3.537 ( 10.562 9.143 -2.115) 14.128 3.550 ( 0.666 18.716 -2.914) 18.953 3.861 ( -2.297 4.815 -0.493) 5.357 3.896 ( 3.909 7.733 -4.044) 9.562 4.032 ( -6.291 13.711 4.998) 15.892 4.112 ( -5.839 17.128 -3.693) 18.469 4.442 ( 3.153 1.311 10.261) 10.814 4.587 ( 3.151 8.011 -1.047) 8.672 4.743 ( -5.084 5.511 0.893) 7.551 4.795 ( -6.961 8.981 -0.136) 11.364 5.045 ( 2.224 -4.118 3.355) 5.758 5.192 ( -2.343 -4.434 -9.559) 10.794 6.098 ( -0.544 -1.337 0.434) 1.507 6.121 ( -0.702 -0.301 -1.217) 1.437 6.231 ( 5.599 -1.502 1.642) 6.025 6.272 ( 6.527 -0.606 -1.815) 6.802 6.503 ( 0.491 -4.669 3.975) 6.151 6.568 ( 0.971 -3.308 -2.179) 4.078 6.603 ( -0.410 -1.395 5.385) 5.578 6.702 ( 1.733 2.225 -4.570) 5.370 6.868 ( 0.626 4.458 2.649) 5.223 6.904 ( -1.374 1.086 -0.252) 1.769 7.028 ( -2.144 4.465 1.302) 5.122 7.062 ( -1.684 7.457 -0.251) 7.649 7.076 ( -0.095 6.750 -0.054) 6.751 7.106 ( -1.858 3.899 -3.733) 5.709 7.300 ( -2.544 0.976 4.493) 5.254 7.347 ( 0.713 -1.732 0.644) 1.980 7.391 ( -4.932 -0.864 4.944) 7.037 7.474 ( -3.843 1.109 -2.675) 4.812 7.602 ( -0.949 2.535 0.260) 2.720 7.644 ( 0.168 5.141 -3.730) 6.354 7.833 ( 3.887 -0.585 1.058) 4.070 7.878 ( 7.186 1.563 -2.479) 7.761 8.143 ( -3.643 3.719 5.174) 7.340 8.227 ( -2.695 4.193 -3.014) 5.825 8.938 ( 6.905 8.589 0.112) 11.021 8.990 ( 6.452 10.629 -5.150) 13.458 9.336 ( 1.430 -9.572 7.307) 12.127 9.477 ( -2.747 -6.922 -3.682) 8.308 9.528 ( 2.376 -8.580 3.552) 9.585 9.695 ( -1.106 -7.245 -9.721) 12.174 10.144 ( -7.452 -6.333 8.773) 13.138 10.316 ( -9.998 -6.450 -8.621) 14.693 17.519 ( 0.383 1.384 0.382) 1.486 17.527 ( 0.398 1.360 -0.412) 1.476 17.565 ( -0.593 2.260 0.894) 2.502 17.590 ( -1.071 2.004 -1.547) 2.749 17.904 ( 0.333 -0.167 0.765) 0.851 17.917 ( 0.182 -0.303 -0.415) 0.545 17.954 ( 0.431 -1.314 1.135) 1.789 17.980 ( -0.152 -1.595 -1.338) 2.087 31.340 ( -1.474 -0.608 -0.317) 1.625 31.342 ( -1.383 -0.538 -0.573) 1.591 31.438 ( 2.315 -2.073 1.030) 3.274 31.445 ( 2.224 -2.252 0.431) 3.194 50.856 ( 1.461 -4.834 7.059) 8.680 50.974 ( -0.878 -6.863 -3.606) 7.802 51.407 ( 2.871 -18.814 12.176) 22.593 51.646 ( -2.522 -21.254 -10.856) 23.998 ======================= Grid point 147 (54/63) ======================= q-point: ( 0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 1.905 16.891 10.735) 20.104 1.813 ( -1.418 14.343 13.794) 19.950 1.978 ( 3.485 13.369 -9.346) 16.680 2.065 ( -3.213 11.194 -10.297) 15.545 2.388 ( 4.639 12.751 4.805) 14.395 2.514 ( 6.002 10.007 -6.064) 13.150 2.544 ( -8.958 10.159 6.852) 15.179 2.721 ( -11.174 9.696 -9.773) 17.731 3.160 ( 4.599 3.127 0.469) 5.582 3.204 ( 0.075 2.805 -3.485) 4.474 3.491 ( 0.520 8.874 4.077) 9.779 3.551 ( -3.121 10.423 -1.878) 11.041 3.696 ( 8.712 14.195 3.188) 16.957 3.746 ( 10.617 13.197 -1.486) 17.003 3.869 ( -7.544 13.609 4.449) 16.184 3.928 ( -0.156 16.061 0.752) 16.080 3.966 ( 2.531 13.677 1.726) 14.016 4.055 ( 3.172 12.406 -3.910) 13.389 4.467 ( -0.074 9.587 9.757) 13.679 4.563 ( -8.489 12.707 6.869) 16.754 4.649 ( 2.031 7.676 -3.834) 8.818 4.703 ( -2.916 0.507 -2.986) 4.204 5.086 ( 2.126 -6.036 -2.013) 6.709 5.137 ( -2.791 -5.489 -6.404) 8.885 6.100 ( 0.456 -1.468 -0.237) 1.555 6.110 ( -0.490 -1.018 -1.044) 1.538 6.360 ( 6.257 -1.843 3.613) 7.457 6.395 ( 4.058 -1.880 0.410) 4.491 6.505 ( -0.248 -2.647 4.336) 5.086 6.545 ( -4.188 -1.932 5.478) 7.161 6.616 ( 3.090 -2.501 -2.033) 4.465 6.695 ( -3.140 -0.307 -4.725) 5.682 6.885 ( 1.913 4.366 0.447) 4.788 6.910 ( 3.110 1.288 -1.027) 3.520 6.955 ( -4.091 5.448 0.245) 6.817 6.995 ( -4.255 3.153 -3.073) 6.123 7.116 ( 2.432 6.954 0.964) 7.430 7.131 ( 3.637 5.646 -0.453) 6.731 7.225 ( -3.382 0.506 4.907) 5.981 7.277 ( -5.875 -0.335 0.862) 5.948 7.379 ( 2.247 0.596 0.333) 2.348 7.423 ( -1.713 0.918 -3.347) 3.871 7.588 ( 0.407 5.431 -1.217) 5.580 7.622 ( -2.176 5.394 -4.451) 7.324 7.935 ( 5.498 -0.549 5.228) 7.607 8.013 ( 3.606 -0.418 -1.025) 3.772 8.061 ( -2.067 3.224 3.727) 5.344 8.148 ( -4.894 2.924 -3.489) 6.684 9.105 ( 7.767 2.858 0.661) 8.303 9.136 ( 5.758 4.417 -2.492) 7.673 9.346 ( -0.648 -5.884 3.609) 6.933 9.389 ( -4.980 -3.331 -0.173) 5.994 9.603 ( 4.389 -3.074 0.650) 5.397 9.672 ( -1.640 -0.685 -5.128) 5.427 10.004 ( -3.203 -9.067 2.224) 9.870 10.089 ( -10.069 -7.331 -5.947) 13.802 17.530 ( 0.617 1.628 0.361) 1.778 17.537 ( 0.300 1.642 -0.277) 1.692 17.553 ( -0.275 2.005 0.355) 2.054 17.566 ( -1.115 1.961 -0.817) 2.399 17.911 ( 0.369 -0.299 0.712) 0.856 17.917 ( -0.167 -0.366 0.299) 0.501 17.965 ( 0.584 -1.447 -0.070) 1.562 17.975 ( -0.364 -1.544 -0.889) 1.818 31.320 ( -0.425 -0.316 -0.518) 0.741 31.322 ( -0.594 -0.356 -0.722) 1.001 31.476 ( 1.143 -2.875 1.383) 3.389 31.479 ( 0.857 -2.967 1.106) 3.280 50.896 ( 2.339 -6.525 5.755) 9.009 50.943 ( -2.065 -7.601 2.031) 8.134 51.485 ( 4.451 -18.320 1.850) 18.943 51.576 ( -4.185 -19.486 -6.324) 20.910 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.000 10.494 9.611) 14.230 2.064 ( 0.000 8.852 -3.994) 9.712 2.218 ( 0.000 12.950 -0.323) 12.954 2.266 ( 0.000 10.777 -4.314) 11.608 2.653 ( 0.000 16.693 7.734) 18.398 2.718 ( 0.000 11.065 -0.766) 11.091 3.035 ( 0.000 2.589 -3.078) 4.022 3.098 ( 0.000 2.827 -6.945) 7.498 3.256 ( 0.000 2.833 7.603) 8.113 3.282 ( 0.000 2.924 2.696) 3.977 3.338 ( 0.000 3.290 -2.090) 3.897 3.406 ( 0.000 2.558 -6.584) 7.064 3.902 ( 0.000 0.584 0.733) 0.937 3.910 ( 0.000 -2.982 -0.095) 2.983 4.010 ( 0.000 28.340 0.526) 28.345 4.019 ( 0.000 20.917 0.067) 20.918 4.176 ( 0.000 -5.808 13.725) 14.903 4.403 ( 0.000 -9.333 -5.351) 10.758 4.520 ( 0.000 15.347 -0.964) 15.377 4.534 ( 0.000 14.097 1.003) 14.133 5.012 ( 0.000 5.838 7.080) 9.176 5.118 ( 0.000 18.097 0.721) 18.111 5.154 ( 0.000 4.869 -5.120) 7.065 5.183 ( 0.000 9.598 -7.544) 12.208 6.113 ( 0.000 -0.297 1.631) 1.658 6.118 ( 0.000 -1.511 1.206) 1.933 6.157 ( 0.000 0.188 -1.447) 1.459 6.172 ( 0.000 -0.893 -3.269) 3.389 6.378 ( 0.000 -4.779 4.387) 6.487 6.466 ( 0.000 -4.138 -3.820) 5.632 6.582 ( 0.000 -0.672 6.918) 6.951 6.709 ( 0.000 0.972 -5.888) 5.968 6.954 ( 0.000 3.021 1.826) 3.530 6.963 ( 0.000 2.202 0.852) 2.361 7.105 ( 0.000 2.213 3.108) 3.815 7.160 ( 0.000 1.383 -1.651) 2.154 7.212 ( 0.000 3.944 -0.950) 4.057 7.213 ( 0.000 2.949 -0.930) 3.092 7.272 ( 0.000 -4.263 3.408) 5.458 7.312 ( 0.000 -1.294 -0.236) 1.315 7.445 ( 0.000 0.384 6.712) 6.723 7.527 ( 0.000 -1.106 -0.752) 1.338 7.629 ( 0.000 3.859 2.682) 4.699 7.719 ( 0.000 -1.861 1.311) 2.277 7.724 ( 0.000 -0.712 -6.240) 6.280 7.793 ( 0.000 -1.740 -4.767) 5.075 8.285 ( 0.000 4.084 2.740) 4.919 8.340 ( 0.000 3.092 -2.449) 3.944 9.003 ( 0.000 -5.495 7.845) 9.578 9.161 ( 0.000 0.053 -7.082) 7.082 9.257 ( 0.000 13.570 1.175) 13.621 9.315 ( 0.000 4.666 -4.162) 6.253 9.411 ( 0.000 -3.916 4.337) 5.844 9.549 ( 0.000 -7.337 -7.937) 10.809 10.104 ( 0.000 -5.962 8.768) 10.603 10.262 ( 0.000 -9.122 -7.222) 11.635 17.540 ( 0.000 1.164 0.326) 1.209 17.547 ( 0.000 1.081 -0.337) 1.132 17.614 ( 0.000 1.852 0.758) 2.001 17.634 ( 0.000 1.297 -1.205) 1.770 17.899 ( 0.000 -0.050 0.546) 0.548 17.909 ( 0.000 -0.217 -0.531) 0.574 17.927 ( 0.000 -1.037 1.263) 1.634 17.951 ( 0.000 -1.480 -1.113) 1.852 31.348 ( 0.000 -0.404 0.280) 0.491 31.358 ( 0.000 -0.508 -0.685) 0.853 31.381 ( 0.000 -0.450 0.711) 0.841 31.392 ( 0.000 -0.614 -0.434) 0.752 50.765 ( 0.000 -3.341 5.234) 6.209 50.869 ( 0.000 -5.241 -4.952) 7.210 51.044 ( 0.000 -13.893 12.421) 18.636 51.269 ( 0.000 -18.168 -9.927) 20.704 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 4.097 10.330 9.836) 14.841 2.070 ( 0.863 12.324 1.293) 12.421 2.227 ( 1.388 10.788 -2.975) 11.276 2.270 ( -0.178 10.969 -5.764) 12.393 2.614 ( -2.336 13.679 8.144) 16.090 2.729 ( 0.055 12.982 -3.669) 13.490 2.880 ( -12.395 2.372 6.568) 14.227 3.052 ( -6.162 4.316 -10.269) 12.731 3.164 ( 2.060 5.480 1.814) 6.129 3.267 ( -1.612 4.125 -6.457) 7.830 3.498 ( 4.778 -0.667 2.030) 5.234 3.535 ( 8.366 -4.047 -1.574) 9.426 3.845 ( 0.199 5.409 2.952) 6.165 3.879 ( -1.185 3.647 -0.624) 3.885 4.084 ( 6.389 23.332 1.870) 24.263 4.134 ( 8.215 16.752 -2.568) 18.834 4.178 ( -1.003 -1.214 11.503) 11.610 4.353 ( -4.023 2.327 -4.342) 6.360 4.509 ( 1.785 8.678 6.778) 11.155 4.628 ( 5.076 5.723 -4.264) 8.758 4.972 ( -6.931 9.665 5.722) 13.198 5.049 ( -1.392 6.168 -1.467) 6.491 5.094 ( -5.904 15.609 -1.354) 16.743 5.197 ( -0.083 8.044 -8.214) 11.497 6.078 ( -0.722 -0.539 0.624) 1.096 6.115 ( -1.511 -0.595 -2.493) 2.976 6.204 ( 5.318 -1.419 3.129) 6.331 6.257 ( 5.413 -1.062 -1.639) 5.754 6.407 ( 2.424 -3.989 3.637) 5.918 6.482 ( 1.514 -4.416 -3.530) 5.852 6.567 ( -1.838 -1.663 8.019) 8.393 6.709 ( -0.925 -1.072 -6.019) 6.183 6.926 ( -2.153 2.117 1.242) 3.264 6.937 ( -1.752 2.427 0.075) 2.995 7.101 ( -2.244 1.894 1.478) 3.288 7.127 ( -1.668 0.256 0.247) 1.705 7.173 ( -1.351 4.427 -0.230) 4.634 7.205 ( -0.473 3.366 -2.581) 4.268 7.313 ( 2.661 -0.704 1.675) 3.222 7.332 ( 1.667 0.958 0.197) 1.932 7.406 ( -2.717 2.259 5.197) 6.285 7.488 ( -3.316 0.932 -2.539) 4.279 7.660 ( 2.302 2.702 2.830) 4.540 7.727 ( 0.331 3.247 -2.713) 4.244 7.759 ( 3.689 -5.701 2.977) 7.415 7.867 ( 5.543 -3.072 -6.035) 8.751 8.194 ( -7.385 1.333 4.437) 8.718 8.282 ( -5.431 1.151 -4.158) 6.936 9.056 ( 4.541 -4.097 6.327) 8.799 9.172 ( 1.264 1.006 -4.327) 4.619 9.289 ( 1.233 10.544 0.376) 10.623 9.353 ( 0.043 -1.654 -4.700) 4.983 9.423 ( 4.767 0.042 5.764) 7.480 9.574 ( 3.480 -3.975 -8.337) 9.869 10.030 ( -6.931 -4.856 7.880) 11.564 10.177 ( -7.925 -7.328 -7.011) 12.871 17.546 ( 0.572 1.266 0.326) 1.427 17.553 ( 0.595 1.181 -0.362) 1.371 17.606 ( -0.711 1.822 0.672) 2.068 17.623 ( -0.961 1.392 -0.997) 1.964 17.901 ( 0.198 -0.130 0.604) 0.649 17.911 ( 0.045 -0.326 -0.200) 0.384 17.930 ( 0.340 -1.062 0.738) 1.337 17.950 ( -0.102 -1.448 -1.022) 1.776 31.334 ( -0.936 0.036 -0.174) 0.952 31.337 ( -1.069 0.049 -0.490) 1.177 31.407 ( 1.538 -1.139 0.594) 2.004 31.411 ( 1.352 -1.207 0.162) 1.820 50.767 ( 0.215 -3.906 4.962) 6.319 50.843 ( -2.032 -6.056 -1.243) 6.508 51.084 ( 3.309 -13.629 7.282) 15.803 51.257 ( -1.246 -17.595 -8.571) 19.611 ======================= Grid point 152 (57/63) ======================= q-point: ( 0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 4.403 12.386 10.894) 17.072 2.101 ( 1.080 13.310 8.561) 15.862 2.250 ( 0.432 12.999 -4.925) 13.907 2.268 ( -0.058 8.686 -5.123) 10.084 2.582 ( -0.360 7.848 5.210) 9.427 2.638 ( -6.596 5.940 2.995) 9.368 2.771 ( 2.046 11.490 -3.272) 12.121 2.882 ( -8.423 7.758 -10.677) 15.657 3.230 ( 3.207 3.997 -1.245) 5.273 3.265 ( -0.130 3.345 -4.237) 5.400 3.540 ( 0.647 -1.823 2.274) 2.985 3.570 ( -2.107 -4.099 -0.685) 4.660 3.911 ( 4.924 5.112 4.709) 8.518 3.959 ( 4.246 2.832 0.743) 5.158 4.111 ( -0.854 11.569 4.562) 12.465 4.203 ( -5.580 11.104 -3.104) 12.809 4.277 ( 9.227 15.451 2.484) 18.167 4.339 ( 4.599 13.496 -3.499) 14.681 4.580 ( 3.897 -0.909 8.023) 8.966 4.667 ( -3.131 -1.512 -1.435) 3.761 4.821 ( -2.824 13.536 6.903) 15.455 4.912 ( -8.784 15.541 -2.072) 17.972 5.097 ( 3.275 8.683 -3.276) 9.841 5.165 ( -2.840 8.868 -7.769) 12.127 6.078 ( 0.490 -0.546 -0.364) 0.819 6.092 ( -0.839 -0.659 -1.576) 1.903 6.323 ( 5.849 -2.161 4.366) 7.613 6.363 ( 3.590 -1.467 0.766) 3.953 6.449 ( 1.028 -2.570 3.689) 4.612 6.495 ( -4.617 -2.806 7.772) 9.466 6.532 ( 3.721 -5.495 -4.055) 7.777 6.636 ( -5.629 -4.554 -5.337) 8.995 6.918 ( 1.280 1.681 -0.191) 2.122 6.929 ( 1.020 1.465 -1.388) 2.261 7.031 ( -2.681 2.727 0.310) 3.837 7.058 ( -4.190 2.392 -2.235) 5.317 7.208 ( 2.776 2.796 0.570) 3.982 7.215 ( 1.403 2.568 -0.279) 2.940 7.308 ( -1.693 5.369 2.093) 6.006 7.335 ( -3.007 5.033 -0.407) 5.877 7.416 ( 3.239 2.896 1.388) 4.561 7.449 ( -0.228 1.702 -1.463) 2.256 7.692 ( 0.935 4.229 0.447) 4.354 7.716 ( -1.290 3.892 -1.961) 4.545 7.860 ( 5.742 -6.248 5.992) 10.388 7.958 ( -0.088 -4.536 -1.839) 4.895 8.063 ( -1.432 -2.839 1.908) 3.708 8.152 ( -6.483 -2.412 -5.125) 8.609 9.161 ( 5.181 -1.374 3.373) 6.333 9.218 ( 2.991 -3.105 -0.506) 4.341 9.258 ( -3.365 4.539 -0.119) 5.652 9.301 ( -3.821 -3.107 -1.698) 5.210 9.601 ( 10.669 2.422 3.634) 11.529 9.713 ( 8.360 3.242 -6.759) 11.229 9.849 ( -8.838 -4.795 5.009) 11.233 9.968 ( -11.556 -4.127 -6.710) 13.986 17.562 ( 0.877 1.512 0.304) 1.775 17.568 ( 0.678 1.459 -0.353) 1.647 17.590 ( -0.655 1.621 0.405) 1.795 17.600 ( -1.182 1.455 -0.587) 1.965 17.905 ( 0.242 -0.283 0.612) 0.716 17.910 ( -0.146 -0.381 0.375) 0.554 17.939 ( 0.438 -1.199 -0.180) 1.289 17.946 ( -0.265 -1.354 -0.734) 1.563 31.320 ( -0.319 0.387 -0.422) 0.656 31.322 ( -0.438 0.352 -0.550) 0.787 31.431 ( 0.723 -1.689 0.780) 1.996 31.433 ( 0.572 -1.747 0.636) 1.944 50.777 ( 0.848 -5.179 4.024) 6.613 50.803 ( -1.686 -6.171 2.179) 6.759 51.157 ( 3.472 -14.535 0.552) 14.954 51.219 ( -2.492 -16.162 -4.864) 17.062 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 8.236 3.702) 9.030 2.191 ( 0.000 4.833 -3.732) 6.107 2.479 ( 0.000 10.458 2.141) 10.675 2.487 ( 0.000 12.703 0.461) 12.711 2.890 ( 0.000 5.905 1.120) 6.011 2.935 ( 0.000 8.646 -0.440) 8.657 3.078 ( 0.000 4.890 3.508) 6.019 3.174 ( 0.000 3.095 -2.783) 4.162 3.253 ( 0.000 -3.006 2.912) 4.185 3.294 ( 0.000 0.384 -1.623) 1.667 3.417 ( 0.000 5.650 -0.887) 5.719 3.455 ( 0.000 2.999 -4.374) 5.303 3.814 ( 0.000 -6.125 2.604) 6.655 3.853 ( 0.000 -4.663 -1.124) 4.797 3.974 ( 0.000 -10.335 8.398) 13.317 4.066 ( 0.000 -11.054 0.858) 11.087 4.502 ( 0.000 16.808 -1.049) 16.840 4.504 ( 0.000 13.944 -0.969) 13.977 4.792 ( 0.000 11.787 -0.514) 11.799 4.822 ( 0.000 13.968 -1.438) 14.042 5.123 ( 0.000 6.034 1.005) 6.117 5.160 ( 0.000 0.957 -2.981) 3.131 5.461 ( 0.000 13.762 0.035) 13.762 5.462 ( 0.000 12.067 -0.593) 12.081 6.084 ( 0.000 -1.755 1.246) 2.152 6.101 ( 0.000 -1.310 1.128) 1.729 6.150 ( 0.000 -0.801 -3.496) 3.587 6.150 ( 0.000 -0.572 -2.085) 2.162 6.334 ( 0.000 0.332 4.690) 4.702 6.425 ( 0.000 -0.148 -3.391) 3.394 6.569 ( 0.000 -0.890 7.401) 7.454 6.696 ( 0.000 -2.532 -5.036) 5.636 7.001 ( 0.000 2.212 1.183) 2.508 7.008 ( 0.000 2.415 0.324) 2.437 7.119 ( 0.000 -0.582 2.785) 2.845 7.157 ( 0.000 -1.557 -0.520) 1.642 7.191 ( 0.000 -3.340 4.067) 5.263 7.229 ( 0.000 -1.586 -0.048) 1.587 7.267 ( 0.000 1.852 -1.340) 2.286 7.292 ( 0.000 -0.011 -3.063) 3.063 7.472 ( 0.000 2.001 3.965) 4.441 7.518 ( 0.000 0.044 -0.347) 0.350 7.633 ( 0.000 -3.402 2.293) 4.103 7.678 ( 0.000 -1.426 -1.440) 2.027 7.763 ( 0.000 2.051 -2.205) 3.011 7.774 ( 0.000 3.067 -2.719) 4.099 8.325 ( 0.000 -0.501 1.188) 1.290 8.351 ( 0.000 -2.454 -0.768) 2.571 8.876 ( 0.000 -3.390 7.507) 8.237 9.022 ( 0.000 -6.193 -5.398) 8.215 9.294 ( 0.000 -4.605 1.918) 4.989 9.399 ( 0.000 -6.310 -6.944) 9.382 9.608 ( 0.000 13.268 -0.416) 13.275 9.614 ( 0.000 16.407 -1.142) 16.447 10.006 ( 0.000 -3.519 3.964) 5.300 10.078 ( 0.000 -9.016 -3.212) 9.571 17.560 ( 0.000 0.834 0.220) 0.862 17.565 ( 0.000 0.702 -0.232) 0.739 17.645 ( 0.000 1.186 0.390) 1.248 17.654 ( 0.000 0.760 -0.571) 0.951 17.898 ( 0.000 0.021 0.356) 0.356 17.905 ( 0.000 -0.195 -0.350) 0.400 17.910 ( 0.000 -0.631 0.771) 0.997 17.925 ( 0.000 -1.113 -0.685) 1.307 31.346 ( 0.000 0.104 0.207) 0.232 31.352 ( 0.000 -0.091 -0.437) 0.447 31.377 ( 0.000 -0.040 0.418) 0.420 31.384 ( 0.000 -0.267 -0.319) 0.416 50.713 ( 0.000 -1.837 3.404) 3.868 50.779 ( 0.000 -3.739 -3.134) 4.878 50.828 ( 0.000 -7.848 7.109) 10.589 50.962 ( 0.000 -12.612 -6.132) 14.023 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 3.492 7.599 5.078) 9.784 2.236 ( 3.911 4.688 -2.808) 6.720 2.438 ( -2.675 10.510 2.628) 11.159 2.479 ( -1.643 9.023 -0.774) 9.204 2.840 ( -3.355 7.297 4.326) 9.122 2.916 ( -7.022 4.731 0.219) 8.470 2.986 ( -1.174 10.959 4.089) 11.756 3.146 ( -4.590 4.191 -7.913) 10.062 3.251 ( 2.668 2.999 0.100) 4.015 3.329 ( 0.516 1.312 -5.254) 5.440 3.445 ( 2.091 -1.727 1.292) 3.004 3.479 ( 0.841 -0.895 -1.745) 2.134 3.845 ( 4.556 -2.871 2.478) 5.928 3.871 ( 1.578 -2.821 0.101) 3.234 4.031 ( 5.382 -10.111 10.069) 15.251 4.161 ( 7.283 -11.240 -1.511) 13.479 4.469 ( -1.198 13.967 1.330) 14.081 4.514 ( -0.639 12.977 -3.057) 13.347 4.726 ( -4.136 10.339 4.233) 11.913 4.842 ( -1.825 10.399 -6.722) 12.516 5.099 ( -1.281 7.307 4.651) 8.755 5.185 ( 2.810 6.944 -3.948) 8.468 5.394 ( -5.136 13.126 1.302) 14.155 5.445 ( -2.329 11.883 -3.095) 12.498 6.074 ( 0.001 -0.023 0.073) 0.077 6.104 ( -0.981 -0.099 -2.739) 2.911 6.160 ( 3.816 -2.805 3.245) 5.741 6.230 ( 4.776 -1.771 -3.026) 5.924 6.363 ( 2.584 -0.456 3.452) 4.336 6.426 ( -0.062 -1.132 -1.801) 2.129 6.538 ( -3.075 -1.273 7.112) 7.853 6.661 ( -3.762 -3.555 -4.572) 6.906 6.979 ( -1.401 3.092 0.565) 3.442 6.991 ( -1.148 2.985 -0.498) 3.237 7.112 ( -1.606 0.131 1.283) 2.059 7.121 ( -0.738 -0.422 0.633) 1.060 7.230 ( 0.935 -0.283 1.611) 1.884 7.249 ( 1.137 2.823 -1.227) 3.281 7.303 ( 5.038 -0.986 0.797) 5.195 7.337 ( 4.341 -0.062 -1.794) 4.698 7.457 ( -1.459 2.386 3.814) 4.729 7.514 ( -1.232 1.580 -1.687) 2.619 7.630 ( 0.937 -5.232 4.384) 6.890 7.696 ( 1.890 -1.971 -1.130) 2.955 7.784 ( 0.648 2.709 -1.208) 3.036 7.806 ( 3.275 -0.537 -4.082) 5.261 8.195 ( -9.983 -1.176 2.825) 10.441 8.266 ( -8.462 -2.683 -4.002) 9.738 8.942 ( 5.866 -4.030 8.118) 10.796 9.087 ( 4.480 -5.200 -5.102) 8.552 9.278 ( -1.464 -4.617 2.443) 5.425 9.364 ( -2.990 -4.163 -4.887) 7.082 9.627 ( 2.199 12.673 0.577) 12.876 9.664 ( 4.314 11.486 -3.083) 12.651 9.963 ( -4.012 -1.747 3.367) 5.521 10.034 ( -4.080 -6.765 -3.682) 8.716 17.568 ( 0.743 0.913 0.222) 1.198 17.573 ( 0.758 0.775 -0.246) 1.112 17.637 ( -0.753 1.188 0.362) 1.452 17.645 ( -0.842 0.826 -0.497) 1.280 17.899 ( 0.075 -0.034 0.395) 0.404 17.905 ( -0.059 -0.268 0.077) 0.285 17.913 ( 0.257 -0.655 0.241) 0.744 17.924 ( -0.042 -1.088 -0.638) 1.262 31.340 ( -0.393 0.536 -0.052) 0.666 31.343 ( -0.552 0.507 -0.357) 0.830 31.390 ( 0.880 -0.672 0.371) 1.168 31.393 ( 0.699 -0.721 0.004) 1.004 50.707 ( -0.484 -2.022 3.030) 3.675 50.744 ( -2.135 -3.669 0.594) 4.286 50.866 ( 2.469 -8.411 2.674) 9.164 50.958 ( -0.433 -12.339 -5.158) 13.381 ======================= Grid point 157 (60/63) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 5.115 6.376 7.280) 10.946 2.305 ( 0.808 6.328 3.757) 7.404 2.397 ( -0.406 4.156 -0.755) 4.244 2.430 ( -2.639 5.179 -1.556) 6.018 2.771 ( -2.977 8.071 4.465) 9.692 2.778 ( -3.673 11.971 4.002) 13.146 2.994 ( 1.053 10.166 -4.325) 11.098 3.044 ( -4.168 7.722 -7.990) 11.867 3.311 ( 2.599 3.792 -1.301) 4.778 3.339 ( -0.010 4.118 -3.281) 5.265 3.462 ( 0.327 -5.601 0.326) 5.620 3.477 ( -0.841 -3.735 -1.144) 3.995 3.924 ( 2.905 -1.922 4.041) 5.335 3.940 ( 2.366 -2.546 2.799) 4.463 4.172 ( 7.400 -6.442 4.303) 10.713 4.263 ( 0.100 -8.497 -3.607) 9.231 4.493 ( 4.708 8.526 2.721) 10.113 4.524 ( 3.821 8.469 0.123) 9.292 4.625 ( -5.913 7.282 3.525) 10.021 4.702 ( -10.269 4.552 -2.685) 11.549 5.133 ( 4.325 15.611 4.053) 16.698 5.229 ( -2.362 14.218 -3.828) 14.912 5.308 ( 0.636 10.337 0.432) 10.365 5.379 ( -3.911 10.141 -5.015) 11.970 6.082 ( 0.504 0.876 -0.997) 1.420 6.091 ( -0.411 0.716 -1.906) 2.077 6.258 ( 5.303 -4.204 4.185) 7.957 6.320 ( 1.985 -3.868 -0.658) 4.397 6.416 ( -0.249 -1.849 2.790) 3.356 6.425 ( 3.122 -1.910 0.864) 3.760 6.464 ( -2.658 -1.187 2.619) 3.916 6.547 ( -6.650 -3.940 -3.670) 8.557 6.971 ( 0.491 3.574 -0.171) 3.611 6.979 ( -0.102 3.453 -0.919) 3.574 7.079 ( -0.838 2.195 0.194) 2.357 7.095 ( -1.860 1.491 -1.177) 2.659 7.263 ( 2.136 2.557 1.472) 3.643 7.282 ( 1.297 4.203 -0.500) 4.427 7.376 ( 0.743 1.731 2.809) 3.382 7.407 ( -0.030 2.188 -0.250) 2.202 7.472 ( 2.536 1.900 0.230) 3.177 7.485 ( 1.045 1.587 -0.612) 1.996 7.685 ( 3.871 -6.931 3.394) 8.633 7.731 ( 0.347 -3.074 -0.708) 3.174 7.796 ( 1.764 2.128 1.658) 3.224 7.873 ( 0.941 -2.482 -5.203) 5.841 7.990 ( -6.272 -3.329 2.450) 7.512 8.073 ( -8.885 -4.810 -5.187) 11.357 9.073 ( 5.933 -3.937 5.117) 8.768 9.144 ( -0.037 -3.551 -1.684) 3.930 9.253 ( -0.061 -4.327 2.455) 4.975 9.294 ( -3.414 -2.512 -1.916) 4.651 9.705 ( 5.184 7.258 1.633) 9.068 9.761 ( 3.615 3.818 -2.963) 6.036 9.866 ( -3.705 3.755 0.538) 5.303 9.926 ( -5.967 -0.800 -4.597) 7.575 17.588 ( 1.130 1.109 0.212) 1.597 17.593 ( 1.074 0.983 -0.277) 1.482 17.617 ( -1.033 1.076 0.291) 1.519 17.623 ( -1.222 0.872 -0.335) 1.538 17.901 ( 0.110 -0.151 0.424) 0.463 17.903 ( -0.092 -0.248 0.345) 0.435 17.919 ( 0.255 -0.835 -0.224) 0.901 17.923 ( -0.137 -1.000 -0.492) 1.123 31.334 ( -0.142 0.973 -0.270) 1.019 31.335 ( -0.225 0.956 -0.353) 1.044 31.404 ( 0.427 -1.174 0.421) 1.318 31.405 ( 0.331 -1.192 0.325) 1.279 50.700 ( -0.061 -2.461 2.353) 3.405 50.710 ( -1.102 -3.019 1.741) 3.656 50.912 ( 1.910 -10.101 -0.235) 10.283 50.943 ( -1.109 -11.509 -2.892) 11.919 ======================= Grid point 160 (61/63) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.000 3.679 -0.519) 3.715 2.255 ( 0.000 1.274 -2.469) 2.778 2.664 ( 0.000 7.256 5.686) 9.218 2.687 ( 0.000 6.091 2.827) 6.715 2.950 ( 0.000 0.165 2.414) 2.419 2.954 ( 0.000 -1.867 3.167) 3.676 3.142 ( 0.000 -2.688 -2.799) 3.881 3.149 ( 0.000 -2.527 -4.087) 4.805 3.321 ( 0.000 11.531 3.220) 11.972 3.410 ( 0.000 8.706 -4.563) 9.830 3.484 ( 0.000 -2.404 0.210) 2.413 3.515 ( 0.000 1.679 -2.624) 3.116 3.698 ( 0.000 -3.454 5.048) 6.116 3.757 ( 0.000 -5.356 1.012) 5.451 3.792 ( 0.000 -4.583 2.969) 5.461 3.856 ( 0.000 -8.429 -0.863) 8.473 4.697 ( 0.000 4.907 1.618) 5.167 4.702 ( 0.000 4.380 0.909) 4.473 4.971 ( 0.000 5.919 -2.808) 6.551 5.010 ( 0.000 3.076 -6.665) 7.341 5.206 ( 0.000 3.406 1.424) 3.691 5.223 ( 0.000 2.758 -0.839) 2.882 5.628 ( 0.000 4.460 1.524) 4.714 5.635 ( 0.000 3.912 1.063) 4.053 6.060 ( 0.000 -0.401 1.405) 1.461 6.070 ( 0.000 -1.329 1.175) 1.774 6.145 ( 0.000 0.041 -4.965) 4.965 6.145 ( 0.000 0.003 -4.215) 4.215 6.375 ( 0.000 3.198 5.737) 6.569 6.426 ( 0.000 -1.001 2.364) 2.567 6.558 ( 0.000 0.843 2.325) 2.473 6.619 ( 0.000 -4.463 -2.314) 5.027 7.043 ( 0.000 1.648 0.565) 1.742 7.049 ( 0.000 1.161 -0.075) 1.163 7.113 ( 0.000 0.600 1.069) 1.226 7.122 ( 0.000 -1.172 0.538) 1.290 7.145 ( 0.000 -1.058 3.082) 3.258 7.177 ( 0.000 -3.018 -0.029) 3.018 7.291 ( 0.000 0.677 -1.799) 1.922 7.296 ( 0.000 0.091 -2.391) 2.393 7.510 ( 0.000 1.514 1.667) 2.252 7.523 ( 0.000 0.181 -0.095) 0.204 7.595 ( 0.000 -0.453 1.052) 1.146 7.619 ( 0.000 -2.736 -1.833) 3.294 7.835 ( 0.000 2.901 0.047) 2.902 7.836 ( 0.000 2.493 0.020) 2.493 8.276 ( 0.000 -3.172 1.023) 3.333 8.278 ( 0.000 -2.872 0.387) 2.898 8.886 ( 0.000 3.116 3.885) 4.981 8.948 ( 0.000 -2.549 -0.973) 2.729 9.230 ( 0.000 -0.847 -2.232) 2.388 9.279 ( 0.000 -5.131 -5.867) 7.794 9.798 ( 0.000 6.444 3.995) 7.582 9.870 ( 0.000 8.571 -3.280) 9.177 9.919 ( 0.000 -6.736 1.873) 6.991 9.963 ( 0.000 -1.838 -2.496) 3.100 17.572 ( 0.000 0.356 0.077) 0.364 17.574 ( 0.000 0.192 -0.084) 0.210 17.661 ( 0.000 0.475 0.097) 0.485 17.664 ( 0.000 0.185 -0.174) 0.254 17.900 ( 0.000 0.152 0.118) 0.192 17.902 ( 0.000 -0.121 -0.115) 0.167 17.902 ( 0.000 -0.120 0.277) 0.302 17.908 ( 0.000 -0.598 -0.228) 0.640 31.349 ( 0.000 0.193 0.079) 0.209 31.352 ( 0.000 -0.035 -0.144) 0.149 31.377 ( 0.000 0.090 0.115) 0.146 31.380 ( 0.000 -0.161 -0.136) 0.211 50.700 ( 0.000 0.815 1.421) 1.639 50.725 ( 0.000 -1.624 -1.104) 1.964 50.732 ( 0.000 -1.915 2.214) 2.928 50.774 ( 0.000 -6.251 -1.878) 6.527 ======================= Grid point 161 (62/63) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 2.439 3.321 0.628) 4.168 2.284 ( 2.718 0.460 -1.864) 3.328 2.594 ( -6.127 4.607 5.118) 9.217 2.612 ( -6.117 3.383 2.767) 7.518 2.934 ( 0.598 5.480 5.529) 7.808 3.024 ( 2.216 2.607 -2.038) 3.983 3.109 ( -1.767 -3.115 -0.215) 3.588 3.132 ( -1.343 -0.808 -3.681) 4.000 3.336 ( 1.370 7.250 1.180) 7.472 3.402 ( -0.717 6.351 -3.784) 7.427 3.455 ( -1.982 -2.219 -0.989) 3.135 3.475 ( -2.740 0.626 -2.987) 4.101 3.780 ( 6.673 -2.436 3.786) 8.050 3.805 ( 4.857 -3.941 4.146) 7.504 3.862 ( 5.566 -3.323 2.883) 7.094 3.939 ( 6.582 -9.265 -1.846) 11.514 4.657 ( -2.669 5.108 1.296) 5.907 4.675 ( -2.395 3.368 -0.429) 4.155 4.887 ( -6.560 5.661 1.047) 8.728 4.943 ( -6.957 0.397 -4.162) 8.117 5.259 ( 4.926 6.435 0.784) 8.142 5.295 ( 5.317 2.766 -2.878) 6.648 5.579 ( -4.189 5.291 1.644) 6.946 5.600 ( -3.355 3.352 -0.154) 4.745 6.077 ( 1.510 0.454 0.463) 1.643 6.096 ( 2.178 -1.377 0.391) 2.606 6.139 ( 0.620 1.575 -2.190) 2.768 6.185 ( 2.451 -2.531 -4.774) 5.933 6.379 ( 0.427 1.538 4.481) 4.757 6.409 ( -1.321 -1.203 2.656) 3.201 6.531 ( -2.583 1.065 2.244) 3.583 6.583 ( -3.499 -3.788 -1.883) 5.490 7.039 ( -0.044 2.515 0.395) 2.546 7.048 ( -0.012 2.061 -0.445) 2.108 7.115 ( 0.108 0.060 0.575) 0.588 7.119 ( -0.465 0.109 0.363) 0.600 7.213 ( 4.871 -0.642 3.319) 5.929 7.237 ( 6.619 -2.872 1.061) 7.292 7.311 ( 2.014 1.549 -1.342) 2.873 7.332 ( 3.621 -0.604 -2.461) 4.419 7.499 ( -1.376 2.053 3.138) 3.995 7.539 ( 1.159 -0.890 0.802) 1.667 7.564 ( -2.683 0.401 0.082) 2.714 7.619 ( 0.658 -4.003 -3.583) 5.413 7.835 ( -0.235 1.949 0.118) 1.966 7.838 ( 0.232 1.725 -0.410) 1.789 8.166 ( -8.842 -0.722 0.619) 8.893 8.196 ( -8.586 -3.450 -2.231) 9.519 8.927 ( 4.319 2.161 5.953) 7.666 8.998 ( 4.012 -4.190 0.358) 5.812 9.219 ( -1.308 -0.428 -1.892) 2.340 9.265 ( -1.580 -4.487 -4.975) 6.883 9.803 ( 0.693 6.004 3.354) 6.912 9.872 ( 0.108 7.421 -3.417) 8.170 9.910 ( -0.688 -5.261 1.089) 5.417 9.950 ( -1.259 -1.134 -2.729) 3.213 17.581 ( 0.847 0.387 0.079) 0.934 17.583 ( 0.852 0.219 -0.087) 0.884 17.653 ( -0.756 0.477 0.095) 0.899 17.656 ( -0.773 0.212 -0.155) 0.817 17.900 ( 0.019 0.154 0.136) 0.206 17.901 ( -0.025 -0.018 0.108) 0.113 17.904 ( 0.098 -0.276 0.013) 0.293 17.908 ( -0.009 -0.594 -0.213) 0.632 31.352 ( 0.217 0.527 0.037) 0.571 31.354 ( 0.173 0.401 -0.148) 0.461 31.379 ( 0.132 -0.349 0.139) 0.399 31.381 ( 0.082 -0.491 -0.067) 0.502 50.695 ( -0.434 1.083 1.228) 1.694 50.707 ( -1.011 0.072 0.427) 1.100 50.746 ( 0.648 -3.870 0.504) 3.956 50.772 ( -0.249 -6.401 -1.544) 6.589 ======================= Grid point 162 (63/63) ======================= q-point: ( 0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 4.694 2.816 2.910) 6.199 2.360 ( 4.485 -0.005 0.148) 4.488 2.455 ( -6.545 2.243 4.082) 8.033 2.480 ( -6.302 0.162 1.474) 6.474 2.956 ( 1.630 9.663 3.394) 10.371 3.002 ( -2.640 9.492 -0.544) 9.868 3.105 ( 0.198 -3.323 -1.051) 3.490 3.113 ( -0.463 -0.254 -2.274) 2.335 3.373 ( 2.125 2.860 -1.057) 3.716 3.399 ( 0.741 1.654 -2.501) 3.089 3.416 ( -1.972 0.736 -1.843) 2.798 3.427 ( -1.891 -0.830 -2.915) 3.572 3.894 ( 4.417 0.480 4.046) 6.009 3.920 ( 2.694 1.632 1.361) 3.432 3.992 ( 6.678 -8.537 3.905) 11.521 4.047 ( 2.239 -10.189 -1.038) 10.483 4.633 ( 1.429 4.475 1.345) 4.887 4.650 ( 1.233 3.035 -0.350) 3.295 4.737 ( -7.191 3.676 2.068) 8.337 4.766 ( -8.748 0.979 -0.608) 8.824 5.369 ( 5.432 7.260 0.412) 9.077 5.408 ( 5.250 3.373 -3.184) 7.005 5.480 ( -5.031 6.115 1.261) 8.019 5.514 ( -4.701 2.826 -1.876) 5.797 6.111 ( 1.545 2.189 -0.726) 2.776 6.127 ( 0.257 2.727 -2.232) 3.533 6.177 ( 2.837 -3.381 1.280) 4.595 6.217 ( -0.207 -5.248 -2.400) 5.774 6.399 ( 1.905 0.043 2.554) 3.186 6.407 ( 2.073 -0.698 1.455) 2.627 6.462 ( -3.774 0.761 1.906) 4.296 6.489 ( -5.135 -1.996 -0.707) 5.554 7.048 ( 0.764 3.629 0.144) 3.711 7.053 ( 0.395 3.367 -0.327) 3.406 7.104 ( -0.636 -0.087 -0.029) 0.643 7.108 ( -0.719 -0.551 -0.289) 0.951 7.314 ( 4.272 2.765 3.834) 6.371 7.365 ( 2.006 2.529 0.240) 3.237 7.376 ( 3.269 -0.894 3.781) 5.077 7.418 ( 2.549 -0.645 0.526) 2.681 7.493 ( 0.392 -0.048 0.332) 0.516 7.514 ( 2.239 1.017 -1.577) 2.921 7.562 ( 1.192 -2.186 0.187) 2.496 7.632 ( -1.040 -5.541 -4.374) 7.136 7.835 ( 1.211 1.603 0.261) 2.026 7.856 ( 2.271 -0.489 -1.981) 3.053 7.957 ( -9.821 0.059 -0.033) 9.821 7.989 ( -9.664 -3.166 -3.077) 10.625 9.041 ( 6.039 0.914 4.551) 7.617 9.091 ( 4.249 -2.735 0.452) 5.073 9.167 ( -3.269 -1.793 1.686) 4.092 9.207 ( -4.070 -4.531 -1.519) 6.277 9.832 ( 1.994 5.003 0.700) 5.432 9.866 ( -0.915 4.837 -2.523) 5.532 9.901 ( -0.009 -1.625 -1.119) 1.973 9.917 ( -1.594 -0.053 -2.591) 3.042 17.604 ( 1.315 0.469 0.080) 1.398 17.606 ( 1.321 0.290 -0.100) 1.356 17.632 ( -1.254 0.442 0.092) 1.333 17.634 ( -1.277 0.229 -0.117) 1.303 17.900 ( 0.028 0.127 0.155) 0.202 17.901 ( -0.022 0.064 0.147) 0.162 17.906 ( 0.082 -0.444 -0.099) 0.463 17.907 ( -0.037 -0.555 -0.171) 0.582 31.356 ( 0.151 1.156 -0.063) 1.167 31.357 ( 0.088 1.147 -0.137) 1.159 31.382 ( 0.102 -1.100 0.159) 1.116 31.382 ( 0.033 -1.113 0.078) 1.116 50.687 ( -0.186 1.427 0.898) 1.696 50.690 ( -0.522 1.180 0.659) 1.448 50.757 ( 0.440 -5.565 -0.151) 5.584 50.765 ( -0.380 -6.383 -0.851) 6.451 =================== 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 3/23400 10.0 307.136 316.039 183.461 0.000 0.000 -0.000 3/23400 20.0 111.968 205.478 99.277 0.000 0.000 -0.000 3/23400 30.0 55.873 115.435 51.505 0.000 0.000 -0.000 3/23400 40.0 34.428 73.020 30.939 0.000 0.000 -0.000 3/23400 50.0 23.434 49.792 20.472 0.000 0.000 -0.000 3/23400 60.0 17.047 36.104 14.562 0.000 0.000 -0.000 3/23400 70.0 13.077 27.592 10.984 0.000 0.000 -0.000 3/23400 80.0 10.473 22.020 8.684 0.000 0.000 -0.000 3/23400 90.0 8.680 18.192 7.127 0.000 0.000 -0.000 3/23400 100.0 7.392 15.447 6.022 0.000 0.000 -0.000 3/23400 110.0 6.431 13.403 5.207 0.000 0.000 -0.000 3/23400 120.0 5.692 11.833 4.585 0.000 0.000 -0.000 3/23400 130.0 5.107 10.594 4.097 0.000 0.000 -0.000 3/23400 140.0 4.634 9.593 3.705 0.000 0.000 -0.000 3/23400 150.0 4.244 8.769 3.383 0.000 0.000 -0.000 3/23400 160.0 3.917 8.080 3.115 0.000 0.000 -0.000 3/23400 170.0 3.639 7.494 2.889 0.000 0.000 -0.000 3/23400 180.0 3.399 6.990 2.694 0.000 0.000 -0.000 3/23400 190.0 3.190 6.552 2.526 0.000 0.000 -0.000 3/23400 200.0 3.007 6.168 2.379 0.000 0.000 -0.000 3/23400 210.0 2.845 5.828 2.249 0.000 0.000 -0.000 3/23400 220.0 2.700 5.525 2.134 0.000 0.000 -0.000 3/23400 230.0 2.570 5.253 2.032 0.000 0.000 -0.000 3/23400 240.0 2.453 5.008 1.939 0.000 0.000 -0.000 3/23400 250.0 2.347 4.786 1.856 0.000 0.000 -0.000 3/23400 260.0 2.250 4.583 1.780 0.000 0.000 -0.000 3/23400 270.0 2.161 4.397 1.711 0.000 0.000 -0.000 3/23400 280.0 2.079 4.227 1.647 0.000 0.000 -0.000 3/23400 290.0 2.004 4.070 1.589 0.000 0.000 -0.000 3/23400 300.0 1.934 3.924 1.535 0.000 0.000 -0.000 3/23400 310.0 1.870 3.789 1.486 0.000 0.000 -0.000 3/23400 320.0 1.809 3.664 1.439 0.000 0.000 -0.000 3/23400 330.0 1.753 3.547 1.396 0.000 0.000 -0.000 3/23400 340.0 1.701 3.437 1.356 0.000 0.000 -0.000 3/23400 350.0 1.651 3.334 1.318 0.000 0.000 -0.000 3/23400 360.0 1.605 3.238 1.283 0.000 0.000 -0.000 3/23400 370.0 1.561 3.147 1.250 0.000 0.000 -0.000 3/23400 380.0 1.520 3.062 1.219 0.000 0.000 -0.000 3/23400 390.0 1.481 2.981 1.189 0.000 0.000 -0.000 3/23400 400.0 1.444 2.904 1.161 0.000 0.000 -0.000 3/23400 410.0 1.409 2.832 1.134 0.000 0.000 -0.000 3/23400 420.0 1.376 2.763 1.109 0.000 0.000 -0.000 3/23400 430.0 1.344 2.698 1.085 0.000 0.000 -0.000 3/23400 440.0 1.314 2.636 1.062 0.000 0.000 -0.000 3/23400 450.0 1.285 2.576 1.041 0.000 0.000 -0.000 3/23400 460.0 1.258 2.520 1.020 0.000 0.000 -0.000 3/23400 470.0 1.232 2.466 1.000 0.000 0.000 -0.000 3/23400 480.0 1.207 2.414 0.981 0.000 0.000 -0.000 3/23400 490.0 1.183 2.365 0.963 0.000 0.000 -0.000 3/23400 500.0 1.160 2.318 0.945 0.000 0.000 -0.000 3/23400 510.0 1.138 2.273 0.928 0.000 0.000 -0.000 3/23400 520.0 1.116 2.229 0.912 0.000 0.000 -0.000 3/23400 530.0 1.096 2.187 0.897 0.000 0.000 -0.000 3/23400 540.0 1.076 2.147 0.882 0.000 0.000 -0.000 3/23400 550.0 1.058 2.109 0.867 0.000 0.000 -0.000 3/23400 560.0 1.039 2.072 0.854 0.000 0.000 -0.000 3/23400 570.0 1.022 2.036 0.840 0.000 0.000 -0.000 3/23400 580.0 1.005 2.001 0.827 0.000 0.000 -0.000 3/23400 590.0 0.989 1.968 0.815 0.000 0.000 -0.000 3/23400 600.0 0.973 1.936 0.803 0.000 0.000 -0.000 3/23400 610.0 0.957 1.905 0.791 0.000 0.000 -0.000 3/23400 620.0 0.943 1.875 0.780 0.000 0.000 -0.000 3/23400 630.0 0.928 1.846 0.769 0.000 0.000 -0.000 3/23400 640.0 0.915 1.818 0.758 0.000 0.000 -0.000 3/23400 650.0 0.901 1.791 0.748 0.000 0.000 -0.000 3/23400 660.0 0.888 1.765 0.738 0.000 0.000 -0.000 3/23400 670.0 0.875 1.739 0.728 0.000 0.000 -0.000 3/23400 680.0 0.863 1.714 0.718 0.000 0.000 -0.000 3/23400 690.0 0.851 1.690 0.709 0.000 0.000 -0.000 3/23400 700.0 0.840 1.667 0.700 0.000 0.000 -0.000 3/23400 710.0 0.829 1.644 0.691 0.000 0.000 -0.000 3/23400 720.0 0.818 1.622 0.683 0.000 0.000 -0.000 3/23400 730.0 0.807 1.601 0.675 0.000 0.000 -0.000 3/23400 740.0 0.797 1.580 0.667 0.000 0.000 -0.000 3/23400 750.0 0.787 1.560 0.659 0.000 0.000 -0.000 3/23400 760.0 0.777 1.540 0.651 0.000 0.000 -0.000 3/23400 770.0 0.767 1.521 0.644 0.000 0.000 -0.000 3/23400 780.0 0.758 1.503 0.637 0.000 0.000 -0.000 3/23400 790.0 0.749 1.485 0.630 0.000 0.000 -0.000 3/23400 800.0 0.740 1.467 0.623 0.000 0.000 -0.000 3/23400 810.0 0.731 1.450 0.616 0.000 0.000 -0.000 3/23400 820.0 0.723 1.433 0.609 0.000 0.000 -0.000 3/23400 830.0 0.715 1.416 0.603 0.000 0.000 -0.000 3/23400 840.0 0.707 1.400 0.597 0.000 0.000 -0.000 3/23400 850.0 0.699 1.385 0.591 0.000 0.000 -0.000 3/23400 860.0 0.691 1.370 0.585 0.000 0.000 -0.000 3/23400 870.0 0.684 1.355 0.579 0.000 0.000 -0.000 3/23400 880.0 0.677 1.340 0.573 0.000 0.000 -0.000 3/23400 890.0 0.670 1.326 0.567 0.000 0.000 -0.000 3/23400 900.0 0.663 1.312 0.562 0.000 0.000 -0.000 3/23400 910.0 0.656 1.298 0.557 0.000 0.000 -0.000 3/23400 920.0 0.649 1.285 0.551 0.000 0.000 -0.000 3/23400 930.0 0.643 1.272 0.546 0.000 0.000 -0.000 3/23400 940.0 0.636 1.259 0.541 0.000 0.000 -0.000 3/23400 950.0 0.630 1.247 0.536 0.000 0.000 -0.000 3/23400 960.0 0.624 1.235 0.531 0.000 0.000 -0.000 3/23400 970.0 0.618 1.223 0.527 0.000 0.000 -0.000 3/23400 980.0 0.612 1.211 0.522 0.000 0.000 -0.000 3/23400 990.0 0.606 1.200 0.517 0.000 0.000 -0.000 3/23400 1000.0 0.600 1.188 0.513 0.000 0.000 -0.000 3/23400 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:42:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|