----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:31:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.555085900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.291350110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.163456129999999 Atomic positions (fractional): *1 B 0.30789740717326 0.32841599435619 0.12732671056632 10.811 2 B 0.69210259282674 0.32841599435619 0.37267328943368 10.811 3 B 0.19210259282674 0.17158400564381 0.62732671056632 10.811 4 B 0.80789740717326 0.17158400564381 0.87267328943368 10.811 5 B 0.19210259282674 0.82841599435619 0.12732671056632 10.811 6 B 0.80789740717326 0.82841599435619 0.37267328943368 10.811 7 B 0.30789740717326 0.67158400564381 0.62732671056632 10.811 8 B 0.69210259282674 0.67158400564381 0.87267328943368 10.811 *9 O 0.79277697200492 0.84785026624020 0.84873607523885 15.999 10 O 0.20722302799508 0.84785026624020 0.65126392476115 15.999 11 O 0.70722302799508 0.65214973375980 0.34873607523886 15.999 12 O 0.29277697200492 0.65214973375980 0.15126392476115 15.999 *13 O 0.08525925346124 0.72633572926419 0.09029407965837 15.999 14 O 0.91474074653876 0.72633572926419 0.40970592034163 15.999 15 O 0.41474074653875 0.77366427073581 0.59029407965837 15.999 16 O 0.58525925346124 0.77366427073581 0.90970592034163 15.999 17 O 0.91474074653876 0.27366427073581 0.90970592034163 15.999 18 O 0.08525925346124 0.27366427073581 0.59029407965837 15.999 19 O 0.58525925346124 0.22633572926419 0.40970592034163 15.999 20 O 0.41474074653875 0.22633572926419 0.09029407965837 15.999 21 O 0.20722302799508 0.15214973375980 0.15126392476115 15.999 22 O 0.79277697200492 0.15214973375980 0.34873607523886 15.999 23 O 0.29277697200492 0.34785026624020 0.65126392476115 15.999 24 O 0.70722302799508 0.34785026624020 0.84873607523885 15.999 *25 Ca 0.50000000000000 0.77698161393951 0.25000000000000 40.078 26 Ca 0.00000000000000 0.72301838606049 0.75000000000000 40.078 27 Ca 0.50000000000000 0.22301838606049 0.75000000000000 40.078 28 Ca 0.00000000000000 0.27698161393951 0.25000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.555085900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.291350110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.163456129999999 Atomic positions (fractional): *1 B 0.30789740717326 0.32841599435619 0.12732671056632 10.811 > 1 2 B 0.69210259282674 0.32841599435619 0.37267328943368 10.811 > 2 3 B 0.19210259282674 0.17158400564381 0.62732671056632 10.811 > 3 4 B 0.80789740717326 0.17158400564381 0.87267328943368 10.811 > 4 5 B 0.19210259282674 0.82841599435619 0.12732671056632 10.811 > 5 6 B 0.80789740717326 0.82841599435619 0.37267328943368 10.811 > 6 7 B 0.30789740717326 0.67158400564381 0.62732671056632 10.811 > 7 8 B 0.69210259282674 0.67158400564381 0.87267328943368 10.811 > 8 *9 O 0.79277697200492 0.84785026624020 0.84873607523885 15.999 > 9 10 O 0.20722302799508 0.84785026624020 0.65126392476115 15.999 > 10 11 O 0.70722302799508 0.65214973375980 0.34873607523886 15.999 > 11 12 O 0.29277697200492 0.65214973375980 0.15126392476115 15.999 > 12 *13 O 0.08525925346124 0.72633572926419 0.09029407965837 15.999 > 13 14 O 0.91474074653876 0.72633572926419 0.40970592034163 15.999 > 14 15 O 0.41474074653875 0.77366427073581 0.59029407965837 15.999 > 15 16 O 0.58525925346124 0.77366427073581 0.90970592034163 15.999 > 16 17 O 0.91474074653876 0.27366427073581 0.90970592034163 15.999 > 17 18 O 0.08525925346124 0.27366427073581 0.59029407965837 15.999 > 18 19 O 0.58525925346124 0.22633572926419 0.40970592034163 15.999 > 19 20 O 0.41474074653875 0.22633572926419 0.09029407965837 15.999 > 20 21 O 0.20722302799508 0.15214973375980 0.15126392476115 15.999 > 21 22 O 0.79277697200492 0.15214973375980 0.34873607523886 15.999 > 22 23 O 0.29277697200492 0.34785026624020 0.65126392476115 15.999 > 23 24 O 0.70722302799508 0.34785026624020 0.84873607523885 15.999 > 24 *25 Ca 0.50000000000000 0.77698161393951 0.25000000000000 40.078 > 25 26 Ca 0.00000000000000 0.72301838606049 0.75000000000000 40.078 > 26 27 Ca 0.50000000000000 0.22301838606049 0.75000000000000 40.078 > 27 28 Ca 0.00000000000000 0.27698161393951 0.25000000000000 40.078 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.555085900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.582700220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.326912259999999 Atomic positions (fractional): *1 B 0.30789740717326 0.16420799717809 0.06366335528316 10.811 > 1 2 B 0.30789740717326 0.66420799717809 0.06366335528316 10.811 > 1 3 B 0.30789740717326 0.16420799717809 0.56366335528316 10.811 > 1 4 B 0.30789740717326 0.66420799717809 0.56366335528316 10.811 > 1 5 B 0.69210259282674 0.16420799717809 0.18633664471684 10.811 > 2 6 B 0.69210259282674 0.66420799717809 0.18633664471684 10.811 > 2 7 B 0.69210259282674 0.16420799717809 0.68633664471684 10.811 > 2 8 B 0.69210259282674 0.66420799717809 0.68633664471684 10.811 > 2 9 B 0.19210259282674 0.08579200282191 0.31366335528316 10.811 > 3 10 B 0.19210259282674 0.58579200282191 0.31366335528316 10.811 > 3 11 B 0.19210259282674 0.08579200282191 0.81366335528316 10.811 > 3 12 B 0.19210259282674 0.58579200282191 0.81366335528316 10.811 > 3 13 B 0.80789740717326 0.08579200282191 0.43633664471684 10.811 > 4 14 B 0.80789740717326 0.58579200282191 0.43633664471684 10.811 > 4 15 B 0.80789740717326 0.08579200282191 0.93633664471684 10.811 > 4 16 B 0.80789740717326 0.58579200282191 0.93633664471684 10.811 > 4 17 B 0.19210259282674 0.41420799717809 0.06366335528316 10.811 > 5 18 B 0.19210259282674 0.91420799717809 0.06366335528316 10.811 > 5 19 B 0.19210259282674 0.41420799717809 0.56366335528316 10.811 > 5 20 B 0.19210259282674 0.91420799717809 0.56366335528316 10.811 > 5 21 B 0.80789740717326 0.41420799717809 0.18633664471684 10.811 > 6 22 B 0.80789740717326 0.91420799717809 0.18633664471684 10.811 > 6 23 B 0.80789740717326 0.41420799717809 0.68633664471684 10.811 > 6 24 B 0.80789740717326 0.91420799717809 0.68633664471684 10.811 > 6 25 B 0.30789740717326 0.33579200282191 0.31366335528316 10.811 > 7 26 B 0.30789740717326 0.83579200282191 0.31366335528316 10.811 > 7 27 B 0.30789740717326 0.33579200282191 0.81366335528316 10.811 > 7 28 B 0.30789740717326 0.83579200282191 0.81366335528316 10.811 > 7 29 B 0.69210259282674 0.33579200282191 0.43633664471684 10.811 > 8 30 B 0.69210259282674 0.83579200282191 0.43633664471684 10.811 > 8 31 B 0.69210259282674 0.33579200282191 0.93633664471684 10.811 > 8 32 B 0.69210259282674 0.83579200282191 0.93633664471684 10.811 > 8 *33 O 0.79277697200492 0.42392513312010 0.42436803761943 15.999 > 9 34 O 0.79277697200492 0.92392513312010 0.42436803761943 15.999 > 9 35 O 0.79277697200492 0.42392513312010 0.92436803761943 15.999 > 9 36 O 0.79277697200492 0.92392513312010 0.92436803761943 15.999 > 9 37 O 0.20722302799508 0.42392513312010 0.32563196238057 15.999 > 10 38 O 0.20722302799508 0.92392513312010 0.32563196238057 15.999 > 10 39 O 0.20722302799508 0.42392513312010 0.82563196238057 15.999 > 10 40 O 0.20722302799508 0.92392513312010 0.82563196238057 15.999 > 10 41 O 0.70722302799508 0.32607486687990 0.17436803761943 15.999 > 11 42 O 0.70722302799508 0.82607486687990 0.17436803761943 15.999 > 11 43 O 0.70722302799508 0.32607486687990 0.67436803761943 15.999 > 11 44 O 0.70722302799508 0.82607486687990 0.67436803761943 15.999 > 11 45 O 0.29277697200492 0.32607486687990 0.07563196238057 15.999 > 12 46 O 0.29277697200492 0.82607486687990 0.07563196238057 15.999 > 12 47 O 0.29277697200492 0.32607486687990 0.57563196238057 15.999 > 12 48 O 0.29277697200492 0.82607486687990 0.57563196238057 15.999 > 12 *49 O 0.08525925346124 0.36316786463210 0.04514703982918 15.999 > 13 50 O 0.08525925346124 0.86316786463210 0.04514703982918 15.999 > 13 51 O 0.08525925346124 0.36316786463210 0.54514703982918 15.999 > 13 52 O 0.08525925346124 0.86316786463210 0.54514703982918 15.999 > 13 53 O 0.91474074653876 0.36316786463210 0.20485296017082 15.999 > 14 54 O 0.91474074653876 0.86316786463210 0.20485296017082 15.999 > 14 55 O 0.91474074653876 0.36316786463210 0.70485296017082 15.999 > 14 56 O 0.91474074653876 0.86316786463210 0.70485296017082 15.999 > 14 57 O 0.41474074653875 0.38683213536790 0.29514703982918 15.999 > 15 58 O 0.41474074653875 0.88683213536790 0.29514703982918 15.999 > 15 59 O 0.41474074653875 0.38683213536790 0.79514703982918 15.999 > 15 60 O 0.41474074653875 0.88683213536790 0.79514703982918 15.999 > 15 61 O 0.58525925346124 0.38683213536790 0.45485296017082 15.999 > 16 62 O 0.58525925346124 0.88683213536790 0.45485296017082 15.999 > 16 63 O 0.58525925346124 0.38683213536790 0.95485296017082 15.999 > 16 64 O 0.58525925346124 0.88683213536790 0.95485296017082 15.999 > 16 65 O 0.91474074653876 0.13683213536790 0.45485296017082 15.999 > 17 66 O 0.91474074653876 0.63683213536790 0.45485296017082 15.999 > 17 67 O 0.91474074653876 0.13683213536790 0.95485296017082 15.999 > 17 68 O 0.91474074653876 0.63683213536790 0.95485296017082 15.999 > 17 69 O 0.08525925346124 0.13683213536790 0.29514703982918 15.999 > 18 70 O 0.08525925346124 0.63683213536790 0.29514703982918 15.999 > 18 71 O 0.08525925346124 0.13683213536790 0.79514703982918 15.999 > 18 72 O 0.08525925346124 0.63683213536790 0.79514703982918 15.999 > 18 73 O 0.58525925346124 0.11316786463210 0.20485296017082 15.999 > 19 74 O 0.58525925346124 0.61316786463210 0.20485296017082 15.999 > 19 75 O 0.58525925346124 0.11316786463210 0.70485296017082 15.999 > 19 76 O 0.58525925346124 0.61316786463210 0.70485296017082 15.999 > 19 77 O 0.41474074653875 0.11316786463210 0.04514703982918 15.999 > 20 78 O 0.41474074653875 0.61316786463210 0.04514703982918 15.999 > 20 79 O 0.41474074653875 0.11316786463210 0.54514703982918 15.999 > 20 80 O 0.41474074653875 0.61316786463210 0.54514703982918 15.999 > 20 81 O 0.20722302799508 0.07607486687990 0.07563196238057 15.999 > 21 82 O 0.20722302799508 0.57607486687990 0.07563196238057 15.999 > 21 83 O 0.20722302799508 0.07607486687990 0.57563196238057 15.999 > 21 84 O 0.20722302799508 0.57607486687990 0.57563196238057 15.999 > 21 85 O 0.79277697200492 0.07607486687990 0.17436803761943 15.999 > 22 86 O 0.79277697200492 0.57607486687990 0.17436803761943 15.999 > 22 87 O 0.79277697200492 0.07607486687990 0.67436803761943 15.999 > 22 88 O 0.79277697200492 0.57607486687990 0.67436803761943 15.999 > 22 89 O 0.29277697200492 0.17392513312010 0.32563196238057 15.999 > 23 90 O 0.29277697200492 0.67392513312010 0.32563196238057 15.999 > 23 91 O 0.29277697200492 0.17392513312010 0.82563196238057 15.999 > 23 92 O 0.29277697200492 0.67392513312010 0.82563196238057 15.999 > 23 93 O 0.70722302799508 0.17392513312010 0.42436803761943 15.999 > 24 94 O 0.70722302799508 0.67392513312010 0.42436803761943 15.999 > 24 95 O 0.70722302799508 0.17392513312010 0.92436803761943 15.999 > 24 96 O 0.70722302799508 0.67392513312010 0.92436803761943 15.999 > 24 *97 Ca 0.50000000000000 0.38849080696976 0.12500000000000 40.078 > 25 98 Ca 0.50000000000000 0.88849080696976 0.12500000000000 40.078 > 25 99 Ca 0.50000000000000 0.38849080696976 0.62500000000000 40.078 > 25 100 Ca 0.50000000000000 0.88849080696976 0.62500000000000 40.078 > 25 101 Ca 0.00000000000000 0.36150919303024 0.37500000000000 40.078 > 26 102 Ca 0.00000000000000 0.86150919303024 0.37500000000000 40.078 > 26 103 Ca 0.00000000000000 0.36150919303024 0.87500000000000 40.078 > 26 104 Ca 0.00000000000000 0.86150919303024 0.87500000000000 40.078 > 26 105 Ca 0.50000000000000 0.11150919303024 0.37500000000000 40.078 > 27 106 Ca 0.50000000000000 0.61150919303024 0.37500000000000 40.078 > 27 107 Ca 0.50000000000000 0.11150919303024 0.87500000000000 40.078 > 27 108 Ca 0.50000000000000 0.61150919303024 0.87500000000000 40.078 > 27 109 Ca 0.00000000000000 0.13849080696976 0.12500000000000 40.078 > 28 110 Ca 0.00000000000000 0.63849080696976 0.12500000000000 40.078 > 28 111 Ca 0.00000000000000 0.13849080696976 0.62500000000000 40.078 > 28 112 Ca 0.00000000000000 0.63849080696976 0.62500000000000 40.078 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1209994 0.0000000 0.0000000 0.0000000 3.0159849 0.0000000 0.0000000 0.0000000 2.6205582 -------------------------- Born effective charges -------------------------- 1 B 2.7840844 -0.2647047 -0.3707098 0.2173751 2.7578982 0.1048909 -0.3377792 0.1155651 0.9402285 2 B 2.7840844 0.2647047 -0.3707098 -0.2173751 2.7578982 -0.1048909 -0.3377792 -0.1155651 0.9402285 3 B 2.7840844 -0.2647047 0.3707098 0.2173751 2.7578982 -0.1048909 0.3377792 -0.1155651 0.9402285 4 B 2.7840844 0.2647047 0.3707098 -0.2173751 2.7578982 0.1048909 0.3377792 0.1155651 0.9402285 5 B 2.7840844 0.2647047 0.3707098 -0.2173751 2.7578982 0.1048909 0.3377792 0.1155651 0.9402285 6 B 2.7840844 -0.2647047 0.3707098 0.2173751 2.7578982 -0.1048909 0.3377792 -0.1155651 0.9402285 7 B 2.7840844 0.2647047 -0.3707098 -0.2173751 2.7578982 -0.1048909 -0.3377792 -0.1155651 0.9402285 8 B 2.7840844 -0.2647047 -0.3707098 0.2173751 2.7578982 0.1048909 -0.3377792 0.1155651 0.9402285 9 O -1.8370453 -0.6794651 0.1204512 -0.6942400 -2.3660918 -0.0929226 0.1312725 -0.0768125 -0.7797915 10 O -1.8370453 0.6794651 0.1204512 0.6942400 -2.3660918 0.0929226 0.1312725 0.0768125 -0.7797915 11 O -1.8370453 -0.6794651 -0.1204512 -0.6942400 -2.3660918 0.0929226 -0.1312725 0.0768125 -0.7797915 12 O -1.8370453 0.6794651 -0.1204512 0.6942400 -2.3660918 -0.0929226 -0.1312725 -0.0768125 -0.7797915 13 O -2.2585297 -0.3972040 -0.2782934 -0.2918181 -1.5788223 0.0010552 -0.1908090 0.0008886 -1.3902891 14 O -2.2585297 0.3972040 -0.2782934 0.2918181 -1.5788223 -0.0010552 -0.1908090 -0.0008886 -1.3902891 15 O -2.2585297 -0.3972040 0.2782934 -0.2918181 -1.5788223 -0.0010552 0.1908090 -0.0008886 -1.3902891 16 O -2.2585297 0.3972040 0.2782934 0.2918181 -1.5788223 0.0010552 0.1908090 0.0008886 -1.3902891 17 O -2.2585297 -0.3972040 -0.2782934 -0.2918181 -1.5788223 0.0010552 -0.1908090 0.0008886 -1.3902891 18 O -2.2585297 0.3972040 -0.2782934 0.2918181 -1.5788223 -0.0010552 -0.1908090 -0.0008886 -1.3902891 19 O -2.2585297 -0.3972040 0.2782934 -0.2918181 -1.5788223 -0.0010552 0.1908090 -0.0008886 -1.3902891 20 O -2.2585297 0.3972040 0.2782934 0.2918181 -1.5788223 0.0010552 0.1908090 0.0008886 -1.3902891 21 O -1.8370453 -0.6794651 0.1204512 -0.6942400 -2.3660918 -0.0929226 0.1312725 -0.0768125 -0.7797915 22 O -1.8370453 0.6794651 0.1204512 0.6942400 -2.3660918 0.0929226 0.1312725 0.0768125 -0.7797915 23 O -1.8370453 -0.6794651 -0.1204512 -0.6942400 -2.3660918 0.0929226 -0.1312725 0.0768125 -0.7797915 24 O -1.8370453 0.6794651 -0.1204512 0.6942400 -2.3660918 -0.0929226 -0.1312725 -0.0768125 -0.7797915 25 Ca 2.6229813 0.0000000 -0.0717185 0.0000000 2.3740318 0.0000000 0.0805792 0.0000000 2.4597041 26 Ca 2.6229813 0.0000000 0.0717185 0.0000000 2.3740318 0.0000000 -0.0805792 0.0000000 2.4597041 27 Ca 2.6229813 0.0000000 -0.0717185 0.0000000 2.3740318 0.0000000 0.0805792 0.0000000 2.4597041 28 Ca 2.6229813 0.0000000 0.0717185 0.0000000 2.3740318 0.0000000 -0.0805792 0.0000000 2.4597041 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1818), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.436 Solver_block: 200 / 480 - Time: 0.417 Solver_block: 300 / 480 - Time: 0.415 Solver_block: 400 / 480 - Time: 0.412 Solver_block: 480 / 480 - Time: 0.375 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.094 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1850 Number of blocks in projector: 1850 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1850, 1818), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (388, 382), data: True |-- (388, 382), data: True |-- (396, 388), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:31:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:31:38]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.555085900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.291350110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.163456129999999 Atomic positions (fractional): 1 B 0.30789740717326 0.32841599435619 0.12732671056632 10.811 2 B 0.69210259282674 0.32841599435619 0.37267328943368 10.811 3 B 0.19210259282674 0.17158400564381 0.62732671056632 10.811 4 B 0.80789740717326 0.17158400564381 0.87267328943368 10.811 5 B 0.19210259282674 0.82841599435619 0.12732671056632 10.811 6 B 0.80789740717326 0.82841599435619 0.37267328943368 10.811 7 B 0.30789740717326 0.67158400564381 0.62732671056632 10.811 8 B 0.69210259282674 0.67158400564381 0.87267328943368 10.811 9 O 0.79277697200492 0.84785026624020 0.84873607523885 15.999 10 O 0.20722302799508 0.84785026624020 0.65126392476115 15.999 11 O 0.70722302799508 0.65214973375980 0.34873607523886 15.999 12 O 0.29277697200492 0.65214973375980 0.15126392476115 15.999 13 O 0.08525925346124 0.72633572926419 0.09029407965837 15.999 14 O 0.91474074653876 0.72633572926419 0.40970592034163 15.999 15 O 0.41474074653875 0.77366427073581 0.59029407965837 15.999 16 O 0.58525925346124 0.77366427073581 0.90970592034163 15.999 17 O 0.91474074653876 0.27366427073581 0.90970592034163 15.999 18 O 0.08525925346124 0.27366427073581 0.59029407965837 15.999 19 O 0.58525925346124 0.22633572926419 0.40970592034163 15.999 20 O 0.41474074653875 0.22633572926419 0.09029407965837 15.999 21 O 0.20722302799508 0.15214973375980 0.15126392476115 15.999 22 O 0.79277697200492 0.15214973375980 0.34873607523886 15.999 23 O 0.29277697200492 0.34785026624020 0.65126392476115 15.999 24 O 0.70722302799508 0.34785026624020 0.84873607523885 15.999 25 Ca 0.50000000000000 0.77698161393951 0.25000000000000 40.078 26 Ca 0.00000000000000 0.72301838606049 0.75000000000000 40.078 27 Ca 0.50000000000000 0.22301838606049 0.75000000000000 40.078 28 Ca 0.00000000000000 0.27698161393951 0.25000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.555085900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.582700220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.326912259999999 Atomic positions (fractional): 1 B 0.30789740717326 0.16420799717809 0.06366335528316 10.811 > 1 2 B 0.30789740717326 0.66420799717809 0.06366335528316 10.811 > 1 3 B 0.30789740717326 0.16420799717809 0.56366335528316 10.811 > 1 4 B 0.30789740717326 0.66420799717809 0.56366335528316 10.811 > 1 5 B 0.69210259282674 0.16420799717809 0.18633664471684 10.811 > 5 6 B 0.69210259282674 0.66420799717809 0.18633664471684 10.811 > 5 7 B 0.69210259282674 0.16420799717809 0.68633664471684 10.811 > 5 8 B 0.69210259282674 0.66420799717809 0.68633664471684 10.811 > 5 9 B 0.19210259282674 0.08579200282191 0.31366335528316 10.811 > 9 10 B 0.19210259282674 0.58579200282191 0.31366335528316 10.811 > 9 11 B 0.19210259282674 0.08579200282191 0.81366335528316 10.811 > 9 12 B 0.19210259282674 0.58579200282191 0.81366335528316 10.811 > 9 13 B 0.80789740717326 0.08579200282191 0.43633664471684 10.811 > 13 14 B 0.80789740717326 0.58579200282191 0.43633664471684 10.811 > 13 15 B 0.80789740717326 0.08579200282191 0.93633664471684 10.811 > 13 16 B 0.80789740717326 0.58579200282191 0.93633664471684 10.811 > 13 17 B 0.19210259282674 0.41420799717809 0.06366335528316 10.811 > 17 18 B 0.19210259282674 0.91420799717809 0.06366335528316 10.811 > 17 19 B 0.19210259282674 0.41420799717809 0.56366335528316 10.811 > 17 20 B 0.19210259282674 0.91420799717809 0.56366335528316 10.811 > 17 21 B 0.80789740717326 0.41420799717809 0.18633664471684 10.811 > 21 22 B 0.80789740717326 0.91420799717809 0.18633664471684 10.811 > 21 23 B 0.80789740717326 0.41420799717809 0.68633664471684 10.811 > 21 24 B 0.80789740717326 0.91420799717809 0.68633664471684 10.811 > 21 25 B 0.30789740717326 0.33579200282191 0.31366335528316 10.811 > 25 26 B 0.30789740717326 0.83579200282191 0.31366335528316 10.811 > 25 27 B 0.30789740717326 0.33579200282191 0.81366335528316 10.811 > 25 28 B 0.30789740717326 0.83579200282191 0.81366335528316 10.811 > 25 29 B 0.69210259282674 0.33579200282191 0.43633664471684 10.811 > 29 30 B 0.69210259282674 0.83579200282191 0.43633664471684 10.811 > 29 31 B 0.69210259282674 0.33579200282191 0.93633664471684 10.811 > 29 32 B 0.69210259282674 0.83579200282191 0.93633664471684 10.811 > 29 33 O 0.79277697200492 0.42392513312010 0.42436803761943 15.999 > 33 34 O 0.79277697200492 0.92392513312010 0.42436803761943 15.999 > 33 35 O 0.79277697200492 0.42392513312010 0.92436803761943 15.999 > 33 36 O 0.79277697200492 0.92392513312010 0.92436803761943 15.999 > 33 37 O 0.20722302799508 0.42392513312010 0.32563196238057 15.999 > 37 38 O 0.20722302799508 0.92392513312010 0.32563196238057 15.999 > 37 39 O 0.20722302799508 0.42392513312010 0.82563196238057 15.999 > 37 40 O 0.20722302799508 0.92392513312010 0.82563196238057 15.999 > 37 41 O 0.70722302799508 0.32607486687990 0.17436803761943 15.999 > 41 42 O 0.70722302799508 0.82607486687990 0.17436803761943 15.999 > 41 43 O 0.70722302799508 0.32607486687990 0.67436803761943 15.999 > 41 44 O 0.70722302799508 0.82607486687990 0.67436803761943 15.999 > 41 45 O 0.29277697200492 0.32607486687990 0.07563196238057 15.999 > 45 46 O 0.29277697200492 0.82607486687990 0.07563196238057 15.999 > 45 47 O 0.29277697200492 0.32607486687990 0.57563196238057 15.999 > 45 48 O 0.29277697200492 0.82607486687990 0.57563196238057 15.999 > 45 49 O 0.08525925346124 0.36316786463210 0.04514703982918 15.999 > 49 50 O 0.08525925346124 0.86316786463210 0.04514703982918 15.999 > 49 51 O 0.08525925346124 0.36316786463210 0.54514703982918 15.999 > 49 52 O 0.08525925346124 0.86316786463210 0.54514703982918 15.999 > 49 53 O 0.91474074653876 0.36316786463210 0.20485296017082 15.999 > 53 54 O 0.91474074653876 0.86316786463210 0.20485296017082 15.999 > 53 55 O 0.91474074653876 0.36316786463210 0.70485296017082 15.999 > 53 56 O 0.91474074653876 0.86316786463210 0.70485296017082 15.999 > 53 57 O 0.41474074653875 0.38683213536790 0.29514703982918 15.999 > 57 58 O 0.41474074653875 0.88683213536790 0.29514703982918 15.999 > 57 59 O 0.41474074653875 0.38683213536790 0.79514703982918 15.999 > 57 60 O 0.41474074653875 0.88683213536790 0.79514703982918 15.999 > 57 61 O 0.58525925346124 0.38683213536790 0.45485296017082 15.999 > 61 62 O 0.58525925346124 0.88683213536790 0.45485296017082 15.999 > 61 63 O 0.58525925346124 0.38683213536790 0.95485296017082 15.999 > 61 64 O 0.58525925346124 0.88683213536790 0.95485296017082 15.999 > 61 65 O 0.91474074653876 0.13683213536790 0.45485296017082 15.999 > 65 66 O 0.91474074653876 0.63683213536790 0.45485296017082 15.999 > 65 67 O 0.91474074653876 0.13683213536790 0.95485296017082 15.999 > 65 68 O 0.91474074653876 0.63683213536790 0.95485296017082 15.999 > 65 69 O 0.08525925346124 0.13683213536790 0.29514703982918 15.999 > 69 70 O 0.08525925346124 0.63683213536790 0.29514703982918 15.999 > 69 71 O 0.08525925346124 0.13683213536790 0.79514703982918 15.999 > 69 72 O 0.08525925346124 0.63683213536790 0.79514703982918 15.999 > 69 73 O 0.58525925346124 0.11316786463210 0.20485296017082 15.999 > 73 74 O 0.58525925346124 0.61316786463210 0.20485296017082 15.999 > 73 75 O 0.58525925346124 0.11316786463210 0.70485296017082 15.999 > 73 76 O 0.58525925346124 0.61316786463210 0.70485296017082 15.999 > 73 77 O 0.41474074653875 0.11316786463210 0.04514703982918 15.999 > 77 78 O 0.41474074653875 0.61316786463210 0.04514703982918 15.999 > 77 79 O 0.41474074653875 0.11316786463210 0.54514703982918 15.999 > 77 80 O 0.41474074653875 0.61316786463210 0.54514703982918 15.999 > 77 81 O 0.20722302799508 0.07607486687990 0.07563196238057 15.999 > 81 82 O 0.20722302799508 0.57607486687990 0.07563196238057 15.999 > 81 83 O 0.20722302799508 0.07607486687990 0.57563196238057 15.999 > 81 84 O 0.20722302799508 0.57607486687990 0.57563196238057 15.999 > 81 85 O 0.79277697200492 0.07607486687990 0.17436803761943 15.999 > 85 86 O 0.79277697200492 0.57607486687990 0.17436803761943 15.999 > 85 87 O 0.79277697200492 0.07607486687990 0.67436803761943 15.999 > 85 88 O 0.79277697200492 0.57607486687990 0.67436803761943 15.999 > 85 89 O 0.29277697200492 0.17392513312010 0.32563196238057 15.999 > 89 90 O 0.29277697200492 0.67392513312010 0.32563196238057 15.999 > 89 91 O 0.29277697200492 0.17392513312010 0.82563196238057 15.999 > 89 92 O 0.29277697200492 0.67392513312010 0.82563196238057 15.999 > 89 93 O 0.70722302799508 0.17392513312010 0.42436803761943 15.999 > 93 94 O 0.70722302799508 0.67392513312010 0.42436803761943 15.999 > 93 95 O 0.70722302799508 0.17392513312010 0.92436803761943 15.999 > 93 96 O 0.70722302799508 0.67392513312010 0.92436803761943 15.999 > 93 97 Ca 0.50000000000000 0.38849080696976 0.12500000000000 40.078 > 97 98 Ca 0.50000000000000 0.88849080696976 0.12500000000000 40.078 > 97 99 Ca 0.50000000000000 0.38849080696976 0.62500000000000 40.078 > 97 100 Ca 0.50000000000000 0.88849080696976 0.62500000000000 40.078 > 97 101 Ca 0.00000000000000 0.36150919303024 0.37500000000000 40.078 > 101 102 Ca 0.00000000000000 0.86150919303024 0.37500000000000 40.078 > 101 103 Ca 0.00000000000000 0.36150919303024 0.87500000000000 40.078 > 101 104 Ca 0.00000000000000 0.86150919303024 0.87500000000000 40.078 > 101 105 Ca 0.50000000000000 0.11150919303024 0.37500000000000 40.078 > 105 106 Ca 0.50000000000000 0.61150919303024 0.37500000000000 40.078 > 105 107 Ca 0.50000000000000 0.11150919303024 0.87500000000000 40.078 > 105 108 Ca 0.50000000000000 0.61150919303024 0.87500000000000 40.078 > 105 109 Ca 0.00000000000000 0.13849080696976 0.12500000000000 40.078 > 109 110 Ca 0.00000000000000 0.63849080696976 0.12500000000000 40.078 > 109 111 Ca 0.00000000000000 0.13849080696976 0.62500000000000 40.078 > 109 112 Ca 0.00000000000000 0.63849080696976 0.62500000000000 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1209994 0.0000000 0.0000000 0.0000000 3.0159849 0.0000000 0.0000000 0.0000000 2.6205582 -------------------------- Born effective charges -------------------------- 1 B 2.7840844 -0.2647047 -0.3707098 0.2173751 2.7578982 0.1048909 -0.3377792 0.1155651 0.9402285 2 B 2.7840844 0.2647047 -0.3707098 -0.2173751 2.7578982 -0.1048909 -0.3377792 -0.1155651 0.9402285 3 B 2.7840844 -0.2647047 0.3707098 0.2173751 2.7578982 -0.1048909 0.3377792 -0.1155651 0.9402285 4 B 2.7840844 0.2647047 0.3707098 -0.2173751 2.7578982 0.1048909 0.3377792 0.1155651 0.9402285 5 B 2.7840844 0.2647047 0.3707098 -0.2173751 2.7578982 0.1048909 0.3377792 0.1155651 0.9402285 6 B 2.7840844 -0.2647047 0.3707098 0.2173751 2.7578982 -0.1048909 0.3377792 -0.1155651 0.9402285 7 B 2.7840844 0.2647047 -0.3707098 -0.2173751 2.7578982 -0.1048909 -0.3377792 -0.1155651 0.9402285 8 B 2.7840844 -0.2647047 -0.3707098 0.2173751 2.7578982 0.1048909 -0.3377792 0.1155651 0.9402285 9 O -1.8370453 -0.6794651 0.1204512 -0.6942400 -2.3660918 -0.0929226 0.1312725 -0.0768125 -0.7797915 10 O -1.8370453 0.6794651 0.1204512 0.6942400 -2.3660918 0.0929226 0.1312725 0.0768125 -0.7797915 11 O -1.8370453 -0.6794651 -0.1204512 -0.6942400 -2.3660918 0.0929226 -0.1312725 0.0768125 -0.7797915 12 O -1.8370453 0.6794651 -0.1204512 0.6942400 -2.3660918 -0.0929226 -0.1312725 -0.0768125 -0.7797915 13 O -2.2585297 -0.3972040 -0.2782934 -0.2918181 -1.5788223 0.0010552 -0.1908090 0.0008886 -1.3902891 14 O -2.2585297 0.3972040 -0.2782934 0.2918181 -1.5788223 -0.0010552 -0.1908090 -0.0008886 -1.3902891 15 O -2.2585297 -0.3972040 0.2782934 -0.2918181 -1.5788223 -0.0010552 0.1908090 -0.0008886 -1.3902891 16 O -2.2585297 0.3972040 0.2782934 0.2918181 -1.5788223 0.0010552 0.1908090 0.0008886 -1.3902891 17 O -2.2585297 -0.3972040 -0.2782934 -0.2918181 -1.5788223 0.0010552 -0.1908090 0.0008886 -1.3902891 18 O -2.2585297 0.3972040 -0.2782934 0.2918181 -1.5788223 -0.0010552 -0.1908090 -0.0008886 -1.3902891 19 O -2.2585297 -0.3972040 0.2782934 -0.2918181 -1.5788223 -0.0010552 0.1908090 -0.0008886 -1.3902891 20 O -2.2585297 0.3972040 0.2782934 0.2918181 -1.5788223 0.0010552 0.1908090 0.0008886 -1.3902891 21 O -1.8370453 -0.6794651 0.1204512 -0.6942400 -2.3660918 -0.0929226 0.1312725 -0.0768125 -0.7797915 22 O -1.8370453 0.6794651 0.1204512 0.6942400 -2.3660918 0.0929226 0.1312725 0.0768125 -0.7797915 23 O -1.8370453 -0.6794651 -0.1204512 -0.6942400 -2.3660918 0.0929226 -0.1312725 0.0768125 -0.7797915 24 O -1.8370453 0.6794651 -0.1204512 0.6942400 -2.3660918 -0.0929226 -0.1312725 -0.0768125 -0.7797915 25 Ca 2.6229813 0.0000000 -0.0717185 0.0000000 2.3740318 0.0000000 0.0805792 0.0000000 2.4597041 26 Ca 2.6229813 0.0000000 0.0717185 0.0000000 2.3740318 0.0000000 -0.0805792 0.0000000 2.4597041 27 Ca 2.6229813 0.0000000 -0.0717185 0.0000000 2.3740318 0.0000000 0.0805792 0.0000000 2.4597041 28 Ca 2.6229813 0.0000000 0.0717185 0.0000000 2.3740318 0.0000000 -0.0805792 0.0000000 2.4597041 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yx) -0.00000002 (yx) 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 19:31:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:31:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.555085900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.291350110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.163456129999999 Atomic positions (fractional): 1 B 0.30789740717326 0.32841599435619 0.12732671056632 10.811 2 B 0.69210259282674 0.32841599435619 0.37267328943368 10.811 3 B 0.19210259282674 0.17158400564381 0.62732671056632 10.811 4 B 0.80789740717326 0.17158400564381 0.87267328943368 10.811 5 B 0.19210259282674 0.82841599435619 0.12732671056632 10.811 6 B 0.80789740717326 0.82841599435619 0.37267328943368 10.811 7 B 0.30789740717326 0.67158400564381 0.62732671056632 10.811 8 B 0.69210259282674 0.67158400564381 0.87267328943368 10.811 9 O 0.79277697200492 0.84785026624020 0.84873607523885 15.999 10 O 0.20722302799508 0.84785026624020 0.65126392476115 15.999 11 O 0.70722302799508 0.65214973375980 0.34873607523886 15.999 12 O 0.29277697200492 0.65214973375980 0.15126392476115 15.999 13 O 0.08525925346124 0.72633572926419 0.09029407965837 15.999 14 O 0.91474074653876 0.72633572926419 0.40970592034163 15.999 15 O 0.41474074653875 0.77366427073581 0.59029407965837 15.999 16 O 0.58525925346124 0.77366427073581 0.90970592034163 15.999 17 O 0.91474074653876 0.27366427073581 0.90970592034163 15.999 18 O 0.08525925346124 0.27366427073581 0.59029407965837 15.999 19 O 0.58525925346124 0.22633572926419 0.40970592034163 15.999 20 O 0.41474074653875 0.22633572926419 0.09029407965837 15.999 21 O 0.20722302799508 0.15214973375980 0.15126392476115 15.999 22 O 0.79277697200492 0.15214973375980 0.34873607523886 15.999 23 O 0.29277697200492 0.34785026624020 0.65126392476115 15.999 24 O 0.70722302799508 0.34785026624020 0.84873607523885 15.999 25 Ca 0.50000000000000 0.77698161393951 0.25000000000000 40.078 26 Ca 0.00000000000000 0.72301838606049 0.75000000000000 40.078 27 Ca 0.50000000000000 0.22301838606049 0.75000000000000 40.078 28 Ca 0.00000000000000 0.27698161393951 0.25000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.555085900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.582700220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.326912259999999 Atomic positions (fractional): 1 B 0.30789740717326 0.16420799717809 0.06366335528316 10.811 > 1 2 B 0.30789740717326 0.66420799717809 0.06366335528316 10.811 > 1 3 B 0.30789740717326 0.16420799717809 0.56366335528316 10.811 > 1 4 B 0.30789740717326 0.66420799717809 0.56366335528316 10.811 > 1 5 B 0.69210259282674 0.16420799717809 0.18633664471684 10.811 > 5 6 B 0.69210259282674 0.66420799717809 0.18633664471684 10.811 > 5 7 B 0.69210259282674 0.16420799717809 0.68633664471684 10.811 > 5 8 B 0.69210259282674 0.66420799717809 0.68633664471684 10.811 > 5 9 B 0.19210259282674 0.08579200282191 0.31366335528316 10.811 > 9 10 B 0.19210259282674 0.58579200282191 0.31366335528316 10.811 > 9 11 B 0.19210259282674 0.08579200282191 0.81366335528316 10.811 > 9 12 B 0.19210259282674 0.58579200282191 0.81366335528316 10.811 > 9 13 B 0.80789740717326 0.08579200282191 0.43633664471684 10.811 > 13 14 B 0.80789740717326 0.58579200282191 0.43633664471684 10.811 > 13 15 B 0.80789740717326 0.08579200282191 0.93633664471684 10.811 > 13 16 B 0.80789740717326 0.58579200282191 0.93633664471684 10.811 > 13 17 B 0.19210259282674 0.41420799717809 0.06366335528316 10.811 > 17 18 B 0.19210259282674 0.91420799717809 0.06366335528316 10.811 > 17 19 B 0.19210259282674 0.41420799717809 0.56366335528316 10.811 > 17 20 B 0.19210259282674 0.91420799717809 0.56366335528316 10.811 > 17 21 B 0.80789740717326 0.41420799717809 0.18633664471684 10.811 > 21 22 B 0.80789740717326 0.91420799717809 0.18633664471684 10.811 > 21 23 B 0.80789740717326 0.41420799717809 0.68633664471684 10.811 > 21 24 B 0.80789740717326 0.91420799717809 0.68633664471684 10.811 > 21 25 B 0.30789740717326 0.33579200282191 0.31366335528316 10.811 > 25 26 B 0.30789740717326 0.83579200282191 0.31366335528316 10.811 > 25 27 B 0.30789740717326 0.33579200282191 0.81366335528316 10.811 > 25 28 B 0.30789740717326 0.83579200282191 0.81366335528316 10.811 > 25 29 B 0.69210259282674 0.33579200282191 0.43633664471684 10.811 > 29 30 B 0.69210259282674 0.83579200282191 0.43633664471684 10.811 > 29 31 B 0.69210259282674 0.33579200282191 0.93633664471684 10.811 > 29 32 B 0.69210259282674 0.83579200282191 0.93633664471684 10.811 > 29 33 O 0.79277697200492 0.42392513312010 0.42436803761943 15.999 > 33 34 O 0.79277697200492 0.92392513312010 0.42436803761943 15.999 > 33 35 O 0.79277697200492 0.42392513312010 0.92436803761943 15.999 > 33 36 O 0.79277697200492 0.92392513312010 0.92436803761943 15.999 > 33 37 O 0.20722302799508 0.42392513312010 0.32563196238057 15.999 > 37 38 O 0.20722302799508 0.92392513312010 0.32563196238057 15.999 > 37 39 O 0.20722302799508 0.42392513312010 0.82563196238057 15.999 > 37 40 O 0.20722302799508 0.92392513312010 0.82563196238057 15.999 > 37 41 O 0.70722302799508 0.32607486687990 0.17436803761943 15.999 > 41 42 O 0.70722302799508 0.82607486687990 0.17436803761943 15.999 > 41 43 O 0.70722302799508 0.32607486687990 0.67436803761943 15.999 > 41 44 O 0.70722302799508 0.82607486687990 0.67436803761943 15.999 > 41 45 O 0.29277697200492 0.32607486687990 0.07563196238057 15.999 > 45 46 O 0.29277697200492 0.82607486687990 0.07563196238057 15.999 > 45 47 O 0.29277697200492 0.32607486687990 0.57563196238057 15.999 > 45 48 O 0.29277697200492 0.82607486687990 0.57563196238057 15.999 > 45 49 O 0.08525925346124 0.36316786463210 0.04514703982918 15.999 > 49 50 O 0.08525925346124 0.86316786463210 0.04514703982918 15.999 > 49 51 O 0.08525925346124 0.36316786463210 0.54514703982918 15.999 > 49 52 O 0.08525925346124 0.86316786463210 0.54514703982918 15.999 > 49 53 O 0.91474074653876 0.36316786463210 0.20485296017082 15.999 > 53 54 O 0.91474074653876 0.86316786463210 0.20485296017082 15.999 > 53 55 O 0.91474074653876 0.36316786463210 0.70485296017082 15.999 > 53 56 O 0.91474074653876 0.86316786463210 0.70485296017082 15.999 > 53 57 O 0.41474074653875 0.38683213536790 0.29514703982918 15.999 > 57 58 O 0.41474074653875 0.88683213536790 0.29514703982918 15.999 > 57 59 O 0.41474074653875 0.38683213536790 0.79514703982918 15.999 > 57 60 O 0.41474074653875 0.88683213536790 0.79514703982918 15.999 > 57 61 O 0.58525925346124 0.38683213536790 0.45485296017082 15.999 > 61 62 O 0.58525925346124 0.88683213536790 0.45485296017082 15.999 > 61 63 O 0.58525925346124 0.38683213536790 0.95485296017082 15.999 > 61 64 O 0.58525925346124 0.88683213536790 0.95485296017082 15.999 > 61 65 O 0.91474074653876 0.13683213536790 0.45485296017082 15.999 > 65 66 O 0.91474074653876 0.63683213536790 0.45485296017082 15.999 > 65 67 O 0.91474074653876 0.13683213536790 0.95485296017082 15.999 > 65 68 O 0.91474074653876 0.63683213536790 0.95485296017082 15.999 > 65 69 O 0.08525925346124 0.13683213536790 0.29514703982918 15.999 > 69 70 O 0.08525925346124 0.63683213536790 0.29514703982918 15.999 > 69 71 O 0.08525925346124 0.13683213536790 0.79514703982918 15.999 > 69 72 O 0.08525925346124 0.63683213536790 0.79514703982918 15.999 > 69 73 O 0.58525925346124 0.11316786463210 0.20485296017082 15.999 > 73 74 O 0.58525925346124 0.61316786463210 0.20485296017082 15.999 > 73 75 O 0.58525925346124 0.11316786463210 0.70485296017082 15.999 > 73 76 O 0.58525925346124 0.61316786463210 0.70485296017082 15.999 > 73 77 O 0.41474074653875 0.11316786463210 0.04514703982918 15.999 > 77 78 O 0.41474074653875 0.61316786463210 0.04514703982918 15.999 > 77 79 O 0.41474074653875 0.11316786463210 0.54514703982918 15.999 > 77 80 O 0.41474074653875 0.61316786463210 0.54514703982918 15.999 > 77 81 O 0.20722302799508 0.07607486687990 0.07563196238057 15.999 > 81 82 O 0.20722302799508 0.57607486687990 0.07563196238057 15.999 > 81 83 O 0.20722302799508 0.07607486687990 0.57563196238057 15.999 > 81 84 O 0.20722302799508 0.57607486687990 0.57563196238057 15.999 > 81 85 O 0.79277697200492 0.07607486687990 0.17436803761943 15.999 > 85 86 O 0.79277697200492 0.57607486687990 0.17436803761943 15.999 > 85 87 O 0.79277697200492 0.07607486687990 0.67436803761943 15.999 > 85 88 O 0.79277697200492 0.57607486687990 0.67436803761943 15.999 > 85 89 O 0.29277697200492 0.17392513312010 0.32563196238057 15.999 > 89 90 O 0.29277697200492 0.67392513312010 0.32563196238057 15.999 > 89 91 O 0.29277697200492 0.17392513312010 0.82563196238057 15.999 > 89 92 O 0.29277697200492 0.67392513312010 0.82563196238057 15.999 > 89 93 O 0.70722302799508 0.17392513312010 0.42436803761943 15.999 > 93 94 O 0.70722302799508 0.67392513312010 0.42436803761943 15.999 > 93 95 O 0.70722302799508 0.17392513312010 0.92436803761943 15.999 > 93 96 O 0.70722302799508 0.67392513312010 0.92436803761943 15.999 > 93 97 Ca 0.50000000000000 0.38849080696976 0.12500000000000 40.078 > 97 98 Ca 0.50000000000000 0.88849080696976 0.12500000000000 40.078 > 97 99 Ca 0.50000000000000 0.38849080696976 0.62500000000000 40.078 > 97 100 Ca 0.50000000000000 0.88849080696976 0.62500000000000 40.078 > 97 101 Ca 0.00000000000000 0.36150919303024 0.37500000000000 40.078 > 101 102 Ca 0.00000000000000 0.86150919303024 0.37500000000000 40.078 > 101 103 Ca 0.00000000000000 0.36150919303024 0.87500000000000 40.078 > 101 104 Ca 0.00000000000000 0.86150919303024 0.87500000000000 40.078 > 101 105 Ca 0.50000000000000 0.11150919303024 0.37500000000000 40.078 > 105 106 Ca 0.50000000000000 0.61150919303024 0.37500000000000 40.078 > 105 107 Ca 0.50000000000000 0.11150919303024 0.87500000000000 40.078 > 105 108 Ca 0.50000000000000 0.61150919303024 0.87500000000000 40.078 > 105 109 Ca 0.00000000000000 0.13849080696976 0.12500000000000 40.078 > 109 110 Ca 0.00000000000000 0.63849080696976 0.12500000000000 40.078 > 109 111 Ca 0.00000000000000 0.13849080696976 0.62500000000000 40.078 > 109 112 Ca 0.00000000000000 0.63849080696976 0.62500000000000 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1209994 0.0000000 0.0000000 0.0000000 3.0159849 0.0000000 0.0000000 0.0000000 2.6205582 -------------------------- Born effective charges -------------------------- 1 B 2.7840844 -0.2647047 -0.3707098 0.2173751 2.7578982 0.1048909 -0.3377792 0.1155651 0.9402285 2 B 2.7840844 0.2647047 -0.3707098 -0.2173751 2.7578982 -0.1048909 -0.3377792 -0.1155651 0.9402285 3 B 2.7840844 -0.2647047 0.3707098 0.2173751 2.7578982 -0.1048909 0.3377792 -0.1155651 0.9402285 4 B 2.7840844 0.2647047 0.3707098 -0.2173751 2.7578982 0.1048909 0.3377792 0.1155651 0.9402285 5 B 2.7840844 0.2647047 0.3707098 -0.2173751 2.7578982 0.1048909 0.3377792 0.1155651 0.9402285 6 B 2.7840844 -0.2647047 0.3707098 0.2173751 2.7578982 -0.1048909 0.3377792 -0.1155651 0.9402285 7 B 2.7840844 0.2647047 -0.3707098 -0.2173751 2.7578982 -0.1048909 -0.3377792 -0.1155651 0.9402285 8 B 2.7840844 -0.2647047 -0.3707098 0.2173751 2.7578982 0.1048909 -0.3377792 0.1155651 0.9402285 9 O -1.8370453 -0.6794651 0.1204512 -0.6942400 -2.3660918 -0.0929226 0.1312725 -0.0768125 -0.7797915 10 O -1.8370453 0.6794651 0.1204512 0.6942400 -2.3660918 0.0929226 0.1312725 0.0768125 -0.7797915 11 O -1.8370453 -0.6794651 -0.1204512 -0.6942400 -2.3660918 0.0929226 -0.1312725 0.0768125 -0.7797915 12 O -1.8370453 0.6794651 -0.1204512 0.6942400 -2.3660918 -0.0929226 -0.1312725 -0.0768125 -0.7797915 13 O -2.2585297 -0.3972040 -0.2782934 -0.2918181 -1.5788223 0.0010552 -0.1908090 0.0008886 -1.3902891 14 O -2.2585297 0.3972040 -0.2782934 0.2918181 -1.5788223 -0.0010552 -0.1908090 -0.0008886 -1.3902891 15 O -2.2585297 -0.3972040 0.2782934 -0.2918181 -1.5788223 -0.0010552 0.1908090 -0.0008886 -1.3902891 16 O -2.2585297 0.3972040 0.2782934 0.2918181 -1.5788223 0.0010552 0.1908090 0.0008886 -1.3902891 17 O -2.2585297 -0.3972040 -0.2782934 -0.2918181 -1.5788223 0.0010552 -0.1908090 0.0008886 -1.3902891 18 O -2.2585297 0.3972040 -0.2782934 0.2918181 -1.5788223 -0.0010552 -0.1908090 -0.0008886 -1.3902891 19 O -2.2585297 -0.3972040 0.2782934 -0.2918181 -1.5788223 -0.0010552 0.1908090 -0.0008886 -1.3902891 20 O -2.2585297 0.3972040 0.2782934 0.2918181 -1.5788223 0.0010552 0.1908090 0.0008886 -1.3902891 21 O -1.8370453 -0.6794651 0.1204512 -0.6942400 -2.3660918 -0.0929226 0.1312725 -0.0768125 -0.7797915 22 O -1.8370453 0.6794651 0.1204512 0.6942400 -2.3660918 0.0929226 0.1312725 0.0768125 -0.7797915 23 O -1.8370453 -0.6794651 -0.1204512 -0.6942400 -2.3660918 0.0929226 -0.1312725 0.0768125 -0.7797915 24 O -1.8370453 0.6794651 -0.1204512 0.6942400 -2.3660918 -0.0929226 -0.1312725 -0.0768125 -0.7797915 25 Ca 2.6229813 0.0000000 -0.0717185 0.0000000 2.3740318 0.0000000 0.0805792 0.0000000 2.4597041 26 Ca 2.6229813 0.0000000 0.0717185 0.0000000 2.3740318 0.0000000 -0.0805792 0.0000000 2.4597041 27 Ca 2.6229813 0.0000000 -0.0717185 0.0000000 2.3740318 0.0000000 0.0805792 0.0000000 2.4597041 28 Ca 2.6229813 0.0000000 0.0717185 0.0000000 2.3740318 0.0000000 -0.0805792 0.0000000 2.4597041 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 12 8 ] 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: 0.62, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 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 2.171 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.547 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 10.230 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.673 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.213 ( 0.000 0.000 0.000) 0.000 18.386 ( 0.000 0.000 0.000) 0.000 18.534 ( 0.000 0.000 0.000) 0.000 18.585 ( 0.000 0.000 0.000) 0.000 18.629 ( 0.000 0.000 0.000) 0.000 18.831 ( 0.000 0.000 0.000) 0.000 18.911 ( 0.000 0.000 0.000) 0.000 19.024 ( 0.000 0.000 0.000) 0.000 19.105 ( 0.000 0.000 0.000) 0.000 19.245 ( 0.000 0.000 0.000) 0.000 19.259 ( 0.000 0.000 0.000) 0.000 20.500 ( 0.000 0.000 0.000) 0.000 20.558 ( 0.000 0.000 0.000) 0.000 20.710 ( 0.000 0.000 0.000) 0.000 20.721 ( 0.000 0.000 0.000) 0.000 20.900 ( 0.000 0.000 0.000) 0.000 20.937 ( 0.000 0.000 0.000) 0.000 21.286 ( 0.000 0.000 0.000) 0.000 21.292 ( 0.000 0.000 0.000) 0.000 21.956 ( 0.000 0.000 0.000) 0.000 22.011 ( 0.000 0.000 0.000) 0.000 31.882 ( 0.000 0.000 0.000) 0.000 31.913 ( 0.000 0.000 0.000) 0.000 31.925 ( 0.000 0.000 0.000) 0.000 31.926 ( 0.000 0.000 0.000) 0.000 34.720 ( 0.000 0.000 0.000) 0.000 34.723 ( 0.000 0.000 0.000) 0.000 34.756 ( 0.000 0.000 0.000) 0.000 34.767 ( 0.000 0.000 0.000) 0.000 35.257 ( 0.000 0.000 0.000) 0.000 35.425 ( 0.000 0.000 0.000) 0.000 35.438 ( 0.000 0.000 0.000) 0.000 35.465 ( 0.000 0.000 0.000) 0.000 41.871 ( 0.000 0.000 0.000) 0.000 41.942 ( 0.000 0.000 0.000) 0.000 41.987 ( 0.000 0.000 0.000) 0.000 42.953 ( 0.000 0.000 0.000) 0.000 43.063 ( 0.000 0.000 0.000) 0.000 44.094 ( 0.000 0.000 0.000) 0.000 44.132 ( 0.000 0.000 0.000) 0.000 47.126 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.25 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 30.484 0.000 0.000) 30.484 1.079 ( 48.269 0.000 0.000) 48.269 1.736 ( 64.910 0.000 0.000) 64.910 1.901 ( -7.871 0.000 0.000) 7.871 2.541 ( -7.179 0.000 0.000) 7.179 2.577 ( 10.939 0.000 0.000) 10.939 2.961 ( 0.075 0.000 0.000) 0.075 3.207 ( -6.183 0.000 0.000) 6.183 3.317 ( -23.896 0.000 0.000) 23.896 3.666 ( 14.691 0.000 0.000) 14.691 3.996 ( 9.953 0.000 0.000) 9.953 4.276 ( -16.678 0.000 0.000) 16.678 4.367 ( -0.187 0.000 0.000) 0.187 4.465 ( 4.899 0.000 0.000) 4.899 4.808 ( 0.997 0.000 0.000) 0.997 4.970 ( -6.039 0.000 0.000) 6.039 5.021 ( -5.047 0.000 0.000) 5.047 5.125 ( -30.260 0.000 0.000) 30.260 5.133 ( 3.199 0.000 0.000) 3.199 5.257 ( -0.189 0.000 0.000) 0.189 5.297 ( 0.112 0.000 0.000) 0.112 5.384 ( -23.438 0.000 0.000) 23.438 5.774 ( 9.741 0.000 0.000) 9.741 6.052 ( -0.792 0.000 0.000) 0.792 6.612 ( 1.480 0.000 0.000) 1.480 6.724 ( -2.328 0.000 0.000) 2.328 7.510 ( 2.539 0.000 0.000) 2.539 7.586 ( 6.490 0.000 0.000) 6.490 8.123 ( 24.484 0.000 0.000) 24.484 8.383 ( -5.444 0.000 0.000) 5.444 8.424 ( -10.024 0.000 0.000) 10.024 8.634 ( 10.303 0.000 0.000) 10.303 8.704 ( -4.445 0.000 0.000) 4.445 9.020 ( 11.945 0.000 0.000) 11.945 9.407 ( -12.841 0.000 0.000) 12.841 9.412 ( -6.223 0.000 0.000) 6.223 9.862 ( 8.104 0.000 0.000) 8.104 10.192 ( -4.891 0.000 0.000) 4.891 10.293 ( 5.680 0.000 0.000) 5.680 10.621 ( -3.598 0.000 0.000) 3.598 10.815 ( 1.681 0.000 0.000) 1.681 10.834 ( 6.255 0.000 0.000) 6.255 11.055 ( -4.621 0.000 0.000) 4.621 11.152 ( -5.421 0.000 0.000) 5.421 18.409 ( 1.970 0.000 0.000) 1.970 18.514 ( -1.845 0.000 0.000) 1.845 18.592 ( 0.546 0.000 0.000) 0.546 18.622 ( -0.578 0.000 0.000) 0.578 18.851 ( 0.973 0.000 0.000) 0.973 18.901 ( -0.857 0.000 0.000) 0.857 19.037 ( 1.120 0.000 0.000) 1.120 19.094 ( -0.950 0.000 0.000) 0.950 19.248 ( 0.203 0.000 0.000) 0.203 19.258 ( -0.155 0.000 0.000) 0.155 20.505 ( 0.536 0.000 0.000) 0.536 20.546 ( -0.980 0.000 0.000) 0.980 20.712 ( 0.132 0.000 0.000) 0.132 20.720 ( -0.129 0.000 0.000) 0.129 20.908 ( 0.428 0.000 0.000) 0.428 20.932 ( -0.444 0.000 0.000) 0.444 21.287 ( 0.089 0.000 0.000) 0.089 21.291 ( -0.069 0.000 0.000) 0.069 21.964 ( 0.728 0.000 0.000) 0.728 22.003 ( -0.685 0.000 0.000) 0.685 31.896 ( 0.427 0.000 0.000) 0.427 31.915 ( 0.217 0.000 0.000) 0.217 31.920 ( -0.436 0.000 0.000) 0.436 31.925 ( -0.130 0.000 0.000) 0.130 34.719 ( -0.024 0.000 0.000) 0.024 34.722 ( -0.111 0.000 0.000) 0.111 34.757 ( 0.146 0.000 0.000) 0.146 34.766 ( -0.146 0.000 0.000) 0.146 35.282 ( 2.221 0.000 0.000) 2.221 35.401 ( -2.098 0.000 0.000) 2.098 35.464 ( 0.017 0.000 0.000) 0.017 35.465 ( -0.021 0.000 0.000) 0.021 41.951 ( 0.797 0.000 0.000) 0.797 41.983 ( -0.359 0.000 0.000) 0.359 42.968 ( 1.303 0.000 0.000) 1.303 43.046 ( -1.508 0.000 0.000) 1.508 44.100 ( 0.486 0.000 0.000) 0.486 44.126 ( -0.488 0.000 0.000) 0.488 47.107 ( 0.283 0.000 0.000) 0.283 47.123 ( -0.277 0.000 0.000) 0.277 ======================= Grid point 2 (3/105) ======================= q-point: (-0.50 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -28.516 0.000 0.000) 28.516 1.309 ( 28.516 0.000 0.000) 28.516 2.036 ( -37.981 0.000 0.000) 37.981 2.036 ( 37.981 0.000 0.000) 37.981 2.833 ( -10.366 0.000 0.000) 10.366 2.833 ( 10.366 0.000 0.000) 10.366 3.097 ( -1.833 0.000 0.000) 1.833 3.097 ( 1.833 0.000 0.000) 1.833 3.388 ( -66.203 0.000 0.000) 66.203 3.388 ( 66.203 0.000 0.000) 66.203 4.035 ( -18.094 0.000 0.000) 18.094 4.035 ( 18.094 0.000 0.000) 18.094 4.321 ( -21.230 0.000 0.000) 21.230 4.321 ( 21.230 0.000 0.000) 21.230 4.772 ( -12.308 0.000 0.000) 12.308 4.772 ( 12.308 0.000 0.000) 12.308 4.907 ( -4.663 0.000 0.000) 4.663 4.907 ( 4.663 0.000 0.000) 4.663 5.212 ( -3.456 0.000 0.000) 3.456 5.212 ( 3.456 0.000 0.000) 3.456 5.298 ( -0.107 0.000 0.000) 0.107 5.298 ( 0.107 0.000 0.000) 0.107 5.976 ( -6.948 0.000 0.000) 6.948 5.976 ( 6.948 0.000 0.000) 6.948 6.661 ( -2.989 0.000 0.000) 2.989 6.661 ( 2.989 0.000 0.000) 2.989 7.576 ( -3.141 0.000 0.000) 3.141 7.576 ( 3.141 0.000 0.000) 3.141 8.307 ( -0.218 0.000 0.000) 0.218 8.307 ( 0.218 0.000 0.000) 0.218 8.546 ( -11.309 0.000 0.000) 11.309 8.546 ( 11.309 0.000 0.000) 11.309 9.013 ( -21.992 0.000 0.000) 21.992 9.013 ( 21.992 0.000 0.000) 21.992 9.247 ( -8.993 0.000 0.000) 8.993 9.247 ( 8.993 0.000 0.000) 8.993 10.046 ( -8.171 0.000 0.000) 8.171 10.046 ( 8.171 0.000 0.000) 8.171 10.461 ( -9.034 0.000 0.000) 9.034 10.461 ( 9.034 0.000 0.000) 9.034 10.925 ( -6.688 0.000 0.000) 6.688 10.925 ( 6.688 0.000 0.000) 6.688 10.998 ( -8.103 0.000 0.000) 8.103 10.998 ( 8.103 0.000 0.000) 8.103 18.462 ( -2.695 0.000 0.000) 2.695 18.462 ( 2.695 0.000 0.000) 2.695 18.607 ( -0.780 0.000 0.000) 0.780 18.607 ( 0.780 0.000 0.000) 0.780 18.877 ( -1.277 0.000 0.000) 1.277 18.877 ( 1.277 0.000 0.000) 1.277 19.067 ( -1.466 0.000 0.000) 1.466 19.067 ( 1.466 0.000 0.000) 1.466 19.253 ( -0.254 0.000 0.000) 0.254 19.253 ( 0.254 0.000 0.000) 0.254 20.523 ( -1.035 0.000 0.000) 1.035 20.523 ( 1.035 0.000 0.000) 1.035 20.716 ( -0.216 0.000 0.000) 0.216 20.716 ( 0.216 0.000 0.000) 0.216 20.920 ( -0.617 0.000 0.000) 0.617 20.920 ( 0.617 0.000 0.000) 0.617 21.289 ( -0.111 0.000 0.000) 0.111 21.289 ( 0.111 0.000 0.000) 0.111 21.984 ( -0.996 0.000 0.000) 0.996 21.984 ( 0.996 0.000 0.000) 0.996 31.908 ( -0.610 0.000 0.000) 0.610 31.908 ( 0.610 0.000 0.000) 0.610 31.921 ( -0.244 0.000 0.000) 0.244 31.921 ( 0.244 0.000 0.000) 0.244 34.720 ( -0.049 0.000 0.000) 0.049 34.720 ( 0.049 0.000 0.000) 0.049 34.762 ( -0.207 0.000 0.000) 0.207 34.762 ( 0.207 0.000 0.000) 0.207 35.342 ( -3.042 0.000 0.000) 3.042 35.342 ( 3.042 0.000 0.000) 3.042 35.465 ( -0.027 0.000 0.000) 0.027 35.465 ( 0.027 0.000 0.000) 0.027 41.970 ( -0.829 0.000 0.000) 0.829 41.970 ( 0.829 0.000 0.000) 0.829 43.005 ( -1.999 0.000 0.000) 1.999 43.005 ( 1.999 0.000 0.000) 1.999 44.113 ( -0.689 0.000 0.000) 0.689 44.113 ( 0.689 0.000 0.000) 0.689 47.115 ( -0.396 0.000 0.000) 0.396 47.115 ( 0.396 0.000 0.000) 0.396 ======================= Grid point 5 (4/105) ======================= 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 0.000 26.792 0.000) 26.792 0.898 ( 0.000 45.602 0.000) 45.602 1.843 ( 0.000 91.192 0.000) 91.192 2.195 ( 0.000 2.209 0.000) 2.209 2.746 ( 0.000 11.483 0.000) 11.483 3.001 ( 0.000 49.344 0.000) 49.344 3.142 ( 0.000 12.625 0.000) 12.625 3.380 ( 0.000 3.736 0.000) 3.736 3.486 ( 0.000 1.771 0.000) 1.771 3.857 ( 0.000 -2.023 0.000) 2.023 4.256 ( 0.000 28.056 0.000) 28.056 4.272 ( 0.000 40.975 0.000) 40.975 4.439 ( 0.000 0.822 0.000) 0.822 4.483 ( 0.000 -8.010 0.000) 8.010 4.904 ( 0.000 8.079 0.000) 8.079 5.035 ( 0.000 -6.350 0.000) 6.350 5.156 ( 0.000 8.487 0.000) 8.487 5.215 ( 0.000 -3.893 0.000) 3.893 5.232 ( 0.000 -0.171 0.000) 0.171 5.261 ( 0.000 2.042 0.000) 2.042 5.654 ( 0.000 -0.828 0.000) 0.828 5.978 ( 0.000 -9.144 0.000) 9.144 5.990 ( 0.000 -6.892 0.000) 6.892 6.507 ( 0.000 -6.738 0.000) 6.738 6.630 ( 0.000 3.775 0.000) 3.775 6.829 ( 0.000 3.712 0.000) 3.712 7.030 ( 0.000 5.532 0.000) 5.532 7.361 ( 0.000 11.838 0.000) 11.838 7.779 ( 0.000 -11.036 0.000) 11.036 8.379 ( 0.000 -7.489 0.000) 7.489 8.529 ( 0.000 0.210 0.000) 0.210 8.609 ( 0.000 -2.482 0.000) 2.482 8.750 ( 0.000 -0.218 0.000) 0.218 8.892 ( 0.000 -2.164 0.000) 2.164 9.071 ( 0.000 4.517 0.000) 4.517 9.541 ( 0.000 2.800 0.000) 2.800 9.598 ( 0.000 5.621 0.000) 5.621 9.768 ( 0.000 2.101 0.000) 2.101 10.218 ( 0.000 0.355 0.000) 0.355 10.515 ( 0.000 -0.986 0.000) 0.986 10.816 ( 0.000 14.259 0.000) 14.259 10.895 ( 0.000 13.897 0.000) 13.897 11.273 ( 0.000 6.107 0.000) 6.107 11.321 ( 0.000 21.164 0.000) 21.164 18.123 ( 0.000 -40.539 0.000) 40.539 18.127 ( 0.000 -36.311 0.000) 36.311 18.234 ( 0.000 -32.129 0.000) 32.129 18.539 ( 0.000 -33.404 0.000) 33.404 18.798 ( 0.000 -2.871 0.000) 2.871 18.884 ( 0.000 -2.606 0.000) 2.606 19.062 ( 0.000 2.720 0.000) 2.720 19.137 ( 0.000 2.446 0.000) 2.446 19.295 ( 0.000 2.291 0.000) 2.291 19.308 ( 0.000 3.211 0.000) 3.211 20.583 ( 0.000 -12.743 0.000) 12.743 20.585 ( 0.000 -13.888 0.000) 13.888 20.757 ( 0.000 -14.409 0.000) 14.409 20.792 ( 0.000 -14.340 0.000) 14.340 20.812 ( 0.000 19.046 0.000) 19.046 20.931 ( 0.000 12.824 0.000) 12.824 21.580 ( 0.000 26.327 0.000) 26.327 21.738 ( 0.000 39.945 0.000) 39.945 22.144 ( 0.000 21.685 0.000) 21.685 22.286 ( 0.000 19.635 0.000) 19.635 31.336 ( 0.000 -43.039 0.000) 43.039 31.397 ( 0.000 -41.125 0.000) 41.125 31.639 ( 0.000 -34.396 0.000) 34.396 31.645 ( 0.000 -33.131 0.000) 33.131 34.887 ( 0.000 14.567 0.000) 14.567 34.900 ( 0.000 14.492 0.000) 14.492 35.096 ( 0.000 33.819 0.000) 33.819 35.466 ( 0.000 25.369 0.000) 25.369 35.588 ( 0.000 23.769 0.000) 23.769 35.968 ( 0.000 42.088 0.000) 42.088 36.007 ( 0.000 40.910 0.000) 40.910 39.967 ( 0.000 -2.219 0.000) 2.219 41.837 ( 0.000 -2.487 0.000) 2.487 41.972 ( 0.000 2.346 0.000) 2.346 42.000 ( 0.000 1.438 0.000) 1.438 42.936 ( 0.000 -1.785 0.000) 1.785 43.583 ( 0.000 -1.525 0.000) 1.525 44.049 ( 0.000 -4.620 0.000) 4.620 44.096 ( 0.000 -3.733 0.000) 3.733 46.848 ( 0.000 -27.361 0.000) 27.361 ======================= Grid point 6 (5/105) ======================= q-point: ( 0.25 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 24.289 16.756 0.000) 29.508 1.546 ( 39.594 27.736 0.000) 48.342 1.951 ( -16.644 5.516 0.000) 17.534 2.387 ( 45.555 61.532 0.000) 76.560 2.786 ( 1.925 16.451 0.000) 16.563 3.113 ( 8.734 47.301 0.000) 48.101 3.155 ( -1.599 9.666 0.000) 9.797 3.392 ( -28.476 7.608 0.000) 29.474 3.403 ( 3.130 16.398 0.000) 16.694 3.620 ( 10.562 -0.642 0.000) 10.581 4.252 ( 1.071 30.864 0.000) 30.882 4.278 ( -13.479 -3.849 0.000) 14.018 4.311 ( -14.263 -1.636 0.000) 14.357 4.595 ( 15.209 11.696 0.000) 19.186 4.905 ( 1.955 8.070 0.000) 8.304 5.026 ( -3.561 -4.372 0.000) 5.639 5.074 ( -26.579 1.521 0.000) 26.623 5.098 ( -2.668 3.518 0.000) 4.415 5.220 ( 0.521 0.940 0.000) 1.075 5.306 ( -3.019 2.751 0.000) 4.084 5.388 ( -13.774 1.220 0.000) 13.828 5.673 ( -27.272 36.880 0.000) 45.868 5.799 ( 7.000 2.725 0.000) 7.512 6.012 ( -0.642 -2.335 0.000) 2.422 6.683 ( 1.831 7.959 0.000) 8.167 6.684 ( 1.160 -3.039 0.000) 3.253 7.410 ( 5.998 -8.092 0.000) 10.073 7.611 ( -0.294 0.831 0.000) 0.881 7.958 ( 26.697 -13.228 0.000) 29.795 8.338 ( -2.017 -4.664 0.000) 5.082 8.436 ( -10.330 0.888 0.000) 10.368 8.608 ( 7.239 -1.711 0.000) 7.439 8.698 ( -4.335 -0.579 0.000) 4.374 9.003 ( 7.563 -2.902 0.000) 8.101 9.413 ( -9.524 -1.006 0.000) 9.577 9.463 ( -5.670 4.486 0.000) 7.230 9.809 ( 22.312 -23.953 0.000) 32.735 9.855 ( 6.250 -0.816 0.000) 6.303 10.201 ( -1.460 -4.124 0.000) 4.375 10.289 ( -12.230 -6.880 0.000) 14.033 10.897 ( 5.953 14.749 0.000) 15.905 11.002 ( 7.554 12.617 0.000) 14.706 11.288 ( -1.851 23.984 0.000) 24.055 11.437 ( 3.834 11.957 0.000) 12.557 18.104 ( -1.008 -37.293 0.000) 37.306 18.118 ( -0.792 -36.041 0.000) 36.050 18.245 ( 1.045 -31.268 0.000) 31.285 18.382 ( -7.435 -24.033 0.000) 25.156 18.814 ( 1.218 -3.062 0.000) 3.295 18.873 ( -0.981 -2.659 0.000) 2.834 19.080 ( 1.194 2.753 0.000) 3.001 19.128 ( -0.742 2.574 0.000) 2.679 19.294 ( -0.110 2.464 0.000) 2.466 19.295 ( -0.494 3.749 0.000) 3.782 20.584 ( 0.051 -12.693 0.000) 12.693 20.585 ( 0.008 -13.521 0.000) 13.521 20.758 ( 0.078 -13.219 0.000) 13.219 20.780 ( -0.857 -8.822 0.000) 8.863 20.813 ( 0.048 13.781 0.000) 13.781 20.854 ( -3.631 19.878 0.000) 20.207 21.574 ( -0.535 26.349 0.000) 26.355 21.608 ( -4.891 35.528 0.000) 35.863 22.152 ( 0.718 21.502 0.000) 21.514 22.214 ( -2.684 21.616 0.000) 21.782 31.349 ( 0.955 -42.977 0.000) 42.988 31.390 ( -0.641 -41.437 0.000) 41.442 31.639 ( 0.072 -34.181 0.000) 34.181 31.644 ( -0.104 -33.309 0.000) 33.310 34.889 ( 0.183 14.501 0.000) 14.502 34.898 ( -0.168 14.450 0.000) 14.451 35.146 ( 5.090 38.572 0.000) 38.906 35.475 ( 0.508 26.101 0.000) 26.106 35.578 ( -0.868 24.233 0.000) 24.249 35.969 ( -0.455 43.250 0.000) 43.252 36.001 ( -0.499 41.083 0.000) 41.087 36.413 ( -89.097 107.101 0.000) 139.316 41.939 ( 1.131 -1.175 0.000) 1.631 41.992 ( -0.799 0.910 0.000) 1.212 42.953 ( 1.532 -1.475 0.000) 2.127 43.006 ( 2.647 -4.204 0.000) 4.968 44.055 ( 0.526 -4.579 0.000) 4.609 44.084 ( -0.493 -4.397 0.000) 4.424 45.747 ( 76.392 -91.430 0.000) 119.143 46.799 ( -4.901 -31.386 0.000) 31.766 ======================= Grid point 7 (6/105) ======================= q-point: (-0.50 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 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -25.745 10.358 0.000) 27.750 1.405 ( 25.745 10.358 0.000) 27.750 2.458 ( -35.590 29.474 0.000) 46.210 2.458 ( 35.590 29.474 0.000) 46.210 3.036 ( -1.136 2.292 0.000) 2.558 3.036 ( 1.136 2.292 0.000) 2.558 3.355 ( -7.695 40.648 0.000) 41.370 3.355 ( 7.695 40.648 0.000) 41.370 3.582 ( -50.359 18.926 0.000) 53.798 3.582 ( 50.359 18.926 0.000) 53.798 3.937 ( -17.563 -7.982 0.000) 19.292 3.937 ( 17.563 -7.982 0.000) 19.292 4.419 ( -16.344 11.841 0.000) 20.183 4.419 ( 16.344 11.841 0.000) 20.183 4.876 ( -8.860 0.673 0.000) 8.885 4.876 ( 8.860 0.673 0.000) 8.885 5.014 ( -6.477 9.479 0.000) 11.480 5.014 ( 6.477 9.479 0.000) 11.480 5.249 ( -1.768 7.230 0.000) 7.444 5.249 ( 1.768 7.230 0.000) 7.444 5.378 ( -4.303 11.288 0.000) 12.081 5.378 ( 4.303 11.288 0.000) 12.081 5.958 ( -5.357 -0.988 0.000) 5.448 5.958 ( 5.357 -0.988 0.000) 5.448 6.704 ( -0.036 4.959 0.000) 4.959 6.704 ( 0.036 4.959 0.000) 4.959 7.512 ( -5.072 -7.340 0.000) 8.922 7.512 ( 5.072 -7.340 0.000) 8.922 8.283 ( -3.709 -1.597 0.000) 4.038 8.283 ( 3.709 -1.597 0.000) 4.038 8.526 ( -13.519 -2.436 0.000) 13.736 8.526 ( 13.519 -2.436 0.000) 13.736 8.879 ( -17.555 -10.612 0.000) 20.513 8.879 ( 17.555 -10.612 0.000) 20.513 9.332 ( -5.274 7.390 0.000) 9.079 9.332 ( 5.274 7.390 0.000) 9.079 9.990 ( -4.337 -5.889 0.000) 7.314 9.990 ( 4.337 -5.889 0.000) 7.314 10.157 ( -1.628 -14.134 0.000) 14.228 10.157 ( 1.628 -14.134 0.000) 14.228 11.035 ( -5.187 11.206 0.000) 12.348 11.035 ( 5.187 11.206 0.000) 12.348 11.361 ( -7.745 24.704 0.000) 25.890 11.361 ( 7.745 24.704 0.000) 25.890 18.100 ( -0.571 -35.551 0.000) 35.556 18.100 ( 0.571 -35.551 0.000) 35.556 18.282 ( -2.659 -28.354 0.000) 28.478 18.282 ( 2.659 -28.354 0.000) 28.478 18.845 ( -1.516 -2.840 0.000) 3.220 18.845 ( 1.516 -2.840 0.000) 3.220 19.107 ( -1.183 2.840 0.000) 3.077 19.107 ( 1.183 2.840 0.000) 3.077 19.291 ( -0.064 2.967 0.000) 2.968 19.291 ( 0.064 2.967 0.000) 2.968 20.585 ( -0.018 -12.903 0.000) 12.903 20.585 ( 0.018 -12.903 0.000) 12.903 20.764 ( -0.544 -8.786 0.000) 8.803 20.764 ( 0.544 -8.786 0.000) 8.803 20.816 ( -0.454 14.830 0.000) 14.837 20.816 ( 0.454 14.830 0.000) 14.837 21.566 ( -0.133 27.759 0.000) 27.760 21.566 ( 0.133 27.759 0.000) 27.760 22.174 ( -1.314 21.270 0.000) 21.311 22.174 ( 1.314 21.270 0.000) 21.311 31.371 ( -1.035 -42.208 0.000) 42.220 31.371 ( 1.035 -42.208 0.000) 42.220 31.641 ( -0.116 -33.739 0.000) 33.739 31.641 ( 0.116 -33.739 0.000) 33.739 34.893 ( -0.216 14.418 0.000) 14.420 34.893 ( 0.216 14.418 0.000) 14.420 35.357 ( -14.806 51.604 0.000) 53.686 35.357 ( 14.806 51.604 0.000) 53.686 35.574 ( -3.318 31.790 0.000) 31.963 35.574 ( 3.318 31.790 0.000) 31.963 35.988 ( -0.511 41.354 0.000) 41.357 35.988 ( 0.511 41.354 0.000) 41.357 41.967 ( -1.359 -0.214 0.000) 1.375 41.967 ( 1.359 -0.214 0.000) 1.375 42.994 ( -1.872 -1.208 0.000) 2.227 42.994 ( 1.872 -1.208 0.000) 2.227 44.070 ( -0.760 -4.461 0.000) 4.526 44.070 ( 0.760 -4.461 0.000) 4.526 46.586 ( -17.333 -48.035 0.000) 51.067 46.586 ( 17.333 -48.035 0.000) 51.067 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 26.533 0.000) 26.533 1.752 ( 0.000 41.604 0.000) 41.604 2.243 ( 0.000 2.621 0.000) 2.621 2.902 ( 0.000 5.003 0.000) 5.003 3.279 ( 0.000 11.652 0.000) 11.652 3.304 ( 0.000 23.583 0.000) 23.583 3.570 ( 0.000 7.733 0.000) 7.733 3.591 ( 0.000 41.735 0.000) 41.735 3.670 ( 0.000 -16.792 0.000) 16.792 3.945 ( 0.000 33.447 0.000) 33.447 4.334 ( 0.000 -8.758 0.000) 8.758 4.518 ( 0.000 15.247 0.000) 15.247 4.844 ( 0.000 -13.166 0.000) 13.166 4.895 ( 0.000 30.387 0.000) 30.387 5.035 ( 0.000 4.953 0.000) 4.953 5.053 ( 0.000 24.135 0.000) 24.135 5.122 ( 0.000 -5.418 0.000) 5.418 5.273 ( 0.000 2.431 0.000) 2.431 5.303 ( 0.000 2.062 0.000) 2.062 5.590 ( 0.000 -1.770 0.000) 1.770 5.634 ( 0.000 46.615 0.000) 46.615 5.797 ( 0.000 -11.661 0.000) 11.661 5.964 ( 0.000 9.284 0.000) 9.284 6.416 ( 0.000 -3.207 0.000) 3.207 6.720 ( 0.000 2.470 0.000) 2.470 6.859 ( 0.000 -0.384 0.000) 0.384 7.164 ( 0.000 7.519 0.000) 7.519 7.518 ( 0.000 -9.493 0.000) 9.493 7.742 ( 0.000 23.584 0.000) 23.584 8.212 ( 0.000 -7.588 0.000) 7.588 8.536 ( 0.000 0.445 0.000) 0.445 8.547 ( 0.000 -3.715 0.000) 3.715 8.740 ( 0.000 -0.978 0.000) 0.978 8.836 ( 0.000 -3.384 0.000) 3.384 9.279 ( 0.000 18.650 0.000) 18.650 9.552 ( 0.000 -1.677 0.000) 1.677 9.801 ( 0.000 16.637 0.000) 16.637 9.891 ( 0.000 13.525 0.000) 13.525 10.332 ( 0.000 13.600 0.000) 13.600 10.510 ( 0.000 2.236 0.000) 2.236 11.193 ( 0.000 23.529 0.000) 23.529 11.266 ( 0.000 22.987 0.000) 22.987 11.448 ( 0.000 12.006 0.000) 12.006 11.874 ( 0.000 33.799 0.000) 33.799 17.273 ( 0.000 -44.604 0.000) 44.604 17.295 ( 0.000 -46.446 0.000) 46.446 17.491 ( 0.000 -42.227 0.000) 42.227 17.763 ( 0.000 -43.617 0.000) 43.617 18.724 ( 0.000 -5.316 0.000) 5.316 18.803 ( 0.000 -6.585 0.000) 6.585 19.062 ( 0.000 -5.311 0.000) 5.311 19.143 ( 0.000 -4.222 0.000) 4.222 19.321 ( 0.000 0.429 0.000) 0.429 19.342 ( 0.000 0.633 0.000) 0.633 20.196 ( 0.000 -25.431 0.000) 25.431 20.238 ( 0.000 -22.662 0.000) 22.662 20.385 ( 0.000 -20.605 0.000) 20.605 20.437 ( 0.000 -19.296 0.000) 19.296 21.063 ( 0.000 5.281 0.000) 5.281 21.096 ( 0.000 3.152 0.000) 3.152 22.256 ( 0.000 43.114 0.000) 43.114 22.647 ( 0.000 51.062 0.000) 51.062 22.806 ( 0.000 43.362 0.000) 43.362 22.868 ( 0.000 38.499 0.000) 38.499 30.387 ( 0.000 -52.196 0.000) 52.196 30.472 ( 0.000 -51.624 0.000) 51.624 30.763 ( 0.000 -51.936 0.000) 51.936 30.803 ( 0.000 -50.147 0.000) 50.147 35.277 ( 0.000 24.812 0.000) 24.812 35.295 ( 0.000 25.338 0.000) 25.338 35.929 ( 0.000 48.147 0.000) 48.147 36.092 ( 0.000 34.949 0.000) 34.949 36.182 ( 0.000 33.544 0.000) 33.544 36.849 ( 0.000 45.602 0.000) 45.602 36.881 ( 0.000 46.467 0.000) 46.467 39.905 ( 0.000 -4.162 0.000) 4.162 41.799 ( 0.000 -0.905 0.000) 0.905 42.024 ( 0.000 3.105 0.000) 3.105 42.047 ( 0.000 3.471 0.000) 3.471 42.887 ( 0.000 -3.161 0.000) 3.161 43.542 ( 0.000 -2.581 0.000) 2.581 43.915 ( 0.000 -9.218 0.000) 9.218 43.988 ( 0.000 -7.232 0.000) 7.232 46.148 ( 0.000 -42.040 0.000) 42.040 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 17.165 22.492 0.000) 28.293 2.078 ( 12.563 24.570 0.000) 27.595 2.085 ( 0.001 10.698 0.000) 10.698 2.972 ( 5.801 3.996 0.000) 7.044 3.281 ( -0.853 5.570 0.000) 5.634 3.421 ( -21.959 -6.944 0.000) 23.031 3.446 ( 6.794 -2.968 0.000) 7.414 3.499 ( 11.202 31.351 0.000) 33.292 3.938 ( 19.323 38.303 0.000) 42.902 3.975 ( 0.245 22.997 0.000) 22.998 4.125 ( -16.086 -8.291 0.000) 18.097 4.511 ( -0.730 27.201 0.000) 27.211 4.793 ( -3.672 11.636 0.000) 12.201 4.834 ( -1.373 -11.192 0.000) 11.276 5.001 ( -2.505 22.413 0.000) 22.553 5.020 ( -5.839 0.443 0.000) 5.856 5.202 ( 5.164 -0.097 0.000) 5.165 5.257 ( -10.229 13.416 0.000) 16.871 5.352 ( 1.415 0.495 0.000) 1.500 5.362 ( -16.896 26.139 0.000) 31.124 5.530 ( 5.065 14.908 0.000) 15.744 5.882 ( 0.841 2.673 0.000) 2.802 5.912 ( 3.153 10.617 0.000) 11.076 6.336 ( -15.847 20.934 0.000) 26.256 6.643 ( 4.297 -0.698 0.000) 4.354 6.921 ( 8.694 12.601 0.000) 15.309 7.288 ( 2.648 -2.466 0.000) 3.618 7.396 ( -9.428 -18.511 0.000) 20.773 7.960 ( 19.326 13.567 0.000) 23.612 8.226 ( 1.814 -5.167 0.000) 5.476 8.445 ( -7.773 -0.231 0.000) 7.776 8.586 ( 4.372 -0.549 0.000) 4.406 8.687 ( -4.868 -0.451 0.000) 4.889 8.868 ( -1.845 -8.895 0.000) 9.084 9.439 ( 8.218 9.862 0.000) 12.838 9.550 ( -0.417 2.786 0.000) 2.817 9.814 ( 4.339 17.245 0.000) 17.782 9.895 ( 0.854 9.872 0.000) 9.909 10.235 ( -15.415 1.850 0.000) 15.525 10.260 ( -6.406 11.945 0.000) 13.555 11.273 ( 3.974 22.997 0.000) 23.338 11.317 ( 3.202 20.109 0.000) 20.362 11.670 ( 13.258 13.204 0.000) 18.712 11.866 ( -0.475 32.891 0.000) 32.894 17.274 ( 0.137 -44.695 0.000) 44.695 17.290 ( -0.417 -46.064 0.000) 46.066 17.518 ( 2.411 -41.651 0.000) 41.721 17.701 ( -4.817 -41.594 0.000) 41.872 18.737 ( 1.156 -5.456 0.000) 5.577 18.793 ( -0.874 -6.340 0.000) 6.400 19.080 ( 1.397 -5.276 0.000) 5.457 19.135 ( -0.755 -4.394 0.000) 4.458 19.323 ( 0.178 0.550 0.000) 0.578 19.337 ( -0.384 0.808 0.000) 0.895 20.204 ( 0.630 -25.143 0.000) 25.151 20.234 ( -0.435 -23.216 0.000) 23.220 20.391 ( 0.534 -20.257 0.000) 20.264 20.428 ( -0.789 -19.360 0.000) 19.376 21.064 ( 0.113 5.352 0.000) 5.353 21.086 ( -0.768 4.093 0.000) 4.165 22.266 ( 1.229 44.467 0.000) 44.484 22.512 ( -10.182 52.480 0.000) 53.459 22.807 ( 0.102 42.978 0.000) 42.978 22.832 ( -1.551 40.314 0.000) 40.344 30.401 ( 1.187 -52.167 0.000) 52.181 30.461 ( -1.001 -51.732 0.000) 51.742 30.769 ( 0.522 -51.683 0.000) 51.686 30.797 ( -0.523 -50.413 0.000) 50.416 35.279 ( 0.189 24.854 0.000) 24.855 35.291 ( -0.284 25.230 0.000) 25.232 36.061 ( 11.619 50.532 0.000) 51.851 36.105 ( 1.086 34.943 0.000) 34.960 36.184 ( 1.662 34.908 0.000) 34.947 36.854 ( 0.420 45.769 0.000) 45.771 36.877 ( -0.401 46.374 0.000) 46.376 38.008 ( -91.104 57.008 0.000) 107.470 41.915 ( 2.144 -0.897 0.000) 2.324 42.023 ( -2.022 2.507 0.000) 3.221 42.880 ( 15.393 -8.535 0.000) 17.601 42.913 ( 2.191 -2.543 0.000) 3.357 43.922 ( 0.610 -9.173 0.000) 9.193 43.944 ( 2.029 -10.847 0.000) 11.035 44.425 ( 65.407 -43.532 0.000) 78.569 46.023 ( -12.307 -45.183 0.000) 46.829 ======================= Grid point 12 (9/105) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -21.165 16.262 0.000) 26.691 1.676 ( 21.165 16.262 0.000) 26.691 2.766 ( -32.562 4.063 0.000) 32.815 2.766 ( 32.562 4.063 0.000) 32.815 3.159 ( -7.279 8.235 0.000) 10.990 3.159 ( 7.279 8.235 0.000) 10.990 3.738 ( -18.059 -7.386 0.000) 19.511 3.738 ( 18.059 -7.386 0.000) 19.511 3.833 ( -13.600 10.007 0.000) 16.885 3.833 ( 13.600 10.007 0.000) 16.885 4.362 ( -17.327 44.134 0.000) 47.413 4.362 ( 17.327 44.134 0.000) 47.413 4.807 ( -0.405 -7.185 0.000) 7.197 4.807 ( 0.405 -7.185 0.000) 7.197 4.882 ( -6.458 32.837 0.000) 33.466 4.882 ( 6.458 32.837 0.000) 33.466 5.137 ( -0.773 6.767 0.000) 6.811 5.137 ( 0.773 6.767 0.000) 6.811 5.316 ( -4.225 1.022 0.000) 4.347 5.316 ( 4.225 1.022 0.000) 4.347 5.755 ( -11.173 13.659 0.000) 17.647 5.755 ( 11.173 13.659 0.000) 17.647 6.053 ( -8.590 16.264 0.000) 18.393 6.053 ( 8.590 16.264 0.000) 18.393 6.877 ( -11.514 11.327 0.000) 16.152 6.877 ( 11.514 11.327 0.000) 16.152 7.287 ( -0.524 -13.297 0.000) 13.307 7.287 ( 0.524 -13.297 0.000) 13.307 8.285 ( -6.284 1.802 0.000) 6.538 8.285 ( 6.284 1.802 0.000) 6.538 8.454 ( -18.765 -3.097 0.000) 19.019 8.454 ( 18.765 -3.097 0.000) 19.019 8.716 ( -7.917 -4.978 0.000) 9.352 8.716 ( 7.917 -4.978 0.000) 9.352 9.524 ( -1.990 11.179 0.000) 11.354 9.524 ( 1.990 11.179 0.000) 11.354 9.940 ( -1.287 6.447 0.000) 6.574 9.940 ( 1.287 6.447 0.000) 6.574 10.086 ( -6.363 6.660 0.000) 9.211 10.086 ( 6.363 6.660 0.000) 9.211 11.340 ( -1.532 19.610 0.000) 19.670 11.340 ( 1.532 19.610 0.000) 19.670 11.843 ( -2.989 24.745 0.000) 24.925 11.843 ( 2.989 24.745 0.000) 24.925 17.280 ( -0.428 -45.248 0.000) 45.250 17.280 ( 0.428 -45.248 0.000) 45.250 17.594 ( -4.523 -40.669 0.000) 40.920 17.594 ( 4.523 -40.669 0.000) 40.920 18.767 ( -1.442 -5.844 0.000) 6.019 18.767 ( 1.442 -5.844 0.000) 6.019 19.111 ( -1.337 -4.844 0.000) 5.025 19.111 ( 1.337 -4.844 0.000) 5.025 19.328 ( -0.333 0.791 0.000) 0.858 19.328 ( 0.333 0.791 0.000) 0.858 20.220 ( -0.788 -24.311 0.000) 24.323 20.220 ( 0.788 -24.311 0.000) 24.323 20.408 ( -0.964 -19.666 0.000) 19.689 20.408 ( 0.964 -19.666 0.000) 19.689 21.070 ( -0.524 5.190 0.000) 5.216 21.070 ( 0.524 5.190 0.000) 5.216 22.331 ( -5.456 48.726 0.000) 49.030 22.331 ( 5.456 48.726 0.000) 49.030 22.812 ( -0.488 41.959 0.000) 41.962 22.812 ( 0.488 41.959 0.000) 41.962 30.432 ( -1.534 -51.978 0.000) 52.001 30.432 ( 1.534 -51.978 0.000) 52.001 30.783 ( -0.713 -51.052 0.000) 51.057 30.783 ( 0.713 -51.052 0.000) 51.057 35.284 ( -0.310 25.010 0.000) 25.012 35.284 ( 0.310 25.010 0.000) 25.012 36.132 ( -1.114 35.318 0.000) 35.336 36.132 ( 1.114 35.318 0.000) 35.336 36.638 ( -39.566 59.744 0.000) 71.657 36.638 ( 39.566 59.744 0.000) 71.657 36.866 ( -0.565 46.086 0.000) 46.089 36.866 ( 0.565 46.086 0.000) 46.089 41.969 ( -2.730 0.648 0.000) 2.806 41.969 ( 2.730 0.648 0.000) 2.806 42.960 ( -1.328 -2.203 0.000) 2.573 42.960 ( 1.328 -2.203 0.000) 2.573 43.938 ( -0.844 -9.109 0.000) 9.148 43.938 ( 0.844 -9.109 0.000) 9.148 45.546 ( -34.438 -53.243 0.000) 63.409 45.546 ( 34.438 -53.243 0.000) 63.409 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 25.094 0.000) 25.094 2.304 ( 0.000 4.743 0.000) 4.743 2.473 ( 0.000 30.840 0.000) 30.840 2.983 ( 0.000 4.213 0.000) 4.213 3.310 ( 0.000 -17.381 0.000) 17.381 3.357 ( 0.000 2.361 0.000) 2.361 3.452 ( 0.000 4.454 0.000) 4.454 3.809 ( 0.000 16.660 0.000) 16.660 4.103 ( 0.000 -5.548 0.000) 5.548 4.132 ( 0.000 -10.759 0.000) 10.759 4.449 ( 0.000 27.087 0.000) 27.087 4.551 ( 0.000 -15.669 0.000) 15.669 5.012 ( 0.000 -5.651 0.000) 5.651 5.019 ( 0.000 21.766 0.000) 21.766 5.059 ( 0.000 -3.684 0.000) 3.684 5.237 ( 0.000 -3.061 0.000) 3.061 5.241 ( 0.000 4.108 0.000) 4.108 5.433 ( 0.000 13.969 0.000) 13.969 5.450 ( 0.000 21.538 0.000) 21.538 5.589 ( 0.000 -8.896 0.000) 8.896 5.748 ( 0.000 15.270 0.000) 15.270 6.281 ( 0.000 21.655 0.000) 21.655 6.345 ( 0.000 -4.754 0.000) 4.754 6.430 ( 0.000 23.804 0.000) 23.804 6.612 ( 0.000 -11.536 0.000) 11.536 6.833 ( 0.000 -1.798 0.000) 1.798 7.348 ( 0.000 13.668 0.000) 13.668 7.365 ( 0.000 -10.281 0.000) 10.281 8.164 ( 0.000 10.831 0.000) 10.831 8.235 ( 0.000 14.857 0.000) 14.857 8.471 ( 0.000 -4.018 0.000) 4.018 8.546 ( 0.000 0.697 0.000) 0.697 8.710 ( 0.000 -1.900 0.000) 1.900 8.768 ( 0.000 -3.421 0.000) 3.421 9.493 ( 0.000 -4.019 0.000) 4.019 9.682 ( 0.000 12.799 0.000) 12.799 10.346 ( 0.000 44.537 0.000) 44.537 10.449 ( 0.000 46.695 0.000) 46.695 10.780 ( 0.000 32.215 0.000) 32.215 10.821 ( 0.000 38.013 0.000) 38.013 11.677 ( 0.000 23.062 0.000) 23.062 11.757 ( 0.000 27.144 0.000) 27.144 11.760 ( 0.000 22.580 0.000) 22.580 12.553 ( 0.000 34.473 0.000) 34.473 16.392 ( 0.000 -45.316 0.000) 45.316 16.443 ( 0.000 -40.077 0.000) 40.077 16.651 ( 0.000 -43.139 0.000) 43.139 16.914 ( 0.000 -42.542 0.000) 42.542 18.527 ( 0.000 -18.424 0.000) 18.424 18.546 ( 0.000 -23.413 0.000) 23.413 18.736 ( 0.000 -29.576 0.000) 29.576 18.850 ( 0.000 -28.163 0.000) 28.163 19.317 ( 0.000 -0.675 0.000) 0.675 19.343 ( 0.000 -0.381 0.000) 0.381 19.670 ( 0.000 -24.784 0.000) 24.784 19.714 ( 0.000 -27.576 0.000) 27.576 20.142 ( 0.000 -3.084 0.000) 3.084 20.189 ( 0.000 -4.004 0.000) 4.004 21.064 ( 0.000 -3.679 0.000) 3.679 21.081 ( 0.000 -3.786 0.000) 3.786 23.201 ( 0.000 52.564 0.000) 52.564 23.662 ( 0.000 52.303 0.000) 52.303 23.704 ( 0.000 46.541 0.000) 46.541 23.720 ( 0.000 49.199 0.000) 49.199 29.364 ( 0.000 -52.503 0.000) 52.503 29.451 ( 0.000 -52.772 0.000) 52.772 29.710 ( 0.000 -55.350 0.000) 55.350 29.779 ( 0.000 -54.158 0.000) 54.158 35.812 ( 0.000 29.241 0.000) 29.241 35.846 ( 0.000 30.344 0.000) 30.344 36.718 ( 0.000 27.852 0.000) 27.852 36.793 ( 0.000 27.794 0.000) 27.794 36.848 ( 0.000 44.429 0.000) 44.429 37.660 ( 0.000 36.429 0.000) 36.429 37.742 ( 0.000 41.086 0.000) 41.086 39.808 ( 0.000 -5.753 0.000) 5.753 41.822 ( 0.000 3.814 0.000) 3.814 42.099 ( 0.000 4.764 0.000) 4.764 42.142 ( 0.000 6.483 0.000) 6.483 42.816 ( 0.000 -4.089 0.000) 4.089 43.484 ( 0.000 -3.651 0.000) 3.651 43.693 ( 0.000 -13.572 0.000) 13.572 43.823 ( 0.000 -9.359 0.000) 9.359 45.312 ( 0.000 -41.952 0.000) 41.952 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 12.327 22.372 0.000) 25.544 2.243 ( -6.991 8.592 0.000) 11.077 2.564 ( 8.322 20.789 0.000) 22.392 3.007 ( -0.561 -0.107 0.000) 0.571 3.213 ( -5.543 -9.225 0.000) 10.762 3.392 ( 2.077 5.703 0.000) 6.069 3.442 ( -0.694 3.685 0.000) 3.750 3.766 ( 2.569 8.164 0.000) 8.559 3.964 ( -12.722 -7.015 0.000) 14.527 4.076 ( -4.079 -3.904 0.000) 5.646 4.563 ( 1.464 -13.592 0.000) 13.671 4.719 ( 18.431 27.732 0.000) 33.298 4.828 ( -13.323 -5.544 0.000) 14.430 5.057 ( 3.771 -5.207 0.000) 6.430 5.081 ( -2.115 9.464 0.000) 9.697 5.151 ( 6.887 18.013 0.000) 19.284 5.350 ( 2.784 2.525 0.000) 3.759 5.418 ( -1.533 18.281 0.000) 18.345 5.516 ( -2.638 12.612 0.000) 12.885 5.534 ( -5.201 -3.351 0.000) 6.187 5.805 ( 3.851 13.132 0.000) 13.685 6.222 ( -14.604 15.100 0.000) 21.006 6.241 ( 4.019 21.168 0.000) 21.547 6.473 ( 8.142 -4.918 0.000) 9.512 6.757 ( -5.343 12.270 0.000) 13.383 6.779 ( 9.356 -20.100 0.000) 22.170 7.293 ( -5.445 -2.247 0.000) 5.891 7.342 ( -1.790 6.628 0.000) 6.866 8.243 ( 2.064 8.986 0.000) 9.220 8.263 ( 8.091 12.650 0.000) 15.016 8.426 ( -3.946 -1.444 0.000) 4.202 8.585 ( 3.196 0.501 0.000) 3.235 8.678 ( -3.935 -0.596 0.000) 3.980 8.739 ( -3.143 -4.144 0.000) 5.201 9.528 ( 3.078 -3.982 0.000) 5.032 9.673 ( -1.385 5.206 0.000) 5.387 10.379 ( 3.841 43.377 0.000) 43.546 10.437 ( -0.812 47.242 0.000) 47.249 10.590 ( -10.690 41.356 0.000) 42.715 10.736 ( -7.406 38.413 0.000) 39.120 11.762 ( 1.259 26.681 0.000) 26.710 11.770 ( 0.890 26.053 0.000) 26.068 11.968 ( 18.470 17.766 0.000) 25.627 12.501 ( -5.018 31.505 0.000) 31.902 16.401 ( 0.696 -44.319 0.000) 44.324 16.436 ( -0.618 -40.670 0.000) 40.675 16.686 ( 3.109 -42.771 0.000) 42.884 16.872 ( -3.662 -42.223 0.000) 42.381 18.533 ( 0.477 -19.123 0.000) 19.129 18.546 ( 0.004 -22.676 0.000) 22.676 18.756 ( 1.702 -29.448 0.000) 29.497 18.836 ( -1.269 -28.379 0.000) 28.408 19.321 ( 0.310 -0.628 0.000) 0.700 19.339 ( -0.346 -0.407 0.000) 0.534 19.676 ( 0.539 -25.231 0.000) 25.236 19.707 ( -0.580 -27.208 0.000) 27.214 20.149 ( 0.593 -3.188 0.000) 3.242 20.182 ( -0.627 -3.839 0.000) 3.890 21.066 ( 0.163 -3.636 0.000) 3.640 21.078 ( -0.256 -3.706 0.000) 3.715 23.233 ( 3.200 53.330 0.000) 53.426 23.549 ( -9.094 53.258 0.000) 54.029 23.703 ( 0.093 48.005 0.000) 48.006 23.716 ( -0.351 49.060 0.000) 49.061 29.378 ( 1.177 -52.563 0.000) 52.576 29.439 ( -1.054 -52.754 0.000) 52.765 29.720 ( 0.869 -55.205 0.000) 55.212 29.769 ( -0.920 -54.350 0.000) 54.357 35.816 ( 0.347 29.372 0.000) 29.374 35.839 ( -0.529 30.152 0.000) 30.157 36.731 ( 1.090 27.877 0.000) 27.898 36.783 ( -0.840 27.891 0.000) 27.904 37.032 ( 17.487 44.814 0.000) 48.105 37.673 ( 1.112 37.133 0.000) 37.149 37.731 ( -1.002 40.437 0.000) 40.449 38.785 ( -62.984 26.532 0.000) 68.344 41.924 ( 3.375 2.383 0.000) 4.132 42.097 ( -3.692 5.275 0.000) 6.439 42.701 ( 26.277 -8.787 0.000) 27.707 42.858 ( 3.218 -3.112 0.000) 4.477 43.658 ( 10.504 -15.634 0.000) 18.835 43.700 ( 0.641 -13.566 0.000) 13.582 43.933 ( 19.749 -13.818 0.000) 24.103 45.155 ( -14.893 -42.027 0.000) 44.588 ======================= Grid point 17 (12/105) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -14.728 15.914 0.000) 21.684 1.995 ( 14.728 15.914 0.000) 21.684 2.810 ( -13.382 2.223 0.000) 13.565 2.810 ( 13.382 2.223 0.000) 13.565 3.266 ( -7.455 3.927 0.000) 8.426 3.266 ( 7.455 3.927 0.000) 8.426 3.650 ( -14.537 -0.723 0.000) 14.555 3.650 ( 14.537 -0.723 0.000) 14.555 3.926 ( -9.130 0.987 0.000) 9.183 3.926 ( 9.130 0.987 0.000) 9.183 4.626 ( -5.218 -10.542 0.000) 11.763 4.626 ( 5.218 -10.542 0.000) 11.763 5.015 ( -5.504 17.128 0.000) 17.991 5.015 ( 5.504 17.128 0.000) 17.991 5.229 ( -13.144 4.987 0.000) 14.058 5.229 ( 13.144 4.987 0.000) 14.058 5.360 ( -9.724 13.830 0.000) 16.906 5.360 ( 9.724 13.830 0.000) 16.906 5.420 ( -1.142 11.278 0.000) 11.335 5.420 ( 1.142 11.278 0.000) 11.335 5.937 ( -9.763 8.513 0.000) 12.954 5.937 ( 9.763 8.513 0.000) 12.954 6.443 ( -10.353 18.326 0.000) 21.048 6.443 ( 10.353 18.326 0.000) 21.048 6.810 ( -7.292 -15.060 0.000) 16.732 6.810 ( 7.292 -15.060 0.000) 16.732 7.262 ( -3.920 4.150 0.000) 5.708 7.262 ( 3.920 4.150 0.000) 5.708 8.320 ( -5.013 3.099 0.000) 5.894 8.320 ( 5.013 3.099 0.000) 5.894 8.495 ( -11.589 5.531 0.000) 12.841 8.495 ( 11.589 5.531 0.000) 12.841 8.664 ( -3.678 -1.033 0.000) 3.821 8.664 ( 3.678 -1.033 0.000) 3.821 9.610 ( -3.995 -2.637 0.000) 4.787 9.610 ( 3.995 -2.637 0.000) 4.787 10.442 ( -1.980 46.213 0.000) 46.255 10.442 ( 1.980 46.213 0.000) 46.255 10.541 ( -9.066 41.833 0.000) 42.804 10.541 ( 9.066 41.833 0.000) 42.804 11.780 ( -0.204 25.358 0.000) 25.359 11.780 ( 0.204 25.358 0.000) 25.359 12.317 ( -12.449 23.941 0.000) 26.984 12.317 ( 12.449 23.941 0.000) 26.984 16.419 ( -0.887 -42.302 0.000) 42.311 16.419 ( 0.887 -42.302 0.000) 42.311 16.775 ( -4.775 -42.153 0.000) 42.423 16.775 ( 4.775 -42.153 0.000) 42.423 18.543 ( -0.336 -20.882 0.000) 20.885 18.543 ( 0.336 -20.882 0.000) 20.885 18.799 ( -2.029 -28.948 0.000) 29.020 18.799 ( 2.029 -28.948 0.000) 29.020 19.330 ( -0.460 -0.507 0.000) 0.685 19.330 ( 0.460 -0.507 0.000) 0.685 19.691 ( -0.801 -26.259 0.000) 26.271 19.691 ( 0.801 -26.259 0.000) 26.271 20.165 ( -0.866 -3.482 0.000) 3.588 20.165 ( 0.866 -3.482 0.000) 3.588 21.071 ( -0.296 -3.609 0.000) 3.621 21.071 ( 0.296 -3.609 0.000) 3.621 23.351 ( -7.819 54.480 0.000) 55.039 23.351 ( 7.819 54.480 0.000) 55.039 23.708 ( -0.349 48.669 0.000) 48.670 23.708 ( 0.349 48.669 0.000) 48.670 29.409 ( -1.577 -52.679 0.000) 52.702 29.409 ( 1.577 -52.679 0.000) 52.702 29.744 ( -1.254 -54.798 0.000) 54.813 29.744 ( 1.254 -54.798 0.000) 54.813 35.826 ( -0.599 29.733 0.000) 29.739 35.826 ( 0.599 29.733 0.000) 29.739 36.759 ( -1.357 27.904 0.000) 27.937 36.759 ( 1.357 27.904 0.000) 27.937 37.643 ( -39.778 42.812 0.000) 58.440 37.643 ( 39.778 42.812 0.000) 58.440 37.703 ( -1.068 39.001 0.000) 39.016 37.703 ( 1.068 39.001 0.000) 39.016 42.006 ( -4.268 3.516 0.000) 5.530 42.006 ( 4.268 3.516 0.000) 5.530 42.909 ( -0.009 -2.973 0.000) 2.973 42.909 ( 0.009 -2.973 0.000) 2.973 43.715 ( -0.455 -13.849 0.000) 13.857 43.715 ( 0.455 -13.849 0.000) 13.857 44.645 ( -32.367 -38.229 0.000) 50.090 44.645 ( 32.367 -38.229 0.000) 50.090 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 22.633 0.000) 22.633 2.449 ( 0.000 10.737 0.000) 10.737 2.911 ( 0.000 13.513 0.000) 13.513 3.074 ( 0.000 -5.946 0.000) 5.946 3.089 ( 0.000 7.066 0.000) 7.066 3.366 ( 0.000 -1.234 0.000) 1.234 3.568 ( 0.000 7.167 0.000) 7.167 3.911 ( 0.000 -13.307 0.000) 13.307 3.958 ( 0.000 -6.613 0.000) 6.613 4.042 ( 0.000 -4.013 0.000) 4.013 4.417 ( 0.000 11.677 0.000) 11.677 4.701 ( 0.000 3.500 0.000) 3.500 4.923 ( 0.000 -8.586 0.000) 8.586 4.935 ( 0.000 -0.636 0.000) 0.636 5.140 ( 0.000 -2.729 0.000) 2.729 5.223 ( 0.000 1.485 0.000) 1.485 5.346 ( 0.000 3.184 0.000) 3.184 5.470 ( 0.000 -3.080 0.000) 3.080 5.659 ( 0.000 8.025 0.000) 8.025 5.794 ( 0.000 9.880 0.000) 9.880 6.066 ( 0.000 15.937 0.000) 15.937 6.226 ( 0.000 -7.144 0.000) 7.144 6.424 ( 0.000 -5.549 0.000) 5.549 6.563 ( 0.000 -2.678 0.000) 2.678 6.744 ( 0.000 24.669 0.000) 24.669 6.796 ( 0.000 -2.152 0.000) 2.152 7.056 ( 0.000 -19.863 0.000) 19.863 7.630 ( 0.000 10.769 0.000) 10.769 8.324 ( 0.000 4.580 0.000) 4.580 8.397 ( 0.000 -3.395 0.000) 3.395 8.462 ( 0.000 7.955 0.000) 7.955 8.566 ( 0.000 1.493 0.000) 1.493 8.678 ( 0.000 -1.191 0.000) 1.191 8.708 ( 0.000 -2.735 0.000) 2.735 9.409 ( 0.000 -4.233 0.000) 4.233 9.683 ( 0.000 -7.927 0.000) 7.927 11.510 ( 0.000 69.467 0.000) 69.467 11.628 ( 0.000 69.290 0.000) 69.290 11.759 ( 0.000 62.866 0.000) 62.866 11.772 ( 0.000 56.368 0.000) 56.368 12.087 ( 0.000 21.924 0.000) 21.924 12.304 ( 0.000 30.180 0.000) 30.180 12.306 ( 0.000 29.011 0.000) 29.011 13.171 ( 0.000 28.577 0.000) 28.577 15.583 ( 0.000 -36.219 0.000) 36.219 15.739 ( 0.000 -31.665 0.000) 31.665 15.863 ( 0.000 -36.477 0.000) 36.477 16.156 ( 0.000 -34.255 0.000) 34.255 17.830 ( 0.000 -48.315 0.000) 48.315 17.850 ( 0.000 -49.699 0.000) 49.699 17.988 ( 0.000 -47.200 0.000) 47.200 18.052 ( 0.000 -52.328 0.000) 52.328 19.298 ( 0.000 -1.307 0.000) 1.307 19.330 ( 0.000 -0.930 0.000) 0.930 19.334 ( 0.000 -10.493 0.000) 10.493 19.360 ( 0.000 -7.815 0.000) 7.815 20.207 ( 0.000 7.737 0.000) 7.737 20.243 ( 0.000 7.438 0.000) 7.438 20.953 ( 0.000 -7.324 0.000) 7.324 20.971 ( 0.000 -7.112 0.000) 7.112 24.252 ( 0.000 55.022 0.000) 55.022 24.616 ( 0.000 48.197 0.000) 48.197 24.684 ( 0.000 49.694 0.000) 49.694 24.688 ( 0.000 51.945 0.000) 51.945 28.359 ( 0.000 -50.998 0.000) 50.998 28.439 ( 0.000 -51.256 0.000) 51.256 28.638 ( 0.000 -54.634 0.000) 54.634 28.726 ( 0.000 -53.975 0.000) 53.975 36.373 ( 0.000 27.644 0.000) 27.644 36.433 ( 0.000 29.175 0.000) 29.175 37.136 ( 0.000 14.762 0.000) 14.762 37.222 ( 0.000 15.742 0.000) 15.742 37.608 ( 0.000 33.377 0.000) 33.377 38.225 ( 0.000 21.134 0.000) 21.134 38.450 ( 0.000 31.398 0.000) 31.398 39.682 ( 0.000 -7.290 0.000) 7.290 41.964 ( 0.000 11.059 0.000) 11.059 42.212 ( 0.000 6.777 0.000) 6.777 42.304 ( 0.000 10.317 0.000) 10.317 42.729 ( 0.000 -4.920 0.000) 4.920 43.375 ( 0.000 -8.684 0.000) 8.684 43.392 ( 0.000 -17.300 0.000) 17.300 43.664 ( 0.000 -5.453 0.000) 5.453 44.578 ( 0.000 -32.661 0.000) 32.661 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 7.846 20.004 0.000) 21.488 2.431 ( -3.301 11.134 0.000) 11.613 2.848 ( -2.409 8.501 0.000) 8.836 2.968 ( -5.914 -1.663 0.000) 6.144 3.186 ( 6.091 5.073 0.000) 7.927 3.492 ( 8.135 4.140 0.000) 9.128 3.544 ( -2.935 4.675 0.000) 5.520 3.870 ( -5.337 -2.907 0.000) 6.078 3.919 ( -6.418 5.603 0.000) 8.520 3.930 ( -0.930 -10.097 0.000) 10.139 4.346 ( 0.018 -4.827 0.000) 4.827 4.675 ( -14.451 -7.977 0.000) 16.507 4.947 ( 8.270 -2.895 0.000) 8.762 5.050 ( 14.043 6.546 0.000) 15.493 5.162 ( -3.359 -0.260 0.000) 3.369 5.216 ( 4.160 -3.081 0.000) 5.176 5.481 ( 1.521 0.225 0.000) 1.537 5.552 ( 9.821 10.455 0.000) 14.344 5.708 ( 1.755 6.323 0.000) 6.562 5.749 ( -2.867 11.906 0.000) 12.246 6.068 ( -1.198 13.564 0.000) 13.617 6.282 ( -0.695 -5.915 0.000) 5.956 6.348 ( -7.784 -3.800 0.000) 8.662 6.401 ( 2.223 -11.250 0.000) 11.467 6.699 ( -2.468 18.930 0.000) 19.090 6.893 ( 2.281 -0.045 0.000) 2.282 7.086 ( 2.712 -15.882 0.000) 16.112 7.471 ( -13.035 4.800 0.000) 13.891 8.400 ( -0.140 -1.038 0.000) 1.047 8.404 ( 2.202 2.582 0.000) 3.394 8.440 ( 3.357 8.204 0.000) 8.865 8.616 ( 3.053 2.868 0.000) 4.189 8.662 ( -1.321 -1.070 0.000) 1.700 8.698 ( -1.177 -0.374 0.000) 1.235 9.435 ( 2.314 -5.072 0.000) 5.575 9.616 ( -5.051 -7.571 0.000) 9.101 11.507 ( 0.685 67.379 0.000) 67.382 11.624 ( -0.321 69.707 0.000) 69.708 11.696 ( -3.503 66.273 0.000) 66.366 11.702 ( -5.499 56.627 0.000) 56.894 12.264 ( 6.591 23.727 0.000) 24.625 12.317 ( 0.639 30.318 0.000) 30.325 12.391 ( 12.934 26.958 0.000) 29.900 13.065 ( -9.701 26.148 0.000) 27.890 15.616 ( 2.611 -34.867 0.000) 34.965 15.722 ( -1.504 -31.909 0.000) 31.944 15.904 ( 3.708 -36.181 0.000) 36.371 16.113 ( -3.751 -34.497 0.000) 34.701 17.837 ( 0.551 -48.509 0.000) 48.512 17.852 ( 0.058 -49.490 0.000) 49.490 17.998 ( 0.866 -48.061 0.000) 48.069 18.043 ( -0.755 -51.692 0.000) 51.697 19.301 ( 0.298 -1.446 0.000) 1.476 19.321 ( -0.510 -2.915 0.000) 2.959 19.341 ( 0.402 -8.143 0.000) 8.152 19.357 ( -0.260 -7.981 0.000) 7.985 20.212 ( 0.477 7.700 0.000) 7.715 20.238 ( -0.460 7.488 0.000) 7.502 20.956 ( 0.231 -7.276 0.000) 7.280 20.969 ( -0.236 -7.128 0.000) 7.132 24.291 ( 3.659 54.989 0.000) 55.111 24.559 ( -5.723 50.739 0.000) 51.061 24.669 ( -0.560 50.984 0.000) 50.987 24.679 ( -0.415 49.755 0.000) 49.757 28.371 ( 1.046 -51.074 0.000) 51.084 28.428 ( -1.009 -51.254 0.000) 51.264 28.651 ( 1.073 -54.551 0.000) 54.562 28.712 ( -1.167 -54.084 0.000) 54.097 36.380 ( 0.643 27.844 0.000) 27.851 36.422 ( -0.907 28.918 0.000) 28.932 37.150 ( 1.172 14.826 0.000) 14.872 37.209 ( -1.056 15.452 0.000) 15.488 37.784 ( 16.228 32.236 0.000) 36.091 38.258 ( 2.892 22.536 0.000) 22.721 38.418 ( -2.803 29.849 0.000) 29.980 39.130 ( -39.562 10.451 0.000) 40.919 42.030 ( 3.466 8.965 0.000) 9.612 42.234 ( -5.227 8.940 0.000) 10.356 42.576 ( 23.073 -3.639 0.000) 23.358 42.795 ( 4.586 -3.254 0.000) 5.623 43.392 ( 1.477 -12.821 0.000) 12.906 43.399 ( 0.642 -17.202 0.000) 17.214 43.730 ( 8.137 -7.428 0.000) 11.017 44.444 ( -12.367 -30.573 0.000) 32.979 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -8.826 14.499 0.000) 16.974 2.288 ( 8.826 14.499 0.000) 16.974 2.861 ( -3.202 2.660 0.000) 4.163 2.861 ( 3.202 2.660 0.000) 4.163 3.362 ( -9.827 6.089 0.000) 11.561 3.362 ( 9.827 6.089 0.000) 11.561 3.705 ( -9.182 5.266 0.000) 10.585 3.705 ( 9.182 5.266 0.000) 10.585 3.898 ( -2.115 -3.023 0.000) 3.689 3.898 ( 2.115 -3.023 0.000) 3.689 4.428 ( -7.597 -8.668 0.000) 11.526 4.428 ( 7.597 -8.668 0.000) 11.526 5.068 ( -4.737 -2.135 0.000) 5.196 5.068 ( 4.737 -2.135 0.000) 5.196 5.273 ( -1.946 -4.718 0.000) 5.103 5.273 ( 1.946 -4.718 0.000) 5.103 5.594 ( -8.391 10.821 0.000) 13.694 5.594 ( 8.391 10.821 0.000) 13.694 5.698 ( -2.055 14.112 0.000) 14.261 5.698 ( 2.055 14.112 0.000) 14.261 6.078 ( -6.278 6.993 0.000) 9.398 6.078 ( 6.278 6.993 0.000) 9.398 6.434 ( -4.237 -14.350 0.000) 14.962 6.434 ( 4.237 -14.350 0.000) 14.962 6.797 ( -10.505 8.571 0.000) 13.558 6.797 ( 10.505 8.571 0.000) 13.558 7.197 ( -8.956 -8.070 0.000) 12.055 7.197 ( 8.956 -8.070 0.000) 12.055 8.395 ( -0.073 3.052 0.000) 3.053 8.395 ( 0.073 3.052 0.000) 3.053 8.586 ( -5.983 3.387 0.000) 6.876 8.586 ( 5.983 3.387 0.000) 6.876 8.669 ( -1.654 1.428 0.000) 2.185 8.669 ( 1.654 1.428 0.000) 2.185 9.508 ( -4.408 -6.593 0.000) 7.931 9.508 ( 4.408 -6.593 0.000) 7.931 11.566 ( -4.695 63.105 0.000) 63.279 11.566 ( 4.695 63.105 0.000) 63.279 11.643 ( -1.110 67.531 0.000) 67.540 11.643 ( 1.110 67.531 0.000) 67.540 12.318 ( -0.762 30.350 0.000) 30.360 12.318 ( 0.762 30.350 0.000) 30.360 12.766 ( -17.236 22.243 0.000) 28.139 12.766 ( 17.236 22.243 0.000) 28.139 15.676 ( -2.660 -32.883 0.000) 32.990 15.676 ( 2.660 -32.883 0.000) 32.990 16.009 ( -5.394 -35.281 0.000) 35.691 16.009 ( 5.394 -35.281 0.000) 35.691 17.848 ( -0.426 -48.979 0.000) 48.981 17.848 ( 0.426 -48.979 0.000) 48.981 18.021 ( -1.173 -50.002 0.000) 50.016 18.021 ( 1.173 -50.002 0.000) 50.016 19.310 ( -0.490 -1.971 0.000) 2.031 19.310 ( 0.490 -1.971 0.000) 2.031 19.350 ( -0.385 -8.239 0.000) 8.248 19.350 ( 0.385 -8.239 0.000) 8.248 20.225 ( -0.664 7.600 0.000) 7.629 20.225 ( 0.664 7.600 0.000) 7.629 20.962 ( -0.332 -7.186 0.000) 7.193 20.962 ( 0.332 -7.186 0.000) 7.193 24.409 ( -6.924 54.022 0.000) 54.464 24.409 ( 6.924 54.022 0.000) 54.464 24.669 ( -0.377 49.998 0.000) 50.000 24.669 ( 0.377 49.998 0.000) 50.000 28.400 ( -1.449 -51.201 0.000) 51.222 28.400 ( 1.449 -51.201 0.000) 51.222 28.681 ( -1.584 -54.330 0.000) 54.353 28.681 ( 1.584 -54.330 0.000) 54.353 36.399 ( -1.069 28.354 0.000) 28.374 36.399 ( 1.069 28.354 0.000) 28.374 37.180 ( -1.498 15.041 0.000) 15.115 37.180 ( 1.498 15.041 0.000) 15.115 38.299 ( -22.639 25.562 0.000) 34.146 38.299 ( 22.639 25.562 0.000) 34.146 38.353 ( -5.690 26.999 0.000) 27.592 38.353 ( 5.690 26.999 0.000) 27.592 42.119 ( -4.911 8.430 0.000) 9.756 42.119 ( 4.911 8.430 0.000) 9.756 42.846 ( -2.175 -3.432 0.000) 4.063 42.846 ( 2.175 -3.432 0.000) 4.063 43.411 ( -0.093 -16.882 0.000) 16.882 43.411 ( 0.093 -16.882 0.000) 16.882 44.070 ( -20.265 -21.512 0.000) 29.554 44.070 ( 20.265 -21.512 0.000) 29.554 ======================= Grid point 25 (16/105) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 0.000 18.910 0.000) 18.910 2.703 ( 0.000 13.081 0.000) 13.081 3.020 ( 0.000 0.443 0.000) 0.443 3.072 ( 0.000 4.577 0.000) 4.577 3.253 ( 0.000 8.823 0.000) 8.823 3.312 ( 0.000 -4.398 0.000) 4.398 3.613 ( 0.000 -16.004 0.000) 16.004 3.710 ( 0.000 6.940 0.000) 6.940 3.813 ( 0.000 -13.821 0.000) 13.821 3.874 ( 0.000 -2.721 0.000) 2.721 4.698 ( 0.000 -1.930 0.000) 1.930 4.720 ( 0.000 12.022 0.000) 12.022 4.767 ( 0.000 -6.765 0.000) 6.765 5.055 ( 0.000 11.433 0.000) 11.433 5.057 ( 0.000 -5.662 0.000) 5.662 5.307 ( 0.000 7.593 0.000) 7.593 5.311 ( 0.000 -4.899 0.000) 4.899 5.500 ( 0.000 7.969 0.000) 7.969 5.755 ( 0.000 2.428 0.000) 2.428 5.774 ( 0.000 -10.235 0.000) 10.235 6.095 ( 0.000 -5.276 0.000) 5.276 6.333 ( 0.000 10.994 0.000) 10.994 6.357 ( 0.000 -6.512 0.000) 6.512 6.522 ( 0.000 -0.812 0.000) 0.812 6.691 ( 0.000 -12.685 0.000) 12.685 6.741 ( 0.000 -3.699 0.000) 3.699 7.196 ( 0.000 21.073 0.000) 21.073 7.702 ( 0.000 -2.987 0.000) 2.987 8.346 ( 0.000 -1.715 0.000) 1.715 8.348 ( 0.000 -0.712 0.000) 0.712 8.573 ( 0.000 3.835 0.000) 3.835 8.606 ( 0.000 2.461 0.000) 2.461 8.662 ( 0.000 -1.980 0.000) 1.980 8.666 ( 0.000 -0.281 0.000) 0.281 9.344 ( 0.000 -2.000 0.000) 2.000 9.495 ( 0.000 -9.642 0.000) 9.642 12.538 ( 0.000 23.791 0.000) 23.791 12.747 ( 0.000 36.269 0.000) 36.269 12.782 ( 0.000 52.475 0.000) 52.475 12.858 ( 0.000 26.658 0.000) 26.658 12.884 ( 0.000 28.402 0.000) 28.402 12.904 ( 0.000 51.946 0.000) 51.946 13.006 ( 0.000 60.099 0.000) 60.099 13.638 ( 0.000 18.398 0.000) 18.398 15.129 ( 0.000 -3.919 0.000) 3.919 15.299 ( 0.000 -8.306 0.000) 8.306 15.360 ( 0.000 -8.616 0.000) 8.616 15.665 ( 0.000 -12.765 0.000) 12.765 16.756 ( 0.000 -60.447 0.000) 60.447 16.775 ( 0.000 -57.976 0.000) 57.976 16.914 ( 0.000 -61.779 0.000) 61.779 16.919 ( 0.000 -60.309 0.000) 60.309 19.238 ( 0.000 -1.305 0.000) 1.305 19.269 ( 0.000 -1.576 0.000) 1.576 19.288 ( 0.000 -1.063 0.000) 1.063 19.309 ( 0.000 -1.155 0.000) 1.155 20.391 ( 0.000 10.479 0.000) 10.479 20.423 ( 0.000 10.277 0.000) 10.277 20.790 ( 0.000 -9.314 0.000) 9.314 20.813 ( 0.000 -9.054 0.000) 9.054 25.320 ( 0.000 54.631 0.000) 54.631 25.557 ( 0.000 48.653 0.000) 48.653 25.645 ( 0.000 49.263 0.000) 49.263 25.688 ( 0.000 51.160 0.000) 51.160 27.373 ( 0.000 -50.956 0.000) 50.956 27.460 ( 0.000 -49.691 0.000) 49.691 27.597 ( 0.000 -52.433 0.000) 52.433 27.690 ( 0.000 -52.590 0.000) 52.590 36.855 ( 0.000 21.289 0.000) 21.289 36.944 ( 0.000 22.667 0.000) 22.667 37.286 ( 0.000 0.798 0.000) 0.798 37.390 ( 0.000 1.538 0.000) 1.538 38.138 ( 0.000 21.197 0.000) 21.197 38.475 ( 0.000 4.912 0.000) 4.912 38.960 ( 0.000 21.379 0.000) 21.379 39.520 ( 0.000 -9.574 0.000) 9.574 42.244 ( 0.000 17.046 0.000) 17.046 42.358 ( 0.000 8.300 0.000) 8.300 42.541 ( 0.000 13.959 0.000) 13.959 42.623 ( 0.000 -6.043 0.000) 6.043 43.028 ( 0.000 -19.873 0.000) 19.873 43.138 ( 0.000 -14.755 0.000) 14.755 43.639 ( 0.000 2.622 0.000) 2.622 44.060 ( 0.000 -20.697 0.000) 20.697 ======================= Grid point 26 (17/105) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 4.008 16.834 0.000) 17.305 2.674 ( -3.362 13.008 0.000) 13.436 2.909 ( -4.642 -1.716 0.000) 4.949 2.978 ( -5.602 1.397 0.000) 5.774 3.344 ( 5.773 10.215 0.000) 11.733 3.509 ( 11.541 -1.757 0.000) 11.674 3.620 ( -4.748 2.427 0.000) 5.332 3.684 ( 5.833 -12.504 0.000) 13.797 3.864 ( -0.703 -0.186 0.000) 0.728 3.879 ( 3.220 -6.184 0.000) 6.973 4.448 ( -9.850 10.239 0.000) 14.208 4.565 ( -12.550 -2.491 0.000) 12.795 4.935 ( 6.998 1.824 0.000) 7.232 5.061 ( 0.692 -3.216 0.000) 3.289 5.088 ( 1.625 -6.200 0.000) 6.409 5.159 ( -6.288 -3.204 0.000) 7.058 5.588 ( 7.620 9.325 0.000) 12.042 5.667 ( 18.841 1.667 0.000) 18.914 5.777 ( 1.317 2.724 0.000) 3.025 5.832 ( 5.150 -1.176 0.000) 5.282 6.133 ( 2.958 -6.880 0.000) 7.489 6.230 ( -4.751 -2.020 0.000) 5.163 6.344 ( -4.407 8.461 0.000) 9.540 6.351 ( -9.831 2.758 0.000) 10.210 6.714 ( 2.237 -14.675 0.000) 14.844 6.807 ( 1.403 -7.401 0.000) 7.533 7.099 ( -5.877 16.057 0.000) 17.099 7.490 ( -17.063 -2.957 0.000) 17.318 8.388 ( 2.694 -0.150 0.000) 2.698 8.412 ( 3.079 -0.762 0.000) 3.172 8.544 ( 1.936 3.419 0.000) 3.929 8.636 ( 0.362 -1.663 0.000) 1.701 8.681 ( 2.908 3.067 0.000) 4.226 8.709 ( 0.757 1.022 0.000) 1.272 9.351 ( 0.788 -2.953 0.000) 3.056 9.454 ( -3.204 -7.935 0.000) 8.558 12.640 ( 0.659 28.808 0.000) 28.816 12.642 ( -4.986 32.809 0.000) 33.185 12.759 ( 7.723 37.775 0.000) 38.556 12.883 ( -0.019 49.163 0.000) 49.163 12.897 ( -0.003 44.539 0.000) 44.539 12.978 ( 4.527 36.494 0.000) 36.774 13.066 ( 4.415 49.061 0.000) 49.259 13.510 ( -11.214 19.882 0.000) 22.826 15.177 ( 3.539 -4.264 0.000) 5.541 15.286 ( -1.207 -7.713 0.000) 7.806 15.397 ( 3.517 -10.039 0.000) 10.637 15.619 ( -4.066 -12.567 0.000) 13.209 16.760 ( 0.309 -60.218 0.000) 60.219 16.773 ( -0.198 -58.499 0.000) 58.500 16.917 ( 0.267 -61.403 0.000) 61.403 16.921 ( 0.130 -60.388 0.000) 60.389 19.243 ( 0.500 -1.274 0.000) 1.369 19.267 ( -0.245 -1.390 0.000) 1.411 19.287 ( 0.104 -1.217 0.000) 1.222 19.304 ( -0.380 -1.206 0.000) 1.264 20.396 ( 0.421 10.444 0.000) 10.452 20.418 ( -0.405 10.299 0.000) 10.307 20.794 ( 0.311 -9.262 0.000) 9.267 20.810 ( -0.279 -9.079 0.000) 9.084 25.353 ( 2.996 54.097 0.000) 54.180 25.530 ( -2.794 49.454 0.000) 49.533 25.643 ( -0.122 49.519 0.000) 49.519 25.664 ( -1.568 51.312 0.000) 51.336 27.386 ( 1.124 -50.718 0.000) 50.730 27.448 ( -1.095 -49.794 0.000) 49.806 27.609 ( 1.088 -52.553 0.000) 52.564 27.675 ( -1.317 -52.697 0.000) 52.714 36.866 ( 0.991 21.478 0.000) 21.501 36.928 ( -1.327 22.427 0.000) 22.466 37.301 ( 1.280 0.829 0.000) 1.525 37.373 ( -1.460 1.361 0.000) 1.996 38.283 ( 13.132 19.324 0.000) 23.364 38.541 ( 5.813 6.846 0.000) 8.981 38.885 ( -6.441 18.413 0.000) 19.507 39.227 ( -23.178 0.087 0.000) 23.178 42.270 ( 1.997 15.140 0.000) 15.271 42.432 ( -5.548 10.299 0.000) 11.698 42.558 ( 14.330 1.453 0.000) 14.404 42.742 ( 5.685 -1.481 0.000) 5.875 43.045 ( 1.491 -18.789 0.000) 18.848 43.126 ( -1.152 -14.569 0.000) 14.614 43.655 ( 2.265 -0.134 0.000) 2.269 43.974 ( -7.575 -18.002 0.000) 19.531 ======================= Grid point 27 (18/105) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -5.756 13.642 0.000) 14.807 2.563 ( 5.756 13.642 0.000) 14.807 2.889 ( -2.125 -0.747 0.000) 2.252 2.889 ( 2.125 -0.747 0.000) 2.252 3.472 ( -6.054 4.206 0.000) 7.372 3.472 ( 6.054 4.206 0.000) 7.372 3.735 ( -4.551 -2.328 0.000) 5.112 3.735 ( 4.551 -2.328 0.000) 5.112 3.889 ( -2.904 0.599 0.000) 2.965 3.889 ( 2.904 0.599 0.000) 2.965 4.363 ( -3.767 4.228 0.000) 5.663 4.363 ( 3.767 4.228 0.000) 5.663 5.033 ( -4.302 -2.185 0.000) 4.825 5.033 ( 4.302 -2.185 0.000) 4.825 5.096 ( -1.475 -11.130 0.000) 11.228 5.096 ( 1.475 -11.130 0.000) 11.228 5.751 ( -4.891 6.073 0.000) 7.798 5.751 ( 4.891 6.073 0.000) 7.798 5.912 ( -1.340 7.142 0.000) 7.267 5.912 ( 1.340 7.142 0.000) 7.267 6.185 ( -1.037 -10.018 0.000) 10.072 6.185 ( 1.037 -10.018 0.000) 10.072 6.242 ( -1.339 9.697 0.000) 9.789 6.242 ( 1.339 9.697 0.000) 9.789 6.772 ( -3.101 -10.659 0.000) 11.101 6.772 ( 3.101 -10.659 0.000) 11.101 7.131 ( -11.377 2.193 0.000) 11.586 7.131 ( 11.377 2.193 0.000) 11.586 8.428 ( -0.778 0.762 0.000) 1.089 8.428 ( 0.778 0.762 0.000) 1.089 8.629 ( -2.911 1.264 0.000) 3.174 8.629 ( 2.911 1.264 0.000) 3.174 8.706 ( -0.092 1.949 0.000) 1.951 8.706 ( 0.092 1.949 0.000) 1.951 9.386 ( -2.569 -5.286 0.000) 5.877 9.386 ( 2.569 -5.286 0.000) 5.877 12.594 ( -0.777 35.562 0.000) 35.570 12.594 ( 0.777 35.562 0.000) 35.570 12.884 ( -0.201 46.686 0.000) 46.686 12.884 ( 0.201 46.686 0.000) 46.686 12.998 ( -4.916 38.105 0.000) 38.421 12.998 ( 4.916 38.105 0.000) 38.421 13.218 ( -12.461 29.265 0.000) 31.807 13.218 ( 12.461 29.265 0.000) 31.807 15.246 ( -2.537 -5.936 0.000) 6.455 15.246 ( 2.537 -5.936 0.000) 6.455 15.505 ( -5.870 -11.825 0.000) 13.202 15.505 ( 5.870 -11.825 0.000) 13.202 16.767 ( -0.303 -59.512 0.000) 59.513 16.767 ( 0.303 -59.512 0.000) 59.513 16.922 ( -0.098 -60.752 0.000) 60.752 16.922 ( 0.098 -60.752 0.000) 60.752 19.257 ( -0.659 -1.236 0.000) 1.400 19.257 ( 0.659 -1.236 0.000) 1.400 19.294 ( -0.474 -1.303 0.000) 1.386 19.294 ( 0.474 -1.303 0.000) 1.386 20.407 ( -0.584 10.365 0.000) 10.382 20.407 ( 0.584 10.365 0.000) 10.382 20.802 ( -0.416 -9.157 0.000) 9.167 20.802 ( 0.416 -9.157 0.000) 9.167 25.441 ( -4.738 52.204 0.000) 52.418 25.441 ( 4.738 52.204 0.000) 52.418 25.643 ( -0.344 50.324 0.000) 50.325 25.643 ( 0.344 50.324 0.000) 50.325 27.417 ( -1.584 -50.189 0.000) 50.214 27.417 ( 1.584 -50.189 0.000) 50.214 27.641 ( -1.683 -52.738 0.000) 52.765 27.641 ( 1.683 -52.738 0.000) 52.765 36.895 ( -1.589 21.933 0.000) 21.991 36.895 ( 1.589 21.933 0.000) 21.991 37.336 ( -1.812 1.006 0.000) 2.073 37.336 ( 1.812 1.006 0.000) 2.073 38.662 ( -11.383 12.155 0.000) 16.653 38.662 ( 11.383 12.155 0.000) 16.653 38.737 ( -3.284 12.713 0.000) 13.131 38.737 ( 3.284 12.713 0.000) 13.131 42.331 ( -3.719 12.922 0.000) 13.447 42.331 ( 3.719 12.922 0.000) 13.447 42.779 ( -3.880 -3.580 0.000) 5.279 42.779 ( 3.880 -3.580 0.000) 5.279 43.088 ( -2.231 -15.438 0.000) 15.599 43.088 ( 2.231 -15.438 0.000) 15.599 43.777 ( -8.898 -9.413 0.000) 12.952 43.777 ( 8.898 -9.413 0.000) 12.952 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 0.000 -11.594 0.000) 11.594 2.716 ( 0.000 11.594 0.000) 11.594 3.183 ( 0.000 -15.712 0.000) 15.712 3.183 ( 0.000 15.712 0.000) 15.712 3.197 ( 0.000 -7.035 0.000) 7.035 3.197 ( 0.000 7.035 0.000) 7.035 3.558 ( 0.000 -11.245 0.000) 11.245 3.558 ( 0.000 11.245 0.000) 11.245 3.818 ( 0.000 -3.887 0.000) 3.887 3.818 ( 0.000 3.887 0.000) 3.887 4.684 ( 0.000 -1.442 0.000) 1.442 4.684 ( 0.000 1.442 0.000) 1.442 4.914 ( 0.000 -8.921 0.000) 8.921 4.914 ( 0.000 8.921 0.000) 8.921 5.213 ( 0.000 -5.180 0.000) 5.180 5.213 ( 0.000 5.180 0.000) 5.180 5.518 ( 0.000 -13.531 0.000) 13.531 5.518 ( 0.000 13.531 0.000) 13.531 5.727 ( 0.000 -8.224 0.000) 8.224 5.727 ( 0.000 8.224 0.000) 8.224 6.108 ( 0.000 -10.211 0.000) 10.211 6.108 ( 0.000 10.211 0.000) 10.211 6.482 ( 0.000 -4.405 0.000) 4.405 6.482 ( 0.000 4.405 0.000) 4.405 6.658 ( 0.000 -4.094 0.000) 4.094 6.658 ( 0.000 4.094 0.000) 4.094 7.537 ( 0.000 -13.493 0.000) 13.493 7.537 ( 0.000 13.493 0.000) 13.493 8.333 ( 0.000 -0.313 0.000) 0.313 8.333 ( 0.000 0.313 0.000) 0.313 8.626 ( 0.000 -1.978 0.000) 1.978 8.626 ( 0.000 1.978 0.000) 1.978 8.650 ( 0.000 -1.680 0.000) 1.680 8.650 ( 0.000 1.680 0.000) 1.680 9.357 ( 0.000 -3.888 0.000) 3.888 9.357 ( 0.000 3.888 0.000) 3.888 12.933 ( 0.000 -12.597 0.000) 12.597 12.933 ( 0.000 12.597 0.000) 12.597 13.231 ( 0.000 -5.703 0.000) 5.703 13.231 ( 0.000 5.703 0.000) 5.703 13.307 ( 0.000 -9.293 0.000) 9.293 13.307 ( 0.000 9.293 0.000) 9.293 13.764 ( 0.000 -11.955 0.000) 11.955 13.764 ( 0.000 11.955 0.000) 11.955 15.623 ( 0.000 -50.573 0.000) 50.573 15.623 ( 0.000 50.573 0.000) 50.573 15.687 ( 0.000 -47.446 0.000) 47.446 15.687 ( 0.000 47.446 0.000) 47.446 15.793 ( 0.000 -49.354 0.000) 49.354 15.793 ( 0.000 49.354 0.000) 49.354 15.872 ( 0.000 -37.257 0.000) 37.257 15.872 ( 0.000 37.257 0.000) 37.257 19.241 ( 0.000 -1.120 0.000) 1.120 19.241 ( 0.000 1.120 0.000) 1.120 19.289 ( 0.000 -0.780 0.000) 0.780 19.289 ( 0.000 0.780 0.000) 0.780 20.597 ( 0.000 -10.462 0.000) 10.462 20.597 ( 0.000 10.462 0.000) 10.462 20.625 ( 0.000 -10.222 0.000) 10.222 20.625 ( 0.000 10.222 0.000) 10.222 26.366 ( 0.000 -52.952 0.000) 52.952 26.366 ( 0.000 52.952 0.000) 52.952 26.504 ( 0.000 -48.911 0.000) 48.911 26.504 ( 0.000 48.911 0.000) 48.911 26.605 ( 0.000 -49.944 0.000) 49.944 26.605 ( 0.000 49.944 0.000) 49.944 26.682 ( 0.000 -51.375 0.000) 51.375 26.682 ( 0.000 51.375 0.000) 51.375 37.178 ( 0.000 -11.534 0.000) 11.534 37.178 ( 0.000 11.534 0.000) 11.534 37.286 ( 0.000 -11.968 0.000) 11.968 37.286 ( 0.000 11.968 0.000) 11.968 38.432 ( 0.000 -8.956 0.000) 8.956 38.432 ( 0.000 8.956 0.000) 8.956 39.297 ( 0.000 -13.898 0.000) 13.898 39.297 ( 0.000 13.898 0.000) 13.898 42.491 ( 0.000 -7.686 0.000) 7.686 42.491 ( 0.000 7.686 0.000) 7.686 42.635 ( 0.000 -20.009 0.000) 20.009 42.635 ( 0.000 20.009 0.000) 20.009 42.835 ( 0.000 -15.874 0.000) 15.874 42.835 ( 0.000 15.874 0.000) 15.874 43.763 ( 0.000 -10.405 0.000) 10.405 43.763 ( 0.000 10.405 0.000) 10.405 ======================= Grid point 32 (20/105) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 1.560 -10.399 0.000) 10.515 2.732 ( 1.560 10.399 0.000) 10.515 2.939 ( -9.013 -5.158 0.000) 10.385 2.939 ( -9.013 5.158 0.000) 10.385 3.507 ( 8.350 -3.223 0.000) 8.951 3.507 ( 8.350 3.223 0.000) 8.951 3.548 ( 4.911 -8.703 0.000) 9.993 3.548 ( 4.911 8.703 0.000) 9.993 3.841 ( 1.642 -0.968 0.000) 1.906 3.841 ( 1.642 0.968 0.000) 1.906 4.563 ( -6.578 -0.026 0.000) 6.579 4.563 ( -6.578 0.026 0.000) 6.579 4.976 ( 1.023 -2.199 0.000) 2.426 4.976 ( 1.023 2.199 0.000) 2.426 5.075 ( -7.995 -1.410 0.000) 8.119 5.075 ( -7.995 1.410 0.000) 8.119 5.682 ( 11.501 -0.077 0.000) 11.501 5.682 ( 11.501 0.077 0.000) 11.501 5.828 ( 7.380 -0.061 0.000) 7.380 5.828 ( 7.380 0.061 0.000) 7.380 6.114 ( -0.169 -2.547 0.000) 2.553 6.114 ( -0.169 2.547 0.000) 2.553 6.407 ( -3.324 -0.975 0.000) 3.464 6.407 ( -3.324 0.975 0.000) 3.464 6.648 ( -2.474 -3.703 0.000) 4.453 6.648 ( -2.474 3.703 0.000) 4.453 7.361 ( -13.190 -9.501 0.000) 16.256 7.361 ( -13.190 9.501 0.000) 16.256 8.395 ( 3.624 -0.063 0.000) 3.625 8.395 ( 3.624 0.063 0.000) 3.625 8.597 ( 1.275 -0.310 0.000) 1.312 8.597 ( 1.275 0.310 0.000) 1.312 8.718 ( 2.106 -0.086 0.000) 2.108 8.718 ( 2.106 0.086 0.000) 2.108 9.344 ( -0.974 -2.584 0.000) 2.762 9.344 ( -0.974 2.584 0.000) 2.762 12.942 ( 0.852 -2.892 0.000) 3.015 12.942 ( 0.852 2.892 0.000) 3.015 13.232 ( -1.511 -7.487 0.000) 7.637 13.232 ( -1.511 7.487 0.000) 7.637 13.351 ( 5.120 -0.148 0.000) 5.122 13.351 ( 5.120 0.148 0.000) 5.122 13.730 ( -3.034 -7.474 0.000) 8.066 13.730 ( -3.034 7.474 0.000) 8.066 15.631 ( 0.556 -43.097 0.000) 43.101 15.631 ( 0.556 43.097 0.000) 43.101 15.668 ( -1.146 -33.333 0.000) 33.353 15.668 ( -1.146 33.333 0.000) 33.353 15.812 ( 1.275 -33.947 0.000) 33.971 15.812 ( 1.275 33.947 0.000) 33.971 15.866 ( -0.575 -32.936 0.000) 32.941 15.866 ( -0.575 32.936 0.000) 32.941 19.245 ( 0.343 -0.938 0.000) 0.999 19.245 ( 0.343 0.938 0.000) 0.999 19.284 ( -0.352 -0.697 0.000) 0.781 19.284 ( -0.352 0.697 0.000) 0.781 20.599 ( 0.160 -8.518 0.000) 8.519 20.599 ( 0.160 8.518 0.000) 8.519 20.623 ( -0.130 -8.348 0.000) 8.349 20.623 ( -0.130 8.348 0.000) 8.349 26.381 ( 1.275 -46.968 0.000) 46.985 26.381 ( 1.275 46.968 0.000) 46.985 26.491 ( -0.972 -42.571 0.000) 42.582 26.491 ( -0.972 42.571 0.000) 42.582 26.600 ( -0.548 -33.337 0.000) 33.342 26.600 ( -0.548 33.337 0.000) 33.342 26.674 ( -0.404 -35.889 0.000) 35.891 26.674 ( -0.404 35.889 0.000) 35.891 37.191 ( 1.182 -11.426 0.000) 11.487 37.191 ( 1.182 11.426 0.000) 11.487 37.268 ( -1.517 -11.694 0.000) 11.792 37.268 ( -1.517 11.694 0.000) 11.792 38.537 ( 9.431 -6.863 0.000) 11.664 38.537 ( 9.431 6.863 0.000) 11.664 39.144 ( -12.767 -8.592 0.000) 15.389 39.144 ( -12.767 8.592 0.000) 15.389 42.520 ( 1.562 -4.373 0.000) 4.644 42.520 ( 1.562 4.373 0.000) 4.644 42.669 ( 2.488 -12.933 0.000) 13.170 42.669 ( 2.488 12.933 0.000) 13.170 42.860 ( 2.450 -10.173 0.000) 10.464 42.860 ( 2.450 10.173 0.000) 10.464 43.728 ( -2.711 -7.827 0.000) 8.283 43.728 ( -2.711 7.827 0.000) 8.283 ======================= Grid point 34 (21/105) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -0.000 -0.000 0.000) 0.000 2.782 ( -0.000 0.000 0.000) 0.000 2.807 ( 0.000 -0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 -0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 -0.000 0.000) 0.000 4.487 ( 0.000 -0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.834 ( -0.000 -0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.397 ( 0.000 -0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 7.166 ( -0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.728 ( -0.000 0.000 0.000) 0.000 8.728 ( 0.000 0.000 0.000) 0.000 9.330 ( -0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 12.957 ( -0.000 0.000 0.000) 0.000 12.957 ( 0.000 0.000 0.000) 0.000 13.203 ( -0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.440 ( 0.000 0.000 0.000) 0.000 13.440 ( 0.000 0.000 0.000) 0.000 13.674 ( 0.000 -0.000 0.000) 0.000 13.674 ( 0.000 -0.000 0.000) 0.000 15.637 ( -0.000 0.000 0.000) 0.000 15.637 ( 0.000 0.000 0.000) 0.000 15.656 ( 0.000 -0.000 0.000) 0.000 15.656 ( -0.000 0.000 0.000) 0.000 15.830 ( 0.000 0.000 0.000) 0.000 15.830 ( 0.000 0.000 0.000) 0.000 15.855 ( 0.000 -0.000 0.000) 0.000 15.855 ( 0.000 -0.000 0.000) 0.000 19.251 ( 0.000 -0.000 0.000) 0.000 19.251 ( 0.000 0.000 0.000) 0.000 19.279 ( -0.000 0.000 0.000) 0.000 19.279 ( 0.000 0.000 0.000) 0.000 20.601 ( 0.000 -0.000 0.000) 0.000 20.601 ( 0.000 0.000 0.000) 0.000 20.621 ( 0.000 -0.000 0.000) 0.000 20.621 ( 0.000 0.000 0.000) 0.000 26.403 ( 0.000 -0.000 0.000) 0.000 26.403 ( -0.000 0.000 0.000) 0.000 26.476 ( 0.000 -0.000 0.000) 0.000 26.476 ( 0.000 0.000 0.000) 0.000 26.590 ( 0.000 -0.000 0.000) 0.000 26.590 ( 0.000 0.000 0.000) 0.000 26.671 ( 0.000 -0.000 0.000) 0.000 26.671 ( 0.000 0.000 0.000) 0.000 37.219 ( 0.000 0.000 0.000) 0.000 37.219 ( -0.000 0.000 0.000) 0.000 37.236 ( 0.000 -0.000 0.000) 0.000 37.236 ( -0.000 -0.000 0.000) 0.000 38.779 ( -0.000 0.000 0.000) 0.000 38.779 ( 0.000 0.000 0.000) 0.000 38.858 ( -0.000 0.000 0.000) 0.000 38.858 ( 0.000 0.000 0.000) 0.000 42.537 ( -0.000 0.000 0.000) 0.000 42.537 ( 0.000 0.000 0.000) 0.000 42.699 ( 0.000 -0.000 0.000) 0.000 42.699 ( 0.000 -0.000 0.000) 0.000 42.905 ( 0.000 -0.000 0.000) 0.000 42.905 ( 0.000 0.000 0.000) 0.000 43.688 ( -0.000 0.000 0.000) 0.000 43.688 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 65 (22/105) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 0.000 0.000 22.338) 22.338 0.612 ( 0.000 0.000 29.995) 29.995 1.086 ( 0.000 0.000 50.840) 50.840 2.327 ( 0.000 0.000 14.706) 14.706 2.467 ( 0.000 0.000 -2.787) 2.787 2.613 ( 0.000 0.000 3.324) 3.324 2.933 ( 0.000 0.000 1.797) 1.797 3.281 ( 0.000 0.000 -2.023) 2.023 3.370 ( 0.000 0.000 -9.191) 9.191 3.861 ( 0.000 0.000 -2.856) 2.856 3.917 ( 0.000 0.000 5.448) 5.448 3.975 ( 0.000 0.000 0.588) 0.588 4.589 ( 0.000 0.000 -1.425) 1.425 4.663 ( 0.000 0.000 -3.440) 3.440 4.754 ( 0.000 0.000 -2.880) 2.880 4.947 ( 0.000 0.000 -5.797) 5.797 5.104 ( 0.000 0.000 0.706) 0.706 5.142 ( 0.000 0.000 5.169) 5.169 5.241 ( 0.000 0.000 -0.376) 0.376 5.298 ( 0.000 0.000 3.111) 3.111 5.370 ( 0.000 0.000 9.876) 9.876 5.515 ( 0.000 0.000 -10.500) 10.500 6.065 ( 0.000 0.000 -1.765) 1.765 6.176 ( 0.000 0.000 9.197) 9.197 6.651 ( 0.000 0.000 5.246) 5.246 6.760 ( 0.000 0.000 10.990) 10.990 6.806 ( 0.000 0.000 5.459) 5.459 7.329 ( 0.000 0.000 -10.564) 10.564 8.197 ( 0.000 0.000 -23.513) 23.513 8.424 ( 0.000 0.000 -8.582) 8.582 8.472 ( 0.000 0.000 -14.076) 14.076 8.640 ( 0.000 0.000 -11.219) 11.219 8.827 ( 0.000 0.000 2.703) 2.703 9.029 ( 0.000 0.000 9.719) 9.719 9.211 ( 0.000 0.000 0.917) 0.917 9.543 ( 0.000 0.000 -0.440) 0.440 9.581 ( 0.000 0.000 6.793) 6.793 9.687 ( 0.000 0.000 -3.930) 3.930 10.435 ( 0.000 0.000 14.600) 14.600 10.680 ( 0.000 0.000 0.762) 0.762 10.770 ( 0.000 0.000 0.833) 0.833 10.942 ( 0.000 0.000 0.646) 0.646 11.111 ( 0.000 0.000 0.390) 0.390 11.211 ( 0.000 0.000 -0.200) 0.200 18.396 ( 0.000 0.000 0.986) 0.986 18.541 ( 0.000 0.000 0.600) 0.600 18.617 ( 0.000 0.000 -0.777) 0.777 18.638 ( 0.000 0.000 0.538) 0.538 18.841 ( 0.000 0.000 0.955) 0.955 18.917 ( 0.000 0.000 0.622) 0.622 19.017 ( 0.000 0.000 -0.719) 0.719 19.098 ( 0.000 0.000 -0.657) 0.657 19.362 ( 0.000 0.000 11.091) 11.091 20.500 ( 0.000 0.000 -0.107) 0.107 20.556 ( 0.000 0.000 -0.138) 0.138 20.715 ( 0.000 0.000 0.595) 0.595 20.734 ( 0.000 0.000 1.137) 1.137 20.737 ( 0.000 0.000 -1.620) 1.620 20.888 ( 0.000 0.000 -1.022) 1.022 20.935 ( 0.000 0.000 -0.279) 0.279 21.314 ( 0.000 0.000 2.682) 2.682 21.877 ( 0.000 0.000 0.320) 0.320 21.943 ( 0.000 0.000 -1.321) 1.321 22.005 ( 0.000 0.000 -0.571) 0.571 31.885 ( 0.000 0.000 0.338) 0.338 31.912 ( 0.000 0.000 -0.071) 0.071 31.926 ( 0.000 0.000 0.071) 0.071 31.930 ( 0.000 0.000 0.267) 0.267 34.721 ( 0.000 0.000 0.145) 0.145 34.724 ( 0.000 0.000 0.131) 0.131 34.755 ( 0.000 0.000 -0.113) 0.113 34.766 ( 0.000 0.000 -0.222) 0.222 35.264 ( 0.000 0.000 0.724) 0.724 35.429 ( 0.000 0.000 0.419) 0.419 35.433 ( 0.000 0.000 -0.532) 0.532 35.467 ( 0.000 0.000 0.107) 0.107 41.846 ( 0.000 0.000 -3.672) 3.672 41.863 ( 0.000 0.000 -0.762) 0.762 42.204 ( 0.000 0.000 15.593) 15.593 42.986 ( 0.000 0.000 3.012) 3.012 43.093 ( 0.000 0.000 3.119) 3.119 44.039 ( 0.000 0.000 -8.498) 8.498 44.243 ( 0.000 0.000 -4.528) 4.528 46.819 ( 0.000 0.000 -29.046) 29.046 ======================= Grid point 66 (23/105) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 21.534 0.000 25.092) 33.066 1.167 ( 44.057 0.000 8.191) 44.812 1.948 ( 37.827 0.000 18.550) 42.131 2.075 ( 7.071 0.000 16.647) 18.087 2.565 ( -7.626 0.000 2.424) 8.002 2.573 ( 10.754 0.000 -0.273) 10.757 2.980 ( -0.611 0.000 2.066) 2.155 3.165 ( -7.486 0.000 -3.691) 8.346 3.328 ( -18.284 0.000 0.033) 18.284 3.639 ( 11.357 0.000 -1.888) 11.513 3.964 ( 9.986 0.000 -3.015) 10.431 4.345 ( -20.548 0.000 3.800) 20.896 4.386 ( -10.934 0.000 0.633) 10.953 4.430 ( 14.097 0.000 -2.240) 14.274 4.778 ( -0.059 0.000 -2.735) 2.735 4.923 ( -4.080 0.000 -3.579) 5.427 5.003 ( -18.185 0.000 -1.769) 18.271 5.135 ( -15.876 0.000 1.558) 15.952 5.141 ( 3.240 0.000 0.611) 3.297 5.295 ( -3.563 0.000 1.533) 3.878 5.309 ( 1.846 0.000 3.753) 4.183 5.541 ( -22.681 0.000 10.504) 24.995 5.724 ( 14.061 0.000 -1.539) 14.145 6.161 ( -2.617 0.000 8.475) 8.869 6.649 ( 1.139 0.000 3.565) 3.743 6.801 ( -1.361 0.000 7.359) 7.484 7.040 ( 22.168 0.000 -15.488) 27.042 7.904 ( -24.770 0.000 -1.027) 24.791 8.063 ( 38.650 0.000 -4.137) 38.870 8.146 ( -3.449 0.000 -21.649) 21.922 8.293 ( -10.669 0.000 -12.266) 16.257 8.693 ( 4.816 0.000 3.334) 5.857 8.821 ( -3.842 0.000 10.034) 10.744 9.003 ( 11.006 0.000 -0.722) 11.029 9.380 ( -13.257 0.000 -2.907) 13.572 9.417 ( -8.766 0.000 0.221) 8.769 9.889 ( 11.911 0.000 3.517) 12.419 9.945 ( 25.079 0.000 -18.845) 31.371 10.353 ( -7.204 0.000 12.501) 14.428 10.657 ( -10.545 0.000 1.743) 10.688 10.802 ( 2.001 0.000 -0.530) 2.070 10.845 ( 6.273 0.000 1.053) 6.361 11.083 ( -4.404 0.000 1.511) 4.656 11.153 ( -5.143 0.000 0.135) 5.145 18.418 ( 1.892 0.000 0.895) 2.093 18.520 ( -1.822 0.000 0.618) 1.924 18.613 ( -0.191 0.000 0.113) 0.222 18.629 ( -0.603 0.000 0.419) 0.735 18.857 ( 1.225 0.000 0.816) 1.472 18.910 ( -0.757 0.000 0.729) 1.051 19.030 ( 1.152 0.000 -0.680) 1.338 19.088 ( -0.939 0.000 -0.636) 1.134 19.377 ( 1.780 0.000 12.426) 12.553 19.896 ( -37.075 0.000 36.531) 52.048 20.505 ( 0.469 0.000 -0.167) 0.497 20.544 ( -0.971 0.000 -0.196) 0.990 20.718 ( 0.233 0.000 0.683) 0.722 20.731 ( -0.235 0.000 1.069) 1.094 20.904 ( 0.639 0.000 -0.305) 0.708 20.935 ( -0.463 0.000 0.019) 0.463 21.310 ( -0.038 0.000 2.672) 2.672 21.388 ( -7.196 0.000 8.680) 11.275 21.951 ( 0.782 0.000 -1.277) 1.498 21.996 ( -0.830 0.000 -0.751) 1.119 31.898 ( 0.615 0.000 0.197) 0.646 31.915 ( 0.278 0.000 -0.012) 0.278 31.923 ( -0.373 0.000 0.227) 0.437 31.928 ( -0.176 0.000 0.227) 0.288 34.721 ( -0.027 0.000 0.139) 0.142 34.723 ( -0.109 0.000 0.134) 0.173 34.756 ( 0.124 0.000 -0.166) 0.208 34.763 ( -0.157 0.000 -0.210) 0.263 35.289 ( 2.189 0.000 0.686) 2.294 35.406 ( -2.054 0.000 0.472) 2.108 35.452 ( 0.580 0.000 -0.860) 1.037 35.468 ( -0.118 0.000 0.002) 0.118 41.900 ( 4.758 0.000 -0.935) 4.849 42.153 ( -4.451 0.000 12.593) 13.357 43.003 ( 1.434 0.000 3.346) 3.640 43.078 ( -1.311 0.000 3.344) 3.591 43.855 ( 20.579 0.000 -29.806) 36.220 44.030 ( -0.877 0.000 -8.963) 9.006 45.283 ( 90.886 0.000 -94.706) 131.262 46.747 ( -7.301 0.000 -34.749) 35.508 ======================= Grid point 67 (24/105) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -24.562 0.000 18.096) 30.508 1.517 ( 24.562 0.000 18.096) 30.508 2.073 ( -36.570 0.000 3.461) 36.733 2.073 ( 36.570 0.000 3.461) 36.733 2.822 ( -11.635 0.000 -1.075) 11.685 2.822 ( 11.635 0.000 -1.075) 11.685 3.090 ( -3.714 0.000 -0.673) 3.774 3.090 ( 3.714 0.000 -0.673) 3.774 3.481 ( -61.513 0.000 9.008) 62.169 3.481 ( 61.513 0.000 9.008) 62.169 4.007 ( -18.965 0.000 -2.667) 19.151 4.007 ( 18.965 0.000 -2.667) 19.151 4.288 ( -20.731 0.000 -3.039) 20.953 4.288 ( 20.731 0.000 -3.039) 20.953 4.750 ( -11.608 0.000 -1.922) 11.766 4.750 ( 11.608 0.000 -1.922) 11.766 4.931 ( -6.697 0.000 2.023) 6.996 4.931 ( 6.697 0.000 2.023) 6.996 5.221 ( -3.620 0.000 0.481) 3.652 5.221 ( 3.620 0.000 0.481) 3.652 5.365 ( -3.259 0.000 6.245) 7.044 5.365 ( 3.259 0.000 6.245) 7.044 6.014 ( -11.067 0.000 3.895) 11.733 6.014 ( 11.067 0.000 3.895) 11.733 6.726 ( -4.966 0.000 5.999) 7.788 6.726 ( 4.966 0.000 5.999) 7.788 7.464 ( -18.158 0.000 -9.392) 20.443 7.464 ( 18.158 0.000 -9.392) 20.443 8.130 ( -3.372 0.000 -16.320) 16.665 8.130 ( 3.372 0.000 -16.320) 16.665 8.645 ( -12.237 0.000 5.037) 13.233 8.645 ( 12.237 0.000 5.037) 13.233 8.984 ( -20.105 0.000 -1.384) 20.153 8.984 ( 20.105 0.000 -1.384) 20.153 9.225 ( -9.377 0.000 -1.419) 9.483 9.225 ( 9.377 0.000 -1.419) 9.483 10.147 ( -11.296 0.000 8.260) 13.994 10.147 ( 11.296 0.000 8.260) 13.994 10.352 ( -15.500 0.000 -7.573) 17.252 10.352 ( 15.500 0.000 -7.573) 17.252 10.943 ( -7.692 0.000 1.344) 7.809 10.943 ( 7.692 0.000 1.344) 7.809 11.006 ( -7.832 0.000 0.758) 7.868 11.006 ( 7.832 0.000 0.758) 7.868 18.469 ( -2.622 0.000 0.720) 2.719 18.469 ( 2.622 0.000 0.720) 2.719 18.616 ( -0.473 0.000 0.347) 0.586 18.616 ( 0.473 0.000 0.347) 0.586 18.886 ( -1.340 0.000 0.838) 1.580 18.886 ( 1.340 0.000 0.838) 1.580 19.061 ( -1.480 0.000 -0.629) 1.608 19.061 ( 1.480 0.000 -0.629) 1.608 19.474 ( -8.602 0.000 19.048) 20.900 19.474 ( 8.602 0.000 19.048) 20.900 20.521 ( -0.977 0.000 -0.240) 1.007 20.521 ( 0.977 0.000 -0.240) 1.007 20.725 ( -0.359 0.000 0.885) 0.955 20.725 ( 0.359 0.000 0.885) 0.955 20.920 ( -0.779 0.000 -0.025) 0.779 20.920 ( 0.779 0.000 -0.025) 0.779 21.323 ( -1.262 0.000 3.318) 3.551 21.323 ( 1.262 0.000 3.318) 3.551 21.973 ( -1.135 0.000 -1.082) 1.568 21.973 ( 1.135 0.000 -1.082) 1.568 31.911 ( -0.644 0.000 0.301) 0.711 31.911 ( 0.644 0.000 0.301) 0.711 31.922 ( -0.321 0.000 0.118) 0.342 31.922 ( 0.321 0.000 0.118) 0.342 34.721 ( -0.049 0.000 0.135) 0.144 34.721 ( 0.049 0.000 0.135) 0.144 34.759 ( -0.200 0.000 -0.204) 0.286 34.759 ( 0.200 0.000 -0.204) 0.286 35.348 ( -2.989 0.000 0.588) 3.046 35.348 ( 2.989 0.000 0.588) 3.046 35.462 ( -0.390 0.000 -0.306) 0.496 35.462 ( 0.390 0.000 -0.306) 0.496 42.029 ( -6.484 0.000 5.713) 8.642 42.029 ( 6.484 0.000 5.713) 8.642 43.041 ( -1.913 0.000 3.609) 4.085 43.041 ( 1.913 0.000 3.609) 4.085 43.999 ( -2.251 0.000 -11.123) 11.349 43.999 ( 2.251 0.000 -11.123) 11.349 46.429 ( -25.788 0.000 -57.492) 63.011 46.429 ( 25.788 0.000 -57.492) 63.011 ======================= Grid point 70 (25/105) ======================= q-point: ( 0.00 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 37.472 16.610) 40.988 1.129 ( 0.000 13.073 40.343) 42.408 1.909 ( 0.000 82.827 7.962) 83.209 2.327 ( 0.000 0.155 12.474) 12.475 2.782 ( 0.000 12.072 3.366) 12.533 2.969 ( 0.000 44.377 -1.881) 44.417 3.152 ( 0.000 15.886 0.919) 15.913 3.349 ( 0.000 5.401 -2.329) 5.882 3.398 ( 0.000 2.970 -7.616) 8.175 3.922 ( 0.000 -2.335 5.148) 5.653 4.192 ( 0.000 31.713 -5.069) 32.116 4.259 ( 0.000 27.921 0.209) 27.921 4.435 ( 0.000 -10.396 -4.282) 11.243 4.529 ( 0.000 6.379 4.500) 7.807 4.888 ( 0.000 9.048 -1.558) 9.181 5.042 ( 0.000 -6.226 0.164) 6.229 5.185 ( 0.000 8.107 1.849) 8.315 5.206 ( 0.000 -2.884 -2.405) 3.755 5.241 ( 0.000 -5.221 1.555) 5.447 5.313 ( 0.000 4.109 4.812) 6.327 5.520 ( 0.000 0.167 -9.204) 9.205 5.896 ( 0.000 38.736 -38.005) 54.267 5.957 ( 0.000 -8.810 1.036) 8.871 6.145 ( 0.000 -3.230 10.160) 10.661 6.618 ( 0.000 -7.461 9.333) 11.949 6.705 ( 0.000 5.302 3.167) 6.176 6.899 ( 0.000 3.430 6.536) 7.381 7.377 ( 0.000 5.438 -8.849) 10.386 8.126 ( 0.000 -7.450 -21.464) 22.720 8.377 ( 0.000 -19.718 5.904) 20.583 8.398 ( 0.000 -2.105 -11.915) 12.099 8.466 ( 0.000 -0.837 -11.294) 11.325 8.846 ( 0.000 1.689 8.601) 8.765 9.009 ( 0.000 -1.765 9.745) 9.903 9.113 ( 0.000 0.075 4.557) 4.558 9.589 ( 0.000 5.216 -0.442) 5.235 9.628 ( 0.000 2.861 6.834) 7.409 9.796 ( 0.000 7.304 -1.276) 7.415 10.322 ( 0.000 -8.326 13.056) 15.485 10.666 ( 0.000 -10.322 9.233) 13.849 10.829 ( 0.000 14.620 1.237) 14.672 10.905 ( 0.000 13.825 0.944) 13.857 11.271 ( 0.000 6.635 -0.117) 6.636 11.317 ( 0.000 20.138 -0.401) 20.142 18.067 ( 0.000 -33.407 -3.024) 33.543 18.145 ( 0.000 -38.049 0.557) 38.053 18.220 ( 0.000 -33.145 -1.277) 33.169 18.295 ( 0.000 -26.994 -6.581) 27.785 18.811 ( 0.000 -2.626 1.230) 2.900 18.893 ( 0.000 -2.363 0.890) 2.525 19.053 ( 0.000 2.580 -0.902) 2.733 19.128 ( 0.000 2.275 -0.871) 2.436 19.427 ( 0.000 3.811 12.404) 12.976 20.059 ( 0.000 -31.007 37.051) 48.313 20.584 ( 0.000 -13.387 0.446) 13.394 20.599 ( 0.000 -13.469 1.057) 13.511 20.748 ( 0.000 -14.119 -0.798) 14.142 20.790 ( 0.000 -14.464 -0.308) 14.467 20.804 ( 0.000 18.529 -0.842) 18.548 20.925 ( 0.000 12.047 -0.712) 12.068 21.590 ( 0.000 26.419 1.448) 26.459 21.798 ( 0.000 31.248 4.815) 31.617 22.134 ( 0.000 21.775 -1.108) 21.803 22.263 ( 0.000 20.399 -2.014) 20.498 31.348 ( 0.000 -42.766 1.197) 42.782 31.407 ( 0.000 -40.867 0.934) 40.878 31.625 ( 0.000 -34.510 -1.232) 34.532 31.639 ( 0.000 -33.781 -0.687) 33.788 34.891 ( 0.000 14.961 0.436) 14.967 34.907 ( 0.000 15.445 0.741) 15.463 35.083 ( 0.000 32.632 -1.212) 32.654 35.487 ( 0.000 26.030 2.055) 26.111 35.606 ( 0.000 24.464 1.774) 24.528 35.953 ( 0.000 41.423 -1.522) 41.451 35.992 ( 0.000 40.262 -1.373) 40.285 37.665 ( 0.000 132.206 -128.949) 184.679 41.820 ( 0.000 -1.253 -1.274) 1.787 41.902 ( 0.000 2.748 -2.307) 3.588 42.198 ( 0.000 -0.465 14.468) 14.476 42.980 ( 0.000 -1.589 3.967) 4.273 43.211 ( 0.000 9.108 -8.457) 12.429 44.001 ( 0.000 -3.999 -8.102) 9.035 44.159 ( 0.000 -7.363 -1.224) 7.464 46.564 ( 0.000 -25.136 -26.913) 36.826 ======================= Grid point 71 (26/105) ======================= q-point: ( 0.25 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 15.413 14.547 23.561) 31.691 1.688 ( 32.039 28.349 13.213) 44.774 2.093 ( -15.854 4.270 13.103) 21.006 2.473 ( 44.556 52.050 8.500) 69.041 2.817 ( 2.129 17.019 3.070) 17.424 3.091 ( 9.734 42.817 -1.451) 43.934 3.135 ( -3.764 11.103 -1.880) 11.874 3.382 ( -16.775 12.721 -0.682) 21.064 3.408 ( 2.554 12.097 -0.171) 12.365 3.614 ( 2.418 1.701 0.226) 2.965 4.180 ( 0.479 20.363 -4.960) 20.964 4.275 ( -12.839 -6.871 -2.876) 14.843 4.363 ( -14.718 7.455 4.603) 17.128 4.583 ( 15.526 12.546 -1.135) 19.994 4.894 ( 2.584 10.033 -0.973) 10.406 4.963 ( -19.782 -2.211 -4.479) 20.403 5.091 ( -11.978 -0.499 0.683) 12.008 5.142 ( -0.319 2.978 2.317) 3.787 5.239 ( -5.317 7.860 -0.388) 9.498 5.300 ( 2.534 0.556 -0.643) 2.672 5.338 ( -10.670 5.644 -2.291) 12.286 5.672 ( -21.517 19.095 1.641) 28.815 5.749 ( 11.625 2.393 -0.827) 11.898 6.132 ( -2.074 -2.177 8.994) 9.483 6.667 ( 4.271 0.895 1.814) 4.726 6.808 ( 1.461 2.954 8.452) 9.072 7.056 ( 16.263 1.269 -12.536) 20.573 7.811 ( -8.465 -13.863 -5.527) 17.158 7.966 ( 14.049 -1.855 0.846) 14.196 8.117 ( 2.628 -4.052 -19.071) 19.673 8.310 ( -8.742 1.268 -11.731) 14.685 8.620 ( 5.204 -6.829 -0.447) 8.597 8.826 ( -2.519 0.784 10.371) 10.701 8.994 ( 4.663 -1.172 1.499) 5.036 9.332 ( -4.065 -0.922 -4.106) 5.851 9.516 ( -10.003 7.067 1.878) 12.391 9.774 ( 19.166 -9.486 -1.625) 21.447 9.906 ( 8.803 0.446 2.527) 9.169 10.263 ( -5.159 -8.403 10.081) 14.102 10.421 ( -14.463 -9.712 7.961) 19.154 10.911 ( 5.898 14.637 1.368) 15.840 11.003 ( 7.068 12.887 0.173) 14.699 11.282 ( -2.191 22.275 -0.531) 22.388 11.391 ( 3.076 13.016 -3.431) 13.807 18.073 ( 0.660 -33.726 -1.749) 33.778 18.129 ( -1.284 -36.830 0.531) 36.856 18.227 ( 0.693 -32.645 -1.517) 32.687 18.278 ( -1.309 -28.527 -4.509) 28.911 18.825 ( 1.223 -2.665 1.190) 3.164 18.883 ( -0.884 -2.450 0.977) 2.782 19.066 ( 1.149 2.598 -0.979) 3.005 19.119 ( -0.793 2.369 -0.890) 2.652 19.443 ( 1.836 3.717 13.875) 14.481 19.795 ( -17.045 -10.349 33.209) 38.736 20.587 ( 0.240 -13.127 0.575) 13.142 20.597 ( -0.140 -13.203 0.980) 13.240 20.751 ( 0.268 -12.131 -0.584) 12.148 20.780 ( -0.787 -7.011 -0.200) 7.058 20.805 ( 0.114 11.928 -0.822) 11.957 20.852 ( -3.532 17.241 -0.193) 17.601 21.586 ( -0.262 26.596 1.688) 26.650 21.658 ( -6.217 32.409 4.387) 33.290 22.140 ( 0.659 21.513 -1.271) 21.561 22.202 ( -2.539 21.473 -1.115) 21.652 31.361 ( 0.938 -42.669 1.149) 42.695 31.401 ( -0.586 -41.203 1.002) 41.219 31.627 ( 0.191 -34.391 -1.125) 34.410 31.637 ( -0.190 -33.910 -0.742) 33.919 34.894 ( 0.212 14.961 0.468) 14.970 34.905 ( -0.204 15.321 0.700) 15.338 35.128 ( 4.541 36.987 -1.704) 37.304 35.494 ( -0.006 27.348 1.677) 27.400 35.596 ( -0.922 24.865 1.752) 24.944 35.947 ( -3.542 46.295 -2.932) 46.523 35.986 ( -0.527 40.459 -1.402) 40.487 36.115 ( -54.664 92.738 -23.386) 110.161 41.904 ( 4.522 0.361 -0.555) 4.570 42.143 ( -4.171 -0.943 11.897) 12.642 42.976 ( 4.039 -3.204 1.597) 5.397 43.032 ( 3.121 -4.243 2.884) 6.005 43.800 ( 22.811 -5.655 -29.593) 37.790 43.992 ( -0.901 -3.983 -8.593) 9.514 44.831 ( 76.570 -35.225 -52.043) 99.056 46.462 ( -10.216 -27.766 -31.317) 43.083 ======================= Grid point 72 (27/105) ======================= q-point: (-0.50 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -22.061 8.288 16.232) 28.616 1.589 ( 22.061 8.288 16.232) 28.616 2.505 ( -32.828 30.694 4.415) 45.158 2.505 ( 32.828 30.694 4.415) 45.158 3.027 ( -2.801 1.518 -0.734) 3.269 3.027 ( 2.801 1.518 -0.734) 3.269 3.344 ( -9.142 39.388 -1.144) 40.451 3.344 ( 9.142 39.388 -1.144) 40.451 3.647 ( -43.218 15.715 5.998) 46.376 3.647 ( 43.218 15.715 5.998) 46.376 3.930 ( -14.425 -4.748 -0.535) 15.196 3.930 ( 14.425 -4.748 -0.535) 15.196 4.372 ( -16.671 10.501 -4.042) 20.113 4.372 ( 16.671 10.501 -4.042) 20.113 4.866 ( -10.217 2.426 -0.979) 10.546 4.866 ( 10.217 2.426 -0.979) 10.546 5.038 ( -8.205 12.777 0.758) 15.203 5.038 ( 8.205 12.777 0.758) 15.203 5.237 ( -3.510 3.198 -0.430) 4.767 5.237 ( 3.510 3.198 -0.430) 4.767 5.401 ( -6.504 6.536 2.876) 9.659 5.401 ( 6.504 6.536 2.876) 9.659 6.005 ( -9.794 -0.354 4.658) 10.851 6.005 ( 9.794 -0.354 4.658) 10.851 6.765 ( -4.599 4.507 5.555) 8.504 6.765 ( 4.599 4.507 5.555) 8.504 7.425 ( -17.394 -4.736 -7.548) 19.544 7.425 ( 17.394 -4.736 -7.548) 19.544 8.105 ( -4.946 -2.133 -15.645) 16.547 8.105 ( 4.946 -2.133 -15.645) 16.547 8.580 ( -14.238 -7.341 -1.213) 16.065 8.580 ( 14.238 -7.341 -1.213) 16.065 8.886 ( -11.507 -5.382 4.484) 13.471 8.886 ( 11.507 -5.382 4.484) 13.471 9.318 ( -6.446 7.955 -0.916) 10.280 9.318 ( 6.446 7.955 -0.916) 10.280 10.085 ( -6.173 -8.915 6.138) 12.460 10.085 ( 6.173 -8.915 6.138) 12.460 10.148 ( -7.946 -7.255 1.624) 10.881 10.148 ( 7.946 -7.255 1.624) 10.881 11.042 ( -4.646 11.217 0.743) 12.164 11.042 ( 4.646 11.217 0.743) 12.164 11.330 ( -6.352 23.574 -2.551) 24.547 11.330 ( 6.352 23.574 -2.551) 24.547 18.097 ( -1.469 -34.985 -0.139) 35.016 18.097 ( 1.469 -34.985 -0.139) 35.016 18.249 ( -1.243 -31.057 -2.374) 31.172 18.249 ( 1.243 -31.057 -2.374) 31.172 18.857 ( -1.490 -2.590 1.127) 3.194 18.857 ( 1.490 -2.590 1.127) 3.194 19.095 ( -1.355 2.542 -0.965) 3.037 19.095 ( 1.355 2.542 -0.965) 3.037 19.531 ( -7.184 2.025 20.168) 21.505 19.531 ( 7.184 2.025 20.168) 21.505 20.593 ( -0.258 -12.931 0.790) 12.957 20.593 ( 0.258 -12.931 0.790) 12.957 20.761 ( -0.751 -7.355 -0.256) 7.398 20.761 ( 0.751 -7.355 -0.256) 7.398 20.812 ( -0.704 12.697 -0.425) 12.723 20.812 ( 0.704 12.697 -0.425) 12.723 21.590 ( -1.077 27.465 2.481) 27.598 21.590 ( 1.077 27.465 2.481) 27.598 22.163 ( -1.390 21.206 -1.201) 21.285 22.163 ( 1.390 21.206 -1.201) 21.285 31.383 ( -1.000 -41.956 1.100) 41.982 31.383 ( 1.000 -41.956 1.100) 41.982 31.632 ( -0.263 -34.148 -0.916) 34.162 31.632 ( 0.263 -34.148 -0.916) 34.162 34.899 ( -0.276 15.075 0.578) 15.088 34.899 ( 0.276 15.075 0.578) 15.088 35.317 ( -14.099 51.122 -3.859) 53.171 35.317 ( 14.099 51.122 -3.859) 53.171 35.581 ( -0.976 29.048 1.015) 29.082 35.581 ( 0.976 29.048 1.015) 29.082 35.973 ( -0.568 40.728 -1.463) 40.758 35.973 ( 0.568 40.728 -1.463) 40.758 42.025 ( -6.129 -0.293 5.638) 8.333 42.025 ( 6.129 -0.293 5.638) 8.333 43.026 ( -1.763 -1.565 3.239) 4.006 43.026 ( 1.763 -1.565 3.239) 4.006 43.959 ( -2.373 -4.105 -10.765) 11.762 43.959 ( 2.373 -4.105 -10.765) 11.762 46.039 ( -32.563 -36.140 -46.698) 67.433 46.039 ( 32.563 -36.140 -46.698) 67.433 ======================= Grid point 75 (28/105) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 17.599 31.676) 36.237 1.848 ( 0.000 38.975 9.080) 40.018 2.338 ( 0.000 1.206 8.996) 9.077 2.917 ( 0.000 6.021 1.223) 6.144 3.251 ( 0.000 13.334 -1.546) 13.424 3.321 ( 0.000 16.721 1.526) 16.790 3.494 ( 0.000 7.061 -5.713) 9.083 3.527 ( 0.000 41.111 -5.026) 41.417 3.718 ( 0.000 -17.618 3.371) 17.937 3.989 ( 0.000 38.329 3.524) 38.490 4.255 ( 0.000 -9.184 -7.355) 11.766 4.451 ( 0.000 11.124 -5.804) 12.547 4.830 ( 0.000 -13.006 -0.371) 13.011 4.876 ( 0.000 27.808 0.108) 27.808 5.066 ( 0.000 2.655 -0.402) 2.685 5.112 ( 0.000 -5.806 -2.288) 6.241 5.134 ( 0.000 27.312 5.020) 27.770 5.208 ( 0.000 5.363 -4.066) 6.730 5.359 ( 0.000 4.985 5.226) 7.222 5.492 ( 0.000 -3.389 -4.892) 5.951 5.627 ( 0.000 42.391 -0.195) 42.391 5.835 ( 0.000 -2.904 3.186) 4.311 6.096 ( 0.000 1.449 10.413) 10.513 6.473 ( 0.000 23.823 -29.779) 38.136 6.515 ( 0.000 -3.584 8.442) 9.171 6.775 ( 0.000 -1.056 -6.035) 6.126 6.926 ( 0.000 -0.215 6.337) 6.340 7.533 ( 0.000 6.611 -3.546) 7.502 7.952 ( 0.000 -3.595 -13.002) 13.490 8.169 ( 0.000 -0.251 7.846) 7.850 8.354 ( 0.000 -2.368 -14.825) 15.013 8.443 ( 0.000 -1.314 -8.859) 8.956 8.879 ( 0.000 1.210 14.457) 14.508 8.967 ( 0.000 -2.451 10.317) 10.604 9.295 ( 0.000 19.070 1.631) 19.140 9.642 ( 0.000 -1.453 7.093) 7.241 9.788 ( 0.000 17.430 -0.147) 17.430 9.967 ( 0.000 12.453 4.771) 13.335 10.321 ( 0.000 11.222 0.726) 11.245 10.562 ( 0.000 -1.154 4.286) 4.438 11.199 ( 0.000 22.351 0.682) 22.362 11.279 ( 0.000 23.275 1.156) 23.304 11.457 ( 0.000 13.014 0.925) 13.046 11.856 ( 0.000 33.219 -1.735) 33.264 17.269 ( 0.000 -44.442 -0.211) 44.443 17.304 ( 0.000 -45.802 0.773) 45.809 17.469 ( 0.000 -42.216 -2.037) 42.266 17.649 ( 0.000 -38.616 -7.762) 39.389 18.741 ( 0.000 -5.167 1.666) 5.429 18.817 ( 0.000 -6.368 1.359) 6.512 19.052 ( 0.000 -5.186 -0.998) 5.281 19.132 ( 0.000 -4.146 -1.040) 4.274 19.463 ( 0.000 0.168 11.960) 11.961 19.650 ( 0.000 -12.553 25.823) 28.712 20.200 ( 0.000 -25.286 0.440) 25.290 20.247 ( 0.000 -22.566 0.823) 22.581 20.380 ( 0.000 -20.898 -0.551) 20.905 20.431 ( 0.000 -19.604 -0.656) 19.614 21.042 ( 0.000 4.631 -2.210) 5.131 21.077 ( 0.000 2.524 -1.833) 3.119 22.272 ( 0.000 43.403 1.655) 43.434 22.650 ( 0.000 50.409 0.308) 50.410 22.796 ( 0.000 43.145 -1.024) 43.157 22.858 ( 0.000 39.331 -0.928) 39.342 30.402 ( 0.000 -52.167 1.451) 52.187 30.484 ( 0.000 -51.600 1.158) 51.613 30.749 ( 0.000 -51.858 -1.321) 51.875 30.790 ( 0.000 -50.305 -1.291) 50.321 35.290 ( 0.000 25.385 1.440) 25.426 35.326 ( 0.000 26.641 3.040) 26.814 35.892 ( 0.000 47.027 -3.553) 47.161 36.123 ( 0.000 35.320 2.968) 35.445 36.211 ( 0.000 33.936 2.758) 34.048 36.824 ( 0.000 45.159 -2.525) 45.230 36.855 ( 0.000 45.848 -2.531) 45.918 39.058 ( 0.000 32.753 -70.931) 78.128 41.811 ( 0.000 0.592 0.931) 1.103 41.968 ( 0.000 4.193 -2.256) 4.761 42.195 ( 0.000 0.404 11.462) 11.469 42.929 ( 0.000 -3.457 3.997) 5.284 43.341 ( 0.000 3.729 -11.141) 11.749 43.879 ( 0.000 -8.633 -6.435) 10.767 43.996 ( 0.000 -8.990 -0.236) 8.993 45.919 ( 0.000 -38.882 -21.816) 44.584 ======================= Grid point 76 (29/105) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 9.466 19.391 21.385) 30.380 2.172 ( 1.400 18.063 8.819) 20.150 2.198 ( 11.001 12.584 11.011) 20.016 2.974 ( 4.513 4.048 -0.065) 6.063 3.253 ( -2.167 5.174 -2.109) 5.993 3.411 ( -6.464 6.093 -1.231) 8.968 3.430 ( 2.883 -4.003 -0.440) 4.953 3.543 ( 2.471 16.087 3.785) 16.710 3.850 ( 16.885 34.690 -6.663) 39.153 4.022 ( -0.483 23.990 3.960) 24.320 4.081 ( -11.859 -7.124 -4.200) 14.458 4.480 ( 4.641 24.714 -3.968) 25.458 4.758 ( -6.963 4.432 -2.499) 8.624 4.821 ( -1.978 1.108 1.008) 2.482 5.025 ( -5.612 16.625 3.885) 17.972 5.136 ( -2.121 5.056 0.021) 5.483 5.145 ( 0.378 4.776 -6.184) 7.823 5.201 ( -1.021 3.787 -0.055) 3.923 5.333 ( -9.108 4.373 0.405) 10.111 5.379 ( -11.407 21.682 1.912) 24.574 5.552 ( 4.507 20.273 1.891) 20.854 5.814 ( 7.628 6.426 -1.934) 10.159 6.025 ( -7.405 6.480 5.086) 11.076 6.285 ( -11.112 23.373 -4.218) 26.222 6.669 ( 10.515 -0.145 2.416) 10.791 6.925 ( 8.766 6.040 0.320) 10.651 7.078 ( 8.477 -1.667 -4.743) 9.856 7.472 ( -7.732 -13.075 -1.898) 15.308 8.023 ( 3.290 -3.456 -17.314) 17.960 8.046 ( 1.633 8.773 0.001) 8.923 8.340 ( -4.868 2.199 -9.479) 10.881 8.486 ( 3.576 -5.607 -7.131) 9.750 8.850 ( -1.820 1.291 12.797) 12.990 8.954 ( -3.055 -2.542 9.614) 10.403 9.435 ( 7.166 13.068 -0.058) 14.904 9.628 ( -2.757 2.912 5.614) 6.900 9.824 ( 5.096 16.857 1.062) 17.642 9.952 ( 1.473 8.260 4.492) 9.517 10.238 ( -7.349 7.910 1.921) 10.966 10.339 ( -12.685 1.519 6.193) 14.198 11.274 ( 4.216 21.407 0.369) 21.821 11.337 ( 2.945 22.001 1.745) 22.266 11.639 ( 11.673 14.104 -2.610) 18.493 11.844 ( -0.904 32.220 -2.112) 32.302 17.274 ( 0.393 -44.553 0.071) 44.554 17.299 ( -0.485 -45.532 0.767) 45.541 17.490 ( 1.903 -41.576 -2.472) 41.693 17.616 ( -2.762 -38.875 -6.220) 39.466 18.754 ( 1.119 -5.321 1.629) 5.676 18.808 ( -0.822 -6.169 1.409) 6.381 19.067 ( 1.264 -5.019 -1.113) 5.294 19.123 ( -0.815 -4.301 -1.074) 4.507 19.472 ( 1.038 -0.306 12.946) 12.991 19.598 ( -4.049 -8.220 22.443) 24.242 20.210 ( 0.772 -25.007 0.638) 25.027 20.243 ( -0.431 -23.104 0.853) 23.124 20.386 ( 0.577 -20.592 -0.501) 20.606 20.423 ( -0.702 -19.756 -0.525) 19.776 21.043 ( 0.139 4.692 -2.175) 5.174 21.066 ( -0.808 3.435 -1.895) 4.005 22.284 ( 1.403 44.673 1.839) 44.733 22.529 ( -9.500 51.746 1.594) 52.635 22.792 ( -0.001 42.485 -1.467) 42.511 22.826 ( -1.524 41.078 -0.659) 41.111 30.416 ( 1.154 -52.141 1.415) 52.173 30.474 ( -0.954 -51.714 1.212) 51.737 30.755 ( 0.526 -51.647 -1.316) 51.667 30.784 ( -0.522 -50.543 -1.290) 50.562 35.295 ( 0.393 25.525 1.640) 25.581 35.320 ( -0.527 26.412 2.781) 26.563 36.016 ( 11.624 50.019 -4.416) 51.541 36.136 ( 1.198 35.538 2.953) 35.681 36.207 ( 0.254 34.330 2.457) 34.418 36.828 ( 0.404 45.306 -2.544) 45.379 36.851 ( -0.404 45.775 -2.534) 45.846 37.690 ( -73.601 61.139 -28.967) 99.970 41.917 ( 4.105 1.139 0.822) 4.339 42.129 ( -3.613 -0.066 9.668) 10.322 42.845 ( 21.710 -9.686 -3.781) 24.071 42.956 ( 2.397 -3.459 3.721) 5.618 43.648 ( 22.410 -9.197 -23.884) 34.018 43.872 ( -0.819 -8.379 -7.329) 11.162 44.246 ( 36.473 -22.706 -11.107) 44.376 45.769 ( -14.586 -40.654 -23.789) 49.309 ======================= Grid point 77 (30/105) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -17.911 14.137 12.667) 26.098 1.817 ( 17.911 14.137 12.667) 26.098 2.826 ( -29.296 3.395 5.614) 30.021 2.826 ( 29.296 3.395 5.614) 30.021 3.139 ( -5.244 8.347 -1.649) 9.994 3.139 ( 5.244 8.347 -1.649) 9.994 3.710 ( -16.503 -6.158 -2.673) 17.816 3.710 ( 16.503 -6.158 -2.673) 17.816 3.837 ( -13.467 9.706 -0.006) 16.600 3.837 ( 13.467 9.706 -0.006) 16.600 4.368 ( -21.896 36.725 1.310) 42.777 4.368 ( 21.896 36.725 1.310) 42.777 4.795 ( -14.673 20.956 -4.640) 26.000 4.795 ( 14.673 20.956 -4.640) 26.000 4.861 ( -5.399 7.942 2.096) 9.830 4.861 ( 5.399 7.942 2.096) 9.830 5.195 ( -1.843 6.951 2.195) 7.518 5.195 ( 1.843 6.951 2.195) 7.518 5.267 ( -3.894 -0.257 -2.501) 4.635 5.267 ( 3.894 -0.257 -2.501) 4.635 5.747 ( -11.792 18.449 -0.557) 21.903 5.747 ( 11.792 18.449 -0.557) 21.903 6.078 ( -10.312 12.578 3.089) 16.555 6.078 ( 10.312 12.578 3.089) 16.555 6.910 ( -9.281 8.518 2.714) 12.886 6.910 ( 9.281 8.518 2.714) 12.886 7.263 ( -9.143 -10.074 -2.315) 13.800 7.263 ( 9.143 -10.074 -2.315) 13.800 8.079 ( -4.909 0.275 -15.380) 16.147 8.079 ( 4.909 0.275 -15.380) 16.147 8.431 ( -10.118 -4.682 -6.854) 13.087 8.431 ( 10.118 -4.682 -6.854) 13.087 8.846 ( -3.172 0.286 12.965) 13.350 8.846 ( 3.172 0.286 12.965) 13.350 9.532 ( -4.063 13.796 0.567) 14.393 9.532 ( 4.063 13.796 0.567) 14.393 10.007 ( -5.901 5.579 4.848) 9.458 10.007 ( 5.901 5.579 4.848) 9.458 10.117 ( -5.484 4.676 3.802) 8.148 10.117 ( 5.484 4.676 3.802) 8.148 11.349 ( -2.000 19.831 1.030) 19.958 11.349 ( 2.000 19.831 1.030) 19.958 11.806 ( -3.654 24.909 -3.323) 25.394 11.806 ( 3.654 24.909 -3.323) 25.394 17.285 ( -0.649 -44.973 0.546) 44.981 17.285 ( 0.649 -44.973 0.546) 44.981 17.547 ( -3.200 -40.064 -3.837) 40.374 17.547 ( 3.200 -40.064 -3.837) 40.374 18.783 ( -1.382 -5.718 1.526) 6.078 18.783 ( 1.382 -5.718 1.526) 6.078 19.098 ( -1.431 -4.655 -1.157) 5.005 19.098 ( 1.431 -4.655 -1.157) 5.005 19.515 ( -3.024 -2.584 16.519) 16.991 19.515 ( 3.024 -2.584 16.519) 16.991 20.228 ( -0.858 -24.175 0.835) 24.204 20.228 ( 0.858 -24.175 0.835) 24.204 20.404 ( -0.972 -20.080 -0.435) 20.108 20.404 ( 0.972 -20.080 -0.435) 20.108 21.050 ( -0.576 4.502 -2.044) 4.978 21.050 ( 0.576 4.502 -2.044) 4.978 22.353 ( -5.543 48.539 2.162) 48.902 22.353 ( 5.543 48.539 2.162) 48.902 22.801 ( -0.808 42.074 -1.114) 42.097 22.801 ( 0.808 42.074 -1.114) 42.097 30.446 ( -1.480 -51.962 1.323) 52.000 30.446 ( 1.480 -51.962 1.323) 52.000 30.770 ( -0.718 -51.104 -1.300) 51.126 30.770 ( 0.718 -51.104 -1.300) 51.126 35.306 ( -0.642 25.926 2.179) 26.025 35.306 ( 0.642 25.926 2.179) 26.025 36.158 ( -0.977 36.190 2.400) 36.283 36.158 ( 0.977 36.190 2.400) 36.283 36.535 ( -34.375 57.873 -9.496) 67.979 36.535 ( 34.375 57.873 -9.496) 67.979 36.840 ( -0.559 45.544 -2.531) 45.618 36.840 ( 0.559 45.544 -2.531) 45.618 42.025 ( -5.414 0.480 5.405) 7.665 42.025 ( 5.414 0.480 5.405) 7.665 42.982 ( -1.302 -2.825 2.238) 3.832 42.982 ( 1.302 -2.825 2.238) 3.832 43.838 ( -2.727 -8.419 -9.721) 13.146 43.838 ( 2.727 -8.419 -9.721) 13.146 45.227 ( -37.323 -42.946 -28.074) 63.447 45.227 ( 37.323 -42.946 -28.074) 63.447 ======================= Grid point 80 (31/105) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 0.000 19.577 22.343) 29.707 2.380 ( 0.000 4.458 7.278) 8.535 2.533 ( 0.000 29.041 5.743) 29.603 3.001 ( 0.000 4.149 1.315) 4.352 3.329 ( 0.000 -17.937 1.834) 18.031 3.342 ( 0.000 2.712 -1.380) 3.043 3.407 ( 0.000 1.815 -2.984) 3.493 3.720 ( 0.000 14.655 -7.530) 16.476 4.061 ( 0.000 -9.563 -7.053) 11.883 4.192 ( 0.000 -2.661 7.468) 7.928 4.359 ( 0.000 26.518 -8.158) 27.744 4.543 ( 0.000 -15.480 0.292) 15.483 4.914 ( 0.000 -10.006 -9.195) 13.589 4.944 ( 0.000 25.651 -8.531) 27.032 5.137 ( 0.000 2.078 -4.450) 4.912 5.219 ( 0.000 8.609 -3.760) 9.394 5.239 ( 0.000 -5.196 12.046) 13.119 5.270 ( 0.000 0.011 2.533) 2.533 5.531 ( 0.000 6.910 -6.878) 9.750 5.738 ( 0.000 23.343 12.440) 26.451 5.793 ( 0.000 0.556 4.474) 4.508 6.282 ( 0.000 13.531 3.129) 13.888 6.371 ( 0.000 22.241 -5.041) 22.805 6.463 ( 0.000 0.322 7.612) 7.619 6.576 ( 0.000 -10.274 -3.371) 10.813 6.910 ( 0.000 -1.046 7.137) 7.213 6.958 ( 0.000 18.302 -21.767) 28.439 7.467 ( 0.000 -7.048 -1.018) 7.121 8.108 ( 0.000 12.733 -8.436) 15.274 8.310 ( 0.000 -2.100 -14.633) 14.783 8.327 ( 0.000 11.768 6.092) 13.252 8.421 ( 0.000 -0.813 -8.141) 8.181 8.881 ( 0.000 -1.012 17.116) 17.146 8.918 ( 0.000 -2.457 11.065) 11.335 9.587 ( 0.000 -3.873 7.510) 8.450 9.719 ( 0.000 13.415 3.188) 13.788 10.367 ( 0.000 44.459 1.838) 44.497 10.463 ( 0.000 44.885 1.225) 44.902 10.766 ( 0.000 32.918 -1.162) 32.938 10.815 ( 0.000 36.586 -0.527) 36.590 11.671 ( 0.000 25.001 -0.638) 25.009 11.708 ( 0.000 20.505 -1.295) 20.546 11.842 ( 0.000 27.232 4.760) 27.645 12.526 ( 0.000 34.172 -2.585) 34.270 16.391 ( 0.000 -44.942 0.028) 44.942 16.458 ( 0.000 -40.349 1.266) 40.369 16.632 ( 0.000 -42.820 -1.710) 42.854 16.864 ( 0.000 -40.551 -4.225) 40.770 18.538 ( 0.000 -20.089 1.054) 20.117 18.565 ( 0.000 -22.417 1.788) 22.488 18.731 ( 0.000 -29.330 -0.498) 29.334 18.844 ( 0.000 -27.965 -0.614) 27.971 19.449 ( 0.000 -1.292 10.273) 10.354 19.490 ( 0.000 -5.380 15.392) 16.305 19.685 ( 0.000 -23.807 1.465) 23.852 19.732 ( 0.000 -26.623 1.793) 26.683 20.123 ( 0.000 -3.861 -1.851) 4.282 20.173 ( 0.000 -4.646 -1.647) 4.929 21.033 ( 0.000 -4.126 -3.160) 5.197 21.051 ( 0.000 -4.265 -2.998) 5.213 23.219 ( 0.000 52.526 1.811) 52.557 23.661 ( 0.000 52.662 -0.399) 52.663 23.685 ( 0.000 46.906 -1.192) 46.921 23.728 ( 0.000 48.780 0.367) 48.781 29.378 ( 0.000 -52.583 1.392) 52.601 29.462 ( 0.000 -52.809 1.129) 52.821 29.698 ( 0.000 -55.219 -1.118) 55.231 29.765 ( 0.000 -54.098 -1.354) 54.115 35.838 ( 0.000 29.977 2.711) 30.100 35.897 ( 0.000 31.076 5.085) 31.490 36.755 ( 0.000 28.160 3.602) 28.390 36.795 ( 0.000 44.019 -5.025) 44.305 36.828 ( 0.000 28.094 3.399) 28.298 37.626 ( 0.000 36.058 -3.295) 36.208 37.704 ( 0.000 40.377 -3.753) 40.551 39.396 ( 0.000 7.308 -37.638) 38.341 41.858 ( 0.000 4.725 3.052) 5.625 42.069 ( 0.000 6.265 -1.618) 6.470 42.228 ( 0.000 3.386 7.566) 8.289 42.851 ( 0.000 -4.488 3.371) 5.613 43.366 ( 0.000 -0.873 -8.332) 8.378 43.668 ( 0.000 -13.002 -3.920) 13.581 43.815 ( 0.000 -9.577 -1.117) 9.642 45.143 ( 0.000 -39.059 -16.172) 42.275 ======================= Grid point 81 (32/105) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 7.765 19.303 17.333) 27.080 2.320 ( -6.606 7.689 7.297) 12.491 2.623 ( 7.996 18.887 5.652) 21.274 3.019 ( -0.652 0.817 0.783) 1.306 3.221 ( -5.538 -10.190 0.828) 11.627 3.344 ( -1.503 4.375 -3.871) 6.032 3.436 ( 2.639 3.017 -0.027) 4.009 3.721 ( 4.437 5.746 -3.637) 8.120 3.924 ( -10.757 -5.435 -4.799) 12.973 4.131 ( -6.588 -2.182 4.237) 8.132 4.556 ( 9.973 4.443 -2.506) 11.202 4.607 ( 9.809 8.766 -5.603) 14.299 4.872 ( -9.621 0.087 -0.683) 9.646 5.001 ( 1.354 -8.121 -2.952) 8.746 5.012 ( 2.406 11.091 -6.687) 13.173 5.185 ( 4.038 11.165 1.093) 11.923 5.298 ( 3.170 0.443 -1.844) 3.694 5.337 ( 1.050 9.538 -2.084) 9.820 5.493 ( -8.526 15.261 -0.208) 17.482 5.659 ( -7.361 1.153 5.370) 9.184 5.918 ( 7.918 17.582 8.239) 20.969 6.120 ( -6.452 14.990 -4.113) 16.829 6.277 ( -4.484 15.923 0.771) 16.560 6.544 ( 3.859 0.660 3.776) 5.439 6.731 ( 4.786 -7.408 -0.660) 8.844 6.832 ( 2.229 2.263 2.342) 3.947 7.084 ( 5.844 5.918 -10.408) 13.323 7.399 ( -6.051 -3.004 0.018) 6.755 8.100 ( 0.415 10.915 -11.221) 15.660 8.207 ( -4.425 5.419 -9.182) 11.544 8.409 ( 2.747 1.388 -3.252) 4.477 8.433 ( 0.560 3.573 -7.707) 8.514 8.861 ( -1.083 -0.142 14.908) 14.947 8.908 ( -1.870 -2.183 14.010) 14.302 9.615 ( 2.514 -3.347 6.985) 8.143 9.721 ( -0.404 6.243 4.035) 7.444 10.398 ( 3.628 43.542 1.733) 43.727 10.450 ( -0.780 45.607 1.207) 45.630 10.598 ( -9.800 39.683 0.852) 40.884 10.732 ( -7.096 38.111 -0.371) 38.768 11.728 ( 2.925 25.283 -1.099) 25.475 11.830 ( -0.528 27.701 3.684) 27.950 11.950 ( 17.222 18.178 -1.643) 25.095 12.473 ( -5.189 31.387 -2.783) 31.934 16.403 ( 0.965 -44.030 0.295) 44.041 16.450 ( -0.720 -40.772 1.288) 40.798 16.663 ( 2.772 -42.453 -2.112) 42.596 16.828 ( -3.155 -40.733 -3.770) 41.029 18.545 ( 0.558 -20.415 1.132) 20.454 18.564 ( -0.128 -22.082 1.650) 22.144 18.750 ( 1.649 -29.146 -0.566) 29.198 18.830 ( -1.278 -28.162 -0.619) 28.197 19.451 ( 0.233 -1.603 10.718) 10.840 19.480 ( -0.839 -4.420 14.293) 14.984 19.692 ( 0.642 -24.294 1.615) 24.356 19.726 ( -0.583 -26.272 1.813) 26.341 20.130 ( 0.645 -3.960 -1.791) 4.394 20.165 ( -0.632 -4.524 -1.644) 4.855 21.034 ( 0.173 -4.085 -3.158) 5.166 21.047 ( -0.296 -4.177 -3.043) 5.176 23.252 ( 3.217 53.223 1.844) 53.352 23.559 ( -8.621 53.123 0.939) 53.826 23.683 ( 0.465 48.354 -1.614) 48.383 23.719 ( -0.786 48.935 -0.006) 48.942 29.391 ( 1.143 -52.639 1.354) 52.669 29.451 ( -1.017 -52.801 1.171) 52.824 29.708 ( 0.834 -55.084 -1.156) 55.102 29.755 ( -0.887 -54.279 -1.319) 54.302 35.845 ( 0.640 30.107 3.012) 30.265 35.887 ( -0.882 30.879 4.693) 31.246 36.766 ( 1.067 28.285 3.397) 28.508 36.819 ( -0.823 28.248 3.407) 28.464 36.968 ( 16.246 44.333 -6.034) 47.600 37.638 ( 1.035 36.708 -3.382) 36.878 37.693 ( -0.952 39.774 -3.699) 39.956 38.551 ( -54.789 30.458 -22.102) 66.468 41.958 ( 4.004 3.495 2.978) 6.093 42.158 ( -3.664 3.498 6.340) 8.115 42.658 ( 28.912 -8.312 -4.276) 30.385 42.887 ( 2.685 -3.756 2.744) 5.371 43.477 ( 10.638 -8.150 -12.716) 18.474 43.665 ( -0.463 -12.844 -5.007) 13.793 43.912 ( 13.455 -13.371 -2.764) 19.170 44.982 ( -15.161 -38.409 -16.404) 44.432 ======================= Grid point 82 (33/105) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -11.879 14.668 9.920) 21.323 2.103 ( 11.879 14.668 9.920) 21.323 2.851 ( -11.897 1.059 3.901) 12.565 2.851 ( 11.897 1.059 3.901) 12.565 3.242 ( -5.405 3.607 -1.873) 6.763 3.242 ( 5.405 3.607 -1.873) 6.763 3.624 ( -12.615 -1.648 -2.349) 12.937 3.624 ( 12.615 -1.648 -2.349) 12.937 3.935 ( -10.319 1.945 0.228) 10.503 3.935 ( 10.319 1.945 0.228) 10.503 4.677 ( -6.418 -6.386 3.013) 9.542 4.677 ( 6.418 -6.386 3.013) 9.542 4.910 ( -10.707 11.616 -5.826) 16.838 4.910 ( 10.707 11.616 -5.826) 16.838 5.182 ( -11.789 2.265 -4.422) 12.794 5.182 ( 11.789 2.265 -4.422) 12.794 5.337 ( -2.475 11.170 -6.615) 13.215 5.337 ( 2.475 11.170 -6.615) 13.215 5.440 ( -10.640 13.887 5.283) 18.275 5.440 ( 10.640 13.887 5.283) 18.275 5.994 ( -4.460 11.583 4.649) 13.254 5.994 ( 4.460 11.583 4.649) 13.254 6.429 ( -11.799 15.351 -0.888) 19.381 6.429 ( 11.799 15.351 -0.888) 19.381 6.846 ( -5.473 -11.359 2.749) 12.905 6.846 ( 5.473 -11.359 2.749) 12.905 7.236 ( -8.184 2.382 -2.400) 8.855 7.236 ( 8.184 2.382 -2.400) 8.855 8.136 ( -2.432 5.535 -12.857) 14.207 8.136 ( 2.432 5.535 -12.857) 14.207 8.436 ( -0.370 4.051 -6.616) 7.767 8.436 ( 0.370 4.051 -6.616) 7.767 8.859 ( -1.372 0.429 15.590) 15.656 8.859 ( 1.372 0.429 15.590) 15.656 9.681 ( -3.022 -1.429 5.727) 6.631 9.681 ( 3.022 -1.429 5.727) 6.631 10.459 ( -2.444 44.576 1.714) 44.676 10.459 ( 2.444 44.576 1.714) 44.676 10.546 ( -8.676 41.584 0.531) 42.483 10.546 ( 8.676 41.584 0.531) 42.483 11.793 ( -2.663 25.494 1.364) 25.669 11.793 ( 2.663 25.494 1.364) 25.669 12.287 ( -12.326 24.324 -2.902) 27.423 12.287 ( 12.326 24.324 -2.902) 27.423 16.428 ( -1.229 -42.190 0.902) 42.218 16.428 ( 1.229 -42.190 0.902) 42.218 16.743 ( -4.262 -41.467 -2.884) 41.785 16.743 ( 4.262 -41.467 -2.884) 41.785 18.557 ( -0.485 -21.244 1.360) 21.293 18.557 ( 0.485 -21.244 1.360) 21.293 18.792 ( -2.031 -28.661 -0.625) 28.739 18.792 ( 2.031 -28.661 -0.625) 28.739 19.461 ( -0.721 -2.690 12.186) 12.500 19.461 ( 0.721 -2.690 12.186) 12.500 19.709 ( -0.862 -25.348 1.790) 25.426 19.709 ( 0.862 -25.348 1.790) 25.426 20.148 ( -0.908 -4.230 -1.687) 4.643 20.148 ( 0.908 -4.230 -1.687) 4.643 21.040 ( -0.332 -4.066 -3.121) 5.137 21.040 ( 0.332 -4.066 -3.121) 5.137 23.368 ( -7.626 54.230 1.691) 54.790 23.368 ( 7.626 54.230 1.691) 54.790 23.699 ( -0.921 48.805 -0.848) 48.821 23.699 ( 0.921 48.805 -0.848) 48.821 29.422 ( -1.528 -52.745 1.264) 52.782 29.422 ( 1.528 -52.745 1.264) 52.782 29.731 ( -1.208 -54.701 -1.239) 54.729 29.731 ( 1.208 -54.701 -1.239) 54.729 35.865 ( -1.062 30.461 3.807) 30.716 35.865 ( 1.062 30.461 3.807) 30.716 36.794 ( -1.353 28.232 3.425) 28.471 36.794 ( 1.353 28.232 3.425) 28.471 37.531 ( -36.511 43.275 -10.701) 57.622 37.531 ( 36.511 43.275 -10.701) 57.622 37.667 ( -1.297 38.354 -3.555) 38.541 37.667 ( 1.297 38.354 -3.555) 38.541 42.057 ( -5.043 3.233 4.979) 7.789 42.057 ( 5.043 3.233 4.979) 7.789 42.918 ( -1.574 -3.732 0.844) 4.137 42.918 ( 1.574 -3.732 0.844) 4.137 43.633 ( -3.053 -12.581 -7.816) 15.122 43.633 ( 3.053 -12.581 -7.816) 15.122 44.481 ( -30.233 -32.470 -14.807) 46.771 44.481 ( 30.233 -32.470 -14.807) 46.771 ======================= Grid point 85 (34/105) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 18.930 15.276) 24.325 2.514 ( 0.000 9.802 6.266) 11.633 2.937 ( 0.000 11.484 2.547) 11.763 3.086 ( 0.000 -5.762 1.238) 5.893 3.102 ( 0.000 6.350 0.420) 6.364 3.358 ( 0.000 -0.881 -0.640) 1.089 3.450 ( 0.000 2.151 -6.837) 7.168 3.901 ( 0.000 -3.098 -4.788) 5.703 4.011 ( 0.000 2.787 -4.781) 5.534 4.079 ( 0.000 -7.569 12.005) 14.192 4.335 ( 0.000 2.149 -4.042) 4.578 4.617 ( 0.000 3.436 -7.801) 8.524 4.746 ( 0.000 -6.000 -13.394) 14.676 5.042 ( 0.000 -8.607 3.741) 9.385 5.158 ( 0.000 -4.656 0.754) 4.717 5.285 ( 0.000 8.864 6.676) 11.097 5.326 ( 0.000 13.447 -11.540) 17.720 5.375 ( 0.000 1.997 -4.262) 4.707 5.548 ( 0.000 -2.902 6.482) 7.102 5.926 ( 0.000 8.652 -8.796) 12.338 5.968 ( 0.000 -1.203 3.430) 3.635 6.313 ( 0.000 -3.122 5.362) 6.205 6.418 ( 0.000 -6.427 -1.840) 6.685 6.571 ( 0.000 6.502 3.945) 7.605 6.756 ( 0.000 22.170 1.102) 22.198 6.893 ( 0.000 -0.725 8.479) 8.510 6.969 ( 0.000 -13.777 -8.579) 16.230 7.543 ( 0.000 9.674 -5.763) 11.261 8.275 ( 0.000 -1.384 -11.825) 11.906 8.293 ( 0.000 4.730 -4.289) 6.385 8.418 ( 0.000 0.580 -8.637) 8.657 8.486 ( 0.000 4.871 2.650) 5.545 8.854 ( 0.000 -1.267 15.025) 15.079 8.876 ( 0.000 -1.865 11.620) 11.768 9.504 ( 0.000 -4.349 7.674) 8.821 9.709 ( 0.000 -8.459 2.450) 8.807 11.523 ( 0.000 69.164 1.287) 69.176 11.627 ( 0.000 68.463 -0.134) 68.463 11.755 ( 0.000 63.082 -0.369) 63.083 11.768 ( 0.000 57.559 -0.366) 57.561 12.091 ( 0.000 22.057 0.418) 22.061 12.221 ( 0.000 28.702 -3.462) 28.910 12.411 ( 0.000 30.176 5.656) 30.702 13.143 ( 0.000 28.669 -2.786) 28.804 15.586 ( 0.000 -36.155 0.287) 36.156 15.745 ( 0.000 -32.423 0.395) 32.425 15.855 ( 0.000 -35.591 -0.575) 35.595 16.130 ( 0.000 -33.535 -2.303) 33.614 17.836 ( 0.000 -48.360 0.602) 48.364 17.858 ( 0.000 -50.072 0.746) 50.078 17.984 ( 0.000 -47.462 -0.349) 47.463 18.047 ( 0.000 -52.244 -0.478) 52.246 19.374 ( 0.000 -9.431 3.908) 10.209 19.394 ( 0.000 -7.033 3.342) 7.786 19.410 ( 0.000 -3.264 10.530) 11.024 19.419 ( 0.000 -1.805 8.520) 8.709 20.176 ( 0.000 7.296 -2.985) 7.883 20.216 ( 0.000 7.013 -2.692) 7.512 20.915 ( 0.000 -7.532 -3.774) 8.425 20.934 ( 0.000 -7.393 -3.708) 8.271 24.269 ( 0.000 54.867 1.588) 54.890 24.612 ( 0.000 48.408 -0.501) 48.411 24.673 ( 0.000 51.109 -0.536) 51.112 24.696 ( 0.000 50.533 0.312) 50.534 28.372 ( 0.000 -51.110 1.195) 51.124 28.450 ( 0.000 -51.309 1.044) 51.320 28.630 ( 0.000 -54.489 -0.855) 54.496 28.714 ( 0.000 -53.824 -1.142) 53.836 36.413 ( 0.000 28.264 3.921) 28.535 36.492 ( 0.000 29.234 5.903) 29.824 37.179 ( 0.000 15.034 4.155) 15.597 37.262 ( 0.000 16.025 3.958) 16.506 37.554 ( 0.000 33.492 -5.281) 33.906 38.185 ( 0.000 20.939 -3.841) 21.289 38.395 ( 0.000 30.435 -5.289) 30.892 39.442 ( 0.000 -1.391 -22.551) 22.594 42.009 ( 0.000 11.022 4.020) 11.732 42.207 ( 0.000 7.707 -0.384) 7.717 42.340 ( 0.000 8.461 3.789) 9.270 42.756 ( 0.000 -5.331 2.615) 5.938 43.297 ( 0.000 -7.455 -5.548) 9.293 43.386 ( 0.000 -15.349 -1.910) 15.467 43.647 ( 0.000 -6.491 -1.863) 6.753 44.459 ( 0.000 -30.482 -11.484) 32.573 ======================= Grid point 86 (35/105) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 5.448 17.189 12.717) 22.065 2.493 ( -3.265 10.274 5.979) 12.328 2.872 ( -2.246 6.896 2.438) 7.651 2.982 ( -5.877 -1.811 1.240) 6.273 3.194 ( 5.241 5.395 0.311) 7.528 3.410 ( 1.247 2.045 -6.045) 6.503 3.511 ( 4.858 2.417 -1.596) 5.656 3.794 ( -7.996 1.752 -5.538) 9.883 3.915 ( -3.359 1.960 -1.418) 4.140 4.048 ( -3.290 -2.924 6.737) 8.047 4.365 ( 4.743 -7.747 3.538) 9.748 4.775 ( -8.637 -4.718 4.563) 10.849 4.810 ( 5.900 -4.244 -13.094) 14.976 4.918 ( 11.379 2.680 -5.577) 12.952 5.123 ( -5.934 1.825 -5.813) 8.505 5.226 ( 2.896 -1.531 1.286) 3.519 5.407 ( 3.510 5.829 -12.357) 14.107 5.532 ( 1.537 6.124 1.713) 6.542 5.648 ( 8.888 5.266 3.685) 10.969 5.768 ( -8.951 7.519 -2.548) 11.965 6.115 ( 8.930 -1.543 -2.515) 9.405 6.291 ( -3.683 5.849 5.756) 8.995 6.343 ( -6.749 -3.720 -0.304) 7.713 6.466 ( -0.034 -8.186 4.951) 9.567 6.734 ( -1.431 16.665 2.489) 16.910 6.962 ( 1.490 2.396 6.109) 6.729 7.032 ( 4.998 -11.616 -5.025) 13.607 7.407 ( -11.363 4.089 -4.701) 12.959 8.223 ( -1.149 1.234 -11.321) 11.446 8.306 ( -4.565 3.160 -8.149) 9.861 8.428 ( 6.290 2.804 -5.362) 8.728 8.549 ( 2.048 5.761 -2.013) 6.437 8.850 ( -0.192 -0.818 14.176) 14.201 8.873 ( -0.409 -1.269 13.255) 13.322 9.524 ( 1.770 -5.339 7.235) 9.164 9.659 ( -3.756 -8.161 3.812) 9.759 11.520 ( 0.612 67.074 1.319) 67.090 11.622 ( -0.196 69.024 -0.166) 69.025 11.698 ( -3.704 65.977 0.138) 66.081 11.701 ( -4.830 57.668 -0.096) 57.870 12.240 ( 5.598 26.426 -1.335) 27.045 12.337 ( 10.439 24.922 0.433) 27.023 12.413 ( 3.577 30.013 2.685) 30.345 13.038 ( -9.555 26.432 -2.641) 28.230 15.620 ( 2.783 -34.889 0.444) 35.002 15.734 ( -1.321 -32.117 1.072) 32.162 15.888 ( 3.270 -35.802 -1.490) 35.982 16.088 ( -3.672 -33.898 -2.238) 34.170 17.843 ( 0.588 -48.582 0.651) 48.590 17.860 ( 0.054 -49.820 0.750) 49.825 17.993 ( 0.801 -48.250 -0.443) 48.259 18.038 ( -0.782 -51.654 -0.511) 51.662 19.376 ( 0.188 -8.967 3.994) 9.818 19.390 ( -0.347 -7.202 3.958) 8.226 19.411 ( 0.120 -3.142 9.655) 10.155 19.417 ( -0.120 -2.064 8.592) 8.837 20.182 ( 0.529 7.255 -2.933) 7.843 20.211 ( -0.500 7.054 -2.728) 7.580 20.918 ( 0.235 -7.491 -3.777) 8.393 20.931 ( -0.258 -7.394 -3.731) 8.286 24.307 ( 3.602 54.810 1.536) 54.950 24.566 ( -5.285 50.570 0.645) 50.850 24.654 ( -0.337 51.064 -1.205) 51.080 24.683 ( -0.847 49.961 0.111) 49.968 28.383 ( 1.022 -51.179 1.168) 51.202 28.439 ( -0.992 -51.319 1.063) 51.340 28.641 ( 1.035 -54.401 -0.894) 54.419 28.701 ( -1.125 -53.932 -1.097) 53.955 36.423 ( 0.854 28.385 4.167) 28.702 36.478 ( -1.178 29.060 5.567) 29.612 37.192 ( 1.119 15.113 4.073) 15.692 37.249 ( -1.049 15.718 3.923) 16.234 37.720 ( 15.277 32.476 -6.169) 36.416 38.216 ( 2.688 22.252 -4.060) 22.778 38.365 ( -2.619 29.009 -5.088) 29.568 38.960 ( -35.417 13.161 -16.251) 41.130 42.074 ( 3.495 8.890 4.017) 10.363 42.271 ( -4.564 8.110 3.828) 10.063 42.549 ( 22.496 -2.668 -2.482) 22.789 42.812 ( 3.794 -3.903 1.591) 5.671 43.313 ( 1.718 -9.894 -5.738) 11.566 43.384 ( -0.308 -15.587 -2.631) 15.811 43.700 ( 6.370 -8.254 -3.065) 10.868 44.329 ( -11.871 -28.201 -11.002) 32.516 ======================= Grid point 87 (36/105) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -6.737 13.138 7.984) 16.785 2.373 ( 6.737 13.138 7.984) 16.785 2.882 ( -2.788 2.020 2.068) 4.016 2.882 ( 2.788 2.020 2.068) 4.016 3.329 ( -6.941 5.449 -2.637) 9.210 3.329 ( 6.941 5.449 -2.637) 9.210 3.639 ( -6.994 2.049 -4.430) 8.529 3.639 ( 6.994 2.049 -4.430) 8.529 3.948 ( -5.066 0.656 2.538) 5.704 3.948 ( 5.066 0.656 2.538) 5.704 4.527 ( -9.956 -7.440 7.988) 14.775 4.527 ( 9.956 -7.440 7.988) 14.775 4.966 ( -7.794 -1.471 -8.899) 11.921 4.966 ( 7.794 -1.471 -8.899) 11.921 5.206 ( -7.933 -2.774 -5.522) 10.056 5.206 ( 7.933 -2.774 -5.522) 10.056 5.487 ( -5.842 7.138 -9.345) 13.131 5.487 ( 5.842 7.138 -9.345) 13.131 5.691 ( -2.822 10.144 1.867) 10.693 5.691 ( 2.822 10.144 1.867) 10.693 6.190 ( -1.342 8.342 6.993) 10.968 6.190 ( 1.342 8.342 6.993) 10.968 6.423 ( -7.096 -11.676 -0.531) 13.673 6.423 ( 7.096 -11.676 -0.531) 13.673 6.842 ( -10.870 7.751 3.546) 13.814 6.842 ( 10.870 7.751 3.546) 13.814 7.170 ( -8.264 -7.184 -2.137) 11.157 7.170 ( 8.264 -7.184 -2.137) 11.157 8.231 ( -1.936 3.024 -10.747) 11.331 8.231 ( 1.936 3.024 -10.747) 11.331 8.541 ( -3.013 5.832 -5.089) 8.306 8.541 ( 3.013 5.832 -5.089) 8.306 8.856 ( -0.844 -0.526 14.364) 14.398 8.856 ( 0.844 -0.526 14.364) 14.398 9.579 ( -3.287 -7.121 5.911) 9.821 9.579 ( 3.287 -7.121 5.911) 9.821 11.575 ( -4.283 63.332 0.824) 63.482 11.575 ( 4.283 63.332 0.824) 63.482 11.645 ( -1.376 67.188 0.124) 67.202 11.645 ( 1.376 67.188 0.124) 67.202 12.332 ( -3.334 30.201 1.384) 30.416 12.332 ( 3.334 30.201 1.384) 30.416 12.745 ( -16.817 22.821 -2.063) 28.423 12.745 ( 16.817 22.821 -2.063) 28.423 15.686 ( -2.939 -32.952 0.946) 33.096 15.686 ( 2.939 -32.952 0.946) 33.096 15.986 ( -5.245 -34.917 -2.060) 35.369 15.986 ( 5.245 -34.917 -2.060) 35.369 17.856 ( -0.448 -49.167 0.727) 49.174 17.856 ( 0.448 -49.167 0.727) 49.174 18.016 ( -1.163 -50.070 -0.540) 50.087 18.016 ( 1.163 -50.070 -0.540) 50.087 19.382 ( -0.349 -7.969 4.152) 8.993 19.382 ( 0.349 -7.969 4.152) 8.993 19.414 ( -0.144 -2.640 8.898) 9.282 19.414 ( 0.144 -2.640 8.898) 9.282 20.197 ( -0.728 7.154 -2.823) 7.725 20.197 ( 0.728 7.154 -2.823) 7.725 20.924 ( -0.350 -7.422 -3.767) 8.331 20.924 ( 0.350 -7.422 -3.767) 8.331 24.422 ( -6.725 53.835 1.271) 54.268 24.422 ( 6.725 53.835 1.271) 54.268 24.663 ( -0.862 50.095 -0.617) 50.106 24.663 ( 0.862 50.095 -0.617) 50.106 28.411 ( -1.421 -51.288 1.111) 51.320 28.411 ( 1.421 -51.288 1.111) 51.320 28.671 ( -1.528 -54.176 -0.993) 54.207 28.671 ( 1.528 -54.176 -0.993) 54.207 36.448 ( -1.412 28.697 4.823) 29.134 36.448 ( 1.412 28.697 4.823) 29.134 37.221 ( -1.462 15.307 3.979) 15.884 37.221 ( 1.462 15.307 3.979) 15.884 38.208 ( -27.645 26.787 -9.160) 39.568 38.208 ( 27.645 26.787 -9.160) 39.568 38.297 ( -1.577 26.061 -4.965) 26.577 38.297 ( 1.577 26.061 -4.965) 26.577 42.163 ( -4.825 7.949 4.270) 10.232 42.163 ( 4.825 7.949 4.270) 10.232 42.841 ( -3.510 -4.055 -0.547) 5.391 42.841 ( 3.510 -4.055 -0.547) 5.391 43.362 ( -1.959 -14.866 -4.540) 15.666 43.362 ( 1.959 -14.866 -4.540) 15.666 43.982 ( -17.987 -19.270 -8.287) 27.633 43.982 ( 17.987 -19.270 -8.287) 27.633 ======================= Grid point 90 (37/105) ======================= q-point: ( 0.00 0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 16.216 9.977) 19.040 2.744 ( 0.000 12.167 3.807) 12.749 3.008 ( 0.000 -1.059 -0.509) 1.175 3.100 ( 0.000 5.288 2.927) 6.044 3.204 ( 0.000 0.316 -5.621) 5.630 3.340 ( 0.000 0.958 2.897) 3.051 3.461 ( 0.000 -0.443 -4.850) 4.871 3.820 ( 0.000 -10.158 -0.198) 10.160 3.885 ( 0.000 -3.772 1.118) 3.935 3.936 ( 0.000 -6.029 12.148) 13.562 4.565 ( 0.000 8.706 -8.305) 12.032 4.609 ( 0.000 -1.913 -7.509) 7.749 4.752 ( 0.000 9.211 -18.902) 21.027 4.917 ( 0.000 -2.375 5.300) 5.808 5.063 ( 0.000 -4.890 -0.549) 4.920 5.302 ( 0.000 -8.635 -3.219) 9.215 5.478 ( 0.000 2.458 -1.426) 2.841 5.525 ( 0.000 5.688 -10.727) 12.142 5.555 ( 0.000 12.172 15.448) 19.667 5.815 ( 0.000 -9.787 -2.495) 10.100 5.983 ( 0.000 -1.907 -8.988) 9.188 6.290 ( 0.000 -7.519 -4.456) 8.740 6.331 ( 0.000 4.688 0.521) 4.717 6.606 ( 0.000 -11.411 2.484) 11.678 6.760 ( 0.000 2.223 8.693) 8.972 6.872 ( 0.000 -1.336 10.696) 10.779 7.176 ( 0.000 19.751 -1.775) 19.831 7.629 ( 0.000 -1.475 -5.799) 5.983 8.258 ( 0.000 -0.253 -8.288) 8.292 8.306 ( 0.000 -1.854 -3.903) 4.321 8.449 ( 0.000 2.609 -8.761) 9.141 8.536 ( 0.000 0.400 -1.361) 1.419 8.840 ( 0.000 -0.274 12.876) 12.879 8.848 ( 0.000 -0.930 11.965) 12.002 9.431 ( 0.000 -2.715 7.223) 7.717 9.527 ( 0.000 -8.474 2.982) 8.983 12.545 ( 0.000 23.850 0.628) 23.858 12.744 ( 0.000 37.919 -0.256) 37.919 12.775 ( 0.000 27.228 -4.155) 27.543 12.779 ( 0.000 49.151 -0.395) 49.153 12.908 ( 0.000 54.355 0.584) 54.358 12.982 ( 0.000 27.449 5.651) 28.025 13.018 ( 0.000 59.528 0.908) 59.535 13.615 ( 0.000 18.930 -2.213) 19.058 15.131 ( 0.000 -4.060 0.207) 4.065 15.292 ( 0.000 -8.056 -0.762) 8.092 15.367 ( 0.000 -8.779 0.838) 8.819 15.647 ( 0.000 -12.526 -1.664) 12.636 16.759 ( 0.000 -60.501 0.310) 60.502 16.782 ( 0.000 -58.102 0.641) 58.106 16.899 ( 0.000 -61.555 -1.044) 61.564 16.922 ( 0.000 -60.654 -0.076) 60.654 19.294 ( 0.000 -0.640 5.405) 5.443 19.336 ( 0.000 -0.423 4.636) 4.655 19.353 ( 0.000 -2.589 8.079) 8.484 19.382 ( 0.000 -1.882 7.083) 7.328 20.354 ( 0.000 10.246 -3.623) 10.868 20.389 ( 0.000 9.977 -3.374) 10.532 20.750 ( 0.000 -9.355 -3.996) 10.173 20.773 ( 0.000 -9.091 -3.981) 9.924 25.333 ( 0.000 54.488 1.284) 54.503 25.558 ( 0.000 48.859 -0.009) 48.859 25.644 ( 0.000 49.330 -0.089) 49.331 25.685 ( 0.000 50.983 -0.323) 50.984 27.384 ( 0.000 -50.985 1.043) 50.996 27.469 ( 0.000 -49.856 0.856) 49.863 27.591 ( 0.000 -52.254 -0.556) 52.257 27.682 ( 0.000 -52.438 -0.849) 52.445 36.904 ( 0.000 21.544 4.731) 22.057 37.001 ( 0.000 22.431 5.665) 23.135 37.333 ( 0.000 1.015 4.628) 4.738 37.437 ( 0.000 1.817 4.511) 4.863 38.088 ( 0.000 21.481 -4.884) 22.029 38.433 ( 0.000 4.799 -4.112) 6.320 38.883 ( 0.000 20.053 -7.382) 21.369 39.365 ( 0.000 -6.420 -14.815) 16.146 42.280 ( 0.000 16.152 3.356) 16.497 42.364 ( 0.000 8.714 0.574) 8.733 42.554 ( 0.000 13.191 1.387) 13.264 42.642 ( 0.000 -6.418 1.878) 6.688 43.020 ( 0.000 -18.416 -0.792) 18.433 43.120 ( 0.000 -13.720 -1.601) 13.813 43.599 ( 0.000 1.582 -3.833) 4.146 43.977 ( 0.000 -19.189 -8.079) 20.821 ======================= Grid point 91 (38/105) ======================= q-point: ( 0.25 0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 2.416 14.396 8.173) 16.730 2.708 ( -3.588 11.012 3.172) 12.008 2.919 ( -3.564 -1.610 1.306) 4.123 2.998 ( -5.722 1.883 1.919) 6.322 3.338 ( 6.185 8.169 -2.495) 10.546 3.424 ( 4.888 0.070 -5.426) 7.304 3.509 ( 4.170 -1.287 -1.786) 4.715 3.740 ( -4.754 -8.843 -0.769) 10.069 3.904 ( 2.955 2.085 2.939) 4.660 4.035 ( 4.767 -3.936 11.260) 12.846 4.362 ( -5.749 6.627 -4.867) 10.033 4.679 ( -9.754 -3.771 5.148) 11.656 4.784 ( 4.075 2.653 -12.768) 13.662 4.918 ( 7.963 -2.330 -7.426) 11.135 5.078 ( -0.262 -3.945 -1.988) 4.425 5.257 ( -10.629 1.355 4.658) 11.684 5.443 ( 5.533 -0.673 -13.515) 14.619 5.589 ( 6.047 0.808 -7.716) 9.837 5.769 ( 8.636 5.987 2.706) 10.851 5.814 ( 1.477 -1.583 -0.896) 2.343 6.017 ( 5.033 -5.446 -7.853) 10.801 6.288 ( -1.223 -0.173 -0.464) 1.319 6.297 ( -2.381 -0.336 2.907) 3.773 6.484 ( -9.028 1.692 7.495) 11.855 6.758 ( 5.648 -11.105 3.872) 13.046 6.937 ( -0.638 -0.723 9.083) 9.134 7.095 ( -4.976 14.083 0.890) 14.963 7.441 ( -15.972 -1.449 -4.147) 16.565 8.223 ( 0.442 -0.696 -10.020) 10.054 8.327 ( -4.746 0.407 -9.511) 10.637 8.474 ( 9.793 1.428 -3.450) 10.481 8.639 ( 3.401 3.123 -2.464) 5.234 8.839 ( -0.033 -0.218 11.432) 11.434 8.858 ( 0.295 -0.317 13.185) 13.192 9.429 ( 0.042 -3.830 6.464) 7.513 9.496 ( -2.416 -7.333 3.795) 8.603 12.623 ( -2.424 32.257 -0.422) 32.351 12.668 ( 1.400 27.767 1.293) 27.832 12.763 ( 5.475 40.807 0.252) 41.173 12.872 ( 0.760 42.395 -1.291) 42.421 12.891 ( 1.222 48.589 0.344) 48.605 13.005 ( 2.590 40.511 1.964) 40.641 13.074 ( 3.301 46.245 0.898) 46.372 13.492 ( -10.786 20.497 -1.748) 23.227 15.178 ( 3.586 -4.511 0.177) 5.765 15.294 ( -0.658 -7.846 0.628) 7.898 15.388 ( 2.725 -9.761 -0.770) 10.163 15.601 ( -4.043 -12.305 -1.645) 13.056 16.764 ( 0.359 -60.299 0.359) 60.301 16.779 ( -0.237 -58.638 0.608) 58.642 16.905 ( 0.481 -61.232 -0.920) 61.241 16.921 ( -0.107 -60.622 -0.234) 60.623 19.299 ( 0.476 -0.632 5.348) 5.406 19.327 ( -0.616 -0.604 5.030) 5.104 19.359 ( 0.428 -2.321 7.639) 7.995 19.379 ( -0.330 -1.946 7.160) 7.427 20.359 ( 0.461 10.199 -3.585) 10.821 20.384 ( -0.443 10.007 -3.409) 10.582 20.753 ( 0.308 -9.300 -4.001) 10.129 20.770 ( -0.285 -9.115 -3.990) 9.954 25.365 ( 2.932 53.957 1.219) 54.051 25.535 ( -2.466 49.457 0.484) 49.521 25.638 ( -0.373 49.885 -0.501) 49.889 25.661 ( -1.523 50.982 -0.265) 51.005 27.397 ( 1.102 -50.752 1.020) 50.774 27.457 ( -1.066 -49.915 0.893) 49.934 27.603 ( 1.046 -52.400 -0.607) 52.414 27.667 ( -1.278 -52.549 -0.806) 52.571 36.915 ( 1.063 21.660 4.828) 22.217 36.983 ( -1.457 22.260 5.484) 22.972 37.348 ( 1.235 1.058 4.572) 4.853 37.419 ( -1.471 1.643 4.467) 4.982 38.225 ( 12.420 19.695 -5.584) 23.944 38.495 ( 5.441 6.642 -4.505) 9.696 38.814 ( -5.962 17.350 -6.843) 19.580 39.101 ( -21.049 1.990 -12.070) 24.346 42.304 ( 1.900 14.196 3.194) 14.674 42.457 ( -5.052 9.846 2.561) 11.359 42.549 ( 13.448 2.375 -0.790) 13.679 42.745 ( 4.979 -2.080 0.381) 5.409 43.034 ( 1.317 -17.334 -0.940) 17.409 43.109 ( -1.092 -13.524 -1.560) 13.657 43.611 ( 1.768 -0.747 -4.275) 4.687 43.895 ( -7.097 -16.588 -7.586) 19.572 ======================= Grid point 92 (39/105) ======================= q-point: (-0.50 0.42 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -4.210 11.434 4.774) 13.086 2.614 ( 4.210 11.434 4.774) 13.086 2.908 ( -2.169 -0.287 1.993) 2.960 2.908 ( 2.169 -0.287 1.993) 2.960 3.435 ( -3.078 5.132 -3.202) 6.787 3.435 ( 3.078 5.132 -3.202) 6.787 3.631 ( -5.808 -3.422 -4.845) 8.301 3.631 ( 5.808 -3.422 -4.845) 8.301 4.016 ( -5.700 5.247 5.940) 9.762 4.016 ( 5.700 5.247 5.940) 9.762 4.431 ( -10.356 -1.117 5.764) 11.905 4.431 ( 10.356 -1.117 5.764) 11.905 4.943 ( -9.770 -0.724 -7.572) 12.382 4.943 ( 9.770 -0.724 -7.572) 12.382 5.076 ( -5.093 -8.685 -1.669) 10.205 5.076 ( 5.093 -8.685 -1.669) 10.205 5.605 ( -5.992 4.099 -16.974) 18.461 5.605 ( 5.992 4.099 -16.974) 18.461 5.826 ( -2.915 4.454 1.087) 5.433 5.826 ( 2.915 4.454 1.087) 5.433 6.199 ( -6.934 -8.838 1.284) 11.306 6.199 ( 6.934 -8.838 1.284) 11.306 6.337 ( -5.236 5.548 4.255) 8.735 6.337 ( 5.236 5.548 4.255) 8.735 6.888 ( -4.341 -4.257 9.650) 11.406 6.888 ( 4.341 -4.257 9.650) 11.406 7.097 ( -10.479 1.546 -3.016) 11.013 7.097 ( 10.479 1.546 -3.016) 11.013 8.260 ( -2.299 0.433 -10.814) 11.064 8.260 ( 2.299 0.433 -10.814) 11.064 8.638 ( -3.979 3.844 -3.323) 6.454 8.638 ( 3.979 3.844 -3.323) 6.454 8.846 ( -0.882 -0.399 12.615) 12.653 8.846 ( 0.882 -0.399 12.615) 12.653 9.446 ( -1.711 -5.730 5.169) 7.904 9.446 ( 1.711 -5.730 5.169) 7.904 12.611 ( -2.123 35.867 1.652) 35.968 12.611 ( 2.123 35.867 1.652) 35.968 12.880 ( -0.752 47.165 -0.416) 47.173 12.880 ( 0.752 47.166 -0.416) 47.173 13.000 ( -6.048 36.551 0.245) 37.049 13.000 ( 6.048 36.551 0.245) 37.049 13.213 ( -11.906 30.361 -0.550) 32.617 13.213 ( 11.906 30.361 -0.550) 32.617 15.253 ( -2.900 -6.186 0.640) 6.862 15.253 ( 2.900 -6.186 0.640) 6.862 15.489 ( -5.773 -11.508 -1.552) 12.968 15.489 ( 5.773 -11.508 -1.552) 12.968 16.772 ( -0.377 -59.636 0.492) 59.639 16.772 ( 0.377 -59.636 0.492) 59.639 16.916 ( -0.417 -60.757 -0.594) 60.761 16.916 ( 0.417 -60.757 -0.594) 60.761 19.312 ( -0.717 -0.625 5.219) 5.305 19.312 ( 0.717 -0.625 5.219) 5.305 19.369 ( -0.479 -2.111 7.357) 7.669 19.369 ( 0.479 -2.111 7.357) 7.669 20.372 ( -0.638 10.096 -3.495) 10.703 20.372 ( 0.638 10.096 -3.495) 10.703 20.762 ( -0.419 -9.192 -4.002) 10.034 20.762 ( 0.419 -9.192 -4.002) 10.034 25.451 ( -4.587 52.101 0.996) 52.312 25.451 ( 4.587 52.101 0.996) 52.312 25.639 ( -0.556 50.350 -0.491) 50.356 25.639 ( 0.556 50.350 -0.491) 50.356 27.427 ( -1.551 -50.250 0.961) 50.283 27.427 ( 1.551 -50.250 0.961) 50.283 27.633 ( -1.630 -52.600 -0.709) 52.630 27.633 ( 1.630 -52.600 -0.709) 52.630 36.947 ( -1.730 21.938 5.115) 22.593 36.947 ( 1.730 21.938 5.115) 22.593 37.382 ( -1.779 1.262 4.486) 4.988 37.382 ( 1.779 1.262 4.486) 4.988 38.589 ( -15.305 12.889 -7.220) 21.272 38.589 ( 15.305 12.889 -7.220) 21.272 38.668 ( -2.070 12.213 -6.408) 13.947 38.668 ( 2.070 12.213 -6.408) 13.947 42.363 ( -3.583 12.067 3.064) 12.955 42.363 ( 3.583 12.067 3.064) 12.955 42.768 ( -4.445 -3.344 -1.019) 5.655 42.768 ( 4.445 -3.344 -1.019) 5.655 43.073 ( -2.040 -14.195 -1.328) 14.402 43.073 ( 2.040 -14.195 -1.328) 14.402 43.714 ( -7.918 -8.696 -5.970) 13.190 43.714 ( 7.918 -8.696 -5.970) 13.190 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 0.000 -9.845 6.003) 11.531 2.779 ( 0.000 9.845 6.003) 11.531 3.082 ( 0.000 -8.356 -6.026) 10.302 3.082 ( 0.000 8.356 -6.026) 10.302 3.260 ( 0.000 -8.063 3.736) 8.886 3.260 ( 0.000 8.063 3.736) 8.886 3.584 ( 0.000 -11.695 2.360) 11.931 3.584 ( 0.000 11.695 2.360) 11.931 3.869 ( 0.000 -0.864 3.085) 3.204 3.869 ( 0.000 0.864 3.085) 3.204 4.599 ( 0.000 -0.201 -6.429) 6.432 4.599 ( 0.000 0.201 -6.429) 6.432 4.963 ( 0.000 -4.740 2.568) 5.392 4.963 ( 0.000 4.740 2.568) 5.392 5.044 ( 0.000 -15.303 -14.116) 20.819 5.044 ( 0.000 15.303 -14.116) 20.819 5.513 ( 0.000 -2.947 -1.432) 3.276 5.513 ( 0.000 2.947 -1.432) 3.276 5.749 ( 0.000 -0.401 1.694) 1.741 5.749 ( 0.000 0.401 1.694) 1.741 6.056 ( 0.000 -12.273 -3.249) 12.696 6.056 ( 0.000 12.273 -3.249) 12.696 6.429 ( 0.000 -5.380 -1.869) 5.696 6.429 ( 0.000 5.380 -1.869) 5.696 6.832 ( 0.000 -1.606 12.362) 12.466 6.832 ( 0.000 1.606 12.362) 12.466 7.493 ( 0.000 -12.026 -3.707) 12.585 7.493 ( 0.000 12.026 -3.707) 12.585 8.269 ( 0.000 -0.520 -5.667) 5.691 8.269 ( 0.000 0.520 -5.667) 5.691 8.508 ( 0.000 -1.481 -6.221) 6.395 8.508 ( 0.000 1.481 -6.221) 6.395 8.839 ( 0.000 -0.084 12.189) 12.189 8.839 ( 0.000 0.084 12.189) 12.189 9.420 ( 0.000 -2.147 5.496) 5.900 9.420 ( 0.000 2.147 5.496) 5.900 12.939 ( 0.000 -12.441 0.579) 12.455 12.939 ( 0.000 12.441 0.579) 12.455 13.174 ( 0.000 -7.997 -3.658) 8.794 13.174 ( 0.000 7.997 -3.658) 8.794 13.371 ( 0.000 -6.359 4.393) 7.729 13.371 ( 0.000 6.359 4.393) 7.729 13.757 ( 0.000 -10.875 -0.716) 10.899 13.757 ( 0.000 10.875 -0.716) 10.899 15.624 ( 0.000 -50.692 0.076) 50.692 15.624 ( 0.000 50.692 0.076) 50.692 15.691 ( 0.000 -47.593 0.378) 47.595 15.691 ( 0.000 47.593 0.378) 47.595 15.786 ( 0.000 -48.689 -0.642) 48.693 15.786 ( 0.000 48.689 -0.642) 48.693 15.865 ( 0.000 -38.148 -0.711) 38.154 15.865 ( 0.000 38.148 -0.711) 38.154 19.310 ( 0.000 -1.805 6.609) 6.851 19.310 ( 0.000 1.805 6.609) 6.851 19.349 ( 0.000 -1.429 5.822) 5.994 19.349 ( 0.000 1.429 5.822) 5.994 20.557 ( 0.000 -10.383 -3.940) 11.106 20.557 ( 0.000 10.383 -3.940) 11.106 20.586 ( 0.000 -10.046 -3.829) 10.751 20.586 ( 0.000 10.046 -3.829) 10.751 26.377 ( 0.000 -52.888 1.080) 52.899 26.377 ( 0.000 52.888 1.080) 52.899 26.509 ( 0.000 -49.144 0.426) 49.145 26.509 ( 0.000 49.144 0.426) 49.145 26.603 ( 0.000 -49.792 -0.198) 49.792 26.603 ( 0.000 49.792 -0.198) 49.792 26.676 ( 0.000 -51.251 -0.589) 51.254 26.676 ( 0.000 51.251 -0.589) 51.254 37.229 ( 0.000 -11.468 4.908) 12.474 37.229 ( 0.000 11.468 4.908) 12.474 37.338 ( 0.000 -11.683 5.087) 12.742 37.338 ( 0.000 11.683 5.087) 12.742 38.387 ( 0.000 -9.168 -4.407) 10.172 38.387 ( 0.000 9.168 -4.407) 10.172 39.189 ( 0.000 -11.967 -10.319) 15.801 39.189 ( 0.000 11.967 -10.319) 15.801 42.505 ( 0.000 -7.804 1.332) 7.917 42.505 ( 0.000 7.804 1.332) 7.917 42.649 ( 0.000 -19.090 1.403) 19.141 42.649 ( 0.000 19.090 1.403) 19.141 42.834 ( 0.000 -15.149 -0.005) 15.149 42.834 ( 0.000 15.149 -0.005) 15.149 43.704 ( 0.000 -9.351 -5.708) 10.955 43.704 ( 0.000 9.351 -5.708) 10.955 ======================= Grid point 97 (41/105) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -0.626 0.000 3.507) 3.562 2.804 ( 1.498 -0.000 5.925) 6.112 2.869 ( -7.102 0.000 -2.748) 7.615 3.010 ( -8.632 0.000 3.552) 9.334 3.390 ( 11.939 -0.000 -7.359) 14.025 3.481 ( 6.807 0.000 -1.232) 6.917 3.546 ( -2.503 0.000 0.916) 2.666 3.560 ( -0.617 -0.000 0.596) 0.858 3.937 ( 6.962 -0.000 7.614) 10.317 3.972 ( 6.844 0.000 6.677) 9.561 4.449 ( -4.707 -0.000 -5.474) 7.219 4.642 ( -6.268 -0.000 1.251) 6.391 4.845 ( -4.093 0.000 -10.801) 11.551 4.893 ( 2.368 -0.000 -4.919) 5.460 5.019 ( -0.206 0.000 0.341) 0.398 5.260 ( -14.099 0.000 8.800) 16.619 5.401 ( 12.576 -0.000 -22.097) 25.425 5.617 ( 5.511 0.000 -8.131) 9.822 5.781 ( 6.202 -0.000 2.341) 6.629 5.860 ( 3.808 0.000 -3.001) 4.848 5.937 ( 2.866 0.000 -6.592) 7.188 6.289 ( -5.303 0.000 -2.227) 5.751 6.369 ( 5.514 -0.000 10.919) 12.233 6.401 ( -1.970 0.000 -2.537) 3.212 6.671 ( -1.013 0.000 7.532) 7.600 6.923 ( -1.482 0.000 14.059) 14.137 7.293 ( -11.741 0.000 -2.486) 12.001 7.374 ( -13.511 -0.000 -1.609) 13.606 8.213 ( 0.987 0.000 -9.945) 9.994 8.332 ( -4.931 -0.000 -9.774) 10.948 8.487 ( 11.396 0.000 -2.697) 11.711 8.668 ( 4.233 0.000 -3.248) 5.336 8.838 ( -0.004 0.000 9.919) 9.919 8.856 ( 0.561 0.000 13.500) 13.512 9.393 ( -1.282 0.000 4.801) 4.969 9.415 ( -1.244 -0.000 5.499) 5.638 12.950 ( 1.128 -0.000 0.996) 1.505 12.953 ( 1.414 0.000 0.884) 1.667 13.193 ( 1.537 0.000 -1.491) 2.141 13.255 ( 0.881 0.000 -2.963) 3.091 13.310 ( 2.034 0.000 2.721) 3.397 13.425 ( 2.488 0.000 3.318) 4.147 13.702 ( -3.535 0.000 -1.673) 3.910 13.740 ( -2.704 -0.000 -0.111) 2.707 15.624 ( 0.455 0.000 -0.233) 0.512 15.640 ( 0.822 0.000 0.525) 0.975 15.668 ( -0.904 -0.001 0.117) 0.911 15.676 ( -1.487 0.001 0.652) 1.624 15.799 ( 0.671 0.001 -0.703) 0.972 15.813 ( 2.153 -0.001 -0.622) 2.241 15.836 ( -1.394 -0.000 -1.557) 2.090 15.877 ( -0.127 0.000 -0.012) 0.127 19.313 ( 0.275 -0.000 6.527) 6.533 19.313 ( 0.288 0.000 6.544) 6.550 19.345 ( -0.300 -0.000 5.873) 5.881 19.346 ( -0.287 0.000 5.906) 5.913 20.558 ( 0.181 0.000 -3.934) 3.939 20.560 ( 0.206 -0.000 -3.875) 3.881 20.583 ( -0.180 -0.000 -3.898) 3.902 20.585 ( -0.155 0.000 -3.840) 3.843 26.389 ( 1.175 0.000 0.864) 1.459 26.395 ( 1.252 -0.000 1.173) 1.715 26.494 ( -0.803 -0.000 0.378) 0.887 26.500 ( -0.909 0.000 0.715) 1.156 26.594 ( -0.629 -0.000 -0.327) 0.709 26.603 ( -0.621 0.000 0.013) 0.621 26.657 ( -0.354 -0.000 -1.195) 1.246 26.678 ( -0.377 -0.000 -0.141) 0.402 37.235 ( 0.952 0.000 4.697) 4.792 37.249 ( 1.481 -0.000 5.158) 5.367 37.310 ( -1.867 -0.000 4.688) 5.046 37.326 ( -1.345 0.000 5.281) 5.449 38.484 ( 8.777 0.000 -5.070) 10.136 38.489 ( 9.011 -0.000 -4.848) 10.232 39.046 ( -11.820 -0.000 -9.268) 15.020 39.053 ( -11.598 0.000 -8.882) 14.609 42.521 ( 1.467 -0.000 0.699) 1.625 42.542 ( 1.496 0.000 1.624) 2.208 42.674 ( 2.213 -0.000 0.983) 2.422 42.689 ( 2.489 0.000 1.492) 2.902 42.854 ( 1.939 -0.000 -0.437) 1.988 42.857 ( 2.244 0.000 -0.393) 2.278 43.667 ( -2.614 -0.000 -5.751) 6.317 43.674 ( -2.552 0.000 -5.350) 5.928 ======================= Grid point 99 (42/105) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -1.962 0.000 0.001) 1.962 2.769 ( 1.962 0.000 0.001) 1.962 2.869 ( -4.422 -0.000 5.019) 6.689 2.869 ( 4.422 -0.000 5.019) 6.689 3.512 ( -0.224 0.000 0.315) 0.386 3.512 ( 0.224 0.000 0.315) 0.386 3.563 ( -3.141 0.000 -7.626) 8.248 3.563 ( 3.141 -0.000 -7.626) 8.248 4.066 ( -1.381 0.000 10.919) 11.006 4.066 ( 1.381 0.000 10.919) 11.006 4.460 ( -6.654 -0.000 -3.061) 7.325 4.460 ( 6.654 -0.000 -3.061) 7.325 4.914 ( -11.024 0.000 2.230) 11.247 4.914 ( 11.024 0.000 2.230) 11.247 4.982 ( -4.130 0.000 -5.118) 6.576 4.982 ( 4.130 0.000 -5.118) 6.576 5.642 ( -6.005 0.000 -21.346) 22.174 5.642 ( 6.005 -0.000 -21.346) 22.174 5.875 ( -1.790 -0.000 0.805) 1.963 5.875 ( 1.790 -0.000 0.805) 1.963 6.100 ( -8.481 0.000 3.021) 9.003 6.100 ( 8.481 0.000 3.021) 9.003 6.400 ( -1.755 -0.000 -0.715) 1.895 6.400 ( 1.755 0.000 -0.715) 1.895 6.822 ( -8.202 0.000 16.189) 18.148 6.822 ( 8.202 0.000 16.189) 18.148 7.127 ( -2.129 0.000 -3.623) 4.203 7.127 ( 2.129 0.000 -3.623) 4.203 8.262 ( -2.615 0.000 -11.056) 11.361 8.262 ( 2.615 0.000 -11.056) 11.361 8.678 ( -4.351 0.000 -2.573) 5.055 8.678 ( 4.351 0.000 -2.573) 5.055 8.842 ( -0.909 0.000 11.847) 11.882 8.842 ( 0.909 0.000 11.847) 11.882 9.386 ( -0.806 0.000 4.871) 4.937 9.386 ( 0.806 0.000 4.871) 4.937 12.975 ( -0.244 0.000 1.689) 1.707 12.975 ( 0.244 0.000 1.689) 1.707 13.209 ( -1.110 0.000 0.450) 1.198 13.209 ( 1.110 0.000 0.450) 1.198 13.435 ( -3.979 0.000 -0.404) 3.999 13.435 ( 3.979 0.000 -0.404) 3.999 13.668 ( -2.195 -0.000 -0.644) 2.288 13.668 ( 2.195 -0.000 -0.644) 2.288 15.639 ( -0.838 -0.000 0.202) 0.862 15.639 ( 0.838 -0.000 0.202) 0.862 15.660 ( -0.046 0.000 0.378) 0.381 15.660 ( 0.046 0.000 0.378) 0.381 15.812 ( -0.718 0.000 -1.402) 1.575 15.812 ( 0.718 -0.000 -1.402) 1.575 15.857 ( -1.647 -0.000 -0.116) 1.651 15.857 ( 1.647 -0.000 -0.116) 1.651 19.318 ( -0.028 -0.000 6.441) 6.441 19.318 ( 0.028 -0.000 6.441) 6.441 19.341 ( -0.042 0.000 5.979) 5.979 19.341 ( 0.042 0.000 5.979) 5.979 20.562 ( -0.080 -0.000 -3.856) 3.857 20.562 ( 0.080 0.000 -3.856) 3.857 20.581 ( -0.078 0.000 -3.922) 3.922 20.581 ( 0.078 -0.000 -3.922) 3.922 26.412 ( -0.252 -0.000 0.884) 0.919 26.412 ( 0.252 -0.000 0.884) 0.919 26.484 ( -0.133 0.000 0.795) 0.806 26.484 ( 0.133 0.000 0.795) 0.806 26.585 ( -0.276 0.000 -0.399) 0.486 26.585 ( 0.276 0.000 -0.399) 0.486 26.666 ( -0.718 -0.000 -0.519) 0.886 26.666 ( 0.718 -0.000 -0.519) 0.886 37.267 ( -1.775 0.000 4.741) 5.062 37.267 ( 1.775 0.000 4.741) 5.062 37.289 ( -1.858 -0.000 5.096) 5.425 37.289 ( 1.858 -0.000 5.096) 5.425 38.714 ( -1.756 0.000 -6.263) 6.504 38.714 ( 1.756 0.000 -6.263) 6.504 38.784 ( -1.857 -0.000 -7.140) 7.378 38.784 ( 1.857 -0.000 -7.140) 7.378 42.547 ( -0.750 0.000 1.083) 1.317 42.547 ( 0.750 0.000 1.083) 1.317 42.711 ( -0.656 -0.000 1.178) 1.349 42.711 ( 0.656 -0.000 1.178) 1.349 42.894 ( -0.259 0.000 -1.006) 1.039 42.894 ( 0.259 0.000 -1.006) 1.039 43.632 ( -0.313 0.000 -5.356) 5.365 43.632 ( 0.313 0.000 -5.356) 5.365 ======================= Grid point 130 (43/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.000 0.000 20.868) 20.868 1.212 ( 0.000 0.000 29.109) 29.109 1.903 ( 0.000 0.000 20.555) 20.555 2.507 ( 0.000 0.000 14.236) 14.236 2.711 ( 0.000 0.000 6.086) 6.086 2.726 ( 0.000 0.000 23.521) 23.521 2.980 ( 0.000 0.000 2.773) 2.773 3.123 ( 0.000 0.000 -15.000) 15.000 3.230 ( 0.000 0.000 -2.682) 2.682 3.791 ( 0.000 0.000 -3.258) 3.258 3.992 ( 0.000 0.000 1.036) 1.036 4.030 ( 0.000 0.000 4.664) 4.664 4.538 ( 0.000 0.000 -4.014) 4.014 4.594 ( 0.000 0.000 -2.819) 2.819 4.680 ( 0.000 0.000 -4.259) 4.259 4.840 ( 0.000 0.000 -4.760) 4.760 5.112 ( 0.000 0.000 -0.294) 0.294 5.226 ( 0.000 0.000 -1.120) 1.120 5.280 ( 0.000 0.000 8.526) 8.526 5.317 ( 0.000 0.000 -7.443) 7.443 5.334 ( 0.000 0.000 -0.145) 0.145 5.593 ( 0.000 0.000 11.879) 11.879 6.104 ( 0.000 0.000 5.933) 5.933 6.356 ( 0.000 0.000 7.684) 7.684 6.796 ( 0.000 0.000 8.145) 8.145 6.963 ( 0.000 0.000 9.548) 9.548 6.986 ( 0.000 0.000 10.033) 10.033 7.046 ( 0.000 0.000 -16.507) 16.507 7.603 ( 0.000 0.000 -32.326) 32.326 8.142 ( 0.000 0.000 -17.038) 17.038 8.219 ( 0.000 0.000 -11.152) 11.152 8.314 ( 0.000 0.000 -19.867) 19.867 8.899 ( 0.000 0.000 4.353) 4.353 9.227 ( 0.000 0.000 -0.011) 0.011 9.262 ( 0.000 0.000 12.628) 12.628 9.535 ( 0.000 0.000 -0.107) 0.107 9.629 ( 0.000 0.000 -1.960) 1.960 9.708 ( 0.000 0.000 4.771) 4.771 10.703 ( 0.000 0.000 1.486) 1.486 10.728 ( 0.000 0.000 12.920) 12.920 10.789 ( 0.000 0.000 0.816) 0.816 10.972 ( 0.000 0.000 2.245) 2.245 11.123 ( 0.000 0.000 0.757) 0.757 11.204 ( 0.000 0.000 -0.552) 0.552 18.425 ( 0.000 0.000 1.785) 1.785 18.558 ( 0.000 0.000 1.064) 1.064 18.594 ( 0.000 0.000 -1.479) 1.479 18.642 ( 0.000 0.000 -0.197) 0.197 18.867 ( 0.000 0.000 1.564) 1.564 18.936 ( 0.000 0.000 1.248) 1.248 18.996 ( 0.000 0.000 -1.249) 1.249 19.079 ( 0.000 0.000 -1.291) 1.291 19.658 ( 0.000 0.000 16.829) 16.829 20.482 ( 0.000 0.000 -2.057) 2.057 20.561 ( 0.000 0.000 0.769) 0.769 20.697 ( 0.000 0.000 -2.170) 2.170 20.736 ( 0.000 0.000 1.375) 1.375 20.764 ( 0.000 0.000 1.724) 1.724 20.864 ( 0.000 0.000 -1.335) 1.335 20.921 ( 0.000 0.000 -1.134) 1.134 21.392 ( 0.000 0.000 5.020) 5.020 21.888 ( 0.000 0.000 0.698) 0.698 21.898 ( 0.000 0.000 -3.255) 3.255 21.987 ( 0.000 0.000 -1.220) 1.220 31.894 ( 0.000 0.000 0.485) 0.485 31.911 ( 0.000 0.000 -0.037) 0.037 31.928 ( 0.000 0.000 0.165) 0.165 31.935 ( 0.000 0.000 0.254) 0.254 34.726 ( 0.000 0.000 0.279) 0.279 34.728 ( 0.000 0.000 0.237) 0.237 34.751 ( 0.000 0.000 -0.212) 0.212 34.759 ( 0.000 0.000 -0.385) 0.385 35.285 ( 0.000 0.000 1.362) 1.362 35.417 ( 0.000 0.000 -1.065) 1.065 35.440 ( 0.000 0.000 0.647) 0.647 35.469 ( 0.000 0.000 0.079) 0.079 41.797 ( 0.000 0.000 -1.358) 1.358 41.842 ( 0.000 0.000 -1.250) 1.250 42.615 ( 0.000 0.000 25.219) 25.219 43.064 ( 0.000 0.000 4.567) 4.567 43.201 ( 0.000 0.000 7.604) 7.604 43.820 ( 0.000 0.000 -12.362) 12.362 44.103 ( 0.000 0.000 -9.072) 9.072 46.029 ( 0.000 0.000 -46.502) 46.502 ======================= Grid point 131 (44/105) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 35.575 0.000 12.384) 37.669 1.504 ( 18.751 0.000 22.875) 29.578 2.278 ( 16.640 0.000 6.450) 17.846 2.432 ( -7.974 0.000 14.478) 16.529 2.636 ( -8.849 0.000 4.366) 9.868 2.733 ( 23.930 0.000 20.766) 31.684 3.062 ( -5.909 0.000 -6.792) 9.002 3.068 ( 0.353 0.000 8.577) 8.584 3.273 ( -3.479 0.000 -5.509) 6.515 3.641 ( -2.017 0.000 2.843) 3.486 3.891 ( 10.292 0.000 -3.469) 10.861 4.300 ( -7.695 0.000 -7.251) 10.573 4.385 ( -16.168 0.000 0.426) 16.174 4.459 ( 7.834 0.000 2.764) 8.308 4.714 ( -3.206 0.000 -3.059) 4.431 4.849 ( -2.365 0.000 -3.750) 4.434 4.977 ( -21.249 0.000 -0.384) 21.252 5.144 ( 3.146 0.000 -0.790) 3.243 5.170 ( -6.627 0.000 1.422) 6.777 5.263 ( -2.461 0.000 -3.527) 4.301 5.428 ( 4.376 0.000 7.517) 8.698 5.774 ( -19.752 0.000 12.730) 23.499 5.794 ( 14.959 0.000 7.978) 16.953 6.344 ( -3.755 0.000 8.901) 9.661 6.737 ( 0.137 0.000 4.067) 4.069 6.841 ( 14.065 0.000 -6.982) 15.703 7.007 ( -0.658 0.000 12.289) 12.306 7.595 ( 1.285 0.000 -30.083) 30.111 7.700 ( -12.854 0.000 -14.693) 19.523 7.934 ( 27.590 0.000 -8.698) 28.929 7.985 ( -11.869 0.000 -16.158) 20.049 8.597 ( 8.308 0.000 -13.526) 15.874 9.013 ( 8.469 0.000 1.668) 8.631 9.029 ( -5.603 0.000 8.297) 10.012 9.321 ( -10.483 0.000 -1.094) 10.540 9.417 ( -10.205 0.000 -0.198) 10.207 9.773 ( 22.656 0.000 0.481) 22.662 9.977 ( 15.217 0.000 4.033) 15.742 10.598 ( -10.299 0.000 10.413) 14.646 10.710 ( -15.565 0.000 3.733) 16.006 10.802 ( 4.399 0.000 0.496) 4.426 10.873 ( 6.170 0.000 1.548) 6.361 11.110 ( -3.638 0.000 1.253) 3.847 11.156 ( -4.346 0.000 0.154) 4.349 18.444 ( 1.676 0.000 1.626) 2.335 18.538 ( -1.750 0.000 1.107) 2.071 18.598 ( 0.392 0.000 -1.259) 1.319 18.630 ( -0.885 0.000 -0.341) 0.949 18.882 ( 1.165 0.000 1.534) 1.926 18.931 ( -0.587 0.000 1.337) 1.460 19.011 ( 1.221 0.000 -1.202) 1.713 19.069 ( -0.883 0.000 -1.231) 1.515 19.697 ( 4.138 0.000 17.520) 18.002 20.349 ( -25.721 0.000 11.233) 28.067 20.487 ( 0.553 0.000 -1.896) 1.975 20.542 ( -1.506 0.000 0.043) 1.507 20.741 ( 0.435 0.000 1.550) 1.610 20.761 ( -0.264 0.000 1.812) 1.831 20.892 ( 1.167 0.000 -0.956) 1.508 20.925 ( -0.080 0.000 -0.997) 1.000 21.392 ( 0.255 0.000 5.319) 5.326 21.588 ( -13.961 0.000 9.445) 16.856 21.908 ( 0.926 0.000 -3.163) 3.295 21.970 ( -1.369 0.000 -1.770) 2.237 31.904 ( 0.679 0.000 0.394) 0.785 31.915 ( 0.388 0.000 0.029) 0.389 31.927 ( -0.181 0.000 0.195) 0.266 31.933 ( -0.241 0.000 0.232) 0.334 34.725 ( -0.038 0.000 0.268) 0.271 34.727 ( -0.103 0.000 0.242) 0.263 34.751 ( 0.047 0.000 -0.250) 0.254 34.757 ( -0.153 0.000 -0.370) 0.400 35.309 ( 2.077 0.000 1.275) 2.437 35.419 ( -1.903 0.000 0.772) 2.054 35.432 ( 0.992 0.000 -1.118) 1.495 35.466 ( -0.365 0.000 -0.156) 0.397 41.916 ( 10.332 0.000 2.301) 10.585 42.484 ( -10.931 0.000 19.763) 22.585 42.993 ( 64.400 0.000 -39.452) 75.524 43.104 ( 2.806 0.000 7.023) 7.563 43.191 ( -0.906 0.000 7.952) 8.003 43.794 ( -2.595 0.000 -13.545) 13.792 44.324 ( 26.727 0.000 -21.241) 34.140 45.853 ( -17.079 0.000 -49.901) 52.743 ======================= Grid point 132 (45/105) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -20.585 0.000 20.179) 28.826 1.928 ( 20.585 0.000 20.179) 28.826 2.168 ( -33.002 0.000 5.605) 33.474 2.168 ( 33.002 0.000 5.605) 33.474 2.794 ( -15.485 0.000 -1.435) 15.551 2.794 ( 15.485 0.000 -1.435) 15.551 3.066 ( -7.318 0.000 -1.843) 7.546 3.066 ( 7.318 0.000 -1.843) 7.546 3.730 ( -47.762 0.000 14.192) 49.826 3.730 ( 47.762 0.000 14.192) 49.826 3.937 ( -19.480 0.000 -3.723) 19.833 3.937 ( 19.480 0.000 -3.723) 19.833 4.216 ( -19.853 0.000 -3.138) 20.100 4.216 ( 19.853 0.000 -3.138) 20.100 4.703 ( -10.100 0.000 -2.734) 10.463 4.703 ( 10.100 0.000 -2.734) 10.463 4.979 ( -9.176 0.000 2.654) 9.552 4.979 ( 9.176 0.000 2.654) 9.552 5.216 ( -2.652 0.000 -1.081) 2.863 5.216 ( 2.652 0.000 -1.081) 2.863 5.532 ( -5.957 0.000 9.980) 11.623 5.532 ( 5.957 0.000 9.980) 11.623 6.132 ( -14.401 0.000 7.336) 16.161 6.132 ( 14.401 0.000 7.336) 16.161 6.872 ( -9.589 0.000 6.764) 11.735 6.872 ( 9.589 0.000 6.764) 11.735 7.248 ( -20.968 0.000 -11.291) 23.815 7.248 ( 20.968 0.000 -11.291) 23.815 7.727 ( -10.368 0.000 -20.295) 22.789 7.727 ( 10.368 0.000 -20.295) 22.789 8.540 ( -17.038 0.000 -14.723) 22.518 8.540 ( 17.038 0.000 -14.723) 22.518 9.051 ( -9.417 0.000 6.376) 11.372 9.051 ( 9.417 0.000 6.376) 11.372 9.209 ( -9.289 0.000 -0.176) 9.291 9.209 ( 9.289 0.000 -0.176) 9.291 10.271 ( -22.248 0.000 0.496) 22.253 10.271 ( 22.248 0.000 0.496) 22.253 10.314 ( -15.179 0.000 7.136) 16.772 10.314 ( 15.179 0.000 7.136) 16.772 10.972 ( -8.242 0.000 1.492) 8.376 10.972 ( 8.242 0.000 1.492) 8.376 11.026 ( -7.221 0.000 1.029) 7.294 11.026 ( 7.221 0.000 1.029) 7.294 18.490 ( -2.410 0.000 1.310) 2.743 18.490 ( 2.410 0.000 1.310) 2.743 18.611 ( -0.781 0.000 -0.779) 1.103 18.611 ( 0.781 0.000 -0.779) 1.103 18.910 ( -1.274 0.000 1.479) 1.952 18.910 ( 1.274 0.000 1.479) 1.952 19.042 ( -1.490 0.000 -1.165) 1.891 19.042 ( 1.490 0.000 -1.165) 1.891 19.884 ( -14.579 0.000 18.803) 23.793 19.884 ( 14.579 0.000 18.803) 23.793 20.508 ( -1.378 0.000 -1.195) 1.824 20.508 ( 1.378 0.000 -1.195) 1.824 20.752 ( -0.536 0.000 1.798) 1.877 20.752 ( 0.536 0.000 1.798) 1.877 20.914 ( -0.840 0.000 -0.707) 1.097 20.914 ( 0.840 0.000 -0.707) 1.097 21.424 ( -3.318 0.000 6.574) 7.364 21.424 ( 3.318 0.000 6.574) 7.364 21.936 ( -1.589 0.000 -2.691) 3.125 21.936 ( 1.589 0.000 -2.691) 3.125 31.918 ( -0.598 0.000 0.354) 0.695 31.918 ( 0.598 0.000 0.354) 0.695 31.925 ( -0.443 0.000 0.152) 0.468 31.925 ( 0.443 0.000 0.152) 0.468 34.725 ( -0.044 0.000 0.253) 0.256 34.725 ( 0.044 0.000 0.253) 0.256 34.754 ( -0.161 0.000 -0.332) 0.369 34.754 ( 0.161 0.000 -0.332) 0.369 35.365 ( -2.806 0.000 1.042) 2.993 35.365 ( 2.806 0.000 1.042) 2.993 35.452 ( -0.858 0.000 -0.618) 1.058 35.452 ( 0.858 0.000 -0.618) 1.058 42.197 ( -14.389 0.000 10.726) 17.947 42.197 ( 14.389 0.000 10.726) 17.947 43.159 ( -2.074 0.000 8.295) 8.551 43.159 ( 2.074 0.000 8.295) 8.551 43.676 ( -10.392 0.000 -19.975) 22.516 43.676 ( 10.392 0.000 -19.975) 22.516 45.230 ( -41.408 0.000 -53.749) 67.850 45.230 ( 41.408 0.000 -53.749) 67.850 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 26.076 22.759) 34.612 1.781 ( 0.000 37.139 20.986) 42.658 2.207 ( 0.000 43.632 18.779) 47.502 2.656 ( 0.000 -5.238 17.955) 18.704 2.885 ( 0.000 13.987 7.508) 15.875 2.972 ( 0.000 40.305 3.345) 40.443 3.179 ( 0.000 13.684 1.884) 13.813 3.212 ( 0.000 7.529 -9.489) 12.113 3.302 ( 0.000 7.903 -2.177) 8.198 4.020 ( 0.000 -3.083 3.408) 4.596 4.094 ( 0.000 28.441 -4.019) 28.724 4.266 ( 0.000 27.925 0.408) 27.928 4.336 ( 0.000 -15.212 -4.651) 15.907 4.578 ( 0.000 9.168 0.978) 9.220 4.808 ( 0.000 8.206 -7.881) 11.377 5.031 ( 0.000 -7.719 -0.331) 7.726 5.128 ( 0.000 18.850 -8.642) 20.737 5.160 ( 0.000 -5.302 -1.127) 5.421 5.246 ( 0.000 -7.146 -1.087) 7.228 5.368 ( 0.000 3.612 -5.625) 6.685 5.417 ( 0.000 15.209 5.469) 16.162 5.603 ( 0.000 1.646 4.636) 4.919 6.053 ( 0.000 -4.504 8.364) 9.499 6.339 ( 0.000 -1.766 8.233) 8.421 6.763 ( 0.000 -2.955 -0.377) 2.979 6.828 ( 0.000 -7.399 10.658) 12.974 7.068 ( 0.000 2.867 9.215) 9.651 7.168 ( 0.000 12.041 -8.944) 14.999 7.571 ( 0.000 -3.321 -30.146) 30.329 8.083 ( 0.000 -4.363 -17.168) 17.714 8.227 ( 0.000 -6.863 -14.725) 16.246 8.233 ( 0.000 0.470 -11.764) 11.773 8.971 ( 0.000 7.558 4.681) 8.891 9.207 ( 0.000 0.499 3.082) 3.122 9.241 ( 0.000 -1.678 12.551) 12.663 9.587 ( 0.000 5.824 0.377) 5.836 9.740 ( 0.000 10.176 -3.037) 10.619 9.752 ( 0.000 2.697 4.321) 5.094 10.617 ( 0.000 -11.808 13.471) 17.913 10.818 ( 0.000 -10.295 6.059) 11.946 10.865 ( 0.000 15.604 2.184) 15.757 10.930 ( 0.000 13.835 1.313) 13.897 11.268 ( 0.000 8.024 -0.161) 8.025 11.305 ( 0.000 17.442 -0.748) 17.458 18.039 ( 0.000 -33.563 0.119) 33.563 18.152 ( 0.000 -37.814 0.050) 37.814 18.192 ( 0.000 -33.922 -1.083) 33.939 18.236 ( 0.000 -33.741 -1.201) 33.762 18.846 ( 0.000 -1.923 2.097) 2.845 18.919 ( 0.000 -1.707 1.696) 2.406 19.026 ( 0.000 2.138 -1.636) 2.693 19.102 ( 0.000 1.785 -1.679) 2.451 19.752 ( 0.000 5.008 18.367) 19.037 20.526 ( 0.000 -8.642 12.093) 14.863 20.601 ( 0.000 -13.701 1.194) 13.753 20.625 ( 0.000 -13.808 1.426) 13.882 20.729 ( 0.000 -13.599 -1.014) 13.637 20.774 ( 0.000 15.756 -2.091) 15.894 20.777 ( 0.000 -14.477 -1.030) 14.513 20.899 ( 0.000 11.444 -1.798) 11.584 21.648 ( 0.000 24.554 4.168) 24.905 21.898 ( 0.000 22.056 4.639) 22.538 22.095 ( 0.000 22.291 -2.828) 22.470 22.213 ( 0.000 20.930 -2.790) 21.115 31.383 ( 0.000 -41.953 2.127) 42.007 31.434 ( 0.000 -40.124 1.738) 40.161 31.591 ( 0.000 -35.568 -1.997) 35.624 31.617 ( 0.000 -34.831 -1.547) 34.866 34.904 ( 0.000 16.226 0.883) 16.250 34.932 ( 0.000 18.517 1.774) 18.601 35.050 ( 0.000 29.515 -1.850) 29.573 35.546 ( 0.000 27.883 3.709) 28.129 35.657 ( 0.000 26.446 3.074) 26.624 35.907 ( 0.000 39.516 -2.935) 39.625 35.952 ( 0.000 38.430 -2.527) 38.513 35.979 ( 0.000 97.207 -47.473) 108.180 41.800 ( 0.000 0.565 -0.568) 0.801 41.865 ( 0.000 2.289 -1.555) 2.767 42.587 ( 0.000 -2.741 24.076) 24.232 43.073 ( 0.000 0.109 4.591) 4.592 43.193 ( 0.000 -0.200 4.663) 4.667 43.793 ( 0.000 -2.791 -11.547) 11.879 44.054 ( 0.000 -4.843 -8.093) 9.431 45.828 ( 0.000 -19.798 -43.459) 47.756 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 12.345 14.691 21.360) 28.714 2.006 ( 19.028 34.007 15.756) 42.033 2.420 ( -15.115 5.258 17.066) 23.396 2.681 ( 30.500 27.244 9.225) 41.924 2.893 ( 2.390 20.563 2.025) 20.800 3.080 ( -5.362 9.654 -1.974) 11.218 3.132 ( 13.213 35.735 7.408) 38.813 3.324 ( 1.385 9.939 -4.685) 11.075 3.435 ( 5.904 18.216 3.518) 19.469 3.664 ( -11.517 5.785 5.044) 13.840 4.063 ( -0.140 16.919 -6.030) 17.962 4.194 ( -11.340 -7.497 -4.751) 14.401 4.421 ( -11.632 7.062 -0.153) 13.609 4.564 ( 12.347 11.541 0.154) 16.901 4.815 ( -9.441 7.176 -6.129) 13.349 4.930 ( -8.061 -0.284 0.725) 8.098 5.046 ( -8.584 11.338 -6.124) 15.483 5.145 ( -0.283 -0.028 -1.639) 1.663 5.162 ( -2.511 3.825 -2.026) 5.004 5.271 ( -3.834 1.528 -3.840) 5.638 5.423 ( 2.825 1.378 9.634) 10.133 5.806 ( -1.405 4.203 9.497) 10.480 5.813 ( -1.319 1.666 8.094) 8.368 6.323 ( -2.945 -1.858 9.201) 9.838 6.718 ( 8.103 -0.930 1.444) 8.283 6.908 ( 2.165 4.899 -3.664) 6.490 7.021 ( 3.391 2.671 11.665) 12.438 7.542 ( 1.954 -7.288 -23.018) 24.223 7.644 ( -1.962 -4.250 -18.049) 18.646 7.887 ( 5.321 -1.997 -9.284) 10.886 8.019 ( -3.424 2.968 -14.875) 15.550 8.473 ( 5.812 -10.514 -13.309) 17.929 9.038 ( 0.775 3.574 7.363) 8.221 9.075 ( 0.508 4.183 5.903) 7.253 9.302 ( -4.494 1.399 1.481) 4.935 9.527 ( -11.016 8.642 -0.657) 14.017 9.763 ( 16.184 0.097 1.963) 16.303 9.988 ( 13.058 0.755 4.028) 13.686 10.495 ( -11.467 -12.753 10.567) 20.144 10.579 ( -14.856 -6.180 7.565) 17.780 10.950 ( 5.808 15.018 2.302) 16.266 11.014 ( 6.343 13.091 0.971) 14.579 11.269 ( -2.688 18.474 -0.690) 18.682 11.329 ( 1.275 12.641 -2.488) 12.946 18.057 ( 1.603 -33.833 0.238) 33.872 18.140 ( -1.257 -36.701 0.571) 36.727 18.193 ( 0.307 -34.168 -1.625) 34.208 18.227 ( -0.788 -33.973 -1.377) 34.010 18.859 ( 1.159 -1.953 2.060) 3.066 18.912 ( -0.732 -1.809 1.778) 2.640 19.040 ( 1.131 2.084 -1.630) 2.877 19.093 ( -0.798 1.837 -1.660) 2.601 19.793 ( 4.281 4.797 19.076) 20.130 20.321 ( -17.050 -7.341 17.630) 25.601 20.606 ( 0.289 -12.749 1.174) 12.806 20.621 ( -0.315 -13.114 1.242) 13.176 20.737 ( 0.602 -8.855 -0.829) 8.914 20.765 ( -0.659 7.977 -1.565) 8.156 20.780 ( 0.361 -5.499 -1.408) 5.688 20.843 ( -3.089 11.928 -0.805) 12.348 21.647 ( 0.131 25.013 4.342) 25.387 21.771 ( -7.631 27.079 6.336) 28.838 22.097 ( 0.601 21.620 -3.066) 21.845 22.168 ( -2.461 21.230 -2.306) 21.496 31.394 ( 0.879 -41.814 2.064) 41.874 31.430 ( -0.462 -40.464 1.817) 40.507 31.596 ( 0.357 -35.480 -1.916) 35.534 31.613 ( -0.290 -34.979 -1.597) 35.017 34.908 ( 0.336 16.446 0.983) 16.478 34.928 ( -0.360 18.077 1.658) 18.156 35.082 ( 3.230 32.888 -2.603) 33.148 35.506 ( -10.419 46.146 -5.893) 47.673 35.635 ( -5.599 39.276 -3.871) 39.861 35.658 ( -6.033 41.448 -4.261) 42.101 35.917 ( 0.348 39.496 -3.224) 39.629 35.946 ( -0.600 38.596 -2.590) 38.688 41.924 ( 9.862 0.898 2.428) 10.196 42.457 ( -9.220 -2.629 18.530) 20.864 42.859 ( 48.240 -9.607 -22.017) 53.890 43.124 ( 4.329 -1.630 5.444) 7.144 43.223 ( 9.106 3.223 -4.668) 10.728 43.767 ( -2.589 -2.780 -12.696) 13.252 44.235 ( 21.762 -8.342 -16.996) 28.845 45.648 ( -17.388 -20.125 -45.857) 53.012 ======================= Grid point 137 (48/105) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -17.908 5.493 19.215) 26.834 1.968 ( 17.908 5.493 19.215) 26.834 2.619 ( -25.542 32.613 5.915) 41.844 2.619 ( 25.542 32.613 5.915) 41.844 3.016 ( -6.626 1.877 0.110) 6.888 3.016 ( 6.626 1.877 0.110) 6.888 3.310 ( -11.691 36.809 -2.162) 38.681 3.310 ( 11.691 36.809 -2.162) 38.681 3.770 ( -19.674 -0.028 3.568) 19.995 3.770 ( 19.674 -0.028 3.568) 19.995 3.955 ( -23.870 9.605 4.424) 26.108 3.955 ( 23.870 9.605 4.424) 26.108 4.285 ( -18.136 8.281 -3.346) 20.216 4.285 ( 18.136 8.281 -3.346) 20.216 4.824 ( -11.285 7.347 -3.452) 13.902 4.824 ( 11.285 7.347 -3.452) 13.902 5.034 ( -7.963 8.527 -0.239) 11.670 5.034 ( 7.963 8.527 -0.239) 11.670 5.208 ( -2.847 -1.059 -2.710) 4.070 5.208 ( 2.847 -1.059 -2.710) 4.070 5.539 ( -7.805 3.207 10.723) 13.645 5.539 ( 7.805 3.207 10.723) 13.645 6.137 ( -13.481 0.417 7.822) 15.591 6.137 ( 13.481 0.417 7.822) 15.591 6.890 ( -7.988 2.204 5.046) 9.702 6.890 ( 7.988 2.204 5.046) 9.702 7.248 ( -18.758 -0.586 -9.088) 20.852 7.248 ( 18.758 -0.586 -9.088) 20.852 7.721 ( -10.656 -0.403 -19.500) 22.225 7.721 ( 10.656 -0.403 -19.500) 22.225 8.401 ( -14.697 -11.578 -14.095) 23.425 8.401 ( 14.697 -11.578 -14.095) 23.425 9.059 ( -4.815 2.090 9.153) 10.551 9.059 ( 4.815 2.090 9.153) 10.551 9.304 ( -7.679 8.409 -0.564) 11.402 9.304 ( 7.679 8.409 -0.564) 11.402 10.149 ( -17.835 -8.138 4.076) 20.023 10.149 ( 17.835 -8.138 4.076) 20.023 10.285 ( -13.643 -2.853 7.241) 15.707 10.285 ( 13.643 -2.853 7.241) 15.707 11.069 ( -3.619 11.367 1.902) 12.079 11.069 ( 3.619 11.367 1.902) 12.079 11.276 ( -4.422 20.297 -2.550) 20.929 11.276 ( 4.422 20.297 -2.550) 20.929 18.101 ( -2.162 -34.808 0.548) 34.880 18.101 ( 2.162 -34.808 0.548) 34.880 18.207 ( -0.878 -34.365 -1.687) 34.417 18.207 ( 0.878 -34.365 -1.687) 34.417 18.888 ( -1.352 -1.936 1.945) 3.060 18.888 ( 1.352 -1.936 1.945) 3.060 19.069 ( -1.377 1.961 -1.633) 2.900 19.069 ( 1.377 1.961 -1.633) 2.900 19.968 ( -12.642 2.240 20.581) 24.257 19.968 ( 12.642 2.240 20.581) 24.257 20.613 ( -0.372 -12.277 1.032) 12.326 20.613 ( 0.372 -12.277 1.032) 12.326 20.751 ( -0.620 -2.582 -0.841) 2.785 20.751 ( 0.620 -2.582 -0.841) 2.785 20.797 ( -1.325 5.354 -1.113) 5.627 20.797 ( 1.325 5.354 -1.113) 5.627 21.668 ( -2.222 26.344 5.094) 26.924 21.668 ( 2.222 26.344 5.094) 26.924 22.123 ( -1.705 21.144 -2.805) 21.397 22.123 ( 1.705 21.144 -2.805) 21.397 31.414 ( -0.901 -41.190 1.967) 41.247 31.414 ( 0.901 -41.190 1.967) 41.247 31.605 ( -0.450 -35.245 -1.738) 35.291 31.605 ( 0.450 -35.245 -1.738) 35.291 34.918 ( -0.511 17.144 1.296) 17.201 34.918 ( 0.511 17.144 1.296) 17.201 35.214 ( -9.778 44.618 -5.777) 46.041 35.214 ( 9.778 44.618 -5.777) 46.041 35.622 ( -1.365 28.099 2.931) 28.285 35.622 ( 1.365 28.099 2.931) 28.285 35.930 ( -0.737 38.940 -2.776) 39.045 35.930 ( 0.737 38.940 -2.776) 39.045 42.191 ( -13.600 -0.538 10.562) 17.228 42.191 ( 13.600 -0.538 10.562) 17.228 43.129 ( -2.283 -2.977 7.029) 7.968 43.129 ( 2.283 -2.977 7.029) 7.968 43.650 ( -10.281 -2.727 -18.759) 21.565 43.650 ( 10.281 -2.727 -18.759) 21.565 45.034 ( -39.359 -18.768 -46.456) 63.715 45.034 ( 39.359 -18.768 -46.456) 63.715 ======================= Grid point 140 (49/105) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.000 10.464 30.680) 32.415 2.094 ( 0.000 32.711 14.400) 35.741 2.579 ( 0.000 -1.930 13.592) 13.729 2.933 ( 0.000 7.599 -0.140) 7.601 3.260 ( 0.000 9.228 2.169) 9.480 3.339 ( 0.000 3.363 -0.274) 3.374 3.373 ( 0.000 8.666 -5.574) 10.304 3.476 ( 0.000 43.259 2.242) 43.317 3.795 ( 0.000 -20.093 4.187) 20.525 4.043 ( 0.000 48.594 -0.043) 48.594 4.065 ( 0.000 -11.566 -10.512) 15.629 4.348 ( 0.000 2.327 -1.692) 2.877 4.793 ( 0.000 -10.614 -9.672) 14.360 4.902 ( 0.000 28.198 1.678) 28.248 4.913 ( 0.000 -8.536 -4.840) 9.813 5.078 ( 0.000 -4.006 -1.920) 4.442 5.177 ( 0.000 8.140 0.217) 8.142 5.210 ( 0.000 35.560 2.154) 35.626 5.444 ( 0.000 2.834 -1.799) 3.356 5.476 ( 0.000 9.451 5.497) 10.934 5.647 ( 0.000 27.252 0.885) 27.267 5.961 ( 0.000 30.897 -16.915) 35.224 5.968 ( 0.000 -3.342 10.387) 10.912 6.305 ( 0.000 -0.172 9.190) 9.192 6.660 ( 0.000 -8.099 -7.825) 11.261 6.705 ( 0.000 -5.520 9.555) 11.035 7.096 ( 0.000 0.419 9.706) 9.715 7.453 ( 0.000 -0.788 -10.200) 10.230 7.536 ( 0.000 17.368 -15.784) 23.469 8.007 ( 0.000 -3.108 -18.041) 18.307 8.165 ( 0.000 2.889 -7.154) 7.715 8.234 ( 0.000 -0.175 -11.384) 11.385 9.186 ( 0.000 11.980 11.657) 16.716 9.207 ( 0.000 -1.859 12.839) 12.973 9.348 ( 0.000 17.367 3.601) 17.736 9.769 ( 0.000 -0.968 4.250) 4.359 9.801 ( 0.000 18.291 1.343) 18.340 10.005 ( 0.000 17.149 -1.121) 17.186 10.418 ( 0.000 -1.827 8.275) 8.474 10.658 ( 0.000 -5.791 4.682) 7.447 11.223 ( 0.000 20.327 1.719) 20.399 11.303 ( 0.000 22.356 0.992) 22.378 11.489 ( 0.000 16.493 2.329) 16.657 11.805 ( 0.000 31.574 -3.211) 31.737 17.268 ( 0.000 -43.705 0.174) 43.706 17.320 ( 0.000 -44.837 0.606) 44.841 17.424 ( 0.000 -42.482 -1.870) 42.523 17.527 ( 0.000 -38.262 -4.146) 38.486 18.788 ( 0.000 -4.837 2.836) 5.607 18.857 ( 0.000 -5.782 2.498) 6.298 19.022 ( 0.000 -4.883 -1.899) 5.240 19.101 ( 0.000 -3.990 -2.053) 4.488 19.782 ( 0.000 -1.331 18.442) 18.490 20.171 ( 0.000 -19.571 23.084) 30.263 20.216 ( 0.000 -24.911 1.083) 24.934 20.268 ( 0.000 -22.116 1.159) 22.147 20.364 ( 0.000 -21.884 -0.948) 21.905 20.412 ( 0.000 -20.319 -1.208) 20.355 20.963 ( 0.000 2.806 -5.887) 6.522 21.024 ( 0.000 0.564 -3.284) 3.332 22.325 ( 0.000 43.770 3.573) 43.916 22.656 ( 0.000 48.139 -0.098) 48.139 22.765 ( 0.000 43.320 -1.845) 43.359 22.834 ( 0.000 41.395 -1.360) 41.418 30.444 ( 0.000 -52.078 2.631) 52.144 30.518 ( 0.000 -51.539 2.151) 51.583 30.710 ( 0.000 -51.700 -2.458) 51.758 30.753 ( 0.000 -50.678 -2.298) 50.730 35.337 ( 0.000 27.363 3.142) 27.543 35.422 ( 0.000 30.458 6.648) 31.175 35.793 ( 0.000 43.903 -5.859) 44.292 36.209 ( 0.000 36.392 5.394) 36.789 36.290 ( 0.000 35.086 4.927) 35.430 36.749 ( 0.000 43.954 -4.780) 44.213 36.782 ( 0.000 44.109 -4.600) 44.348 37.602 ( 0.000 63.203 -64.042) 89.978 41.830 ( 0.000 2.825 0.942) 2.978 41.930 ( 0.000 4.412 -1.643) 4.708 42.521 ( 0.000 -3.673 20.861) 21.182 43.037 ( 0.000 -3.745 6.164) 7.212 43.209 ( 0.000 1.402 -2.107) 2.531 43.708 ( 0.000 -6.113 -9.386) 11.202 43.926 ( 0.000 -7.998 -6.268) 10.161 45.316 ( 0.000 -31.120 -36.009) 47.594 ======================= Grid point 141 (50/105) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 1.384 17.873 21.071) 27.665 2.404 ( -4.214 10.894 12.910) 17.410 2.514 ( 13.418 8.790 19.127) 24.963 2.954 ( 1.828 4.344 -2.190) 5.197 3.213 ( -5.852 4.161 -2.332) 7.550 3.358 ( 8.255 6.008 -2.928) 10.622 3.470 ( 0.558 5.355 3.976) 6.693 3.624 ( -6.685 -2.201 3.160) 7.715 3.755 ( 16.141 30.145 -0.855) 34.205 3.947 ( -8.582 -9.906 -6.928) 14.825 4.153 ( 4.554 33.528 7.190) 34.591 4.345 ( 5.400 14.515 -7.788) 17.335 4.760 ( -8.114 1.385 1.553) 8.376 4.803 ( -1.309 12.233 -9.050) 15.272 4.926 ( -0.748 -1.180 -4.042) 4.277 5.080 ( -1.257 3.312 -0.998) 3.680 5.112 ( -1.683 15.230 -1.432) 15.389 5.197 ( -5.182 13.775 -1.733) 14.819 5.334 ( -8.957 11.931 -0.959) 14.949 5.486 ( -15.180 13.320 2.028) 20.297 5.625 ( 5.408 26.501 8.376) 28.314 5.803 ( 13.329 0.375 1.076) 13.377 6.066 ( -9.289 18.628 3.319) 21.079 6.315 ( 1.649 4.607 6.371) 8.033 6.694 ( 12.496 -2.174 -1.251) 12.745 6.969 ( 1.594 0.804 3.556) 3.979 7.073 ( 8.109 -4.419 0.691) 9.261 7.376 ( -6.720 -2.514 -7.473) 10.360 7.623 ( 3.170 4.844 -17.396) 18.334 7.889 ( -5.220 1.659 -12.633) 13.769 8.119 ( -1.055 7.778 -11.326) 13.780 8.297 ( 1.588 -5.656 -11.346) 12.777 9.137 ( -2.405 4.070 13.516) 14.319 9.189 ( -1.060 7.879 11.057) 13.619 9.449 ( 4.532 15.503 1.519) 16.223 9.708 ( -7.511 6.946 1.631) 10.360 9.862 ( 7.094 14.969 2.818) 16.803 10.037 ( 5.925 7.133 3.284) 9.837 10.326 ( -8.064 0.892 6.500) 10.395 10.479 ( -11.721 -3.476 6.763) 13.971 11.295 ( 4.611 19.679 1.657) 20.280 11.380 ( 3.383 24.236 2.287) 24.578 11.583 ( 7.431 15.298 -2.432) 17.180 11.785 ( -1.788 30.503 -3.618) 30.768 17.279 ( 0.928 -43.920 0.519) 43.933 17.317 ( -0.353 -44.612 0.990) 44.624 17.434 ( 1.022 -41.900 -2.581) 41.992 17.509 ( -1.541 -38.834 -3.984) 39.068 18.800 ( 1.035 -4.985 2.790) 5.806 18.849 ( -0.725 -5.655 2.549) 6.245 19.036 ( 1.161 -4.767 -1.956) 5.282 19.092 ( -0.850 -4.145 -2.058) 4.705 19.809 ( 2.686 -2.361 18.920) 19.255 20.070 ( -7.487 -14.741 20.952) 26.690 20.234 ( 0.959 -24.270 2.318) 24.399 20.266 ( -0.296 -22.536 1.402) 22.581 20.372 ( 0.679 -21.744 -0.752) 21.767 20.408 ( -0.460 -20.747 -0.798) 20.767 20.967 ( 0.428 2.857 -5.579) 6.282 21.010 ( -1.169 1.375 -3.685) 4.103 22.341 ( 1.769 44.844 3.795) 45.039 22.573 ( -7.514 49.895 2.607) 50.525 22.747 ( -0.129 42.162 -2.962) 42.266 22.805 ( -1.854 42.365 -1.450) 42.430 30.457 ( 1.068 -52.058 2.574) 52.133 30.509 ( -0.828 -51.656 2.244) 51.712 30.717 ( 0.549 -51.584 -2.445) 51.645 30.746 ( -0.542 -50.852 -2.321) 50.908 35.347 ( 0.932 27.731 3.542) 27.972 35.407 ( -1.261 29.897 6.024) 30.524 35.892 ( 9.445 46.810 -7.469) 48.335 36.220 ( 0.892 36.704 5.198) 37.080 36.283 ( -0.572 35.155 4.811) 35.488 36.752 ( 0.204 44.154 -4.955) 44.432 36.777 ( -0.436 44.097 -4.631) 44.341 36.991 ( -39.790 62.686 -35.820) 82.436 41.955 ( 8.557 2.474 2.887) 9.364 42.395 ( -4.724 -3.308 15.193) 16.251 42.676 ( 38.528 -8.615 -12.011) 41.266 43.060 ( 1.384 -4.374 6.334) 7.821 43.268 ( 8.595 1.013 -8.201) 11.923 43.682 ( -2.540 -6.044 -10.466) 12.350 44.036 ( 12.827 -11.415 -10.547) 20.152 45.136 ( -16.962 -30.555 -36.460) 50.504 ======================= Grid point 142 (51/105) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -13.094 10.435 16.560) 23.549 2.127 ( 13.094 10.435 16.560) 23.549 2.954 ( -13.094 1.646 3.958) 13.778 2.954 ( 13.094 1.646 3.958) 13.778 3.129 ( -7.959 9.092 3.277) 12.520 3.129 ( 7.959 9.092 3.277) 12.520 3.638 ( -14.413 -3.997 -3.930) 15.465 3.638 ( 14.413 -3.997 -3.930) 15.465 3.832 ( -11.707 7.728 -0.125) 14.029 3.832 ( 11.707 7.728 -0.125) 14.029 4.429 ( -19.813 22.217 3.344) 29.956 4.429 ( 19.813 22.217 3.344) 29.956 4.654 ( -15.770 30.032 -7.577) 34.757 4.654 ( 15.770 30.032 -7.577) 34.757 4.930 ( -7.068 7.857 3.132) 11.023 4.930 ( 7.068 7.857 3.132) 11.023 5.117 ( -2.817 -3.270 -5.291) 6.828 5.117 ( 2.817 -3.270 -5.291) 6.828 5.286 ( -5.698 9.906 -0.230) 11.430 5.286 ( 5.698 9.906 -0.230) 11.430 5.791 ( -9.044 20.484 6.600) 23.344 5.791 ( 9.044 20.484 6.600) 23.344 6.181 ( -12.882 6.946 6.626) 16.066 6.181 ( 12.882 6.946 6.626) 16.066 6.949 ( -5.242 1.986 -0.247) 5.611 6.949 ( 5.242 1.986 -0.247) 5.611 7.201 ( -6.090 -3.880 -3.824) 8.171 7.201 ( 6.090 -3.880 -3.824) 8.171 7.738 ( -9.034 3.507 -16.069) 18.765 7.738 ( 9.034 3.507 -16.069) 18.765 8.230 ( -7.547 -3.382 -11.721) 14.345 8.230 ( 7.547 -3.382 -11.721) 14.345 9.138 ( -2.479 5.223 13.819) 14.980 9.138 ( 2.479 5.223 13.819) 14.980 9.539 ( -5.680 16.381 0.015) 17.338 9.539 ( 5.680 16.381 0.015) 17.338 10.094 ( -11.790 5.778 4.397) 13.846 10.094 ( 11.790 5.778 4.397) 13.846 10.236 ( -10.366 -0.122 6.233) 12.097 10.236 ( 10.366 -0.122 6.233) 12.097 11.384 ( -2.746 20.337 2.400) 20.661 11.384 ( 2.746 20.337 2.400) 20.661 11.722 ( -4.498 24.568 -4.675) 25.410 11.722 ( 4.498 24.568 -4.675) 25.410 17.302 ( -1.018 -44.294 1.082) 44.319 17.302 ( 1.018 -44.294 1.082) 44.319 17.468 ( -2.000 -40.332 -3.518) 40.534 17.468 ( 2.000 -40.332 -3.518) 40.534 18.827 ( -1.248 -5.330 2.672) 6.092 18.827 ( 1.248 -5.330 2.672) 6.092 19.066 ( -1.427 -4.475 -2.038) 5.121 19.066 ( 1.427 -4.475 -2.038) 5.121 19.907 ( -6.477 -6.583 20.160) 22.175 19.907 ( 6.477 -6.583 20.160) 22.175 20.254 ( -0.802 -23.499 1.714) 23.575 20.254 ( 0.802 -23.499 1.714) 23.575 20.391 ( -0.984 -21.207 -0.702) 21.242 20.391 ( 0.984 -21.207 -0.702) 21.242 20.983 ( -1.097 2.480 -4.669) 5.400 20.983 ( 1.097 2.480 -4.669) 5.400 22.417 ( -5.536 47.828 4.009) 48.314 22.417 ( 5.536 47.828 4.009) 48.314 22.766 ( -1.563 42.498 -2.416) 42.595 22.766 ( 1.563 42.498 -2.416) 42.595 30.485 ( -1.340 -51.899 2.428) 51.973 30.485 ( 1.340 -51.899 2.428) 51.973 30.732 ( -0.758 -51.242 -2.386) 51.303 30.732 ( 0.758 -51.242 -2.386) 51.303 35.375 ( -1.547 28.723 4.662) 29.140 35.375 ( 1.547 28.723 4.662) 29.140 36.187 ( -10.881 46.339 -4.395) 47.802 36.187 ( 10.881 46.339 -4.395) 47.802 36.326 ( -13.050 44.324 -5.296) 46.507 36.326 ( 13.050 44.324 -5.296) 46.507 36.765 ( -0.577 44.050 -4.711) 44.305 36.765 ( 0.577 44.050 -4.711) 44.305 42.183 ( -11.462 -0.045 10.046) 15.242 42.183 ( 11.462 -0.045 10.046) 15.242 43.049 ( -3.529 -5.127 3.955) 7.375 43.049 ( 3.529 -5.127 3.955) 7.375 43.568 ( -9.752 -5.747 -15.493) 19.188 43.568 ( 9.752 -5.747 -15.493) 19.188 44.585 ( -32.099 -25.294 -31.680) 51.709 44.585 ( 32.099 -25.294 -31.680) 51.709 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 11.806 25.408) 28.017 2.578 ( 0.000 4.696 11.533) 12.452 2.691 ( 0.000 23.756 9.336) 25.524 3.010 ( 0.000 3.066 -0.577) 3.120 3.315 ( 0.000 1.158 -1.689) 2.048 3.376 ( 0.000 0.848 1.057) 1.355 3.380 ( 0.000 -19.271 2.738) 19.465 3.565 ( 0.000 11.758 -6.136) 13.263 3.867 ( 0.000 -8.150 -11.129) 13.794 4.178 ( 0.000 23.423 -7.603) 24.626 4.352 ( 0.000 -0.194 6.289) 6.291 4.560 ( 0.000 -12.841 -2.319) 13.049 4.672 ( 0.000 -13.384 -10.699) 17.135 4.753 ( 0.000 22.152 -7.406) 23.357 5.029 ( 0.000 -0.704 -5.771) 5.814 5.234 ( 0.000 9.513 3.269) 10.059 5.344 ( 0.000 -3.968 4.280) 5.836 5.386 ( 0.000 3.212 -3.659) 4.869 5.487 ( 0.000 8.619 6.178) 10.604 5.869 ( 0.000 15.534 -1.596) 15.616 5.908 ( 0.000 -3.776 8.882) 9.651 6.283 ( 0.000 23.604 -3.165) 23.815 6.412 ( 0.000 11.376 8.173) 14.008 6.496 ( 0.000 2.654 -4.956) 5.622 6.563 ( 0.000 18.562 -13.504) 22.954 6.598 ( 0.000 -5.072 5.905) 7.784 7.099 ( 0.000 0.145 10.749) 10.750 7.368 ( 0.000 -1.130 -8.377) 8.452 7.960 ( 0.000 19.017 -4.480) 19.537 7.969 ( 0.000 -0.757 -17.676) 17.692 8.232 ( 0.000 0.001 -10.502) 10.502 8.327 ( 0.000 10.803 -4.582) 11.735 9.170 ( 0.000 -1.856 13.330) 13.458 9.301 ( 0.000 -1.472 20.706) 20.758 9.725 ( 0.000 -3.282 4.886) 5.886 9.791 ( 0.000 14.793 3.417) 15.183 10.408 ( 0.000 45.459 1.950) 45.501 10.489 ( 0.000 41.537 1.002) 41.549 10.747 ( 0.000 33.096 -0.446) 33.099 10.804 ( 0.000 32.752 -0.489) 32.755 11.659 ( 0.000 24.508 -0.184) 24.509 11.698 ( 0.000 19.359 -0.136) 19.360 11.949 ( 0.000 28.792 5.733) 29.357 12.451 ( 0.000 33.356 -4.733) 33.690 16.397 ( 0.000 -44.538 0.567) 44.542 16.483 ( 0.000 -40.929 0.768) 40.936 16.595 ( 0.000 -41.697 -1.336) 41.719 16.775 ( 0.000 -38.476 -4.157) 38.700 18.568 ( 0.000 -22.301 1.855) 22.378 18.614 ( 0.000 -22.142 2.900) 22.331 18.715 ( 0.000 -28.618 -1.025) 28.636 18.824 ( 0.000 -27.353 -1.319) 27.385 19.730 ( 0.000 -21.099 2.962) 21.305 19.730 ( 0.000 -3.485 16.655) 17.016 19.784 ( 0.000 -23.826 3.265) 24.049 19.869 ( 0.000 -11.772 20.192) 23.373 20.069 ( 0.000 -6.034 -3.398) 6.925 20.124 ( 0.000 -6.676 -3.146) 7.381 20.930 ( 0.000 -5.004 -7.251) 8.810 20.960 ( 0.000 -5.978 -5.918) 8.412 23.273 ( 0.000 52.297 3.469) 52.412 23.623 ( 0.000 49.950 -2.991) 50.040 23.681 ( 0.000 50.110 0.503) 50.113 23.731 ( 0.000 49.110 -0.097) 49.110 29.419 ( 0.000 -52.811 2.521) 52.872 29.495 ( 0.000 -52.926 2.078) 52.967 29.665 ( 0.000 -54.849 -2.120) 54.890 29.726 ( 0.000 -53.944 -2.383) 53.996 35.923 ( 0.000 31.824 5.600) 32.313 36.056 ( 0.000 33.471 10.805) 35.171 36.653 ( 0.000 42.698 -8.676) 43.571 36.860 ( 0.000 29.065 6.605) 29.806 36.927 ( 0.000 29.008 6.199) 29.663 37.530 ( 0.000 35.036 -6.089) 35.561 37.595 ( 0.000 38.438 -6.790) 39.033 38.468 ( 0.000 29.172 -49.221) 57.216 41.920 ( 0.000 6.738 2.691) 7.256 42.040 ( 0.000 7.022 -1.261) 7.134 42.464 ( 0.000 -1.576 16.133) 16.210 42.944 ( 0.000 -5.499 5.520) 7.792 43.223 ( 0.000 -0.357 -5.123) 5.135 43.553 ( 0.000 -9.810 -6.270) 11.643 43.755 ( 0.000 -9.313 -4.847) 10.499 44.690 ( 0.000 -31.719 -27.417) 41.926 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -0.306 15.403 19.346) 24.731 2.527 ( -6.126 5.849 12.886) 15.420 2.779 ( 7.273 13.460 9.182) 17.843 3.018 ( 0.009 2.610 -1.149) 2.852 3.245 ( -3.827 -8.044 0.368) 8.916 3.298 ( -3.479 0.503 1.026) 3.662 3.437 ( 1.560 0.168 0.031) 1.570 3.648 ( 8.220 3.020 -2.897) 9.224 3.774 ( -6.823 -4.868 -8.957) 12.268 4.165 ( -8.729 4.352 -2.073) 9.971 4.445 ( 13.474 13.624 -2.269) 19.295 4.598 ( 3.896 -4.025 -4.173) 6.985 4.731 ( 4.479 -11.235 -8.434) 14.745 4.890 ( 8.533 12.972 -2.021) 15.657 5.020 ( -8.638 3.375 2.159) 9.522 5.047 ( 1.078 1.475 -9.605) 9.777 5.293 ( -0.445 1.373 0.265) 1.468 5.422 ( -3.230 11.508 1.228) 12.016 5.542 ( -8.459 9.129 8.722) 15.198 5.722 ( -7.551 1.400 0.880) 7.730 5.963 ( 8.443 13.439 -2.510) 16.069 6.193 ( -4.502 22.178 8.687) 24.240 6.303 ( -3.531 9.569 2.881) 10.598 6.556 ( 0.305 6.093 -1.177) 6.213 6.710 ( 9.906 10.585 -7.006) 16.102 6.783 ( 11.908 -12.285 0.532) 17.118 7.070 ( -1.818 3.467 5.662) 6.884 7.333 ( -4.017 -3.215 -6.760) 8.495 7.897 ( -2.974 13.657 -7.205) 15.725 7.944 ( -2.530 7.580 -13.787) 15.936 8.236 ( 0.580 1.329 -9.880) 9.986 8.324 ( -1.267 8.945 -6.816) 11.317 9.167 ( 0.243 -0.336 14.676) 14.682 9.273 ( -2.751 -1.364 19.174) 19.419 9.743 ( 1.676 -1.595 4.498) 5.058 9.802 ( 0.422 8.658 3.342) 9.290 10.438 ( 3.299 44.512 1.918) 44.675 10.478 ( -0.384 42.895 1.342) 42.917 10.629 ( -7.561 34.759 2.181) 35.638 10.725 ( -6.404 36.480 -0.271) 37.039 11.723 ( 4.716 24.249 0.571) 24.710 11.892 ( 10.741 24.820 -0.689) 27.053 11.931 ( 1.673 23.380 2.998) 23.631 12.393 ( -5.471 30.988 -4.891) 31.845 16.415 ( 1.528 -43.692 0.922) 43.728 16.482 ( -0.477 -40.711 1.624) 40.746 16.611 ( 1.794 -41.828 -2.557) 41.944 16.745 ( -2.609 -39.094 -4.002) 39.385 18.577 ( 0.745 -22.297 1.973) 22.396 18.609 ( -0.418 -22.207 2.712) 22.376 18.733 ( 1.539 -28.389 -1.105) 28.452 18.810 ( -1.271 -27.518 -1.302) 27.578 19.726 ( 0.330 -13.418 8.833) 16.068 19.747 ( 0.675 -13.251 9.760) 16.472 19.781 ( -0.109 -21.476 5.343) 22.131 19.844 ( -2.001 -10.991 18.860) 21.920 20.078 ( 0.778 -6.163 -3.268) 7.019 20.117 ( -0.621 -6.659 -3.082) 7.364 20.932 ( 0.275 -5.068 -7.106) 8.732 20.954 ( -0.499 -5.755 -6.161) 8.446 23.306 ( 3.194 52.820 3.458) 53.030 23.585 ( -7.189 52.839 1.551) 53.348 23.639 ( 0.869 48.622 -2.680) 48.704 23.712 ( -1.568 49.281 -0.636) 49.310 29.431 ( 1.055 -52.862 2.464) 52.930 29.485 ( -0.913 -52.945 2.161) 52.997 29.674 ( 0.754 -54.741 -2.176) 54.789 29.717 ( -0.821 -54.092 -2.351) 54.149 35.939 ( 1.458 32.029 6.211) 32.658 36.033 ( -1.977 33.181 9.871) 34.675 36.782 ( 11.267 42.118 -9.281) 44.576 36.881 ( 2.745 30.503 5.256) 31.074 36.918 ( -0.778 28.905 6.190) 29.571 37.539 ( 0.807 35.552 -6.259) 36.108 37.586 ( -0.826 37.960 -6.712) 38.558 37.963 ( -36.153 37.966 -33.396) 62.159 42.028 ( 6.704 5.292 3.797) 9.347 42.353 ( -0.831 -0.369 11.212) 11.248 42.543 ( 26.548 -4.856 -5.079) 27.462 42.964 ( 1.156 -5.313 4.702) 7.188 43.261 ( 4.472 -1.773 -7.043) 8.529 43.530 ( -2.305 -9.584 -7.275) 12.251 43.811 ( 6.463 -11.440 -6.987) 14.882 44.534 ( -14.272 -29.845 -26.455) 42.359 ======================= Grid point 147 (54/105) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -7.378 12.453 13.831) 20.020 2.355 ( 7.378 12.453 13.831) 20.020 2.951 ( -6.920 -0.894 4.976) 8.571 2.951 ( 6.920 -0.894 4.976) 8.571 3.219 ( -2.184 2.762 0.459) 3.551 3.219 ( 2.184 2.762 0.459) 3.551 3.560 ( -8.920 -2.675 -3.827) 10.068 3.560 ( 8.920 -2.675 -3.827) 10.068 3.918 ( -12.590 2.380 -1.596) 12.912 3.918 ( 12.590 2.380 -1.596) 12.912 4.639 ( -4.516 1.549 -5.957) 7.634 4.639 ( 4.516 1.549 -5.957) 7.634 4.875 ( -5.606 -0.179 -2.006) 5.957 4.875 ( 5.606 -0.179 -2.006) 5.957 5.073 ( -7.123 1.213 -4.833) 8.693 5.073 ( 7.123 1.213 -4.833) 8.693 5.249 ( -10.969 11.592 0.924) 15.986 5.249 ( 10.969 11.592 0.924) 15.986 5.526 ( -9.298 13.054 2.717) 16.255 5.526 ( 9.298 13.054 2.717) 16.255 6.102 ( -4.805 12.775 6.065) 14.936 6.102 ( 4.805 12.775 6.065) 14.936 6.431 ( -11.050 11.367 1.417) 15.916 6.431 ( 11.050 11.367 1.417) 15.916 6.878 ( -4.752 -6.363 -0.499) 7.957 6.878 ( 4.752 -6.363 -0.499) 7.957 7.168 ( -10.239 -0.447 -4.544) 11.211 7.168 ( 10.239 -0.447 -4.544) 11.211 7.889 ( -2.024 10.448 -9.880) 14.522 7.889 ( 2.024 10.448 -9.880) 14.522 8.270 ( -2.731 5.895 -9.133) 11.208 8.270 ( 2.731 5.895 -9.133) 11.208 9.201 ( -2.986 0.299 16.952) 17.215 9.201 ( 2.986 0.299 16.952) 17.215 9.786 ( -1.832 1.871 3.650) 4.492 9.786 ( 1.832 1.871 3.650) 4.492 10.506 ( -3.453 40.813 2.671) 41.046 10.506 ( 3.453 40.813 2.671) 41.046 10.562 ( -7.623 40.316 0.982) 41.042 10.562 ( 7.623 40.316 0.982) 41.042 11.836 ( -5.035 25.744 2.811) 26.382 11.836 ( 5.035 25.744 2.811) 26.382 12.207 ( -11.770 25.048 -4.686) 28.070 12.207 ( 11.770 25.048 -4.686) 28.070 16.454 ( -1.840 -41.883 1.670) 41.957 16.454 ( 1.840 -41.883 1.670) 41.957 16.674 ( -3.559 -40.621 -3.605) 40.936 16.674 ( 3.559 -40.621 -3.605) 40.936 18.596 ( -0.822 -22.276 2.306) 22.410 18.596 ( 0.822 -22.276 2.306) 22.410 18.773 ( -1.979 -27.928 -1.235) 28.025 18.773 ( 1.979 -27.928 -1.235) 28.025 19.742 ( -0.884 -16.527 7.054) 17.991 19.742 ( 0.884 -16.527 7.054) 17.991 19.799 ( -1.768 -12.529 14.228) 19.040 19.799 ( 1.768 -12.529 14.228) 19.040 20.098 ( -1.003 -6.450 -3.103) 7.228 20.098 ( 1.003 -6.450 -3.103) 7.228 20.942 ( -0.550 -5.333 -6.681) 8.567 20.942 ( 0.550 -5.333 -6.681) 8.567 23.417 ( -7.008 53.496 3.022) 54.037 23.417 ( 7.008 53.496 3.022) 54.037 23.672 ( -1.896 49.241 -1.799) 49.311 23.672 ( 1.896 49.241 -1.799) 49.311 29.459 ( -1.400 -52.938 2.323) 53.008 29.459 ( 1.400 -52.938 2.323) 53.008 29.695 ( -1.115 -54.434 -2.272) 54.493 29.695 ( 1.115 -54.434 -2.272) 54.493 35.982 ( -2.402 32.567 7.879) 33.592 35.982 ( 2.402 32.567 7.879) 33.592 36.892 ( -1.590 29.383 5.898) 30.011 36.892 ( 1.590 29.383 5.898) 30.011 37.238 ( -27.455 43.342 -17.161) 54.100 37.238 ( 27.455 43.342 -17.161) 54.100 37.563 ( -1.149 36.813 -6.489) 37.398 37.563 ( 1.149 36.813 -6.489) 37.398 42.202 ( -8.658 2.360 9.118) 12.793 42.202 ( 8.658 2.360 9.118) 12.793 42.937 ( -6.022 -6.170 0.514) 8.637 42.937 ( 6.022 -6.170 0.514) 8.637 43.430 ( -7.761 -8.273 -10.613) 15.534 43.430 ( 7.761 -8.273 -10.613) 15.534 44.118 ( -21.076 -21.697 -19.313) 35.888 44.118 ( 21.076 -21.697 -19.313) 35.888 ======================= Grid point 150 (55/105) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.000 12.499 19.655) 23.292 2.691 ( 0.000 7.677 10.860) 13.299 3.007 ( 0.000 5.800 4.078) 7.091 3.070 ( 0.000 2.642 -3.006) 4.002 3.133 ( 0.000 -3.115 3.790) 4.905 3.342 ( 0.000 2.019 -3.350) 3.911 3.383 ( 0.000 0.253 2.107) 2.122 3.783 ( 0.000 -0.022 -9.083) 9.083 3.823 ( 0.000 11.321 -9.536) 14.802 4.289 ( 0.000 -5.237 5.153) 7.347 4.330 ( 0.000 -8.852 -0.584) 8.871 4.450 ( 0.000 4.909 -4.532) 6.681 4.455 ( 0.000 -7.183 -11.494) 13.554 4.974 ( 0.000 2.591 -13.093) 13.347 5.018 ( 0.000 -1.597 -4.852) 5.108 5.248 ( 0.000 -1.124 2.551) 2.788 5.372 ( 0.000 0.558 0.533) 0.771 5.401 ( 0.000 4.010 2.688) 4.828 5.716 ( 0.000 10.211 0.165) 10.212 5.838 ( 0.000 -2.197 9.468) 9.719 5.883 ( 0.000 -8.021 -9.808) 12.670 6.342 ( 0.000 -6.238 -4.227) 7.535 6.444 ( 0.000 -5.756 7.694) 9.609 6.724 ( 0.000 -0.983 -7.106) 7.174 6.768 ( 0.000 18.931 0.154) 18.931 6.770 ( 0.000 14.510 6.396) 15.857 7.106 ( 0.000 0.541 11.625) 11.638 7.454 ( 0.000 6.753 -3.339) 7.534 7.979 ( 0.000 1.867 -15.841) 15.951 8.204 ( 0.000 5.804 -3.566) 6.812 8.237 ( 0.000 0.672 -9.690) 9.713 8.484 ( 0.000 4.309 -3.215) 5.376 9.138 ( 0.000 -1.433 13.720) 13.794 9.204 ( 0.000 -5.821 17.663) 18.597 9.651 ( 0.000 -4.126 5.555) 6.920 9.767 ( 0.000 -9.262 2.733) 9.657 11.558 ( 0.000 68.406 2.008) 68.435 11.624 ( 0.000 67.038 -0.047) 67.038 11.746 ( 0.000 62.946 -0.508) 62.948 11.758 ( 0.000 60.500 -0.635) 60.503 12.102 ( 0.000 22.527 0.604) 22.535 12.167 ( 0.000 27.423 -1.859) 27.486 12.533 ( 0.000 30.430 6.298) 31.074 13.062 ( 0.000 28.945 -5.048) 29.382 15.597 ( 0.000 -36.055 0.817) 36.064 15.739 ( 0.000 -34.649 -1.285) 34.673 15.857 ( 0.000 -33.041 1.108) 33.059 16.073 ( 0.000 -32.400 -3.081) 32.547 17.853 ( 0.000 -48.625 1.018) 48.635 17.878 ( 0.000 -50.716 1.163) 50.729 17.975 ( 0.000 -48.149 -0.525) 48.152 18.032 ( 0.000 -52.031 -0.955) 52.040 19.486 ( 0.000 -6.326 6.896) 9.358 19.492 ( 0.000 -5.227 6.226) 8.130 19.657 ( 0.000 -3.854 14.448) 14.953 19.692 ( 0.000 -7.031 16.338) 17.787 20.089 ( 0.000 6.006 -5.521) 8.158 20.134 ( 0.000 5.697 -5.358) 7.821 20.798 ( 0.000 -8.049 -7.844) 11.239 20.820 ( 0.000 -8.103 -7.539) 11.068 24.315 ( 0.000 54.378 2.927) 54.457 24.588 ( 0.000 49.638 -1.962) 49.677 24.670 ( 0.000 50.846 0.226) 50.846 24.699 ( 0.000 50.197 0.053) 50.197 28.406 ( 0.000 -51.437 2.150) 51.481 28.480 ( 0.000 -51.471 1.905) 51.506 28.604 ( 0.000 -54.086 -1.648) 54.111 28.681 ( 0.000 -53.426 -2.043) 53.465 36.529 ( 0.000 29.629 7.438) 30.548 36.677 ( 0.000 29.574 12.487) 32.102 37.300 ( 0.000 15.826 7.662) 17.583 37.379 ( 0.000 16.936 7.390) 18.478 37.401 ( 0.000 33.628 -9.468) 34.936 38.073 ( 0.000 20.327 -7.111) 21.535 38.243 ( 0.000 27.896 -9.383) 29.432 38.842 ( 0.000 11.340 -34.400) 36.221 42.099 ( 0.000 11.629 4.000) 12.297 42.199 ( 0.000 9.088 -0.346) 9.095 42.480 ( 0.000 3.606 10.630) 11.225 42.829 ( 0.000 -6.407 4.314) 7.724 43.179 ( 0.000 -4.926 -5.623) 7.475 43.332 ( 0.000 -12.585 -2.653) 12.862 43.583 ( 0.000 -7.671 -4.417) 8.852 44.134 ( 0.000 -24.748 -19.916) 31.766 ======================= Grid point 151 (56/105) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 0.590 12.302 15.918) 20.126 2.666 ( -3.217 8.171 11.230) 14.256 2.950 ( -1.565 3.546 5.321) 6.583 3.005 ( -4.505 -1.083 0.576) 4.669 3.184 ( 4.040 3.209 -0.034) 5.159 3.357 ( -1.030 2.904 0.682) 3.156 3.457 ( 4.501 0.686 -4.199) 6.194 3.689 ( -7.676 2.384 -4.689) 9.305 3.807 ( 3.344 6.495 -8.283) 11.044 4.145 ( -7.932 -2.273 2.584) 8.647 4.458 ( 6.672 -7.325 -0.269) 9.912 4.516 ( 5.749 -7.887 -13.656) 16.785 4.673 ( 14.064 5.064 -4.542) 15.622 4.956 ( -5.294 -4.965 1.514) 7.414 5.000 ( -3.012 0.737 -4.984) 5.870 5.138 ( 2.129 2.931 -10.085) 10.716 5.277 ( -2.507 -0.351 1.741) 3.073 5.590 ( -7.233 2.062 2.328) 7.873 5.714 ( 4.962 6.161 0.563) 7.931 5.741 ( -3.450 4.876 3.171) 6.762 5.999 ( 12.275 -6.118 -6.475) 15.167 6.333 ( -0.132 -3.911 -0.488) 3.944 6.444 ( -2.748 1.307 8.257) 8.799 6.609 ( -5.989 0.563 8.396) 10.329 6.759 ( -0.972 13.222 -0.878) 13.287 6.870 ( 9.436 0.744 -7.634) 12.160 7.139 ( -1.998 3.681 8.384) 9.372 7.326 ( -9.512 2.459 -3.334) 10.375 7.982 ( 1.102 2.797 -11.317) 11.710 8.138 ( -5.157 3.317 -7.892) 9.994 8.297 ( 5.218 4.930 -6.458) 9.656 8.479 ( -1.488 6.424 -5.332) 8.480 9.144 ( 0.667 -1.705 14.348) 14.464 9.195 ( -0.866 -4.660 16.850) 17.504 9.662 ( 1.073 -5.373 5.274) 7.605 9.742 ( -2.013 -8.952 3.525) 9.830 11.556 ( 0.433 66.293 2.024) 66.325 11.620 ( 0.112 67.778 0.054) 67.778 11.697 ( -4.466 59.001 -0.151) 59.170 11.702 ( -2.853 66.112 0.076) 66.173 12.225 ( 6.892 27.135 -0.098) 27.996 12.326 ( 14.457 24.211 -1.161) 28.222 12.494 ( -3.266 30.575 4.933) 31.143 12.962 ( -9.086 27.175 -4.720) 29.040 15.635 ( 3.199 -34.976 1.055) 35.137 15.757 ( 0.342 -33.101 0.703) 33.110 15.856 ( 1.070 -34.453 -1.177) 34.490 16.032 ( -3.610 -32.915 -3.084) 33.256 17.862 ( 0.708 -48.873 1.113) 48.890 17.881 ( 0.109 -50.465 1.287) 50.481 17.980 ( 0.563 -48.712 -0.783) 48.721 18.022 ( -0.849 -51.555 -1.008) 51.572 19.487 ( 0.083 -6.153 6.812) 9.180 19.491 ( -0.059 -5.388 6.340) 8.320 19.660 ( 0.279 -4.187 14.671) 15.259 19.684 ( -0.603 -6.428 16.008) 17.261 20.096 ( 0.616 5.940 -5.477) 8.103 20.128 ( -0.551 5.723 -5.365) 7.864 20.801 ( 0.240 -8.022 -7.825) 11.209 20.816 ( -0.319 -8.061 -7.609) 11.090 24.352 ( 3.406 54.267 2.796) 54.445 24.580 ( -2.877 49.894 0.334) 49.978 24.626 ( -1.503 52.016 -1.248) 52.053 24.681 ( -1.474 50.068 -0.317) 50.091 28.417 ( 0.960 -51.487 2.109) 51.539 28.470 ( -0.945 -51.518 1.939) 51.563 28.615 ( 0.946 -53.985 -1.705) 54.020 28.669 ( -1.026 -53.525 -1.981) 53.572 36.547 ( 1.617 29.617 8.045) 30.732 36.651 ( -2.195 29.565 11.591) 31.832 37.310 ( 0.969 16.158 7.265) 17.742 37.362 ( -0.913 16.686 6.748) 18.022 37.546 ( 12.593 32.590 -10.146) 36.382 38.097 ( 2.146 21.419 -7.472) 22.786 38.219 ( -2.149 26.777 -9.072) 28.354 38.511 ( -25.525 19.662 -26.580) 41.769 42.169 ( 4.503 9.368 4.751) 11.428 42.398 ( -0.342 5.193 7.749) 9.334 42.493 ( 16.253 -0.214 -1.549) 16.328 42.858 ( 1.622 -5.567 2.821) 6.448 43.193 ( 1.495 -5.697 -5.368) 7.969 43.315 ( -1.690 -12.283 -3.407) 12.858 43.607 ( 2.990 -8.960 -5.924) 11.150 44.021 ( -9.928 -22.274 -18.525) 30.624 ======================= Grid point 152 (57/105) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -3.160 10.546 12.068) 16.335 2.585 ( 3.160 10.546 12.068) 16.335 2.943 ( -0.965 0.772 3.874) 4.066 2.943 ( 0.965 0.772 3.874) 4.066 3.289 ( -4.909 4.368 -0.626) 6.601 3.289 ( 4.909 4.368 -0.626) 6.601 3.546 ( -5.347 0.793 -5.103) 7.433 3.546 ( 5.347 0.793 -5.103) 7.433 3.960 ( -8.969 2.933 -1.306) 9.526 3.960 ( 8.969 2.933 -1.306) 9.526 4.581 ( -2.775 -5.171 -7.145) 9.246 4.581 ( 2.775 -5.171 -7.145) 9.246 4.836 ( -1.404 -2.938 -1.316) 3.512 4.836 ( 1.404 -2.938 -1.316) 3.512 5.093 ( -11.283 -0.357 -4.710) 12.232 5.093 ( 11.283 -0.357 -4.710) 12.232 5.345 ( -12.090 0.480 -1.826) 12.237 5.345 ( 12.090 0.480 -1.826) 12.237 5.738 ( -2.314 8.622 1.778) 9.102 5.738 ( 2.314 8.622 1.778) 9.102 6.277 ( -9.103 3.281 1.696) 9.823 6.277 ( 9.103 3.281 1.696) 9.823 6.453 ( -9.639 -4.652 3.854) 11.375 6.453 ( 9.639 -4.652 3.854) 11.375 6.878 ( -11.126 4.981 -1.092) 12.239 6.878 ( 11.126 4.981 -1.092) 12.239 7.140 ( -8.510 -1.818 -0.607) 8.723 7.140 ( 8.510 -1.818 -0.607) 8.723 8.039 ( -3.826 4.023 -7.188) 9.082 8.039 ( 3.826 4.023 -7.188) 9.082 8.410 ( -4.587 7.520 -7.490) 11.562 8.410 ( 4.587 7.520 -7.490) 11.562 9.168 ( -1.444 -2.761 15.507) 15.817 9.168 ( 1.444 -2.761 15.507) 15.817 9.696 ( -1.974 -7.634 4.586) 9.122 9.696 ( 1.974 -7.634 4.586) 9.122 11.598 ( -3.306 63.817 1.335) 63.916 11.598 ( 3.306 63.817 1.335) 63.916 11.648 ( -1.717 66.351 0.182) 66.374 11.648 ( 1.717 66.351 0.182) 66.374 12.373 ( -6.318 29.699 2.648) 30.479 12.373 ( 6.318 29.699 2.648) 30.479 12.687 ( -15.594 24.263 -3.556) 29.060 12.687 ( 15.594 24.263 -3.556) 29.060 15.714 ( -3.546 -33.129 1.759) 33.364 15.714 ( 3.546 -33.129 1.759) 33.364 15.933 ( -5.007 -34.253 -3.041) 34.751 15.933 ( 5.007 -34.253 -3.041) 34.751 17.877 ( -0.542 -49.614 1.305) 49.634 17.877 ( 0.542 -49.614 1.305) 49.634 18.000 ( -1.120 -50.231 -1.047) 50.254 18.000 ( 1.120 -50.231 -1.047) 50.254 19.489 ( -0.104 -5.765 6.590) 8.756 19.489 ( 0.104 -5.765 6.590) 8.756 19.670 ( -0.619 -5.172 15.286) 16.150 19.670 ( 0.619 -5.172 15.286) 16.150 20.113 ( -0.822 5.812 -5.404) 7.978 20.113 ( 0.822 5.812 -5.404) 7.978 20.808 ( -0.397 -8.008 -7.742) 11.145 20.808 ( 0.397 -8.008 -7.742) 11.145 24.458 ( -6.132 53.306 2.240) 53.704 24.458 ( 6.132 53.306 2.240) 53.704 24.644 ( -1.723 50.400 -1.301) 50.447 24.644 ( 1.723 50.400 -1.301) 50.447 28.443 ( -1.348 -51.549 2.019) 51.606 28.443 ( 1.348 -51.549 2.019) 51.606 28.641 ( -1.397 -53.756 -1.840) 53.805 28.641 ( 1.397 -53.756 -1.840) 53.805 36.595 ( -2.655 29.583 9.675) 31.238 36.595 ( 2.655 29.583 9.675) 31.238 37.337 ( -1.355 16.134 7.207) 17.723 37.337 ( 1.355 16.134 7.207) 17.723 37.942 ( -23.446 29.077 -16.239) 40.730 37.942 ( 23.446 29.077 -16.239) 40.730 38.161 ( -2.866 24.206 -8.349) 25.765 38.161 ( 2.866 24.206 -8.349) 25.765 42.287 ( -6.038 6.567 7.687) 11.776 42.287 ( 6.038 6.567 7.687) 11.776 42.821 ( -7.517 -5.409 -1.596) 9.397 42.821 ( 7.517 -5.409 -1.596) 9.397 43.254 ( -3.707 -9.871 -5.124) 11.723 43.254 ( 3.707 -9.871 -5.124) 11.723 43.762 ( -11.560 -14.811 -12.636) 22.642 43.762 ( 11.560 -14.811 -12.636) 22.642 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.00 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 0.000 10.848 14.651) 18.230 2.846 ( 0.000 7.375 6.326) 9.717 3.029 ( 0.000 -0.240 2.903) 2.913 3.078 ( 0.000 -2.493 -4.864) 5.466 3.199 ( 0.000 6.922 6.875) 9.756 3.376 ( 0.000 0.692 -1.881) 2.005 3.444 ( 0.000 7.299 2.948) 7.871 3.777 ( 0.000 -3.094 -4.386) 5.367 3.874 ( 0.000 -5.048 -4.158) 6.539 4.103 ( 0.000 -13.328 2.669) 13.592 4.326 ( 0.000 10.127 -19.810) 22.248 4.460 ( 0.000 5.589 -2.106) 5.973 4.487 ( 0.000 0.713 -1.895) 2.025 4.921 ( 0.000 -6.850 -13.987) 15.574 4.977 ( 0.000 -1.205 -0.427) 1.278 5.191 ( 0.000 -7.984 -3.356) 8.661 5.419 ( 0.000 2.936 -3.068) 4.246 5.458 ( 0.000 2.368 0.582) 2.439 5.716 ( 0.000 -5.565 -5.999) 8.182 5.796 ( 0.000 -0.832 -8.705) 8.744 5.901 ( 0.000 7.723 17.349) 18.990 6.223 ( 0.000 -5.614 -1.388) 5.783 6.369 ( 0.000 -1.019 3.148) 3.309 6.583 ( 0.000 -9.946 -3.640) 10.591 6.994 ( 0.000 7.583 12.413) 14.546 7.090 ( 0.000 4.548 6.022) 7.546 7.159 ( 0.000 13.120 4.518) 13.877 7.524 ( 0.000 -0.406 -3.756) 3.778 8.039 ( 0.000 4.097 -12.341) 13.003 8.215 ( 0.000 -3.274 -4.417) 5.498 8.268 ( 0.000 2.967 -9.326) 9.786 8.481 ( 0.000 -4.227 -4.744) 6.354 9.116 ( 0.000 -0.738 13.822) 13.842 9.126 ( 0.000 -2.041 14.419) 14.562 9.575 ( 0.000 -3.382 5.761) 6.681 9.598 ( 0.000 -6.502 3.302) 7.293 12.562 ( 0.000 24.049 1.083) 24.073 12.702 ( 0.000 26.677 -2.969) 26.842 12.740 ( 0.000 40.071 -0.171) 40.071 12.767 ( 0.000 44.804 -0.695) 44.810 12.932 ( 0.000 57.239 1.728) 57.265 13.034 ( 0.000 59.191 0.472) 59.193 13.100 ( 0.000 26.821 5.944) 27.472 13.551 ( 0.000 20.365 -4.032) 20.760 15.139 ( 0.000 -4.411 0.652) 4.459 15.267 ( 0.000 -7.264 -1.708) 7.462 15.395 ( 0.000 -9.405 1.869) 9.589 15.603 ( 0.000 -12.047 -2.563) 12.317 16.769 ( 0.000 -60.648 0.693) 60.652 16.800 ( 0.000 -58.292 1.120) 58.303 16.875 ( 0.000 -61.960 -1.300) 61.974 16.914 ( 0.000 -60.612 -0.730) 60.616 19.448 ( 0.000 1.119 9.519) 9.584 19.469 ( 0.000 1.304 8.307) 8.409 19.578 ( 0.000 -4.769 13.397) 14.221 19.584 ( 0.000 -3.835 12.461) 13.037 20.247 ( 0.000 9.464 -6.833) 11.673 20.286 ( 0.000 9.110 -6.722) 11.321 20.628 ( 0.000 -9.372 -8.020) 12.335 20.652 ( 0.000 -9.110 -7.933) 12.080 25.370 ( 0.000 54.050 2.301) 54.099 25.552 ( 0.000 49.664 -0.653) 49.668 25.642 ( 0.000 49.390 0.035) 49.390 25.677 ( 0.000 50.439 -0.445) 50.441 27.414 ( 0.000 -51.092 1.838) 51.125 27.493 ( 0.000 -50.417 1.479) 50.439 27.575 ( 0.000 -51.679 -1.058) 51.690 27.657 ( 0.000 -52.015 -1.544) 52.038 37.040 ( 0.000 22.246 8.533) 23.826 37.178 ( 0.000 21.483 11.904) 24.561 37.469 ( 0.000 1.607 8.514) 8.665 37.571 ( 0.000 2.813 8.700) 9.143 37.945 ( 0.000 22.155 -9.027) 23.923 38.311 ( 0.000 4.416 -7.728) 8.901 38.674 ( 0.000 16.610 -12.800) 20.970 38.957 ( 0.000 1.195 -24.208) 24.237 42.363 ( 0.000 14.258 4.003) 14.810 42.380 ( 0.000 10.260 1.051) 10.313 42.614 ( 0.000 9.993 5.223) 11.275 42.695 ( 0.000 -7.349 3.202) 8.016 42.994 ( 0.000 -14.072 -2.060) 14.222 43.091 ( 0.000 -12.150 -0.630) 12.167 43.492 ( 0.000 -1.116 -6.401) 6.498 43.747 ( 0.000 -15.043 -14.140) 20.646 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -1.470 8.310 10.340) 13.347 2.806 ( -3.380 5.147 7.359) 9.595 2.976 ( -1.991 1.616 4.439) 5.127 3.052 ( -3.633 2.495 3.131) 5.406 3.257 ( 6.090 3.827 -1.272) 7.304 3.422 ( -0.824 4.427 1.710) 4.817 3.466 ( 4.212 1.172 -3.331) 5.496 3.691 ( -7.575 -4.339 -3.811) 9.525 3.908 ( 5.839 3.647 -3.528) 7.736 4.190 ( -0.735 1.903 1.471) 2.515 4.299 ( 4.124 -3.427 -2.064) 5.745 4.440 ( 4.598 0.295 -14.711) 15.416 4.719 ( 11.414 0.788 -3.442) 11.947 4.865 ( -7.570 -3.503 1.672) 8.507 4.984 ( 1.724 -1.732 -7.673) 8.053 5.106 ( -0.264 -7.413 -13.033) 14.997 5.323 ( -7.818 4.972 -1.566) 9.397 5.542 ( -7.551 -4.138 4.148) 9.558 5.769 ( 3.188 -1.015 -2.121) 3.962 5.818 ( 1.688 0.338 -4.412) 4.736 5.899 ( 15.631 -1.165 1.431) 15.740 6.286 ( -0.152 0.905 -1.074) 1.413 6.373 ( 2.267 -3.801 6.477) 7.845 6.638 ( -8.139 -2.567 6.942) 11.001 6.837 ( 5.920 -0.022 3.215) 6.737 7.000 ( -6.775 8.705 -0.334) 11.036 7.219 ( -4.041 5.050 6.746) 9.345 7.369 ( -12.256 0.794 -1.202) 12.340 8.021 ( 0.987 1.055 -8.757) 8.875 8.148 ( -5.486 -0.511 -7.897) 9.629 8.366 ( 9.608 2.041 -6.415) 11.732 8.559 ( 2.529 1.732 -5.768) 6.532 9.102 ( -0.149 -2.136 13.658) 13.825 9.139 ( -0.096 -1.124 13.791) 13.837 9.557 ( -1.009 -5.084 5.131) 7.293 9.582 ( -1.366 -5.896 3.845) 7.170 12.625 ( -0.778 32.852 0.642) 32.867 12.689 ( 6.467 25.167 0.656) 25.993 12.763 ( 1.128 45.486 -0.159) 45.500 12.846 ( 3.571 36.248 -1.191) 36.443 12.913 ( 0.194 53.125 1.842) 53.157 13.036 ( 1.877 49.457 0.740) 49.498 13.110 ( -0.285 35.822 2.780) 35.931 13.440 ( -9.631 22.120 -3.232) 24.341 15.186 ( 3.729 -5.090 0.648) 6.343 15.299 ( 2.092 -8.012 -0.463) 8.293 15.378 ( -0.613 -9.339 0.301) 9.364 15.557 ( -4.001 -11.738 -2.541) 12.659 16.775 ( 0.482 -60.504 0.773) 60.511 16.797 ( -0.308 -58.925 1.112) 58.936 16.882 ( 0.642 -61.441 -1.276) 61.458 16.910 ( -0.355 -60.578 -0.853) 60.585 19.451 ( 0.270 1.130 9.358) 9.430 19.466 ( -0.271 1.258 8.503) 8.600 19.578 ( 0.033 -4.582 13.231) 14.001 19.582 ( -0.116 -3.920 12.565) 13.163 20.253 ( 0.520 9.400 -6.814) 11.621 20.281 ( -0.495 9.149 -6.735) 11.372 20.631 ( 0.306 -9.311 -8.018) 12.291 20.648 ( -0.310 -9.127 -7.957) 12.112 25.400 ( 2.739 53.542 2.168) 53.656 25.546 ( -1.215 49.622 0.401) 49.639 25.624 ( -1.238 50.535 -0.768) 50.556 25.654 ( -1.577 50.338 -0.456) 50.365 27.426 ( 1.048 -50.871 1.804) 50.914 27.483 ( -0.971 -50.294 1.584) 50.328 27.585 ( 0.921 -51.957 -1.181) 51.978 27.643 ( -1.185 -52.140 -1.485) 52.175 37.056 ( 1.483 22.130 8.923) 23.907 37.153 ( -2.094 21.550 11.276) 24.412 37.481 ( 1.129 1.727 8.443) 8.691 37.551 ( -1.588 2.665 8.391) 8.946 38.064 ( 10.527 20.539 -10.046) 25.172 38.363 ( 4.479 6.021 -8.344) 11.222 38.619 ( -4.768 14.536 -11.993) 19.438 38.763 ( -15.837 6.901 -20.385) 26.720 42.386 ( 2.106 12.236 4.368) 13.162 42.531 ( 11.376 4.790 -0.827) 12.371 42.542 ( -4.212 7.833 6.069) 10.767 42.759 ( 2.928 -3.556 1.085) 4.732 43.008 ( 1.285 -13.255 -1.689) 13.424 43.078 ( -1.139 -11.853 -0.833) 11.936 43.492 ( 0.484 -2.457 -7.120) 7.547 43.681 ( -5.609 -12.821 -13.085) 19.159 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -1.462 5.722 7.766) 9.756 2.744 ( 1.462 5.722 7.766) 9.756 2.979 ( -2.153 2.147 5.219) 6.040 2.979 ( 2.153 2.147 5.219) 6.040 3.380 ( -3.833 4.870 -1.613) 6.404 3.380 ( 3.833 4.870 -1.613) 6.404 3.547 ( -4.696 -1.500 -4.348) 6.574 3.547 ( 4.696 -1.500 -4.348) 6.574 4.068 ( -7.537 8.166 -0.491) 11.123 4.068 ( 7.537 8.166 -0.491) 11.123 4.468 ( -5.882 -6.708 -5.400) 10.428 4.468 ( 5.882 -6.708 -5.400) 10.428 4.803 ( -5.048 0.505 -5.058) 7.164 4.803 ( 5.048 0.506 -5.058) 7.164 5.053 ( -11.677 -2.969 -1.061) 12.096 5.053 ( 11.677 -2.969 -1.061) 12.096 5.310 ( -11.741 -3.665 -7.368) 14.338 5.310 ( 11.741 -3.665 -7.368) 14.338 5.847 ( -1.391 2.570 -0.717) 3.009 5.847 ( 1.391 2.570 -0.717) 3.009 6.239 ( -8.923 -3.458 2.987) 10.025 6.239 ( 8.923 -3.458 2.987) 10.025 6.416 ( -5.466 -0.372 4.637) 7.178 6.416 ( 5.466 -0.372 4.637) 7.178 6.971 ( -8.471 3.799 -4.018) 10.116 6.971 ( 8.471 3.799 -4.018) 10.116 7.120 ( -12.675 -0.279 6.282) 14.149 7.120 ( 12.675 -0.279 6.282) 14.149 8.071 ( -2.718 0.222 -6.618) 7.158 8.071 ( 2.718 0.222 -6.618) 7.158 8.534 ( -4.875 4.846 -6.726) 9.617 8.534 ( 4.875 4.846 -6.726) 9.617 9.118 ( -1.382 -2.060 13.435) 13.662 9.118 ( 1.382 -2.060 13.435) 13.662 9.553 ( -0.817 -6.085 4.447) 7.581 9.553 ( 0.817 -6.085 4.447) 7.581 12.657 ( -3.461 36.727 2.741) 36.991 12.657 ( 3.461 36.727 2.741) 36.991 12.863 ( -2.166 46.299 -1.380) 46.370 12.863 ( 2.166 46.299 -1.380) 46.370 13.015 ( -6.949 35.002 1.378) 35.711 13.015 ( 6.949 35.002 1.378) 35.711 13.195 ( -10.529 32.672 -1.329) 34.353 13.195 ( 10.530 32.672 -1.329) 34.353 15.272 ( -3.657 -6.864 1.258) 7.878 15.272 ( 3.657 -6.864 1.258) 7.878 15.447 ( -5.554 -10.734 -2.429) 12.328 15.447 ( 5.554 -10.734 -2.429) 12.328 16.787 ( -0.549 -59.942 0.972) 59.953 16.787 ( 0.549 -59.942 0.972) 59.953 16.898 ( -0.715 -60.755 -1.106) 60.769 16.898 ( 0.715 -60.755 -1.106) 60.769 19.458 ( -0.384 1.177 8.948) 9.033 19.458 ( 0.384 1.177 8.948) 9.033 19.580 ( -0.105 -4.200 12.867) 13.535 19.580 ( 0.105 -4.200 12.867) 13.535 20.267 ( -0.716 9.262 -6.772) 11.496 20.267 ( 0.716 9.262 -6.772) 11.496 20.640 ( -0.435 -9.196 -7.999) 12.196 20.640 ( 0.435 -9.196 -7.999) 12.196 25.480 ( -4.149 51.816 1.744) 52.011 25.480 ( 4.149 51.816 1.744) 52.011 25.623 ( -1.069 50.450 -1.019) 50.471 25.623 ( 1.069 50.450 -1.019) 50.471 27.455 ( -1.464 -50.436 1.716) 50.486 27.455 ( 1.464 -50.436 1.716) 50.486 27.612 ( -1.502 -52.225 -1.351) 52.264 27.612 ( 1.502 -52.225 -1.351) 52.264 37.101 ( -2.455 21.823 9.986) 24.124 37.101 ( 2.455 21.823 9.986) 24.124 37.513 ( -1.709 2.092 8.331) 8.758 37.513 ( 1.709 2.092 8.331) 8.758 38.371 ( -16.509 15.314 -13.822) 26.422 38.371 ( 16.509 15.314 -13.822) 26.422 38.495 ( -5.681 10.308 -10.341) 15.667 38.495 ( 5.681 10.308 -10.341) 15.667 42.452 ( -3.801 9.729 5.514) 11.811 42.452 ( 3.801 9.729 5.514) 11.811 42.743 ( -5.707 -2.228 -1.368) 6.278 42.743 ( 5.707 -2.228 -1.368) 6.278 43.044 ( -1.837 -11.592 -1.194) 11.797 43.044 ( 1.837 -11.592 -1.194) 11.797 43.548 ( -5.167 -7.112 -9.941) 13.270 43.548 ( 5.167 -7.112 -9.941) 13.270 ======================= Grid point 160 (61/105) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.000 -4.401 9.808) 10.750 2.944 ( 0.000 4.401 9.808) 10.750 2.991 ( 0.000 -2.829 -1.928) 3.424 2.991 ( 0.000 2.829 -1.928) 3.424 3.351 ( 0.000 -4.030 4.711) 6.200 3.351 ( 0.000 4.030 4.711) 6.200 3.630 ( 0.000 -10.669 1.354) 10.754 3.630 ( 0.000 10.669 1.354) 10.754 3.862 ( 0.000 -7.727 -4.506) 8.945 3.862 ( 0.000 7.727 -4.506) 8.945 4.492 ( 0.000 -0.716 -4.480) 4.537 4.492 ( 0.000 0.716 -4.480) 4.537 4.679 ( 0.000 -17.269 -16.521) 23.899 4.679 ( 0.000 17.269 -16.521) 23.899 5.017 ( 0.000 -5.868 0.115) 5.870 5.017 ( 0.000 5.869 0.115) 5.870 5.461 ( 0.000 -0.657 -2.725) 2.803 5.461 ( 0.000 0.657 -2.725) 2.803 5.731 ( 0.000 -4.513 -4.272) 6.215 5.731 ( 0.000 4.514 -4.272) 6.215 6.084 ( 0.000 -6.647 6.749) 9.473 6.084 ( 0.000 6.647 6.749) 9.473 6.415 ( 0.000 -5.310 0.008) 5.310 6.415 ( 0.000 5.310 0.008) 5.310 7.085 ( 0.000 -0.956 11.746) 11.784 7.085 ( 0.000 0.956 11.746) 11.784 7.423 ( 0.000 -10.040 -2.259) 10.291 7.423 ( 0.000 10.040 -2.259) 10.291 8.128 ( 0.000 -3.491 -7.673) 8.430 8.128 ( 0.000 3.491 -7.673) 8.430 8.363 ( 0.000 -4.734 -8.163) 9.437 8.363 ( 0.000 4.734 -8.163) 9.437 9.110 ( 0.000 -0.008 13.720) 13.720 9.110 ( 0.000 0.008 13.720) 13.720 9.537 ( 0.000 -0.003 4.984) 4.984 9.537 ( 0.000 0.003 4.984) 4.984 12.956 ( 0.000 -12.021 1.033) 12.065 12.956 ( 0.000 12.021 1.033) 12.065 13.105 ( 0.000 -9.342 -3.032) 9.822 13.105 ( 0.000 9.342 -3.032) 9.822 13.463 ( 0.000 -3.878 4.525) 5.959 13.463 ( 0.000 3.878 4.525) 5.959 13.734 ( 0.000 -8.094 -1.575) 8.246 13.734 ( 0.000 8.094 -1.575) 8.246 15.629 ( 0.000 -50.902 0.450) 50.904 15.629 ( 0.000 50.902 0.450) 50.904 15.697 ( 0.000 -48.638 0.045) 48.638 15.697 ( 0.000 48.638 0.045) 48.638 15.772 ( 0.000 -46.652 -0.502) 46.655 15.772 ( 0.000 46.652 -0.502) 46.655 15.845 ( 0.000 -40.068 -1.183) 40.085 15.845 ( 0.000 40.068 -1.183) 40.085 19.497 ( 0.000 -3.522 11.446) 11.976 19.497 ( 0.000 3.522 11.446) 11.976 19.516 ( 0.000 -3.148 10.305) 10.775 19.516 ( 0.000 3.148 10.305) 10.775 20.438 ( 0.000 -9.998 -7.658) 12.594 20.438 ( 0.000 9.998 -7.658) 12.594 20.470 ( 0.000 -9.547 -7.587) 12.195 20.470 ( 0.000 9.547 -7.587) 12.195 26.408 ( 0.000 -52.697 1.883) 52.731 26.408 ( 0.000 52.697 1.883) 52.731 26.518 ( 0.000 -49.934 0.403) 49.936 26.518 ( 0.000 49.934 0.403) 49.936 26.598 ( 0.000 -49.332 -0.228) 49.332 26.598 ( 0.000 49.332 -0.228) 49.332 26.659 ( 0.000 -50.851 -1.027) 50.862 26.659 ( 0.000 50.851 -1.027) 50.862 37.371 ( 0.000 -11.388 8.901) 14.454 37.371 ( 0.000 11.388 8.901) 14.454 37.493 ( 0.000 -10.529 10.278) 14.714 37.493 ( 0.000 10.529 10.278) 14.714 38.256 ( 0.000 -9.737 -8.299) 12.794 38.256 ( 0.000 9.737 -8.299) 12.794 38.900 ( 0.000 -7.060 -17.463) 18.837 38.900 ( 0.000 7.060 -17.463) 18.837 42.543 ( 0.000 -8.230 2.391) 8.570 42.543 ( 0.000 8.230 2.391) 8.570 42.685 ( 0.000 -16.724 1.747) 16.815 42.685 ( 0.000 16.724 1.747) 16.815 42.844 ( 0.000 -12.945 1.517) 13.034 42.844 ( 0.000 12.945 1.517) 13.034 43.542 ( 0.000 -6.296 -9.823) 11.668 43.542 ( 0.000 6.296 -9.823) 11.668 ======================= Grid point 162 (62/105) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -4.478 -0.000 0.926) 4.572 2.865 ( -4.094 0.000 6.763) 7.906 2.979 ( 0.504 -0.000 10.352) 10.364 3.078 ( -3.030 -0.000 3.031) 4.286 3.305 ( 6.116 -0.000 -0.447) 6.132 3.485 ( 3.150 0.000 0.084) 3.151 3.551 ( -4.136 -0.000 -1.275) 4.328 3.552 ( -4.272 0.000 -1.273) 4.458 4.013 ( 11.017 -0.000 -2.401) 11.275 4.035 ( 11.381 0.000 0.354) 11.386 4.388 ( -4.130 -0.000 -0.260) 4.138 4.467 ( -3.512 0.000 -14.931) 15.338 4.744 ( 8.425 0.000 -2.860) 8.897 4.863 ( -7.261 -0.000 4.254) 8.415 4.916 ( 11.490 0.000 -23.201) 25.890 4.972 ( -3.357 0.000 -4.813) 5.868 5.417 ( -2.509 0.000 -9.525) 9.850 5.467 ( -16.890 -0.000 10.666) 19.976 5.748 ( 3.715 -0.000 -7.612) 8.470 5.809 ( 5.566 0.000 -2.822) 6.240 5.898 ( 12.269 0.000 5.369) 13.392 6.324 ( -2.558 -0.000 -4.695) 5.347 6.336 ( 2.871 0.000 6.404) 7.019 6.578 ( 0.916 0.000 9.463) 9.507 6.846 ( -0.205 0.000 8.009) 8.011 7.080 ( -7.614 0.000 1.468) 7.755 7.309 ( -14.028 0.000 -4.101) 14.615 7.350 ( -5.498 -0.000 7.418) 9.233 8.028 ( 0.161 0.000 -7.252) 7.254 8.142 ( -5.997 -0.000 -8.253) 10.201 8.386 ( 12.434 0.000 -6.898) 14.219 8.568 ( 5.572 0.000 -6.721) 8.730 9.081 ( -0.561 0.000 12.965) 12.977 9.131 ( -0.340 0.000 13.105) 13.109 9.500 ( -1.751 0.000 4.858) 5.164 9.526 ( -1.670 -0.000 4.547) 4.844 12.976 ( 2.358 -0.000 1.408) 2.747 12.983 ( 2.296 0.000 2.151) 3.146 13.166 ( 3.751 0.000 -1.292) 3.967 13.179 ( 4.950 -0.000 -3.759) 6.216 13.395 ( -2.578 0.000 4.901) 5.538 13.485 ( -0.056 0.000 2.649) 2.650 13.665 ( -3.927 0.000 -1.899) 4.362 13.723 ( -2.651 -0.000 -1.596) 3.094 15.623 ( 0.460 -0.000 0.156) 0.486 15.654 ( 1.023 0.000 0.879) 1.349 15.669 ( -0.662 -0.001 -0.126) 0.673 15.693 ( -1.727 0.000 1.027) 2.010 15.781 ( 1.139 0.000 -2.082) 2.373 15.789 ( 0.189 -0.000 -0.234) 0.301 15.812 ( -0.374 -0.000 -1.095) 1.158 15.867 ( 0.077 0.000 -0.945) 0.948 19.498 ( 0.115 -0.000 11.336) 11.336 19.499 ( 0.132 0.000 11.335) 11.336 19.513 ( -0.153 -0.000 10.407) 10.408 19.514 ( -0.136 0.000 10.413) 10.413 20.441 ( 0.235 0.000 -7.622) 7.626 20.443 ( 0.277 -0.000 -7.638) 7.643 20.466 ( -0.260 -0.000 -7.618) 7.623 20.468 ( -0.217 0.000 -7.626) 7.629 26.414 ( 0.950 0.000 1.529) 1.800 26.428 ( 1.140 -0.000 2.039) 2.337 26.503 ( -0.402 -0.000 0.322) 0.515 26.519 ( -0.603 0.000 1.100) 1.254 26.590 ( -0.794 -0.000 0.000) 0.794 26.600 ( -0.953 0.000 -0.326) 1.007 26.626 ( -0.177 -0.000 -1.770) 1.779 26.669 ( -0.346 -0.000 -0.767) 0.842 37.378 ( 0.982 0.000 9.229) 9.281 37.392 ( 1.514 -0.000 8.679) 8.810 37.461 ( -2.098 -0.000 10.143) 10.358 37.480 ( -1.590 0.000 9.820) 9.948 38.337 ( 7.241 0.000 -9.221) 11.725 38.346 ( 7.724 -0.000 -9.108) 11.942 38.786 ( -9.304 -0.000 -15.810) 18.345 38.801 ( -8.851 0.000 -15.436) 17.794 42.548 ( 1.273 -0.000 1.971) 2.347 42.584 ( 1.436 0.000 2.470) 2.857 42.711 ( 2.041 -0.000 2.435) 3.178 42.723 ( 2.742 0.000 1.293) 3.032 42.849 ( 1.162 -0.000 0.009) 1.162 42.854 ( 0.498 0.000 1.130) 1.235 43.506 ( -2.278 -0.000 -9.763) 10.025 43.522 ( -2.147 0.000 -9.299) 9.543 ======================= Grid point 164 (63/105) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -1.071 0.000 3.693) 3.845 2.802 ( 1.071 0.000 3.693) 3.845 3.002 ( -2.281 -0.000 7.928) 8.249 3.002 ( 2.281 -0.000 7.928) 8.249 3.453 ( -5.157 -0.000 -4.127) 6.604 3.453 ( 5.157 -0.000 -4.127) 6.604 3.506 ( -0.182 0.000 -1.049) 1.065 3.506 ( 0.182 0.000 -1.049) 1.065 4.201 ( -0.182 0.000 1.409) 1.420 4.201 ( 0.182 0.000 1.409) 1.421 4.356 ( -4.531 0.000 -6.436) 7.871 4.356 ( 4.531 0.000 -6.436) 7.871 4.829 ( -5.537 0.000 -8.936) 10.512 4.829 ( 5.537 0.000 -8.936) 10.512 5.016 ( -14.763 0.000 4.053) 15.309 5.016 ( 14.763 0.000 4.053) 15.309 5.254 ( -10.408 -0.000 -11.290) 15.356 5.254 ( 10.408 -0.000 -11.290) 15.356 5.864 ( -3.901 -0.000 -2.865) 4.840 5.864 ( 3.901 0.000 -2.865) 4.840 6.207 ( -13.159 0.000 6.868) 14.844 6.207 ( 13.159 0.000 6.868) 14.844 6.411 ( -8.821 0.000 2.888) 9.282 6.411 ( 8.821 0.000 2.888) 9.282 7.011 ( -6.084 0.000 -4.436) 7.530 7.011 ( 6.084 0.000 -4.436) 7.530 7.119 ( -14.691 0.000 8.447) 16.947 7.119 ( 14.691 0.000 8.447) 16.947 8.070 ( -2.395 0.000 -6.584) 7.006 8.070 ( 2.395 0.000 -6.584) 7.006 8.584 ( -4.501 0.000 -6.533) 7.933 8.584 ( 4.501 0.000 -6.533) 7.933 9.097 ( -1.916 0.000 12.533) 12.679 9.097 ( 1.916 0.000 12.533) 12.679 9.490 ( -0.967 0.000 4.476) 4.579 9.490 ( 0.967 0.000 4.476) 4.579 13.021 ( -0.217 -0.000 2.750) 2.758 13.021 ( 0.217 0.000 2.750) 2.758 13.213 ( -1.120 0.000 -0.295) 1.158 13.213 ( 1.120 0.000 -0.295) 1.158 13.435 ( -4.882 0.000 0.780) 4.944 13.435 ( 4.882 0.000 0.780) 4.944 13.645 ( -3.077 -0.000 -1.622) 3.478 13.645 ( 3.077 0.000 -1.622) 3.478 15.645 ( -1.423 -0.000 0.429) 1.486 15.645 ( 1.423 -0.000 0.429) 1.486 15.670 ( -0.454 0.000 0.517) 0.688 15.670 ( 0.454 0.000 0.517) 0.688 15.783 ( -0.280 -0.000 -1.206) 1.238 15.783 ( 0.280 0.000 -1.206) 1.238 15.846 ( -1.844 -0.000 -0.973) 2.085 15.846 ( 1.844 0.000 -0.973) 2.085 19.500 ( -0.036 -0.000 11.187) 11.187 19.500 ( 0.036 -0.000 11.187) 11.187 19.512 ( -0.059 0.000 10.551) 10.552 19.512 ( 0.059 0.000 10.551) 10.552 20.446 ( -0.114 -0.000 -7.575) 7.576 20.446 ( 0.114 0.000 -7.575) 7.576 20.463 ( -0.114 0.000 -7.683) 7.684 20.463 ( 0.114 -0.000 -7.683) 7.684 26.437 ( -0.616 -0.000 1.532) 1.651 26.437 ( 0.616 -0.000 1.532) 1.651 26.506 ( -0.505 0.000 1.224) 1.324 26.506 ( 0.505 0.000 1.224) 1.324 26.574 ( -0.071 -0.000 -0.627) 0.631 26.574 ( 0.071 0.000 -0.627) 0.631 26.650 ( -1.289 -0.000 -1.036) 1.654 26.650 ( 1.289 -0.000 -1.036) 1.654 37.409 ( -1.556 0.000 9.232) 9.363 37.409 ( 1.556 0.000 9.232) 9.363 37.438 ( -1.755 -0.000 9.498) 9.659 37.438 ( 1.755 -0.000 9.498) 9.659 38.531 ( -3.903 0.000 -11.531) 12.174 38.531 ( 3.903 0.000 -11.531) 12.174 38.581 ( -4.145 -0.000 -12.363) 13.039 38.581 ( 4.145 -0.000 -12.363) 13.039 42.581 ( -1.341 0.000 2.207) 2.582 42.581 ( 1.341 0.000 2.207) 2.582 42.750 ( -0.829 -0.000 2.439) 2.576 42.750 ( 0.829 -0.000 2.439) 2.576 42.869 ( -0.245 0.000 -1.021) 1.050 42.869 ( 0.245 0.000 -1.021) 1.050 43.481 ( -0.675 0.000 -9.165) 9.190 43.481 ( 0.675 0.000 -9.165) 9.190 ======================= Grid point 195 (64/105) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.000 0.000 18.571) 18.571 1.787 ( 0.000 0.000 27.323) 27.323 1.913 ( 0.000 0.000 -9.936) 9.936 2.766 ( 0.000 0.000 -20.136) 20.136 2.847 ( 0.000 0.000 6.782) 6.782 2.906 ( 0.000 0.000 10.566) 10.566 3.076 ( 0.000 0.000 8.130) 8.130 3.183 ( 0.000 0.000 -1.740) 1.740 3.235 ( 0.000 0.000 25.680) 25.680 3.794 ( 0.000 0.000 5.521) 5.521 4.007 ( 0.000 0.000 -0.090) 0.090 4.036 ( 0.000 0.000 -6.899) 6.899 4.449 ( 0.000 0.000 -2.276) 2.276 4.568 ( 0.000 0.000 0.685) 0.685 4.585 ( 0.000 0.000 -5.016) 5.016 4.744 ( 0.000 0.000 -5.037) 5.037 5.101 ( 0.000 0.000 0.239) 0.239 5.191 ( 0.000 0.000 -2.385) 2.385 5.245 ( 0.000 0.000 -0.392) 0.392 5.303 ( 0.000 0.000 -2.205) 2.205 5.509 ( 0.000 0.000 14.862) 14.862 5.839 ( 0.000 0.000 11.364) 11.364 6.274 ( 0.000 0.000 9.522) 9.522 6.464 ( 0.000 0.000 2.432) 2.432 6.693 ( 0.000 0.000 -17.438) 17.438 6.740 ( 0.000 0.000 -23.479) 23.479 7.147 ( 0.000 0.000 6.001) 6.001 7.159 ( 0.000 0.000 8.357) 8.357 7.200 ( 0.000 0.000 4.860) 4.860 7.842 ( 0.000 0.000 -10.612) 10.612 7.885 ( 0.000 0.000 -21.382) 21.382 7.985 ( 0.000 0.000 -11.542) 11.542 8.999 ( 0.000 0.000 5.312) 5.312 9.194 ( 0.000 0.000 -3.188) 3.188 9.511 ( 0.000 0.000 11.173) 11.173 9.544 ( 0.000 0.000 1.011) 1.011 9.597 ( 0.000 0.000 -1.349) 1.349 9.756 ( 0.000 0.000 -0.269) 0.269 10.739 ( 0.000 0.000 1.941) 1.941 10.796 ( 0.000 0.000 -0.274) 0.274 10.935 ( 0.000 0.000 7.287) 7.287 11.018 ( 0.000 0.000 1.820) 1.820 11.141 ( 0.000 0.000 1.069) 1.069 11.188 ( 0.000 0.000 -1.000) 1.000 18.466 ( 0.000 0.000 2.254) 2.254 18.558 ( 0.000 0.000 -2.038) 2.038 18.582 ( 0.000 0.000 1.292) 1.292 18.630 ( 0.000 0.000 -0.882) 0.882 18.901 ( 0.000 0.000 1.714) 1.714 18.968 ( 0.000 0.000 1.805) 1.805 18.968 ( 0.000 0.000 -1.530) 1.530 19.047 ( 0.000 0.000 -1.805) 1.805 19.994 ( 0.000 0.000 15.297) 15.297 20.409 ( 0.000 0.000 -5.359) 5.359 20.584 ( 0.000 0.000 1.449) 1.449 20.654 ( 0.000 0.000 -1.983) 1.983 20.768 ( 0.000 0.000 1.756) 1.756 20.802 ( 0.000 0.000 2.088) 2.088 20.835 ( 0.000 0.000 -1.471) 1.471 20.890 ( 0.000 0.000 -1.915) 1.915 21.515 ( 0.000 0.000 6.966) 6.966 21.805 ( 0.000 0.000 -5.900) 5.900 21.906 ( 0.000 0.000 1.079) 1.079 21.959 ( 0.000 0.000 -1.430) 1.430 31.903 ( 0.000 0.000 0.359) 0.359 31.910 ( 0.000 0.000 -0.051) 0.051 31.932 ( 0.000 0.000 0.258) 0.258 31.939 ( 0.000 0.000 0.056) 0.056 34.733 ( 0.000 0.000 0.389) 0.389 34.734 ( 0.000 0.000 0.302) 0.302 34.746 ( 0.000 0.000 -0.285) 0.285 34.751 ( 0.000 0.000 -0.462) 0.462 35.318 ( 0.000 0.000 1.774) 1.774 35.390 ( 0.000 0.000 -1.553) 1.553 35.454 ( 0.000 0.000 0.614) 0.614 35.469 ( 0.000 0.000 -0.105) 0.105 41.784 ( 0.000 0.000 -0.025) 0.025 41.815 ( 0.000 0.000 -1.285) 1.285 43.177 ( 0.000 0.000 6.729) 6.729 43.232 ( 0.000 0.000 35.565) 35.565 43.393 ( 0.000 0.000 11.059) 11.059 43.566 ( 0.000 0.000 -12.140) 12.140 43.887 ( 0.000 0.000 -11.889) 11.889 45.027 ( 0.000 0.000 -50.249) 50.249 ======================= Grid point 196 (65/105) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 27.300 0.000 12.848) 30.172 1.901 ( 12.654 0.000 12.747) 17.961 2.264 ( 23.851 0.000 0.671) 23.861 2.711 ( -18.778 0.000 9.594) 21.087 2.714 ( -7.159 0.000 0.918) 7.217 2.873 ( -1.154 0.000 -10.543) 10.606 3.034 ( 1.068 0.000 7.901) 7.973 3.165 ( 0.099 0.000 -3.732) 3.733 3.424 ( 12.749 0.000 21.105) 24.657 3.733 ( -8.666 0.000 5.162) 10.087 3.861 ( 8.272 0.000 0.988) 8.331 4.110 ( -2.380 0.000 -11.456) 11.701 4.398 ( -10.024 0.000 2.127) 10.247 4.503 ( 2.524 0.000 1.152) 2.774 4.668 ( -3.573 0.000 -1.225) 3.777 4.763 ( -1.421 0.000 -4.775) 4.982 4.993 ( -14.803 0.000 1.891) 14.923 5.101 ( 1.729 0.000 -2.936) 3.407 5.190 ( -3.449 0.000 0.648) 3.509 5.215 ( -1.008 0.000 -1.105) 1.496 5.628 ( 6.246 0.000 13.075) 14.490 5.986 ( 11.461 0.000 8.917) 14.522 6.051 ( -16.567 0.000 13.942) 21.653 6.475 ( -3.660 0.000 1.083) 3.816 6.692 ( 10.118 0.000 -7.996) 12.897 6.697 ( 1.756 0.000 -12.740) 12.860 7.064 ( -6.927 0.000 -8.807) 11.204 7.318 ( 7.970 0.000 12.483) 14.810 7.382 ( -9.332 0.000 -15.477) 18.073 7.737 ( -8.782 0.000 -5.336) 10.276 7.740 ( 16.921 0.000 -9.851) 19.579 8.232 ( 7.101 0.000 -20.051) 21.271 9.060 ( 5.297 0.000 2.724) 5.956 9.124 ( -2.986 0.000 1.373) 3.287 9.342 ( -9.025 0.000 2.219) 9.294 9.408 ( -10.019 0.000 -0.743) 10.046 9.864 ( 20.073 0.000 6.532) 21.109 10.024 ( 16.989 0.000 0.255) 16.991 10.751 ( -11.061 0.000 4.615) 11.985 10.786 ( -16.895 0.000 2.483) 17.076 10.827 ( 6.592 0.000 2.453) 7.034 10.898 ( 4.281 0.000 0.606) 4.324 11.135 ( -3.202 0.000 1.186) 3.415 11.158 ( -3.350 0.000 0.019) 3.350 18.482 ( 1.372 0.000 2.062) 2.477 18.563 ( -1.618 0.000 1.368) 2.119 18.566 ( 0.719 0.000 -1.867) 2.001 18.616 ( -1.174 0.000 -1.022) 1.557 18.915 ( 1.170 0.000 1.740) 2.097 18.963 ( -0.513 0.000 1.796) 1.868 18.983 ( 1.262 0.000 -1.516) 1.972 19.039 ( -0.759 0.000 -1.705) 1.867 20.033 ( 4.039 0.000 14.784) 15.326 20.420 ( 1.201 0.000 -4.891) 5.036 20.481 ( -13.327 0.000 3.514) 13.782 20.541 ( -3.408 0.000 -0.279) 3.420 20.779 ( 0.790 0.000 2.127) 2.269 20.803 ( -0.058 0.000 2.305) 2.306 20.864 ( 1.475 0.000 -1.765) 2.300 20.895 ( 0.199 0.000 -1.882) 1.892 21.522 ( 0.960 0.000 7.381) 7.443 21.747 ( -10.491 0.000 6.341) 12.258 21.818 ( 1.216 0.000 -5.774) 5.901 21.924 ( -2.837 0.000 -2.851) 4.022 31.911 ( 0.631 0.000 0.286) 0.693 31.916 ( 0.486 0.000 0.008) 0.486 31.932 ( -0.134 0.000 0.216) 0.254 31.936 ( -0.251 0.000 0.075) 0.262 34.732 ( -0.060 0.000 0.373) 0.378 34.732 ( -0.091 0.000 0.310) 0.323 34.746 ( -0.022 0.000 -0.308) 0.308 34.749 ( -0.127 0.000 -0.443) 0.461 35.339 ( 1.868 0.000 1.638) 2.484 35.406 ( 1.273 0.000 -1.445) 1.926 35.435 ( -1.621 0.000 0.816) 1.815 35.461 ( -0.771 0.000 -0.378) 0.858 41.992 ( 17.783 0.000 5.289) 18.553 42.421 ( 45.054 0.000 -19.112) 48.940 42.910 ( -17.567 0.000 19.736) 26.421 43.342 ( 3.597 0.000 18.918) 19.257 43.397 ( 0.171 0.000 12.369) 12.370 43.509 ( -5.859 0.000 -14.021) 15.196 43.972 ( 8.912 0.000 -15.707) 18.059 44.837 ( -17.405 0.000 -48.366) 51.403 ======================= Grid point 197 (66/105) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -19.114 0.000 11.520) 22.317 2.265 ( 19.114 0.000 11.520) 22.317 2.285 ( -28.282 0.000 5.495) 28.811 2.285 ( 28.282 0.000 5.495) 28.811 2.784 ( -19.897 0.000 1.397) 19.946 2.784 ( 19.897 0.000 1.397) 19.946 3.002 ( -11.018 0.000 -4.771) 12.007 3.002 ( 11.018 0.000 -4.771) 12.007 3.879 ( -15.449 0.000 -1.410) 15.513 3.879 ( 15.449 0.000 -1.410) 15.513 3.924 ( -19.929 0.000 1.606) 19.993 3.924 ( 19.929 0.000 1.606) 19.993 4.261 ( -10.717 0.000 9.779) 14.508 4.261 ( 10.717 0.000 9.779) 14.508 4.629 ( -8.213 0.000 -4.912) 9.570 4.629 ( 8.213 0.000 -4.912) 9.570 5.041 ( -9.198 0.000 3.495) 9.840 5.041 ( 9.198 0.000 3.495) 9.840 5.179 ( -3.226 0.000 -2.509) 4.087 5.179 ( 3.226 0.000 -2.509) 4.087 5.777 ( -8.646 0.000 14.498) 16.881 5.777 ( 8.646 0.000 14.498) 16.881 6.262 ( -12.923 0.000 2.760) 13.215 6.262 ( 12.923 0.000 2.760) 13.215 6.868 ( -10.416 0.000 -8.015) 13.143 6.868 ( 10.416 0.000 -8.015) 13.143 7.018 ( -17.819 0.000 -11.144) 21.016 7.018 ( 17.819 0.000 -11.144) 21.016 7.518 ( -10.265 0.000 3.968) 11.005 7.518 ( 10.265 0.000 3.968) 11.005 8.166 ( -13.724 0.000 -20.185) 24.409 8.166 ( 13.724 0.000 -20.185) 24.409 9.157 ( -6.276 0.000 3.630) 7.250 9.157 ( 6.276 0.000 3.630) 7.250 9.210 ( -8.230 0.000 0.061) 8.231 9.210 ( 8.230 0.000 0.061) 8.231 10.339 ( -22.576 0.000 4.744) 23.069 10.339 ( 22.576 0.000 4.744) 23.069 10.414 ( -18.027 0.000 2.526) 18.203 10.414 ( 18.027 0.000 2.526) 18.203 11.004 ( -8.132 0.000 1.616) 8.291 11.004 ( 8.132 0.000 1.616) 8.291 11.041 ( -6.982 0.000 0.257) 6.987 11.041 ( 6.982 0.000 0.257) 6.987 18.521 ( -2.085 0.000 1.661) 2.666 18.521 ( 2.085 0.000 1.661) 2.666 18.588 ( -1.249 0.000 -1.436) 1.903 18.588 ( 1.249 0.000 -1.436) 1.903 18.944 ( -1.231 0.000 1.783) 2.167 18.944 ( 1.231 0.000 1.783) 2.167 19.014 ( -1.436 0.000 -1.557) 2.118 19.014 ( 1.436 0.000 -1.557) 2.118 20.193 ( -11.082 0.000 11.695) 16.111 20.193 ( 11.082 0.000 11.695) 16.111 20.466 ( -3.022 0.000 -3.140) 4.358 20.466 ( 3.022 0.000 -3.140) 4.358 20.796 ( -0.651 0.000 2.424) 2.510 20.796 ( 0.651 0.000 2.424) 2.510 20.889 ( -0.782 0.000 -1.736) 1.904 20.889 ( 0.782 0.000 -1.736) 1.904 21.577 ( -4.744 0.000 8.124) 9.408 21.577 ( 4.744 0.000 8.124) 9.408 21.860 ( -2.648 0.000 -4.923) 5.590 21.860 ( 2.648 0.000 -4.923) 5.590 31.925 ( -0.509 0.000 0.237) 0.562 31.925 ( 0.509 0.000 0.237) 0.562 31.928 ( -0.513 0.000 0.078) 0.519 31.928 ( 0.513 0.000 0.078) 0.519 34.731 ( -0.022 0.000 0.339) 0.340 34.731 ( 0.022 0.000 0.339) 0.340 34.746 ( -0.092 0.000 -0.387) 0.397 34.746 ( 0.092 0.000 -0.387) 0.397 35.389 ( -2.460 0.000 1.257) 2.763 35.389 ( 2.460 0.000 1.257) 2.763 35.436 ( -1.403 0.000 -0.943) 1.690 35.436 ( 1.403 0.000 -0.943) 1.690 42.459 ( -23.012 0.000 14.956) 27.445 42.459 ( 23.012 0.000 14.956) 27.445 43.232 ( -23.473 0.000 -22.522) 32.530 43.232 ( 23.473 0.000 -22.522) 32.530 43.389 ( -1.088 0.000 14.666) 14.706 43.389 ( 1.088 0.000 14.666) 14.706 44.339 ( -24.483 0.000 -34.816) 42.563 44.339 ( 24.483 0.000 -34.816) 42.563 ======================= Grid point 200 (67/105) ======================= q-point: ( 0.00 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 17.666 23.302) 29.241 2.088 ( 0.000 52.265 11.955) 53.614 2.400 ( 0.000 35.744 -0.416) 35.746 2.775 ( 0.000 0.739 -11.669) 11.692 3.043 ( 0.000 13.912 6.336) 15.286 3.135 ( 0.000 23.880 7.517) 25.035 3.245 ( 0.000 12.485 4.920) 13.420 3.254 ( 0.000 2.397 18.149) 18.307 3.266 ( 0.000 10.291 -0.702) 10.315 3.984 ( 0.000 -5.813 -8.917) 10.645 4.079 ( 0.000 28.229 3.856) 28.491 4.266 ( 0.000 27.578 -0.839) 27.591 4.299 ( 0.000 -14.384 2.074) 14.532 4.589 ( 0.000 -2.115 -11.491) 11.684 4.607 ( 0.000 10.444 3.082) 10.890 4.932 ( 0.000 17.918 -9.807) 20.426 5.062 ( 0.000 -2.735 3.087) 4.125 5.157 ( 0.000 -4.383 0.212) 4.388 5.216 ( 0.000 -7.264 -1.448) 7.407 5.269 ( 0.000 3.864 -4.416) 5.868 5.591 ( 0.000 7.872 12.006) 14.357 5.795 ( 0.000 -3.940 10.717) 11.418 6.259 ( 0.000 -1.654 10.608) 10.736 6.456 ( 0.000 -0.942 2.771) 2.927 6.590 ( 0.000 -6.304 -14.076) 15.423 6.847 ( 0.000 6.672 -27.432) 28.232 7.031 ( 0.000 -6.814 9.165) 11.421 7.231 ( 0.000 2.696 5.177) 5.837 7.282 ( 0.000 8.765 7.223) 11.357 7.780 ( 0.000 -5.030 -10.179) 11.354 7.883 ( 0.000 0.746 -17.903) 17.918 7.988 ( 0.000 0.086 -12.149) 12.149 9.066 ( 0.000 7.578 4.763) 8.950 9.221 ( 0.000 3.942 -1.561) 4.239 9.494 ( 0.000 -1.327 11.689) 11.764 9.607 ( 0.000 6.758 1.484) 6.919 9.686 ( 0.000 9.037 -2.338) 9.335 9.783 ( 0.000 1.600 -1.453) 2.161 10.833 ( 0.000 -10.717 7.643) 13.164 10.912 ( 0.000 16.405 2.235) 16.557 10.913 ( 0.000 -8.819 3.008) 9.318 10.951 ( 0.000 14.549 0.576) 14.561 11.267 ( 0.000 9.727 0.048) 9.727 11.288 ( 0.000 14.182 -0.880) 14.209 18.059 ( 0.000 -35.148 1.587) 35.184 18.135 ( 0.000 -36.970 -1.652) 37.007 18.188 ( 0.000 -34.775 0.542) 34.779 18.218 ( 0.000 -35.426 -0.739) 35.433 18.892 ( 0.000 -0.868 2.436) 2.586 18.961 ( 0.000 -0.801 2.309) 2.444 18.988 ( 0.000 1.353 -2.115) 2.511 19.061 ( 0.000 1.036 -2.302) 2.524 20.124 ( 0.000 7.228 17.410) 18.850 20.610 ( 0.000 12.336 -4.139) 13.012 20.630 ( 0.000 -14.071 1.511) 14.152 20.653 ( 0.000 -14.554 1.157) 14.600 20.710 ( 0.000 -12.969 -0.639) 12.984 20.749 ( 0.000 -14.146 -1.613) 14.238 20.758 ( 0.000 6.722 2.075) 7.035 20.859 ( 0.000 11.618 -2.103) 11.807 21.752 ( 0.000 23.356 5.890) 24.087 21.965 ( 0.000 18.686 -0.047) 18.686 22.035 ( 0.000 23.473 -0.960) 23.493 22.152 ( 0.000 20.858 -3.236) 21.107 31.432 ( 0.000 -40.636 2.607) 40.719 31.475 ( 0.000 -38.989 2.127) 39.047 31.546 ( 0.000 -37.190 -2.325) 37.263 31.578 ( 0.000 -36.203 -2.166) 36.268 34.927 ( 0.000 18.511 1.350) 18.560 34.975 ( 0.000 24.054 1.502) 24.101 35.022 ( 0.000 25.975 0.330) 25.977 35.367 ( 0.000 56.853 -18.314) 59.730 35.632 ( 0.000 30.588 4.612) 30.934 35.724 ( 0.000 29.630 3.213) 29.804 35.838 ( 0.000 36.439 -3.583) 36.615 35.892 ( 0.000 35.703 -3.308) 35.856 41.797 ( 0.000 1.497 0.301) 1.527 41.835 ( 0.000 2.081 -1.389) 2.502 43.172 ( 0.000 -0.545 5.698) 5.724 43.178 ( 0.000 -5.366 34.086) 34.506 43.340 ( 0.000 -4.765 7.574) 8.948 43.571 ( 0.000 -0.051 -8.591) 8.591 43.855 ( 0.000 -3.288 -11.124) 11.600 44.888 ( 0.000 -13.866 -47.457) 49.441 ======================= Grid point 201 (68/105) ======================= q-point: ( 0.25 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 9.030 15.708 18.018) 25.553 2.268 ( 13.586 35.540 9.141) 39.130 2.664 ( 7.248 23.316 4.119) 24.762 2.824 ( 6.596 7.623 3.004) 10.519 2.850 ( -4.355 18.871 -1.253) 19.407 3.037 ( -11.967 10.504 -2.296) 16.088 3.255 ( 8.291 17.582 1.112) 19.470 3.343 ( 10.034 24.019 5.907) 26.693 3.573 ( 8.901 11.475 10.495) 17.918 3.799 ( -10.991 6.193 6.472) 14.178 3.964 ( -4.912 9.233 -3.597) 11.060 4.085 ( -4.944 4.288 -6.894) 9.505 4.381 ( -3.815 1.232 0.576) 4.051 4.602 ( 3.144 10.270 2.547) 11.039 4.696 ( -3.080 2.749 -5.070) 6.538 4.870 ( -5.652 11.177 -8.178) 14.958 4.980 ( -5.720 1.399 1.781) 6.153 5.088 ( -3.507 -0.996 -3.048) 4.752 5.159 ( -1.111 -1.739 0.516) 2.128 5.209 ( -2.948 -0.208 -2.209) 3.690 5.663 ( 5.470 4.624 14.276) 15.972 5.970 ( 12.893 -2.030 7.810) 15.210 6.077 ( -13.942 3.488 14.002) 20.065 6.468 ( -1.557 -0.932 3.200) 3.679 6.663 ( 11.079 -1.704 -6.257) 12.837 6.764 ( -1.422 5.436 -16.147) 17.097 7.103 ( -6.249 3.397 -7.964) 10.677 7.249 ( 6.762 -7.461 1.524) 10.184 7.397 ( -3.349 2.686 -1.852) 4.676 7.706 ( -6.058 -2.643 -5.119) 8.360 7.762 ( 7.979 3.339 -10.492) 13.598 8.145 ( 4.090 -7.056 -17.567) 19.367 9.122 ( 4.691 6.773 2.942) 8.749 9.174 ( -1.562 5.648 1.983) 6.187 9.370 ( -7.405 3.714 4.300) 9.334 9.499 ( -10.272 8.162 -1.944) 13.263 9.855 ( 17.078 0.038 6.229) 18.179 10.029 ( 15.264 0.321 -0.282) 15.270 10.664 ( -15.219 -10.507 6.077) 19.466 10.705 ( -13.115 -5.099 4.225) 14.692 10.998 ( 5.809 15.995 2.304) 17.173 11.037 ( 6.104 13.397 0.914) 14.751 11.258 ( -2.768 14.556 -0.270) 14.820 11.289 ( -0.365 11.337 -1.603) 11.456 18.076 ( 1.546 -35.072 1.453) 35.136 18.142 ( 0.473 -37.020 -0.944) 37.035 18.172 ( -1.223 -34.317 0.048) 34.339 18.205 ( -1.147 -35.508 -0.943) 35.540 18.906 ( 1.110 -0.936 2.426) 2.828 18.954 ( -0.635 -0.909 2.339) 2.588 19.001 ( 1.132 1.272 -2.123) 2.721 19.053 ( -0.740 1.040 -2.252) 2.588 20.166 ( 4.193 6.982 16.824) 18.691 20.548 ( -8.327 1.036 5.644) 10.112 20.616 ( -0.597 -4.200 -1.766) 4.595 20.638 ( -1.056 -10.936 0.312) 10.991 20.699 ( 0.775 0.373 -1.425) 1.664 20.743 ( 0.234 -9.390 -0.688) 9.418 20.758 ( -0.371 -7.363 -0.293) 7.378 20.819 ( -2.712 7.593 -1.569) 8.214 21.756 ( 0.565 23.757 6.164) 24.550 21.899 ( -6.044 22.326 5.834) 23.854 22.015 ( 0.259 22.384 -4.815) 22.898 22.108 ( -3.054 21.167 -3.632) 21.692 31.442 ( 0.803 -40.490 2.560) 40.578 31.472 ( -0.305 -39.293 2.292) 39.361 31.551 ( 0.435 -37.079 -2.386) 37.158 31.574 ( -0.377 -36.381 -2.216) 36.450 34.934 ( 0.635 19.121 1.568) 19.196 34.974 ( -0.491 23.350 2.742) 23.516 35.030 ( 1.440 27.720 -2.096) 27.836 35.251 ( -8.035 47.642 -11.437) 49.650 35.656 ( 1.719 30.827 4.070) 31.142 35.719 ( -0.610 29.656 3.651) 29.886 35.845 ( 0.582 36.521 -3.870) 36.730 35.884 ( -0.769 35.871 -3.434) 36.043 42.000 ( 17.053 0.933 5.172) 17.845 42.398 ( 42.056 -2.102 -16.741) 45.314 42.889 ( -16.763 -2.170 19.548) 25.843 43.308 ( 2.500 -3.878 13.323) 14.099 43.342 ( 0.600 -3.958 9.424) 10.239 43.523 ( -4.740 0.377 -8.321) 9.584 43.927 ( 7.598 -4.494 -14.503) 16.978 44.705 ( -16.533 -13.006 -45.251) 49.901 ======================= Grid point 202 (69/105) ======================= q-point: (-0.50 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -15.832 5.699 15.076) 22.592 2.321 ( 15.832 5.699 15.076) 22.592 2.682 ( -16.539 23.354 -1.108) 28.639 2.682 ( 16.539 23.354 -1.108) 28.639 3.060 ( -10.496 15.031 4.597) 18.901 3.060 ( 10.496 15.031 4.597) 18.901 3.255 ( -13.044 33.868 -3.294) 36.442 3.255 ( 13.044 33.868 -3.294) 36.442 3.801 ( -14.428 -4.487 1.642) 15.199 3.801 ( 14.428 -4.487 1.642) 15.199 3.991 ( -12.788 7.961 -3.880) 15.555 3.991 ( 12.788 7.961 -3.880) 15.555 4.341 ( -11.969 8.701 9.584) 17.630 4.341 ( 11.969 8.701 9.584) 17.630 4.723 ( -7.649 8.855 -6.471) 13.371 4.723 ( 7.649 8.855 -6.471) 13.371 5.046 ( -7.209 2.056 1.377) 7.622 5.046 ( 7.209 2.056 1.377) 7.622 5.145 ( -3.738 -3.345 -3.163) 5.930 5.145 ( 3.738 -3.345 -3.163) 5.930 5.814 ( -8.995 5.052 16.050) 19.080 5.814 ( 8.995 5.052 16.050) 19.080 6.279 ( -13.486 1.334 3.800) 14.074 6.279 ( 13.486 1.334 3.800) 14.074 6.865 ( -4.718 0.161 -7.031) 8.469 6.865 ( 4.718 0.161 -7.031) 8.469 7.047 ( -12.281 1.789 -12.021) 17.278 7.047 ( 12.281 1.789 -12.021) 17.278 7.512 ( -9.628 0.177 3.016) 10.091 7.512 ( 9.628 0.177 3.016) 10.091 8.071 ( -11.273 -7.659 -17.375) 22.082 8.071 ( 11.273 -7.659 -17.375) 22.082 9.202 ( -3.933 5.154 4.890) 8.121 9.202 ( 3.933 5.154 4.890) 8.121 9.292 ( -7.072 7.963 -0.682) 10.672 9.292 ( 7.072 7.963 -0.682) 10.672 10.265 ( -19.762 -5.767 6.317) 21.534 10.265 ( 19.762 -5.767 6.317) 21.534 10.383 ( -16.457 -3.149 2.061) 16.882 10.383 ( 16.457 -3.149 2.061) 16.882 11.117 ( -3.121 12.118 2.769) 12.816 11.117 ( 3.121 12.118 2.769) 12.816 11.227 ( -3.447 16.620 -2.425) 17.146 11.227 ( 3.447 16.620 -2.425) 17.146 18.119 ( -2.150 -35.233 1.205) 35.319 18.119 ( 2.150 -35.233 1.205) 35.319 18.176 ( -1.283 -35.534 -1.463) 35.587 18.176 ( 1.283 -35.534 -1.463) 35.587 18.933 ( -1.248 -0.998 2.390) 2.875 18.933 ( 1.248 -0.998 2.390) 2.875 19.030 ( -1.333 1.114 -2.164) 2.775 19.030 ( 1.333 1.114 -2.164) 2.775 20.320 ( -9.996 4.968 13.822) 17.766 20.320 ( 9.996 4.968 13.822) 17.766 20.619 ( -0.669 -5.295 -1.258) 5.484 20.619 ( 0.669 -5.295 -1.258) 5.484 20.731 ( -1.519 -0.723 -0.689) 1.818 20.731 ( 1.519 -0.723 -0.689) 1.818 20.768 ( -1.635 -5.710 -1.576) 6.145 20.768 ( 1.635 -5.710 -1.576) 6.145 21.791 ( -3.122 24.360 6.804) 25.484 21.791 ( 3.122 24.360 6.804) 25.484 22.046 ( -2.348 21.425 -4.808) 22.083 22.046 ( 2.348 21.425 -4.808) 22.083 31.460 ( -0.783 -39.956 2.481) 40.041 31.460 ( 0.783 -39.956 2.481) 40.041 31.563 ( -0.591 -36.754 -2.337) 36.833 31.563 ( 0.591 -36.754 -2.337) 36.833 34.954 ( -1.103 20.919 2.284) 21.073 34.954 ( 1.103 20.919 2.284) 21.073 35.101 ( -5.189 35.068 -5.090) 35.813 35.101 ( 5.189 35.068 -5.090) 35.813 35.694 ( -1.596 30.125 4.056) 30.439 35.694 ( 1.596 30.125 4.056) 30.439 35.863 ( -1.019 36.267 -3.778) 36.477 35.863 ( 1.019 36.267 -3.778) 36.477 42.448 ( -22.022 -1.055 14.601) 26.444 42.448 ( 22.022 -1.055 14.601) 26.444 43.168 ( -20.406 -5.834 -16.084) 26.629 43.168 ( 20.406 -5.834 -16.084) 26.629 43.396 ( -4.077 0.012 8.024) 9.000 43.396 ( 4.077 0.012 8.024) 9.000 44.246 ( -21.823 -9.165 -31.557) 39.448 44.246 ( 21.823 -9.165 -31.557) 39.448 ======================= Grid point 205 (70/105) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 0.000 24.824 15.333) 29.178 2.590 ( 0.000 9.283 17.655) 19.947 2.792 ( 0.000 1.299 3.524) 3.756 2.904 ( 0.000 8.955 -2.644) 9.337 3.297 ( 0.000 3.161 2.530) 4.049 3.333 ( 0.000 5.103 4.518) 6.816 3.374 ( 0.000 5.877 2.621) 6.435 3.584 ( 0.000 32.237 6.903) 32.968 3.806 ( 0.000 -11.948 -9.627) 15.344 3.936 ( 0.000 37.177 -9.027) 38.258 3.938 ( 0.000 -20.549 4.998) 21.148 4.461 ( 0.000 -9.831 -18.116) 20.612 4.466 ( 0.000 14.424 12.273) 18.939 4.908 ( 0.000 28.338 -2.332) 28.434 4.929 ( 0.000 -11.550 2.329) 11.782 5.028 ( 0.000 -8.104 -2.654) 8.527 5.213 ( 0.000 7.708 3.084) 8.302 5.224 ( 0.000 42.403 0.122) 42.403 5.382 ( 0.000 6.591 -4.086) 7.755 5.472 ( 0.000 34.342 -12.380) 36.505 5.625 ( 0.000 -3.377 8.435) 9.086 5.900 ( 0.000 17.834 3.458) 18.166 6.213 ( 0.000 -2.814 12.114) 12.437 6.436 ( 0.000 -0.135 2.951) 2.954 6.484 ( 0.000 -2.692 -6.329) 6.877 6.900 ( 0.000 -6.607 10.246) 12.192 6.976 ( 0.000 6.644 -24.334) 25.225 7.265 ( 0.000 1.071 3.703) 3.855 7.557 ( 0.000 19.246 6.499) 20.314 7.692 ( 0.000 -3.331 -9.408) 9.981 7.964 ( 0.000 8.596 -11.386) 14.266 7.990 ( 0.000 0.244 -12.493) 12.496 9.335 ( 0.000 20.654 4.563) 21.152 9.412 ( 0.000 17.343 1.593) 17.416 9.467 ( 0.000 -1.420 12.278) 12.360 9.791 ( 0.000 -0.762 -2.213) 2.340 9.840 ( 0.000 18.915 2.481) 19.077 9.957 ( 0.000 19.545 -2.947) 19.766 10.595 ( 0.000 -9.480 7.949) 12.372 10.728 ( 0.000 -8.815 1.686) 8.975 11.263 ( 0.000 18.936 2.031) 19.044 11.313 ( 0.000 20.142 -0.104) 20.143 11.553 ( 0.000 21.528 3.840) 21.867 11.729 ( 0.000 29.077 -4.214) 29.380 17.278 ( 0.000 -43.460 0.823) 43.468 17.320 ( 0.000 -44.168 -0.679) 44.173 17.408 ( 0.000 -42.654 0.335) 42.655 17.465 ( 0.000 -40.019 -2.270) 40.083 18.851 ( 0.000 -4.581 3.267) 5.627 18.915 ( 0.000 -5.044 3.192) 5.969 18.976 ( 0.000 -4.539 -2.573) 5.217 19.050 ( 0.000 -3.949 -2.919) 4.910 20.169 ( 0.000 -1.899 18.927) 19.022 20.243 ( 0.000 -24.191 1.584) 24.243 20.288 ( 0.000 -21.459 0.420) 21.463 20.347 ( 0.000 -23.271 -0.472) 23.276 20.384 ( 0.000 -21.199 -1.468) 21.250 20.554 ( 0.000 -14.933 14.653) 20.921 20.797 ( 0.000 0.130 -10.404) 10.404 20.940 ( 0.000 -3.198 -5.296) 6.187 22.415 ( 0.000 43.589 5.179) 43.895 22.622 ( 0.000 43.966 -3.552) 44.109 22.745 ( 0.000 45.645 0.369) 45.646 22.803 ( 0.000 43.458 -1.644) 43.489 30.506 ( 0.000 -51.934 3.326) 52.041 30.568 ( 0.000 -51.475 2.631) 51.542 30.653 ( 0.000 -51.611 -3.014) 51.699 30.699 ( 0.000 -51.038 -2.905) 51.121 35.417 ( 0.000 30.664 4.756) 31.030 35.600 ( 0.000 37.671 8.827) 38.692 35.675 ( 0.000 39.047 -3.044) 39.166 36.335 ( 0.000 38.038 6.808) 38.643 36.403 ( 0.000 36.922 5.963) 37.401 36.564 ( 0.000 59.270 -39.081) 70.995 36.635 ( 0.000 42.152 -6.253) 42.613 36.674 ( 0.000 41.704 -5.858) 42.113 41.849 ( 0.000 4.068 0.994) 4.188 41.899 ( 0.000 4.544 -1.437) 4.766 43.039 ( 0.000 -8.320 30.077) 31.206 43.147 ( 0.000 -2.570 4.258) 4.973 43.236 ( 0.000 -5.231 3.241) 6.153 43.545 ( 0.000 -2.882 -4.956) 5.732 43.763 ( 0.000 -5.978 -9.258) 11.021 44.526 ( 0.000 -22.136 -40.403) 46.070 ======================= Grid point 206 (71/105) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -0.244 15.893 16.091) 22.618 2.634 ( -2.878 8.073 7.363) 11.299 2.888 ( -6.204 6.094 4.135) 9.630 2.920 ( 12.920 4.182 12.257) 18.293 3.120 ( -5.775 4.942 -6.769) 10.178 3.313 ( 5.763 7.339 -2.314) 9.614 3.585 ( 8.764 8.873 6.738) 14.176 3.659 ( -6.630 -4.411 1.306) 8.070 3.828 ( 6.313 6.471 -1.084) 9.105 3.839 ( -4.601 -1.507 5.496) 7.324 4.093 ( 11.549 28.056 -10.920) 32.246 4.384 ( -4.946 6.722 -0.244) 8.349 4.506 ( 4.507 9.241 -5.141) 11.495 4.809 ( -6.940 9.851 0.937) 12.087 4.948 ( 0.594 3.134 2.430) 4.010 5.023 ( -2.958 -3.304 -2.979) 5.343 5.081 ( -3.703 18.643 -2.061) 19.119 5.150 ( -5.858 14.415 -3.374) 15.922 5.310 ( -7.254 17.139 -1.105) 18.643 5.385 ( -8.314 25.381 -7.003) 27.610 5.856 ( 11.714 14.568 10.721) 21.550 5.917 ( 9.752 0.718 9.414) 13.574 6.231 ( -5.730 12.702 11.312) 17.948 6.439 ( 3.530 -1.491 4.451) 5.873 6.614 ( 11.554 -3.231 -5.452) 13.178 6.899 ( -4.023 7.795 -16.749) 18.907 7.045 ( 7.167 -11.175 -0.969) 13.311 7.171 ( -7.645 2.082 -5.724) 9.774 7.543 ( -2.326 13.343 5.763) 14.719 7.671 ( -2.136 0.015 -5.447) 5.851 7.894 ( 0.224 9.859 -10.586) 14.468 8.042 ( -0.031 -1.814 -13.314) 13.437 9.349 ( 1.340 16.389 4.926) 17.166 9.360 ( -1.455 11.751 7.096) 13.804 9.501 ( -0.045 11.767 4.195) 12.492 9.697 ( -8.132 10.157 -2.466) 13.243 9.937 ( 9.331 11.910 4.329) 15.737 10.069 ( 9.644 6.761 -0.405) 11.784 10.472 ( -10.450 -5.604 6.967) 13.753 10.580 ( -10.870 -6.068 2.669) 12.731 11.338 ( 5.385 18.819 2.503) 19.733 11.412 ( 6.357 23.232 0.275) 24.087 11.562 ( 0.770 18.636 0.885) 18.673 11.703 ( -2.404 27.985 -4.312) 28.417 17.295 ( 1.428 -43.477 1.034) 43.513 17.331 ( 0.794 -43.678 0.091) 43.686 17.399 ( -0.576 -42.581 -0.606) 42.590 17.447 ( -1.570 -40.377 -2.365) 40.477 18.863 ( 0.984 -4.671 3.262) 5.782 18.908 ( -0.664 -4.983 3.232) 5.976 18.989 ( 1.063 -4.533 -2.664) 5.364 19.041 ( -0.820 -4.098 -2.887) 5.080 20.188 ( 1.771 -5.300 16.337) 17.266 20.251 ( 0.433 -22.304 2.902) 22.496 20.291 ( 0.302 -21.290 1.008) 21.316 20.344 ( -0.701 -20.589 0.556) 20.608 20.375 ( -0.110 -21.108 0.032) 21.108 20.500 ( -4.434 -14.729 13.895) 20.729 20.810 ( 1.343 0.222 -9.937) 10.030 20.912 ( -2.303 -2.346 -6.152) 6.975 22.435 ( 2.014 44.420 5.278) 44.777 22.618 ( -2.154 46.435 0.376) 46.487 22.684 ( -2.858 43.788 -1.841) 43.920 22.766 ( -2.819 43.769 -2.303) 43.921 30.517 ( 0.969 -51.916 3.277) 52.028 30.562 ( -0.622 -51.565 2.869) 51.648 30.659 ( 0.551 -51.591 -3.129) 51.688 30.692 ( -0.615 -51.165 -2.964) 51.254 35.439 ( 1.962 31.422 5.477) 31.956 35.573 ( -2.803 36.082 10.415) 37.660 35.731 ( 5.999 41.638 -7.862) 42.796 36.287 ( -12.861 50.377 -15.192) 54.167 36.371 ( -1.813 39.514 0.393) 39.557 36.413 ( -2.477 40.530 0.028) 40.606 36.641 ( 0.400 42.113 -6.386) 42.596 36.668 ( -0.549 41.772 -5.963) 42.199 42.033 ( 14.927 2.642 4.867) 15.922 42.355 ( 34.732 -1.925 -11.701) 36.701 42.824 ( -14.484 -4.475 19.222) 24.481 43.195 ( -0.998 -6.919 5.028) 8.611 43.275 ( 3.834 -3.323 7.730) 9.246 43.502 ( -4.172 -2.677 -4.737) 6.856 43.807 ( 4.683 -7.565 -11.780) 14.763 44.369 ( -13.867 -20.344 -37.560) 44.911 ======================= Grid point 207 (72/105) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -10.350 7.878 14.780) 19.688 2.450 ( 10.350 7.878 14.780) 19.688 2.904 ( -7.241 5.233 -6.855) 11.260 2.904 ( 7.241 5.233 -6.855) 11.260 3.313 ( -17.872 3.608 11.461) 21.535 3.313 ( 17.872 3.608 11.461) 21.535 3.569 ( -13.549 -2.158 -2.863) 14.015 3.569 ( 13.549 -2.158 -2.863) 14.015 3.858 ( -8.969 6.848 3.786) 11.903 3.858 ( 8.969 6.848 3.786) 11.903 4.321 ( -5.510 15.503 -13.380) 21.207 4.321 ( 5.510 15.503 -13.380) 21.207 4.651 ( -7.774 20.842 6.515) 23.179 4.651 ( 7.774 20.842 6.515) 23.179 4.918 ( -3.041 8.551 -4.646) 10.196 4.918 ( 3.041 8.551 -4.646) 10.196 5.084 ( -7.943 4.906 2.289) 9.612 5.084 ( 7.943 4.906 2.289) 9.612 5.233 ( -5.989 15.419 -3.949) 17.006 5.233 ( 5.989 15.419 -3.949) 17.006 6.017 ( -6.709 15.254 14.450) 22.056 6.017 ( 6.709 15.254 14.450) 22.056 6.317 ( -13.688 3.929 5.507) 15.269 6.317 ( 13.688 3.929 5.507) 15.269 6.876 ( -7.676 0.204 -5.753) 9.594 6.876 ( 7.676 0.204 -5.753) 9.594 7.039 ( -4.104 -2.717 -12.987) 13.889 7.039 ( 4.104 -2.717 -12.987) 13.889 7.577 ( -5.509 7.659 2.100) 9.665 7.577 ( 5.509 7.659 2.100) 9.665 7.978 ( -5.139 0.242 -12.736) 13.736 7.978 ( 5.139 0.242 -12.736) 13.736 9.365 ( -0.855 10.981 8.300) 13.791 9.365 ( 0.855 10.981 8.300) 13.791 9.528 ( -5.093 16.817 -1.201) 17.612 9.528 ( 5.093 16.817 -1.201) 17.612 10.200 ( -13.502 2.279 5.716) 14.838 10.200 ( 13.502 2.279 5.716) 14.838 10.321 ( -12.547 -1.342 1.637) 12.724 10.321 ( 12.547 -1.342 1.637) 12.724 11.447 ( -3.402 20.987 3.729) 21.586 11.447 ( 3.402 20.987 3.729) 21.586 11.625 ( -4.570 23.346 -4.775) 24.263 11.625 ( 4.570 23.346 -4.775) 24.263 17.329 ( -1.267 -43.477 1.542) 43.523 17.329 ( 1.267 -43.477 1.542) 43.523 17.408 ( -1.603 -41.489 -2.493) 41.595 17.408 ( 1.603 -41.489 -2.493) 41.595 18.888 ( -1.173 -4.850 3.254) 5.957 18.888 ( 1.173 -4.850 3.254) 5.957 19.017 ( -1.345 -4.380 -2.795) 5.367 19.017 ( 1.345 -4.380 -2.795) 5.367 20.237 ( -2.063 -15.877 7.989) 17.893 20.237 ( 2.063 -15.877 7.989) 17.893 20.309 ( -1.629 -17.551 3.396) 17.950 20.309 ( 1.629 -17.551 3.396) 17.950 20.408 ( -3.133 -18.180 6.439) 19.540 20.408 ( 3.133 -18.180 6.439) 19.540 20.855 ( -2.635 -0.774 -8.151) 8.601 20.855 ( 2.635 -0.774 -8.151) 8.601 22.510 ( -5.009 46.475 5.035) 47.015 22.510 ( 5.009 46.475 5.035) 47.015 22.702 ( -2.653 43.394 -3.828) 43.644 22.702 ( 2.653 43.394 -3.828) 43.644 30.542 ( -1.164 -51.778 3.142) 51.886 30.542 ( 1.164 -51.778 3.142) 51.886 30.675 ( -0.857 -51.423 -3.106) 51.523 30.675 ( 0.857 -51.423 -3.106) 51.523 35.499 ( -3.450 33.489 7.668) 34.528 35.499 ( 3.450 33.489 7.668) 34.528 35.945 ( -13.814 47.816 -13.824) 51.655 35.945 ( 13.814 47.816 -13.824) 51.655 36.386 ( -1.197 37.453 6.049) 37.957 36.386 ( 1.197 37.453 6.049) 37.957 36.653 ( -0.728 41.928 -6.226) 42.394 36.653 ( 0.728 41.928 -6.226) 42.394 42.424 ( -19.162 -1.132 13.508) 23.472 42.424 ( 19.162 -1.132 13.508) 23.472 43.031 ( -18.481 -7.830 -10.893) 22.837 43.031 ( 18.481 -7.830 -10.893) 22.837 43.374 ( -6.025 -2.364 2.772) 7.040 43.374 ( 6.025 -2.364 2.772) 7.040 44.014 ( -15.188 -13.736 -24.209) 31.709 44.014 ( 15.188 -13.736 -24.209) 31.709 ======================= Grid point 210 (73/105) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 0.000 6.813 14.800) 16.293 2.809 ( 0.000 8.449 10.115) 13.180 2.883 ( 0.000 14.751 8.302) 16.926 2.986 ( 0.000 2.508 -1.996) 3.205 3.301 ( 0.000 -0.908 2.359) 2.528 3.382 ( 0.000 -4.803 -1.716) 5.101 3.426 ( 0.000 0.778 1.990) 2.137 3.543 ( 0.000 -9.039 0.308) 9.044 3.674 ( 0.000 -4.092 -2.972) 5.057 4.089 ( 0.000 16.840 -0.791) 16.858 4.255 ( 0.000 -10.916 -19.588) 22.424 4.331 ( 0.000 8.895 -8.248) 12.131 4.685 ( 0.000 -12.019 4.511) 12.838 4.787 ( 0.000 12.122 11.173) 16.486 4.907 ( 0.000 -3.876 -6.110) 7.235 5.281 ( 0.000 12.071 -1.748) 12.197 5.361 ( 0.000 4.771 1.311) 4.948 5.429 ( 0.000 -7.480 4.520) 8.740 5.502 ( 0.000 6.118 -3.098) 6.857 5.717 ( 0.000 4.238 -9.991) 10.853 6.158 ( 0.000 -2.400 13.389) 13.602 6.171 ( 0.000 22.876 -6.099) 23.675 6.277 ( 0.000 15.453 -9.242) 18.006 6.499 ( 0.000 6.584 -1.276) 6.707 6.628 ( 0.000 19.053 10.596) 21.801 6.780 ( 0.000 -4.984 13.243) 14.149 7.147 ( 0.000 12.076 -12.675) 17.506 7.280 ( 0.000 0.709 2.816) 2.904 7.662 ( 0.000 0.187 -8.340) 8.342 7.945 ( 0.000 17.704 2.587) 17.892 8.000 ( 0.000 0.756 -12.215) 12.239 8.194 ( 0.000 12.756 -7.671) 14.884 9.438 ( 0.000 -1.579 12.493) 12.593 9.644 ( 0.000 2.364 12.564) 12.784 9.758 ( 0.000 -2.463 -1.794) 3.048 9.840 ( 0.000 13.951 0.996) 13.986 10.443 ( 0.000 45.975 1.545) 46.001 10.494 ( 0.000 41.619 -0.481) 41.621 10.753 ( 0.000 30.962 0.984) 30.978 10.795 ( 0.000 28.340 -0.536) 28.345 11.666 ( 0.000 22.637 0.743) 22.649 11.694 ( 0.000 20.200 -0.321) 20.202 12.073 ( 0.000 29.975 6.460) 30.663 12.339 ( 0.000 32.242 -6.143) 32.822 16.415 ( 0.000 -44.108 1.131) 44.123 16.474 ( 0.000 -42.524 -1.389) 42.547 16.598 ( 0.000 -39.711 1.523) 39.740 16.701 ( 0.000 -38.172 -3.200) 38.306 18.610 ( 0.000 -24.203 2.148) 24.298 18.677 ( 0.000 -22.856 3.116) 23.068 18.689 ( 0.000 -27.777 -1.472) 27.816 18.790 ( 0.000 -26.293 -2.113) 26.378 19.803 ( 0.000 -17.272 4.129) 17.759 19.862 ( 0.000 -19.463 4.229) 19.917 19.989 ( 0.000 -9.350 -4.335) 10.306 20.048 ( 0.000 -10.151 -4.232) 10.998 20.092 ( 0.000 -5.337 18.271) 19.035 20.261 ( 0.000 -13.625 17.843) 22.450 20.734 ( 0.000 -5.814 -12.022) 13.354 20.808 ( 0.000 -8.800 -9.219) 12.745 23.357 ( 0.000 51.707 4.627) 51.914 23.549 ( 0.000 50.013 -4.251) 50.193 23.695 ( 0.000 50.589 0.800) 50.595 23.725 ( 0.000 49.683 -0.511) 49.686 29.477 ( 0.000 -53.166 3.170) 53.261 29.544 ( 0.000 -53.122 2.475) 53.180 29.615 ( 0.000 -54.323 -2.632) 54.387 29.672 ( 0.000 -53.745 -2.926) 53.825 36.063 ( 0.000 34.504 8.139) 35.451 36.346 ( 0.000 37.354 17.449) 41.229 36.460 ( 0.000 40.171 -9.260) 41.225 37.015 ( 0.000 30.467 8.443) 31.615 37.072 ( 0.000 30.576 7.853) 31.568 37.385 ( 0.000 33.637 -7.898) 34.552 37.437 ( 0.000 35.725 -8.455) 36.712 37.534 ( 0.000 39.877 -41.121) 57.281 41.964 ( 0.000 7.865 1.663) 8.039 42.016 ( 0.000 7.618 -1.153) 7.705 42.880 ( 0.000 -7.386 24.516) 25.604 43.055 ( 0.000 -6.401 4.751) 7.971 43.157 ( 0.000 -3.375 -1.819) 3.834 43.456 ( 0.000 -6.267 -2.192) 6.639 43.629 ( 0.000 -7.694 -7.167) 10.515 44.078 ( 0.000 -22.732 -31.801) 39.090 ======================= Grid point 211 (74/105) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -3.745 11.307 12.024) 16.925 2.795 ( -5.924 8.923 9.386) 14.242 2.954 ( -0.557 1.836 5.936) 6.239 3.018 ( 3.420 6.157 5.112) 8.703 3.213 ( -0.068 3.430 -2.898) 4.490 3.336 ( -1.343 -0.617 -2.140) 2.601 3.448 ( -3.123 -11.009 2.456) 11.704 3.612 ( 1.223 -3.980 -5.156) 6.627 3.664 ( 5.359 -1.679 5.950) 8.182 4.120 ( -3.256 7.734 -0.364) 8.399 4.304 ( 3.916 -8.167 -17.907) 20.067 4.401 ( 6.055 6.503 -7.410) 11.570 4.661 ( 4.642 -0.452 0.720) 4.719 4.869 ( -1.740 -1.771 -7.201) 7.617 4.967 ( 7.332 4.349 7.795) 11.551 5.097 ( -5.635 5.484 4.856) 9.241 5.265 ( -9.640 2.701 -2.654) 10.357 5.415 ( 3.681 13.837 -2.188) 14.485 5.636 ( 0.331 4.443 -0.576) 4.493 5.730 ( -11.203 9.187 -1.169) 14.535 5.979 ( 8.399 5.889 6.385) 12.083 6.268 ( 5.697 11.980 -1.160) 13.316 6.466 ( -3.982 11.295 9.075) 15.026 6.528 ( 4.659 11.222 0.696) 12.170 6.602 ( 8.803 5.565 -1.413) 10.510 6.843 ( 2.167 -7.830 4.903) 9.489 7.059 ( -5.907 8.023 -10.398) 14.401 7.209 ( -6.883 2.551 -3.742) 8.240 7.715 ( 4.131 4.805 -4.249) 7.629 7.865 ( -4.187 14.984 1.448) 15.625 8.031 ( 1.127 5.479 -9.600) 11.110 8.164 ( -2.969 11.455 -8.441) 14.536 9.451 ( 1.475 -0.089 12.836) 12.921 9.604 ( -3.573 1.919 12.672) 13.305 9.773 ( 1.251 -0.913 -1.752) 2.338 9.838 ( -0.514 9.863 -0.071) 9.877 10.471 ( 2.995 44.573 1.413) 44.695 10.498 ( 1.026 41.942 0.498) 41.958 10.676 ( -5.766 31.120 2.132) 31.721 10.721 ( -5.789 32.923 -0.223) 33.429 11.749 ( 6.571 23.291 1.891) 24.274 11.846 ( 11.718 21.882 -2.606) 24.958 12.031 ( -3.881 28.349 5.735) 29.183 12.281 ( -5.452 30.308 -6.045) 31.382 16.440 ( 2.152 -43.300 1.468) 43.378 16.500 ( 1.821 -41.555 -0.398) 41.597 16.581 ( -1.113 -40.553 0.220) 40.569 16.672 ( -2.527 -38.843 -3.210) 39.057 18.621 ( 0.978 -24.081 2.278) 24.208 18.669 ( -0.743 -23.343 3.022) 23.549 18.705 ( 1.391 -27.277 -1.655) 27.362 18.776 ( -1.196 -26.446 -2.047) 26.552 19.811 ( 0.734 -17.463 4.231) 17.983 19.853 ( -0.767 -19.045 4.326) 19.545 19.996 ( 0.659 -9.265 -4.139) 10.169 20.037 ( -0.868 -9.767 -3.539) 10.424 20.114 ( 1.889 -6.667 17.423) 18.750 20.232 ( -2.488 -12.249 17.779) 21.733 20.742 ( 0.744 -6.130 -11.689) 13.219 20.794 ( -1.151 -8.248 -9.703) 12.787 23.388 ( 2.985 52.030 4.484) 52.308 23.569 ( 1.763 50.279 -3.790) 50.453 23.625 ( -5.735 51.223 1.808) 51.574 23.693 ( -2.671 49.912 -1.269) 50.000 29.488 ( 0.958 -53.209 3.126) 53.309 29.536 ( -0.716 -53.177 2.747) 53.252 29.622 ( 0.635 -54.254 -2.846) 54.333 29.663 ( -0.798 -53.839 -2.938) 53.925 36.096 ( 2.984 34.863 9.196) 36.179 36.296 ( -4.350 36.724 16.254) 40.395 36.552 ( 8.752 41.079 -12.111) 43.713 37.029 ( 1.200 30.560 8.365) 31.706 37.060 ( -1.530 30.914 6.839) 31.698 37.286 ( -18.159 41.137 -30.062) 54.090 37.395 ( 0.215 34.138 -8.609) 35.207 37.430 ( -0.717 35.454 -8.465) 36.457 42.111 ( 11.662 5.590 4.444) 13.675 42.341 ( 25.660 0.898 -6.876) 26.580 42.731 ( -11.145 -4.430 17.546) 21.253 43.055 ( -1.971 -7.375 2.947) 8.183 43.207 ( 3.779 -3.820 2.096) 5.768 43.418 ( -3.683 -5.930 -2.309) 7.353 43.644 ( 1.860 -9.001 -8.993) 12.858 43.963 ( -9.779 -20.348 -28.564) 36.408 ======================= Grid point 212 (75/105) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -6.489 10.296 12.611) 17.525 2.629 ( 6.489 10.296 12.611) 17.525 2.983 ( -4.557 2.921 -2.890) 6.137 2.983 ( 4.557 2.921 -2.890) 6.137 3.293 ( -6.138 -1.579 6.384) 8.996 3.293 ( 6.138 -1.579 6.384) 8.996 3.487 ( -7.646 -4.334 -3.019) 9.293 3.487 ( 7.647 -4.334 -3.019) 9.293 3.917 ( -12.620 0.438 3.164) 13.018 3.917 ( 12.620 0.438 3.164) 13.018 4.420 ( -5.099 -2.442 -15.605) 16.597 4.420 ( 5.099 -2.442 -15.605) 16.597 4.836 ( -9.057 2.040 0.963) 9.334 4.836 ( 9.057 2.040 0.963) 9.334 4.986 ( -10.960 2.178 -4.397) 12.008 4.986 ( 10.960 2.178 -4.397) 12.008 5.365 ( -16.664 11.204 7.588) 21.466 5.365 ( 16.664 11.204 7.588) 21.466 5.544 ( -7.279 13.981 -0.899) 15.789 5.544 ( 7.279 13.981 -0.899) 15.789 6.250 ( -12.011 6.956 8.680) 16.371 6.250 ( 12.011 6.956 8.680) 16.371 6.479 ( -10.242 8.668 2.103) 13.581 6.479 ( 10.242 8.668 2.103) 13.581 6.828 ( -6.416 -3.318 -3.072) 7.849 6.828 ( 6.416 -3.318 -3.072) 7.849 7.029 ( -6.353 2.632 -9.144) 11.442 7.029 ( 6.353 2.632 -9.144) 11.442 7.796 ( -2.925 12.605 1.049) 12.983 7.796 ( 2.925 12.605 1.049) 12.983 8.078 ( -3.863 8.326 -9.538) 13.237 8.078 ( 3.863 8.326 -9.538) 13.237 9.512 ( -4.079 1.294 13.129) 13.809 9.512 ( 4.079 1.294 13.129) 13.809 9.810 ( -1.885 4.206 -1.529) 4.856 9.810 ( 1.885 4.206 -1.529) 4.856 10.556 ( -4.097 38.294 2.015) 38.566 10.556 ( 4.097 38.294 2.015) 38.566 10.581 ( -5.912 37.898 0.733) 38.364 10.581 ( 5.912 37.898 0.733) 38.364 11.906 ( -7.080 25.856 4.127) 27.123 11.906 ( 7.080 25.856 4.127) 27.123 12.105 ( -10.588 25.556 -5.252) 28.157 12.105 ( 10.588 25.556 -5.252) 28.157 16.494 ( -2.395 -41.444 2.242) 41.574 16.494 ( 2.395 -41.444 2.242) 41.574 16.604 ( -3.172 -40.550 -3.195) 40.799 16.604 ( 3.172 -40.550 -3.195) 40.799 18.647 ( -1.217 -23.766 2.626) 23.942 18.647 ( 1.217 -23.766 2.626) 23.942 18.742 ( -1.830 -26.816 -1.868) 26.943 18.742 ( 1.830 -26.816 -1.868) 26.943 19.832 ( -1.087 -18.131 4.370) 18.682 19.832 ( 1.087 -18.131 4.370) 18.682 20.015 ( -1.013 -9.417 -3.776) 10.197 20.015 ( 1.013 -9.417 -3.776) 10.197 20.168 ( -3.008 -9.301 17.535) 20.076 20.168 ( 3.008 -9.301 17.535) 20.076 20.765 ( -1.348 -7.073 -10.770) 12.956 20.765 ( 1.348 -7.073 -10.770) 12.956 23.486 ( -5.944 52.384 3.677) 52.848 23.486 ( 5.944 52.384 3.677) 52.848 23.626 ( -3.139 50.028 -2.792) 50.204 23.626 ( 3.139 50.028 -2.792) 50.204 29.514 ( -1.242 -53.246 3.006) 53.345 29.514 ( 1.242 -53.246 3.006) 53.345 29.641 ( -1.066 -54.054 -2.959) 54.145 29.641 ( 1.066 -54.054 -2.959) 54.145 36.186 ( -5.097 35.755 12.264) 38.142 36.186 ( 5.097 35.755 12.264) 38.142 36.836 ( -16.859 41.737 -17.696) 48.367 36.836 ( 16.859 41.737 -17.696) 48.367 37.063 ( -2.076 31.191 6.921) 32.017 37.063 ( 2.076 31.191 6.921) 32.017 37.410 ( -0.949 34.734 -8.368) 35.741 37.410 ( 0.949 34.734 -8.368) 35.741 42.416 ( -14.930 0.665 11.658) 18.954 42.416 ( 14.930 0.665 11.658) 18.954 42.880 ( -16.781 -7.277 -7.693) 19.843 42.880 ( 16.781 -7.277 -7.693) 19.843 43.305 ( -5.577 -4.614 0.733) 7.275 43.305 ( 5.577 -4.614 0.733) 7.275 43.743 ( -8.076 -13.668 -17.076) 23.316 43.743 ( 8.076 -13.668 -17.076) 23.316 ======================= Grid point 215 (76/105) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 0.000 7.900 10.337) 13.010 2.928 ( 0.000 6.860 11.386) 13.292 3.035 ( 0.000 2.819 -0.164) 2.823 3.095 ( 0.000 1.866 4.309) 4.696 3.241 ( 0.000 -0.012 6.344) 6.344 3.282 ( 0.000 -0.805 0.297) 0.858 3.437 ( 0.000 1.052 1.366) 1.724 3.533 ( 0.000 4.160 -11.099) 11.853 3.715 ( 0.000 3.739 -3.363) 5.029 4.047 ( 0.000 -9.822 -18.080) 20.576 4.249 ( 0.000 -0.021 -2.267) 2.267 4.437 ( 0.000 2.740 -5.254) 5.926 4.515 ( 0.000 -4.161 8.211) 9.205 4.857 ( 0.000 -2.851 4.708) 5.504 4.877 ( 0.000 0.293 -8.402) 8.408 5.254 ( 0.000 -7.025 -3.898) 8.034 5.389 ( 0.000 -0.169 2.281) 2.288 5.471 ( 0.000 3.562 3.895) 5.279 5.602 ( 0.000 3.112 -6.862) 7.535 5.663 ( 0.000 -4.947 -9.520) 10.729 6.151 ( 0.000 2.184 15.288) 15.443 6.284 ( 0.000 -1.854 -0.885) 2.054 6.489 ( 0.000 3.865 -10.472) 11.163 6.541 ( 0.000 -4.607 -1.410) 4.818 6.843 ( 0.000 12.892 10.267) 16.481 7.014 ( 0.000 16.302 12.053) 20.274 7.300 ( 0.000 1.441 3.645) 3.919 7.376 ( 0.000 8.996 -5.068) 10.326 7.700 ( 0.000 3.791 -7.903) 8.765 8.020 ( 0.000 1.382 -11.631) 11.713 8.172 ( 0.000 5.041 0.818) 5.107 8.374 ( 0.000 4.537 -6.816) 8.187 9.408 ( 0.000 -1.512 12.286) 12.378 9.522 ( 0.000 -9.104 13.060) 15.920 9.701 ( 0.000 -3.316 -0.891) 3.434 9.794 ( 0.000 -9.789 -0.719) 9.815 11.598 ( 0.000 67.488 1.734) 67.511 11.625 ( 0.000 66.373 0.099) 66.373 11.736 ( 0.000 62.387 -0.388) 62.388 11.744 ( 0.000 63.189 -0.695) 63.193 12.115 ( 0.000 23.416 0.646) 23.425 12.142 ( 0.000 25.821 -0.795) 25.834 12.666 ( 0.000 30.317 6.792) 31.069 12.944 ( 0.000 29.388 -6.456) 30.089 15.620 ( 0.000 -35.957 1.457) 35.987 15.700 ( 0.000 -35.602 -2.265) 35.674 15.896 ( 0.000 -31.862 2.478) 31.958 16.011 ( 0.000 -31.813 -3.036) 31.957 17.875 ( 0.000 -49.098 1.151) 49.111 17.899 ( 0.000 -50.669 0.596) 50.672 17.968 ( 0.000 -49.363 0.043) 49.363 18.009 ( 0.000 -51.693 -1.319) 51.710 19.633 ( 0.000 -1.840 7.781) 7.996 19.650 ( 0.000 -3.172 8.755) 9.312 19.957 ( 0.000 3.925 -7.340) 8.324 19.979 ( 0.000 -6.034 16.661) 17.720 20.002 ( 0.000 3.462 -7.597) 8.348 20.038 ( 0.000 -9.561 17.110) 19.600 20.594 ( 0.000 -8.173 -12.195) 14.680 20.630 ( 0.000 -9.236 -11.239) 14.547 24.384 ( 0.000 53.535 3.746) 53.666 24.535 ( 0.000 51.120 -3.207) 51.220 24.679 ( 0.000 50.402 0.582) 50.406 24.698 ( 0.000 50.130 -0.225) 50.131 28.456 ( 0.000 -51.942 2.674) 52.010 28.525 ( 0.000 -51.648 2.369) 51.703 28.564 ( 0.000 -53.605 -2.204) 53.650 28.634 ( 0.000 -52.916 -2.568) 52.979 36.711 ( 0.000 31.171 10.282) 32.823 37.004 ( 0.000 29.727 19.826) 35.732 37.183 ( 0.000 33.334 -11.619) 35.301 37.480 ( 0.000 16.997 9.816) 19.628 37.555 ( 0.000 18.669 9.799) 21.084 37.905 ( 0.000 19.319 -9.164) 21.382 38.028 ( 0.000 24.555 -11.475) 27.104 38.129 ( 0.000 22.276 -34.351) 40.942 42.157 ( 0.000 11.922 1.853) 12.065 42.192 ( 0.000 10.318 -0.376) 10.325 42.777 ( 0.000 -2.649 18.342) 18.532 42.919 ( 0.000 -7.450 4.300) 8.602 43.077 ( 0.000 -5.343 -4.374) 6.905 43.306 ( 0.000 -9.022 0.583) 9.041 43.475 ( 0.000 -7.709 -5.892) 9.702 43.683 ( 0.000 -17.244 -23.728) 29.332 ======================= Grid point 216 (77/105) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -2.362 10.095 9.086) 13.785 2.931 ( -3.640 4.360 10.900) 12.291 3.001 ( -1.413 3.124 0.685) 3.497 3.096 ( -0.569 0.905 9.155) 9.217 3.235 ( 0.584 2.774 3.174) 4.256 3.336 ( 2.882 -0.923 -4.789) 5.665 3.385 ( -2.728 3.382 -0.289) 4.355 3.589 ( -4.696 2.239 -6.654) 8.447 3.676 ( 7.763 2.574 -0.787) 8.217 4.114 ( 2.929 -8.700 -12.033) 15.135 4.202 ( -4.759 1.429 -5.654) 7.528 4.409 ( 0.833 -4.345 -6.025) 7.475 4.664 ( 9.186 1.365 -0.263) 9.291 4.851 ( 0.116 -0.814 -7.421) 7.467 4.956 ( 2.226 -4.573 2.986) 5.897 5.129 ( -2.468 -2.224 2.660) 4.256 5.277 ( -5.334 -0.536 0.903) 5.437 5.591 ( 4.788 3.270 -4.744) 7.492 5.702 ( 5.695 4.265 0.554) 7.137 5.787 ( -2.797 -2.469 -2.017) 4.241 5.985 ( 5.208 -0.853 7.531) 9.196 6.310 ( 1.348 -3.249 -2.905) 4.562 6.623 ( 8.427 -2.507 2.822) 9.234 6.672 ( -1.806 7.146 1.468) 7.516 6.703 ( -2.796 5.708 0.793) 6.406 6.894 ( -6.182 9.939 8.513) 14.474 7.190 ( -13.094 4.948 -5.209) 14.936 7.282 ( -4.708 4.522 -1.597) 6.720 7.828 ( 8.694 6.135 -2.098) 10.845 8.002 ( -0.462 2.089 -5.636) 6.029 8.191 ( 1.331 6.762 -3.082) 7.550 8.343 ( -3.313 6.482 -7.467) 10.429 9.419 ( 1.148 -2.473 12.300) 12.598 9.503 ( -1.681 -7.698 12.841) 15.066 9.710 ( 0.839 -4.658 -0.917) 4.821 9.775 ( -1.512 -9.273 -0.662) 9.419 11.596 ( 0.241 65.404 1.714) 65.427 11.623 ( 0.287 66.525 0.142) 66.526 11.695 ( -3.333 60.790 -0.050) 60.881 11.701 ( -2.538 65.935 -0.166) 65.984 12.236 ( 8.699 26.779 1.057) 28.177 12.297 ( 12.894 25.170 -1.597) 28.325 12.604 ( -5.525 29.957 5.848) 31.018 12.852 ( -8.250 28.147 -5.919) 29.922 15.663 ( 3.672 -35.076 1.679) 35.308 15.744 ( 3.659 -34.806 -1.795) 35.044 15.862 ( -2.774 -32.507 1.746) 32.671 15.969 ( -3.649 -32.358 -3.051) 32.706 17.887 ( 0.927 -49.321 1.295) 49.347 17.907 ( 0.560 -50.768 1.060) 50.783 17.965 ( -0.128 -49.387 -0.567) 49.391 17.998 ( -0.942 -51.363 -1.375) 51.390 19.636 ( 0.244 -2.043 7.931) 8.193 19.648 ( -0.194 -2.989 8.618) 9.124 19.962 ( 0.438 3.526 -6.552) 7.453 19.980 ( -0.034 -3.491 9.825) 10.427 20.001 ( 0.056 0.546 -0.570) 0.792 20.029 ( -0.754 -8.557 16.144) 18.288 20.598 ( 0.367 -8.267 -12.087) 14.649 20.623 ( -0.533 -9.021 -11.411) 14.556 24.417 ( 3.030 53.386 3.510) 53.587 24.554 ( 1.638 50.903 -2.663) 50.999 24.627 ( -4.361 51.470 1.047) 51.665 24.670 ( -2.332 50.316 -0.770) 50.376 28.466 ( 0.893 -51.972 2.642) 52.047 28.515 ( -0.873 -51.827 2.481) 51.893 28.573 ( 0.844 -53.416 -2.325) 53.473 28.623 ( -0.933 -52.991 -2.528) 53.059 36.745 ( 3.141 31.020 11.340) 33.177 36.951 ( -4.460 29.969 18.042) 35.264 37.273 ( 8.107 32.090 -12.849) 35.505 37.493 ( 0.889 16.969 9.171) 19.309 37.552 ( -0.172 19.336 9.349) 21.478 37.914 ( -3.116 21.771 -14.388) 26.281 37.949 ( -10.227 24.276 -22.993) 34.966 38.011 ( -1.708 23.895 -11.392) 26.527 42.255 ( 7.785 9.260 3.792) 12.679 42.397 ( 16.780 4.751 -3.382) 17.765 42.675 ( -7.996 -0.882 14.080) 16.216 42.913 ( -1.986 -7.069 2.114) 7.641 43.118 ( 3.163 -5.645 -1.290) 6.598 43.277 ( -2.730 -8.451 0.282) 8.886 43.470 ( -0.099 -8.528 -7.261) 11.201 43.613 ( -5.670 -15.138 -20.742) 26.297 ======================= Grid point 217 (78/105) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -4.407 8.577 10.652) 14.368 2.824 ( 4.407 8.577 10.652) 14.368 3.020 ( -3.256 2.074 2.583) 4.645 3.020 ( 3.256 2.074 2.583) 4.645 3.312 ( -3.934 2.845 2.630) 5.521 3.312 ( 3.934 2.845 2.630) 5.521 3.437 ( -6.556 -0.516 -4.823) 8.155 3.437 ( 6.556 -0.516 -4.823) 8.155 3.931 ( -12.430 2.204 0.104) 12.624 3.931 ( 12.430 2.204 0.104) 12.624 4.323 ( -8.156 -5.532 -15.697) 18.534 4.323 ( 8.156 -5.532 -15.697) 18.534 4.834 ( -7.362 -2.429 1.365) 7.872 4.834 ( 7.362 -2.429 1.365) 7.872 4.999 ( -10.393 -0.990 -5.057) 11.600 4.999 ( 10.393 -0.990 -5.057) 11.600 5.445 ( -15.644 -1.020 9.159) 18.157 5.445 ( 15.644 -1.020 9.159) 18.157 5.733 ( -2.951 5.594 -2.712) 6.882 5.733 ( 2.951 5.594 -2.712) 6.882 6.322 ( -15.132 0.888 3.925) 15.658 6.322 ( 15.132 0.888 3.925) 15.658 6.518 ( -12.874 -1.273 0.169) 12.938 6.518 ( 12.874 -1.273 0.169) 12.938 6.849 ( -9.955 3.542 1.011) 10.614 6.849 ( 9.955 3.542 1.011) 10.614 7.097 ( -9.786 3.627 -4.854) 11.510 7.097 ( 9.786 3.627 -4.854) 11.510 7.978 ( -3.621 5.572 1.536) 6.821 7.978 ( 3.621 5.572 1.536) 6.821 8.245 ( -4.369 8.045 -8.496) 12.489 8.245 ( 4.369 8.045 -8.496) 12.489 9.457 ( -2.220 -4.864 12.489) 13.585 9.457 ( 2.220 -4.864 12.489) 13.585 9.738 ( -1.710 -7.358 -0.792) 7.595 9.738 ( 1.710 -7.358 -0.792) 7.595 11.625 ( -2.333 64.273 1.227) 64.327 11.625 ( 2.333 64.273 1.227) 64.327 11.650 ( -1.801 65.430 -0.038) 65.455 11.650 ( 1.801 65.430 -0.038) 65.455 12.438 ( -9.016 28.802 3.657) 30.400 12.438 ( 9.016 28.802 3.657) 30.400 12.606 ( -13.723 25.981 -4.259) 29.689 12.606 ( 13.723 25.981 -4.259) 29.689 15.756 ( -4.149 -33.342 2.372) 33.682 15.756 ( 4.149 -33.342 2.372) 33.682 15.869 ( -4.829 -33.795 -3.110) 34.279 15.869 ( 4.829 -33.795 -3.110) 34.279 17.907 ( -0.705 -50.067 1.641) 50.099 17.907 ( 0.705 -50.067 1.641) 50.099 17.974 ( -1.026 -50.363 -1.464) 50.395 17.974 ( 1.026 -50.363 -1.464) 50.395 19.642 ( -0.312 -2.526 8.281) 8.663 19.642 ( 0.312 -2.526 8.281) 8.663 19.973 ( -0.509 1.878 -3.079) 3.642 19.973 ( 0.509 1.878 -3.079) 3.642 20.011 ( -0.792 -5.749 12.509) 13.789 20.011 ( 0.792 -5.749 12.509) 13.789 20.610 ( -0.640 -8.584 -11.781) 14.590 20.610 ( 0.640 -8.584 -11.781) 14.590 24.509 ( -5.185 52.536 2.687) 52.860 24.509 ( 5.185 52.536 2.687) 52.860 24.610 ( -2.800 50.941 -2.012) 51.057 24.610 ( 2.800 50.941 -2.012) 51.057 28.491 ( -1.264 -51.978 2.571) 52.057 28.491 ( 1.264 -51.978 2.571) 52.057 28.598 ( -1.273 -53.171 -2.436) 53.242 28.598 ( 1.273 -53.171 -2.436) 53.242 36.839 ( -5.248 30.560 14.301) 34.147 36.839 ( 5.248 30.560 14.301) 34.147 37.471 ( -5.584 21.164 -0.948) 21.908 37.471 ( 5.584 21.164 -0.948) 21.908 37.616 ( -10.321 27.267 -8.439) 30.352 37.616 ( 10.321 27.267 -8.439) 30.352 37.967 ( -2.195 22.098 -10.452) 24.543 37.967 ( 2.195 22.098 -10.452) 24.543 42.462 ( -10.310 4.220 9.099) 14.384 42.462 ( 10.310 4.220 9.099) 14.384 42.763 ( -13.011 -4.507 -4.504) 14.488 42.763 ( 13.011 -4.507 -4.504) 14.488 43.197 ( -4.036 -6.602 0.407) 7.748 43.197 ( 4.036 -6.602 0.407) 7.748 43.500 ( -3.486 -11.007 -12.501) 17.017 43.500 ( 3.486 -11.007 -12.501) 17.017 ======================= Grid point 220 (79/105) ======================= q-point: ( 0.00 0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( 0.000 3.206 3.446) 4.707 3.013 ( 0.000 0.484 10.065) 10.077 3.114 ( 0.000 5.358 10.350) 11.655 3.123 ( 0.000 4.147 6.067) 7.348 3.281 ( 0.000 1.476 -5.494) 5.689 3.359 ( 0.000 9.210 7.787) 12.061 3.490 ( 0.000 4.676 -0.171) 4.679 3.618 ( 0.000 -0.955 -11.154) 11.195 3.728 ( 0.000 -0.437 -7.691) 7.704 3.947 ( 0.000 4.205 -16.368) 16.900 4.104 ( 0.000 -13.996 0.826) 14.021 4.429 ( 0.000 -4.490 -9.973) 10.937 4.535 ( 0.000 4.525 7.804) 9.021 4.747 ( 0.000 -7.199 2.914) 7.766 4.896 ( 0.000 1.554 -7.059) 7.228 5.099 ( 0.000 -8.904 -7.076) 11.373 5.400 ( 0.000 1.628 1.705) 2.358 5.477 ( 0.000 -1.529 1.478) 2.126 5.606 ( 0.000 -0.624 -4.574) 4.617 5.626 ( 0.000 0.043 -7.919) 7.919 6.221 ( 0.000 3.893 13.043) 13.611 6.249 ( 0.000 -0.634 3.847) 3.899 6.434 ( 0.000 -4.590 2.135) 5.063 6.483 ( 0.000 -3.059 -5.848) 6.600 7.129 ( 0.000 13.771 3.740) 14.270 7.227 ( 0.000 6.303 10.129) 11.930 7.337 ( 0.000 2.431 5.802) 6.291 7.472 ( 0.000 1.028 -2.289) 2.509 7.813 ( 0.000 7.934 -7.286) 10.772 8.064 ( 0.000 3.653 -10.751) 11.355 8.154 ( 0.000 -5.871 -0.800) 5.925 8.349 ( 0.000 -6.608 -7.673) 10.126 9.381 ( 0.000 -1.192 11.649) 11.710 9.393 ( 0.000 -3.618 11.316) 11.880 9.633 ( 0.000 -5.308 -0.350) 5.320 9.636 ( 0.000 -3.119 -0.034) 3.119 12.587 ( 0.000 24.417 1.362) 24.455 12.653 ( 0.000 25.810 -2.009) 25.888 12.739 ( 0.000 41.251 0.115) 41.251 12.754 ( 0.000 42.609 -0.570) 42.613 12.972 ( 0.000 58.528 2.077) 58.564 13.033 ( 0.000 59.205 -0.574) 59.208 13.222 ( 0.000 25.770 6.023) 26.464 13.456 ( 0.000 22.294 -5.241) 22.902 15.158 ( 0.000 -4.890 1.237) 5.044 15.228 ( 0.000 -6.315 -1.999) 6.624 15.440 ( 0.000 -10.245 2.429) 10.529 15.548 ( 0.000 -11.569 -2.783) 11.899 16.787 ( 0.000 -60.719 1.063) 60.728 16.823 ( 0.000 -58.015 0.746) 58.020 16.851 ( 0.000 -62.826 -0.690) 62.830 16.893 ( 0.000 -60.610 -1.256) 60.623 19.661 ( 0.000 3.614 10.420) 11.029 19.666 ( 0.000 3.455 11.513) 12.020 19.862 ( 0.000 -5.966 14.708) 15.872 19.879 ( 0.000 -7.056 15.465) 16.999 20.082 ( 0.000 8.040 -9.306) 12.298 20.119 ( 0.000 7.692 -9.630) 12.325 20.426 ( 0.000 -8.975 -11.725) 14.766 20.453 ( 0.000 -8.986 -11.606) 14.678 25.423 ( 0.000 53.313 2.818) 53.387 25.527 ( 0.000 51.023 -1.854) 51.056 25.647 ( 0.000 49.290 0.408) 49.291 25.667 ( 0.000 49.797 -0.484) 49.800 27.456 ( 0.000 -51.337 2.193) 51.384 27.521 ( 0.000 -52.141 0.635) 52.145 27.554 ( 0.000 -50.017 -0.342) 50.018 27.621 ( 0.000 -51.379 -1.970) 51.417 37.242 ( 0.000 22.895 11.177) 25.478 37.484 ( 0.000 19.483 18.215) 26.671 37.668 ( 0.000 2.363 10.834) 11.089 37.732 ( 0.000 22.830 -11.616) 25.615 37.785 ( 0.000 4.950 12.191) 13.158 38.128 ( 0.000 3.714 -10.096) 10.758 38.384 ( 0.000 12.222 -15.261) 19.552 38.431 ( 0.000 9.474 -26.580) 28.218 42.401 ( 0.000 10.892 1.079) 10.945 42.417 ( 0.000 14.274 1.083) 14.315 42.767 ( 0.000 -8.197 3.822) 9.044 42.790 ( 0.000 4.038 12.086) 12.743 42.931 ( 0.000 -10.000 -3.855) 10.717 43.116 ( 0.000 -10.182 3.220) 10.679 43.352 ( 0.000 -4.378 -7.186) 8.415 43.425 ( 0.000 -9.167 -16.948) 19.268 ======================= Grid point 221 (80/105) ======================= q-point: ( 0.25 0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -2.292 0.845 7.604) 7.987 3.005 ( -5.341 3.154 9.977) 11.749 3.089 ( -1.219 7.548 4.994) 9.133 3.139 ( 2.828 3.313 6.473) 7.802 3.286 ( 0.514 1.155 -1.080) 1.662 3.381 ( 0.021 3.374 -0.121) 3.377 3.426 ( -1.846 1.888 -3.243) 4.182 3.605 ( -7.318 -1.613 -3.791) 8.398 3.790 ( 10.736 6.912 -6.044) 14.126 4.026 ( 6.744 3.762 -14.365) 16.309 4.193 ( 3.179 -6.876 -3.495) 8.342 4.323 ( -4.802 -0.888 -3.789) 6.180 4.662 ( 7.227 -2.270 -3.331) 8.275 4.818 ( -0.157 -4.193 -0.418) 4.216 4.851 ( 0.805 -3.004 -4.013) 5.077 5.032 ( -2.724 -6.608 -0.508) 7.165 5.278 ( -3.920 0.867 1.043) 4.148 5.589 ( 3.481 -1.686 -6.600) 7.650 5.701 ( -2.002 -4.145 1.725) 4.916 5.759 ( 7.484 0.836 -1.099) 7.610 6.009 ( 6.658 2.180 7.212) 10.054 6.241 ( -3.453 -2.347 -3.198) 5.259 6.545 ( 7.008 -3.598 8.645) 11.696 6.719 ( 10.576 0.840 0.165) 10.610 6.892 ( -16.598 8.245 3.918) 18.943 7.042 ( -8.541 5.908 4.556) 11.341 7.239 ( -15.402 0.282 -2.441) 15.597 7.370 ( -6.245 3.956 -2.960) 7.963 7.938 ( 7.830 4.916 1.503) 9.367 8.022 ( -0.197 0.499 -3.898) 3.935 8.242 ( 6.289 -0.468 -4.876) 7.971 8.407 ( 1.835 0.348 -8.771) 8.968 9.362 ( -0.632 -3.189 11.404) 11.858 9.394 ( -0.741 -2.824 10.765) 11.154 9.614 ( -1.242 -5.543 0.198) 5.684 9.621 ( -1.246 -4.460 -0.556) 4.664 12.645 ( 1.669 32.912 1.221) 32.977 12.690 ( 7.401 28.303 -0.580) 29.260 12.767 ( 0.488 42.358 0.793) 42.368 12.821 ( 4.024 36.072 -1.364) 36.322 12.959 ( 0.174 54.431 2.449) 54.486 13.034 ( 1.456 53.606 -0.832) 53.633 13.183 ( -3.722 29.424 4.195) 29.954 13.364 ( -8.021 24.246 -4.233) 25.887 15.205 ( 3.916 -5.808 1.258) 7.117 15.273 ( 3.955 -7.448 -1.790) 8.621 15.404 ( -3.112 -9.725 1.937) 10.393 15.503 ( -3.930 -11.124 -2.721) 12.107 16.795 ( 0.643 -60.665 1.159) 60.680 16.822 ( -0.216 -58.957 1.271) 58.971 16.855 ( 0.518 -61.903 -1.259) 61.918 16.888 ( -0.520 -60.546 -1.329) 60.563 19.662 ( 0.070 3.578 10.577) 11.167 19.665 ( -0.056 3.465 11.352) 11.869 19.863 ( 0.151 -6.059 14.798) 15.991 19.876 ( -0.291 -6.824 15.324) 16.777 20.087 ( 0.509 7.953 -9.323) 12.265 20.114 ( -0.461 7.714 -9.561) 12.294 20.430 ( 0.319 -8.942 -11.719) 14.745 20.449 ( -0.359 -8.952 -11.635) 14.684 25.450 ( 2.428 52.868 2.620) 52.988 25.540 ( 1.032 50.660 -1.148) 50.683 25.616 ( -2.652 50.320 0.172) 50.390 25.643 ( -1.958 49.941 -0.680) 49.984 27.467 ( 0.997 -51.127 2.173) 51.183 27.518 ( -0.597 -51.219 1.668) 51.250 27.557 ( 0.524 -51.026 -1.386) 51.048 27.608 ( -1.099 -51.540 -1.933) 51.588 37.270 ( 2.555 22.429 11.947) 25.541 37.439 ( -3.749 19.916 16.779) 26.310 37.678 ( 0.964 3.162 10.331) 10.847 37.727 ( -0.641 9.123 3.996) 9.980 37.859 ( 6.734 16.612 -4.691) 18.529 38.166 ( 3.226 5.138 -10.757) 12.350 38.309 ( -9.527 12.382 -22.440) 27.342 38.350 ( -3.524 11.086 -14.901) 18.904 42.460 ( 4.083 10.853 2.690) 11.903 42.516 ( 8.928 7.530 -0.699) 11.701 42.700 ( -5.060 2.116 8.390) 10.023 42.792 ( -0.702 -4.185 2.119) 4.743 42.975 ( 3.169 -8.913 -0.377) 9.467 43.097 ( -1.753 -9.786 2.901) 10.356 43.334 ( -1.159 -4.903 -8.331) 9.735 43.389 ( -2.899 -7.734 -14.754) 16.908 ======================= Grid point 222 (81/105) ======================= q-point: (-0.50 0.42 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -2.336 1.519 8.887) 9.314 2.916 ( 2.336 1.519 8.887) 9.314 3.107 ( -2.956 5.954 5.947) 8.920 3.107 ( 2.956 5.954 5.947) 8.920 3.351 ( -2.735 0.110 -2.043) 3.415 3.351 ( 2.735 0.110 -2.043) 3.415 3.455 ( -5.085 1.784 -3.667) 6.518 3.455 ( 5.085 1.784 -3.667) 6.518 4.026 ( -9.166 7.194 -2.266) 11.870 4.026 ( 9.166 7.194 -2.266) 11.870 4.250 ( -5.581 -1.882 -13.190) 14.446 4.250 ( 5.581 -1.882 -13.190) 14.446 4.751 ( -4.627 -4.980 0.650) 6.828 4.751 ( 4.627 -4.980 0.650) 6.828 4.954 ( -8.265 -3.291 -6.981) 11.308 4.954 ( 8.265 -3.291 -6.981) 11.308 5.385 ( -13.967 -3.936 10.122) 17.693 5.385 ( 13.967 -3.936 10.122) 17.693 5.771 ( -6.960 -0.848 -6.562) 9.603 5.771 ( 6.960 -0.848 -6.562) 9.603 6.334 ( -3.061 1.259 6.214) 7.041 6.334 ( 3.061 1.259 6.214) 7.041 6.508 ( -5.662 -0.078 2.499) 6.190 6.508 ( 5.663 -0.078 2.499) 6.190 6.904 ( -9.272 2.037 -0.070) 9.494 6.904 ( 9.272 2.037 -0.070) 9.494 7.155 ( -11.617 2.093 -3.831) 12.410 7.155 ( 11.617 2.093 -3.831) 12.410 8.037 ( -0.695 1.296 3.590) 3.879 8.037 ( 0.695 1.296 3.590) 3.879 8.372 ( -4.770 4.686 -9.081) 11.277 8.372 ( 4.770 4.686 -9.081) 11.277 9.368 ( -1.095 -3.705 10.760) 11.432 9.368 ( 1.095 -3.705 10.760) 11.432 9.600 ( -0.237 -5.798 -0.186) 5.806 9.600 ( 0.237 -5.798 -0.186) 5.806 12.716 ( -4.074 38.138 3.011) 38.473 12.716 ( 4.074 38.138 3.011) 38.473 12.826 ( -3.522 43.264 -2.207) 43.463 12.826 ( 3.522 43.264 -2.207) 43.463 13.055 ( -7.112 35.341 2.439) 36.132 13.055 ( 7.112 35.341 2.439) 36.132 13.159 ( -8.944 34.658 -2.185) 35.860 13.159 ( 8.944 34.658 -2.185) 35.860 15.303 ( -4.386 -7.793 1.824) 9.126 15.303 ( 4.386 -7.793 1.824) 9.126 15.395 ( -5.287 -9.788 -2.577) 11.419 15.395 ( 5.287 -9.788 -2.577) 11.419 16.811 ( -0.736 -60.287 1.365) 60.307 16.811 ( 0.736 -60.287 1.365) 60.307 16.872 ( -0.864 -60.703 -1.454) 60.727 16.872 ( 0.864 -60.703 -1.454) 60.727 19.664 ( -0.088 3.508 10.963) 11.511 19.664 ( 0.088 3.508 10.963) 11.511 19.869 ( -0.309 -6.373 15.037) 16.335 19.869 ( 0.309 -6.373 15.037) 16.335 20.101 ( -0.681 7.802 -9.418) 12.249 20.101 ( 0.681 7.802 -9.418) 12.249 20.439 ( -0.480 -8.914 -11.689) 14.708 20.439 ( 0.480 -8.914 -11.689) 14.708 25.519 ( -3.468 51.416 2.078) 51.574 25.519 ( 3.468 51.416 2.078) 51.574 25.597 ( -1.794 50.662 -1.558) 50.718 25.597 ( 1.794 50.662 -1.558) 50.718 27.494 ( -1.366 -50.756 2.123) 50.819 27.494 ( 1.366 -50.756 2.123) 50.819 27.579 ( -1.373 -51.720 -1.859) 51.771 27.579 ( 1.373 -51.720 -1.859) 51.771 37.347 ( -4.279 21.196 14.073) 25.800 37.347 ( 4.279 21.196 14.073) 25.800 37.705 ( -1.295 4.159 9.527) 10.476 37.705 ( 1.295 4.159 9.527) 10.476 38.061 ( -11.298 17.369 -15.338) 25.779 38.061 ( 11.298 17.369 -15.338) 25.779 38.260 ( -4.501 8.086 -12.489) 15.544 38.260 ( 4.501 8.086 -12.489) 15.544 42.572 ( -5.856 6.280 5.853) 10.391 42.572 ( 5.856 6.280 5.853) 10.391 42.714 ( -7.054 -0.085 -1.580) 7.229 42.714 ( 7.054 -0.085 -1.580) 7.229 43.045 ( -2.971 -8.950 1.837) 9.608 43.045 ( 2.971 -8.950 1.837) 9.608 43.332 ( -1.529 -5.834 -10.764) 12.338 43.332 ( 1.529 -5.834 -10.764) 12.338 ======================= Grid point 225 (82/105) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 0.000 -0.002 4.800) 4.800 3.017 ( 0.000 0.003 4.800) 4.800 3.167 ( 0.000 -0.028 11.086) 11.086 3.167 ( 0.000 0.028 11.086) 11.086 3.382 ( 0.000 -7.192 -3.714) 8.095 3.382 ( 0.000 7.192 -3.714) 8.095 3.609 ( 0.000 -6.147 -4.306) 7.505 3.609 ( 0.000 6.147 -4.306) 7.505 3.777 ( 0.000 -16.310 0.550) 16.320 3.777 ( 0.000 16.310 0.550) 16.320 4.217 ( 0.000 -16.399 -17.496) 23.980 4.217 ( 0.000 16.399 -17.496) 23.980 4.627 ( 0.000 -4.194 6.348) 7.608 4.627 ( 0.000 4.194 6.348) 7.608 4.955 ( 0.000 -4.732 -6.178) 7.782 4.955 ( 0.000 4.732 -6.178) 7.782 5.441 ( 0.000 -0.752 1.158) 1.380 5.441 ( 0.000 0.752 1.158) 1.380 5.616 ( 0.000 -0.239 -6.120) 6.124 5.616 ( 0.000 0.239 -6.120) 6.124 6.256 ( 0.000 -0.028 8.317) 8.317 6.256 ( 0.000 0.028 8.317) 8.317 6.414 ( 0.000 -1.120 -0.433) 1.200 6.414 ( 0.000 1.120 -0.433) 1.200 7.280 ( 0.000 -0.955 7.194) 7.257 7.280 ( 0.000 0.955 7.194) 7.257 7.421 ( 0.000 -4.987 1.376) 5.173 7.421 ( 0.000 4.987 1.376) 5.173 7.992 ( 0.000 -9.134 -4.250) 10.074 7.992 ( 0.000 9.134 -4.251) 10.075 8.182 ( 0.000 -7.029 -9.365) 11.710 8.182 ( 0.000 7.029 -9.365) 11.710 9.366 ( 0.000 -0.025 10.978) 10.978 9.366 ( 0.000 0.025 10.978) 10.978 9.594 ( 0.000 -0.706 0.235) 0.744 9.594 ( 0.000 0.706 0.235) 0.744 12.981 ( 0.000 -11.437 1.373) 11.520 12.981 ( 0.000 11.438 1.373) 11.520 13.051 ( 0.000 -10.141 -2.248) 10.387 13.051 ( 0.000 10.141 -2.248) 10.387 13.552 ( 0.000 -1.426 4.194) 4.430 13.552 ( 0.000 1.427 4.194) 4.430 13.692 ( 0.000 -4.630 -2.570) 5.295 13.692 ( 0.000 4.630 -2.570) 5.295 15.643 ( 0.000 -50.999 0.929) 51.007 15.643 ( 0.000 50.999 0.929) 51.007 15.688 ( 0.000 -50.318 -0.936) 50.327 15.688 ( 0.000 50.318 -0.936) 50.327 15.772 ( 0.000 -44.209 0.585) 44.213 15.772 ( 0.000 44.209 0.585) 44.213 15.819 ( 0.000 -41.810 -1.366) 41.832 15.819 ( 0.000 41.810 -1.366) 41.832 19.751 ( 0.000 -5.349 12.707) 13.787 19.751 ( 0.000 5.349 12.707) 13.787 19.757 ( 0.000 -5.589 13.532) 14.641 19.757 ( 0.000 5.589 13.532) 14.641 20.250 ( 0.000 -9.057 -10.751) 14.057 20.250 ( 0.000 9.057 -10.751) 14.057 20.281 ( 0.000 -8.701 -10.944) 13.981 20.281 ( 0.000 8.701 -10.944) 13.981 26.450 ( 0.000 -52.385 2.184) 52.431 26.450 ( 0.000 52.385 2.184) 52.431 26.518 ( 0.000 -51.171 -0.638) 51.175 26.518 ( 0.000 51.171 -0.638) 51.175 26.598 ( 0.000 -48.859 0.382) 48.860 26.598 ( 0.000 48.859 0.382) 48.860 26.636 ( 0.000 -50.135 -1.188) 50.149 26.636 ( 0.000 50.135 -1.188) 50.149 37.579 ( 0.000 -11.327 11.296) 15.997 37.579 ( 0.000 11.327 11.296) 15.997 37.753 ( 0.000 -7.990 15.191) 17.164 37.753 ( 0.000 7.990 15.191) 17.164 38.058 ( 0.000 -10.506 -10.902) 15.140 38.058 ( 0.000 10.506 -10.902) 15.140 38.511 ( 0.000 -1.074 -20.175) 20.204 38.511 ( 0.000 1.074 -20.175) 20.204 42.598 ( 0.000 -9.311 2.901) 9.752 42.598 ( 0.000 9.311 2.901) 9.752 42.695 ( 0.000 -13.804 -0.993) 13.840 42.695 ( 0.000 13.804 -0.993) 13.840 42.924 ( 0.000 -9.094 6.575) 11.222 42.924 ( 0.000 9.094 6.575) 11.222 43.323 ( 0.000 -1.602 -11.392) 11.504 43.323 ( 0.000 1.602 -11.392) 11.504 ======================= Grid point 227 (83/105) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -2.388 0.000 6.874) 7.276 3.036 ( -5.767 0.000 10.063) 11.599 3.152 ( 2.941 0.000 4.859) 5.680 3.214 ( -0.239 0.000 11.749) 11.751 3.326 ( 0.131 0.000 0.389) 0.410 3.362 ( -2.692 -0.000 -10.104) 10.456 3.466 ( -5.398 -0.000 -7.447) 9.197 3.570 ( -3.032 0.000 0.331) 3.050 3.964 ( 11.367 -0.001 -0.332) 11.372 3.969 ( 12.040 0.001 -4.076) 12.712 4.171 ( 0.233 0.000 -12.990) 12.992 4.311 ( 0.129 -0.000 -12.116) 12.117 4.606 ( 5.030 -0.000 -2.194) 5.488 4.754 ( 2.909 0.000 4.128) 5.050 4.842 ( -3.845 0.000 -7.487) 8.417 4.948 ( -2.015 0.000 1.040) 2.267 5.293 ( -3.938 0.000 -0.985) 4.059 5.571 ( 4.267 0.000 -9.370) 10.295 5.653 ( -8.640 -0.000 6.792) 10.990 5.764 ( 9.847 0.000 -1.236) 9.924 6.031 ( 7.719 -0.000 6.418) 10.039 6.225 ( -3.545 0.000 -4.719) 5.902 6.506 ( 6.128 0.000 9.372) 11.198 6.727 ( 12.016 0.000 3.417) 12.493 6.971 ( -17.230 0.000 5.436) 18.068 7.118 ( -10.731 0.000 4.073) 11.478 7.228 ( -15.571 0.000 -4.112) 16.105 7.412 ( -7.804 0.000 -3.705) 8.638 7.995 ( 4.318 0.000 5.264) 6.809 8.027 ( -0.909 -0.000 -2.185) 2.367 8.225 ( 11.909 0.000 -8.463) 14.609 8.398 ( 6.297 -0.000 -9.856) 11.696 9.330 ( -1.299 0.000 10.933) 11.010 9.369 ( -1.296 0.000 9.945) 10.029 9.562 ( -1.994 -0.000 0.731) 2.124 9.572 ( -1.904 0.000 -0.344) 1.935 13.009 ( 3.426 -0.000 1.879) 3.907 13.034 ( 3.757 -0.000 2.773) 4.670 13.109 ( 5.167 0.000 -3.120) 6.036 13.135 ( 4.883 -0.000 -1.866) 5.228 13.499 ( -3.243 0.000 5.130) 6.069 13.535 ( -2.210 -0.000 2.346) 3.223 13.625 ( -3.951 0.000 -2.054) 4.453 13.675 ( -2.836 -0.000 -3.148) 4.237 15.631 ( 0.367 -0.000 0.589) 0.694 15.661 ( -0.281 0.001 -0.629) 0.689 15.676 ( 0.913 -0.001 1.235) 1.536 15.718 ( -2.042 0.000 1.300) 2.421 15.740 ( 1.275 0.000 -1.809) 2.213 15.785 ( -0.109 0.000 -1.556) 1.559 15.793 ( -0.097 -0.000 0.666) 0.673 15.842 ( 0.050 0.000 -1.395) 1.396 19.751 ( 0.056 -5.200 12.796) 13.813 19.752 ( 0.056 5.200 12.797) 13.813 19.756 ( -0.089 -0.000 13.483) 13.483 19.756 ( -0.084 0.000 13.388) 13.388 20.253 ( 0.262 0.000 -10.732) 10.735 20.254 ( 0.295 -0.000 -10.792) 10.796 20.277 ( -0.286 -0.000 -10.917) 10.920 20.278 ( -0.252 0.000 -10.953) 10.956 26.448 ( 0.637 0.000 1.718) 1.832 26.475 ( 1.014 -0.000 2.513) 2.710 26.501 ( 0.026 -0.000 -0.571) 0.572 26.541 ( 0.320 0.000 0.850) 0.908 26.586 ( -2.307 0.000 -1.704) 2.868 26.592 ( 0.421 -0.000 -0.904) 0.997 26.598 ( -0.815 0.000 0.852) 1.179 26.648 ( -0.400 -0.000 -1.228) 1.291 37.594 ( 1.589 0.000 11.110) 11.223 37.599 ( 1.608 -0.000 12.142) 12.248 37.711 ( -2.710 -0.000 13.853) 14.115 37.722 ( -2.884 0.000 13.786) 14.084 38.126 ( 5.419 0.000 -10.913) 12.184 38.131 ( 6.183 -0.000 -11.649) 13.188 38.431 ( -6.224 0.000 -18.438) 19.460 38.453 ( -5.618 0.000 -18.193) 19.041 42.599 ( 1.240 0.000 2.910) 3.163 42.639 ( 1.491 0.000 2.875) 3.239 42.715 ( 2.388 -0.000 -1.937) 3.074 42.736 ( 2.426 0.000 -0.732) 2.534 42.899 ( -0.629 -0.000 5.801) 5.835 42.931 ( -0.534 0.000 6.491) 6.513 43.288 ( -1.771 -0.000 -11.265) 11.404 43.314 ( -1.573 0.000 -10.812) 10.926 ======================= Grid point 229 (84/105) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( -3.316 0.000 8.429) 9.058 2.927 ( 3.316 0.000 8.429) 9.058 3.183 ( -1.540 0.000 9.780) 9.900 3.183 ( 1.540 0.000 9.780) 9.900 3.333 ( -0.349 -0.000 -8.457) 8.464 3.333 ( 0.349 -0.000 -8.457) 8.464 3.478 ( -4.972 0.000 -2.113) 5.402 3.478 ( 4.972 0.000 -2.113) 5.402 4.140 ( -2.439 0.000 -4.721) 5.314 4.140 ( 2.439 0.000 -4.721) 5.314 4.217 ( -6.835 0.000 -7.911) 10.455 4.217 ( 6.835 0.000 -7.911) 10.455 4.695 ( -3.285 0.000 -1.607) 3.657 4.695 ( 3.285 0.000 -1.607) 3.657 4.908 ( -6.708 0.000 -8.594) 10.902 4.908 ( 6.708 -0.000 -8.594) 10.902 5.338 ( -11.728 0.000 11.217) 16.229 5.338 ( 11.728 -0.000 11.217) 16.229 5.753 ( -9.417 0.000 -7.722) 12.178 5.753 ( 9.417 0.000 -7.722) 12.178 6.354 ( -18.616 0.000 7.339) 20.010 6.354 ( 18.616 -0.000 7.339) 20.010 6.506 ( -20.619 0.000 4.226) 21.048 6.506 ( 20.619 0.000 4.226) 21.048 6.925 ( -4.246 0.000 -1.259) 4.428 6.925 ( 4.246 0.000 -1.259) 4.428 7.175 ( -12.176 0.000 -3.951) 12.801 7.175 ( 12.176 0.000 -3.951) 12.801 8.047 ( -0.259 0.000 4.643) 4.650 8.047 ( 0.259 0.000 4.643) 4.650 8.419 ( -4.579 0.000 -9.517) 10.561 8.419 ( 4.579 0.000 -9.517) 10.561 9.330 ( -1.412 0.000 10.013) 10.112 9.330 ( 1.412 0.000 10.013) 10.112 9.540 ( -0.431 0.000 0.132) 0.451 9.540 ( 0.431 0.000 0.132) 0.451 13.081 ( -1.158 -0.000 3.050) 3.262 13.081 ( 1.158 0.000 3.050) 3.262 13.190 ( -0.608 0.000 -1.902) 1.997 13.190 ( 0.608 0.000 -1.902) 1.997 13.472 ( -2.111 -0.000 2.772) 3.484 13.472 ( 2.111 0.000 2.772) 3.484 13.601 ( -2.555 0.000 -2.734) 3.742 13.601 ( 2.555 0.000 -2.734) 3.742 15.656 ( -1.741 -0.000 0.610) 1.844 15.656 ( 1.741 -0.000 0.610) 1.844 15.676 ( -1.514 0.001 -0.030) 1.515 15.676 ( 1.514 0.000 -0.030) 1.515 15.771 ( -1.641 -0.000 0.146) 1.647 15.771 ( 1.641 0.000 0.146) 1.647 15.820 ( -1.927 -0.000 -1.538) 2.465 15.820 ( 1.927 0.000 -1.538) 2.465 19.753 ( -0.010 -0.000 12.920) 12.920 19.753 ( 0.010 -0.000 12.920) 12.920 19.754 ( -0.030 0.000 13.304) 13.304 19.754 ( 0.030 0.000 13.304) 13.304 20.258 ( -0.081 -0.000 -10.764) 10.764 20.258 ( 0.081 0.000 -10.764) 10.764 20.273 ( -0.092 0.000 -10.935) 10.935 20.273 ( 0.092 -0.000 -10.935) 10.935 26.471 ( -1.140 -0.000 1.769) 2.105 26.471 ( 1.140 -0.000 1.769) 2.105 26.523 ( -1.886 0.000 0.033) 1.886 26.523 ( 1.886 0.000 0.033) 1.886 26.568 ( -1.496 -0.000 0.444) 1.561 26.568 ( 1.496 -0.000 0.444) 1.561 26.624 ( -1.648 -0.000 -1.462) 2.203 26.624 ( 1.648 -0.000 -1.462) 2.203 37.633 ( -0.131 0.000 12.461) 12.462 37.633 ( 0.131 0.000 12.461) 12.462 37.665 ( -0.348 -0.000 12.477) 12.482 37.665 ( 0.348 -0.000 12.477) 12.482 38.264 ( -4.332 0.000 -14.127) 14.777 38.264 ( 4.332 0.000 -14.127) 14.777 38.303 ( -4.875 -0.000 -14.539) 15.334 38.303 ( 4.875 0.000 -14.539) 15.334 42.635 ( -1.571 0.000 3.097) 3.473 42.635 ( 1.571 0.000 3.097) 3.473 42.762 ( -0.794 -0.000 -1.947) 2.103 42.762 ( 0.794 -0.000 -1.947) 2.103 42.908 ( -1.195 0.000 5.691) 5.815 42.908 ( 1.195 0.000 5.691) 5.815 43.276 ( -1.056 0.000 -10.587) 10.640 43.276 ( 1.056 0.000 -10.587) 10.640 ======================= Grid point 260 (85/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 0.000 -15.450) 15.450 1.647 ( 0.000 0.000 15.450) 15.450 2.313 ( 0.000 0.000 -24.352) 24.352 2.313 ( 0.000 0.000 24.352) 24.352 2.951 ( 0.000 0.000 -2.529) 2.529 2.951 ( 0.000 0.000 2.529) 2.529 3.163 ( 0.000 0.000 -0.683) 0.683 3.163 ( 0.000 0.000 0.683) 0.683 3.726 ( 0.000 0.000 -21.503) 21.503 3.726 ( 0.000 0.000 21.503) 21.503 3.953 ( 0.000 0.000 -6.215) 6.215 3.953 ( 0.000 0.000 6.215) 6.215 4.485 ( 0.000 0.000 -4.377) 4.377 4.485 ( 0.000 0.000 4.377) 4.377 4.633 ( 0.000 0.000 -5.292) 5.292 4.633 ( 0.000 0.000 5.292) 5.292 5.136 ( 0.000 0.000 -2.724) 2.724 5.136 ( 0.000 0.000 2.724) 2.724 5.263 ( 0.000 0.000 -1.636) 1.636 5.263 ( 0.000 0.000 1.636) 1.636 5.864 ( 0.000 0.000 -15.123) 15.123 5.864 ( 0.000 0.000 15.123) 15.123 6.418 ( 0.000 0.000 -4.134) 4.134 6.418 ( 0.000 0.000 4.134) 4.134 6.436 ( 0.000 0.000 -5.276) 5.276 6.436 ( 0.000 0.000 5.276) 5.276 7.231 ( 0.000 0.000 -1.579) 1.579 7.231 ( 0.000 0.000 1.579) 1.579 7.479 ( 0.000 0.000 -18.050) 18.050 7.479 ( 0.000 0.000 18.050) 18.050 7.791 ( 0.000 0.000 -5.656) 5.656 7.791 ( 0.000 0.000 5.656) 5.656 9.107 ( 0.000 0.000 -5.094) 5.094 9.107 ( 0.000 0.000 5.094) 5.094 9.570 ( 0.000 0.000 -1.353) 1.353 9.570 ( 0.000 0.000 1.353) 1.353 9.691 ( 0.000 0.000 -6.159) 6.159 9.691 ( 0.000 0.000 6.159) 6.159 10.776 ( 0.000 0.000 -1.557) 1.557 10.776 ( 0.000 0.000 1.557) 1.557 11.024 ( 0.000 0.000 -1.718) 1.718 11.024 ( 0.000 0.000 1.718) 1.718 11.165 ( 0.000 0.000 -1.212) 1.212 11.165 ( 0.000 0.000 1.212) 1.212 18.513 ( 0.000 0.000 -2.329) 2.329 18.513 ( 0.000 0.000 2.329) 2.329 18.608 ( 0.000 0.000 -1.238) 1.238 18.608 ( 0.000 0.000 1.238) 1.238 18.936 ( 0.000 0.000 -1.652) 1.652 18.936 ( 0.000 0.000 1.652) 1.652 19.007 ( 0.000 0.000 -2.027) 2.027 19.007 ( 0.000 0.000 2.027) 2.027 20.254 ( 0.000 0.000 -10.132) 10.132 20.254 ( 0.000 0.000 10.132) 10.132 20.617 ( 0.000 0.000 -1.710) 1.710 20.617 ( 0.000 0.000 1.710) 1.710 20.803 ( 0.000 0.000 -1.665) 1.665 20.803 ( 0.000 0.000 1.665) 1.665 20.847 ( 0.000 0.000 -2.238) 2.238 20.847 ( 0.000 0.000 2.238) 2.238 21.666 ( 0.000 0.000 -7.532) 7.532 21.666 ( 0.000 0.000 7.532) 7.532 21.931 ( 0.000 0.000 -1.347) 1.347 21.931 ( 0.000 0.000 1.347) 1.347 31.908 ( 0.000 0.000 -0.158) 0.158 31.908 ( 0.000 0.000 0.158) 0.158 31.937 ( 0.000 0.000 -0.182) 0.182 31.937 ( 0.000 0.000 0.182) 0.182 34.740 ( 0.000 0.000 -0.318) 0.318 34.740 ( 0.000 0.000 0.318) 0.318 34.741 ( 0.000 0.000 -0.456) 0.456 34.741 ( 0.000 0.000 0.456) 0.456 35.355 ( 0.000 0.000 -1.836) 1.836 35.355 ( 0.000 0.000 1.836) 1.836 35.464 ( 0.000 0.000 -0.384) 0.384 35.464 ( 0.000 0.000 0.384) 0.384 41.793 ( 0.000 0.000 -0.837) 0.837 41.793 ( 0.000 0.000 0.837) 0.837 43.343 ( 0.000 0.000 -9.666) 9.666 43.343 ( 0.000 0.000 9.666) 9.666 43.636 ( 0.000 0.000 -12.531) 12.531 43.636 ( 0.000 0.000 12.531) 12.531 44.052 ( 0.000 0.000 -44.929) 44.929 44.052 ( 0.000 0.000 44.929) 44.929 ======================= Grid point 262 (86/105) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 19.390 0.000 -9.598) 21.636 1.882 ( 19.390 0.000 9.598) 21.636 2.495 ( 14.462 0.000 -16.843) 22.200 2.495 ( 14.462 0.000 16.843) 22.200 2.807 ( -15.220 0.000 -1.046) 15.255 2.807 ( -15.220 0.000 1.046) 15.255 3.122 ( -2.550 0.000 -1.648) 3.036 3.122 ( -2.550 0.000 1.648) 3.036 3.756 ( -2.356 0.000 -9.016) 9.319 3.756 ( -2.356 0.000 9.016) 9.319 3.895 ( 4.532 0.000 -4.240) 6.206 3.895 ( 4.532 0.000 4.240) 6.206 4.480 ( -2.648 0.000 -3.944) 4.750 4.480 ( -2.648 0.000 3.944) 4.750 4.677 ( -1.458 0.000 -2.580) 2.963 4.677 ( -1.458 0.000 2.580) 2.963 5.043 ( -5.152 0.000 -2.762) 5.846 5.043 ( -5.152 0.000 2.762) 5.846 5.201 ( -1.847 0.000 -0.532) 1.922 5.201 ( -1.847 0.000 0.532) 1.922 5.960 ( 6.483 0.000 -15.902) 17.172 5.960 ( 6.483 0.000 15.902) 17.172 6.288 ( -8.373 0.000 -9.073) 12.346 6.288 ( -8.373 0.000 9.073) 12.346 6.567 ( 9.499 0.000 -1.479) 9.613 6.567 ( 9.499 0.000 1.479) 9.613 7.115 ( -11.688 0.000 -9.763) 15.229 7.115 ( -11.688 0.000 9.763) 15.229 7.548 ( 9.304 0.000 -9.307) 13.160 7.548 ( 9.304 0.000 9.307) 13.160 7.853 ( 1.549 0.000 -15.337) 15.415 7.853 ( 1.549 0.000 15.337) 15.415 9.111 ( 1.465 0.000 -2.014) 2.491 9.111 ( 1.465 0.000 2.014) 2.491 9.384 ( -9.479 0.000 -1.707) 9.632 9.384 ( -9.479 0.000 1.707) 9.632 9.982 ( 18.500 0.000 -4.326) 18.999 9.982 ( 18.500 0.000 4.326) 18.999 10.800 ( -9.873 0.000 -0.690) 9.897 10.800 ( -9.873 0.000 0.690) 9.897 10.884 ( 1.198 0.000 -2.124) 2.439 10.884 ( 1.198 0.000 2.124) 2.439 11.154 ( -2.966 0.000 -0.563) 3.019 11.154 ( -2.966 0.000 0.563) 3.019 18.525 ( 1.038 0.000 -2.141) 2.379 18.525 ( 1.038 0.000 2.141) 2.379 18.591 ( -1.424 0.000 -1.348) 1.961 18.591 ( -1.424 0.000 1.348) 1.961 18.950 ( 1.232 0.000 -1.680) 2.084 18.950 ( 1.232 0.000 1.680) 2.084 19.001 ( -0.599 0.000 -1.935) 2.026 19.001 ( -0.599 0.000 1.935) 2.026 20.279 ( 2.489 0.000 -9.363) 9.689 20.279 ( 2.489 0.000 9.363) 9.689 20.526 ( -6.990 0.000 -1.313) 7.113 20.526 ( -6.990 0.000 1.313) 7.113 20.823 ( 1.244 0.000 -2.200) 2.527 20.823 ( 1.244 0.000 2.200) 2.527 20.851 ( 0.179 0.000 -2.358) 2.364 20.851 ( 0.179 0.000 2.358) 2.364 21.679 ( 1.383 0.000 -7.652) 7.776 21.679 ( 1.383 0.000 7.652) 7.776 21.853 ( -5.872 0.000 -4.237) 7.241 21.853 ( -5.872 0.000 4.237) 7.241 31.915 ( 0.564 0.000 -0.096) 0.572 31.915 ( 0.564 0.000 0.096) 0.572 31.935 ( -0.197 0.000 -0.131) 0.236 31.935 ( -0.197 0.000 0.131) 0.236 34.739 ( -0.066 0.000 -0.331) 0.338 34.739 ( -0.066 0.000 0.331) 0.338 34.740 ( -0.092 0.000 -0.437) 0.447 34.740 ( -0.092 0.000 0.437) 0.447 35.374 ( 1.580 0.000 -1.681) 2.306 35.374 ( 1.580 0.000 1.681) 2.306 35.450 ( -1.222 0.000 -0.643) 1.381 35.450 ( -1.222 0.000 0.643) 1.381 42.140 ( 28.472 0.000 -9.802) 30.112 42.140 ( 28.472 0.000 9.802) 30.112 43.232 ( -11.263 0.000 -13.566) 17.632 43.232 ( -11.263 0.000 13.566) 17.632 43.665 ( 2.812 0.000 -14.537) 14.807 43.665 ( 2.812 0.000 14.537) 14.807 43.946 ( -8.516 0.000 -38.314) 39.249 43.946 ( -8.516 0.000 38.314) 39.249 ======================= Grid point 264 (87/105) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -22.570 0.000 -1.040) 22.594 2.363 ( -22.570 0.000 1.040) 22.594 2.363 ( 22.570 0.000 -1.040) 22.594 2.363 ( 22.570 0.000 1.040) 22.594 2.876 ( -17.376 0.000 -6.827) 18.668 2.876 ( 17.376 0.000 -6.827) 18.668 2.876 ( -17.376 0.000 6.827) 18.668 2.876 ( 17.376 0.000 6.827) 18.668 3.890 ( -8.769 0.000 -2.200) 9.041 3.890 ( -8.769 0.000 2.200) 9.041 3.890 ( 8.769 0.000 -2.200) 9.041 3.890 ( 8.769 0.000 2.200) 9.041 4.486 ( -6.980 0.000 -9.609) 11.876 4.486 ( 6.980 0.000 -9.609) 11.876 4.486 ( -6.980 0.000 9.609) 11.876 4.486 ( 6.980 0.000 9.609) 11.876 5.116 ( -6.374 0.000 -3.656) 7.348 5.116 ( 6.374 0.000 -3.656) 7.348 5.116 ( -6.374 0.000 3.656) 7.348 5.116 ( 6.374 0.000 3.656) 7.348 6.108 ( -7.535 0.000 -16.221) 17.886 6.108 ( 7.535 0.000 -16.221) 17.886 6.108 ( -7.535 0.000 16.221) 17.886 6.108 ( 7.535 0.000 16.221) 17.886 6.825 ( -13.590 0.000 -6.180) 14.929 6.825 ( 13.590 0.000 -6.180) 14.929 6.825 ( -13.590 0.000 6.180) 14.929 6.825 ( 13.590 0.000 6.180) 14.929 7.773 ( -8.712 0.000 -17.612) 19.649 7.773 ( 8.712 0.000 -17.612) 19.649 7.773 ( -8.712 0.000 17.612) 19.649 7.773 ( 8.712 0.000 17.612) 19.649 9.202 ( -6.823 0.000 -1.078) 6.908 9.202 ( -6.823 0.000 1.078) 6.908 9.202 ( 6.823 0.000 -1.078) 6.908 9.202 ( 6.823 0.000 1.078) 6.908 10.416 ( -20.461 0.000 -2.167) 20.576 10.416 ( -20.461 0.000 2.167) 20.576 10.416 ( 20.461 0.000 -2.167) 20.576 10.416 ( 20.461 0.000 2.167) 20.576 11.033 ( -7.526 0.000 -1.044) 7.598 11.033 ( -7.526 0.000 1.044) 7.598 11.033 ( 7.526 0.000 -1.044) 7.598 11.033 ( 7.526 0.000 1.044) 7.598 18.556 ( -1.687 0.000 -1.710) 2.402 18.556 ( 1.687 0.000 -1.710) 2.402 18.556 ( -1.687 0.000 1.710) 2.402 18.556 ( 1.687 0.000 1.710) 2.402 18.980 ( -1.316 0.000 -1.782) 2.215 18.980 ( 1.316 0.000 -1.782) 2.215 18.980 ( -1.316 0.000 1.782) 2.215 18.980 ( 1.316 0.000 1.782) 2.215 20.372 ( -6.196 0.000 -6.364) 8.882 20.372 ( 6.196 0.000 -6.364) 8.882 20.372 ( -6.196 0.000 6.364) 8.882 20.372 ( 6.196 0.000 6.364) 8.882 20.846 ( -0.724 0.000 -2.417) 2.523 20.846 ( 0.724 0.000 -2.417) 2.523 20.846 ( -0.724 0.000 2.417) 2.523 20.846 ( 0.724 0.000 2.417) 2.523 21.736 ( -4.142 0.000 -7.174) 8.284 21.736 ( 4.142 0.000 -7.174) 8.284 21.736 ( -4.142 0.000 7.174) 8.284 21.736 ( 4.142 0.000 7.174) 8.284 31.928 ( -0.510 0.000 -0.070) 0.515 31.928 ( -0.510 0.000 0.070) 0.515 31.928 ( 0.510 0.000 -0.070) 0.515 31.928 ( 0.510 0.000 0.070) 0.515 34.738 ( -0.024 0.000 -0.386) 0.386 34.738 ( 0.024 0.000 -0.386) 0.386 34.738 ( -0.024 0.000 0.386) 0.386 34.738 ( 0.024 0.000 0.386) 0.386 35.414 ( -1.967 0.000 -1.199) 2.304 35.414 ( 1.967 0.000 -1.199) 2.304 35.414 ( -1.967 0.000 1.199) 2.304 35.414 ( 1.967 0.000 1.199) 2.304 42.804 ( -28.060 0.000 -19.185) 33.992 42.804 ( 28.060 0.000 -19.185) 33.992 42.804 ( -28.060 0.000 19.185) 33.992 42.804 ( 28.060 0.000 19.185) 33.992 43.766 ( -6.750 0.000 -22.813) 23.790 43.766 ( 6.750 0.000 -22.813) 23.790 43.766 ( -6.750 0.000 22.813) 23.790 43.766 ( 6.750 0.000 22.813) 23.790 ======================= Grid point 270 (88/105) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 0.000 46.680 -8.312) 47.414 2.295 ( 0.000 46.680 8.312) 47.414 2.421 ( 0.000 10.610 -20.734) 23.291 2.421 ( 0.000 10.610 20.734) 23.291 3.148 ( 0.000 13.125 -3.586) 13.606 3.148 ( 0.000 13.125 3.586) 13.606 3.290 ( 0.000 14.392 -1.687) 14.490 3.290 ( 0.000 14.392 1.687) 14.490 3.675 ( 0.000 -4.875 -19.921) 20.509 3.675 ( 0.000 -4.875 19.921) 20.509 4.205 ( 0.000 26.965 -5.652) 27.551 4.205 ( 0.000 26.965 5.652) 27.551 4.398 ( 0.000 -9.670 -7.140) 12.020 4.398 ( 0.000 -9.670 7.140) 12.020 4.735 ( 0.000 12.826 -9.066) 15.707 4.735 ( 0.000 12.826 9.066) 15.707 5.134 ( 0.000 -2.354 -3.176) 3.953 5.134 ( 0.000 -2.354 3.176) 3.953 5.206 ( 0.000 -2.010 -1.169) 2.326 5.206 ( 0.000 -2.010 1.169) 2.326 5.859 ( 0.000 -1.074 -9.488) 9.549 5.859 ( 0.000 -1.074 9.488) 9.549 6.432 ( 0.000 -0.700 -5.368) 5.414 6.432 ( 0.000 -0.700 5.368) 5.414 6.438 ( 0.000 2.802 -7.228) 7.752 6.438 ( 0.000 2.802 7.228) 7.752 7.201 ( 0.000 -2.902 -7.017) 7.594 7.201 ( 0.000 -2.902 7.017) 7.594 7.536 ( 0.000 6.221 -15.651) 16.842 7.536 ( 0.000 6.221 15.651) 16.842 7.769 ( 0.000 -1.700 -7.910) 8.091 7.769 ( 0.000 -1.700 7.910) 8.091 9.159 ( 0.000 6.209 -4.130) 7.457 9.159 ( 0.000 6.209 4.130) 7.457 9.643 ( 0.000 7.754 -1.966) 7.999 9.643 ( 0.000 7.754 1.966) 7.999 9.692 ( 0.000 -0.087 -7.395) 7.395 9.692 ( 0.000 -0.087 7.395) 7.395 10.928 ( 0.000 -9.299 -1.807) 9.473 10.928 ( 0.000 -9.299 1.807) 9.473 10.947 ( 0.000 15.895 -1.046) 15.929 10.947 ( 0.000 15.895 1.046) 15.929 11.272 ( 0.000 11.565 -0.555) 11.578 11.272 ( 0.000 11.565 0.555) 11.578 18.096 ( 0.000 -36.101 -1.987) 36.156 18.096 ( 0.000 -36.101 1.987) 36.156 18.203 ( 0.000 -35.459 -0.789) 35.468 18.203 ( 0.000 -35.459 0.789) 35.468 18.942 ( 0.000 0.325 -2.387) 2.409 18.942 ( 0.000 0.325 2.387) 2.409 19.011 ( 0.000 0.123 -2.556) 2.559 19.011 ( 0.000 0.123 2.556) 2.559 20.431 ( 0.000 10.804 -12.407) 16.452 20.431 ( 0.000 10.804 12.407) 16.452 20.656 ( 0.000 -14.614 -0.886) 14.641 20.656 ( 0.000 -14.614 0.886) 14.641 20.717 ( 0.000 -13.289 -1.315) 13.353 20.717 ( 0.000 -13.289 1.315) 13.353 20.812 ( 0.000 10.036 -2.561) 10.358 20.812 ( 0.000 10.036 2.561) 10.358 21.877 ( 0.000 22.017 -6.095) 22.845 21.877 ( 0.000 22.017 6.095) 22.845 22.083 ( 0.000 20.910 -3.451) 21.193 22.083 ( 0.000 20.910 3.451) 21.193 31.484 ( 0.000 -38.914 -2.235) 38.978 31.484 ( 0.000 -38.914 2.235) 38.978 31.533 ( 0.000 -37.705 -1.982) 37.757 31.533 ( 0.000 -37.705 1.982) 37.757 34.958 ( 0.000 21.774 -1.656) 21.837 34.958 ( 0.000 21.774 1.656) 21.837 35.115 ( 0.000 35.505 -7.996) 36.394 35.115 ( 0.000 35.505 7.996) 36.394 35.724 ( 0.000 33.428 -3.922) 33.657 35.724 ( 0.000 33.428 3.922) 33.657 35.824 ( 0.000 32.768 -2.954) 32.901 35.824 ( 0.000 32.768 2.954) 32.901 41.811 ( 0.000 1.903 -0.979) 2.140 41.811 ( 0.000 1.903 0.979) 2.140 43.310 ( 0.000 -3.134 -7.529) 8.155 43.310 ( 0.000 -3.134 7.529) 8.155 43.625 ( 0.000 -1.263 -10.693) 10.768 43.625 ( 0.000 -1.263 10.693) 10.768 43.962 ( 0.000 -8.947 -42.832) 43.756 43.962 ( 0.000 -8.947 42.832) 43.756 ======================= Grid point 272 (89/105) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 6.785 23.419 -7.450) 25.495 2.304 ( 6.785 23.419 7.450) 25.495 2.708 ( 16.973 23.948 -4.451) 29.689 2.708 ( 16.973 23.948 4.451) 29.689 2.968 ( -13.926 10.199 -4.708) 17.891 2.968 ( -13.926 10.199 4.708) 17.891 3.338 ( 5.220 21.512 -4.637) 22.616 3.338 ( 5.220 21.512 4.637) 22.616 3.827 ( 6.447 0.142 -12.263) 13.855 3.827 ( 6.447 0.143 12.263) 13.855 3.913 ( -12.496 10.252 -6.299) 17.347 3.913 ( -12.496 10.252 6.299) 17.347 4.530 ( 1.415 5.158 -9.551) 10.947 4.530 ( 1.415 5.158 9.551) 10.947 4.711 ( -2.698 6.528 -6.028) 9.285 4.711 ( -2.698 6.528 6.028) 9.285 5.029 ( -5.400 -0.305 -2.742) 6.064 5.029 ( -5.400 -0.305 2.742) 6.064 5.176 ( -1.695 -1.588 -1.167) 2.599 5.176 ( -1.695 -1.588 1.167) 2.599 5.971 ( 8.143 1.137 -11.893) 14.459 5.971 ( 8.143 1.137 11.893) 14.459 6.330 ( -6.993 4.523 -11.238) 13.988 6.330 ( -6.993 4.523 11.238) 13.988 6.567 ( 9.788 -0.306 -0.131) 9.794 6.567 ( 9.788 -0.306 0.131) 9.794 7.114 ( -9.921 -0.772 -6.149) 11.698 7.114 ( -9.921 -0.772 6.149) 11.698 7.555 ( 5.832 2.058 -9.198) 11.083 7.555 ( 5.832 2.058 9.198) 11.083 7.812 ( 0.541 -3.132 -13.460) 13.830 7.812 ( 0.541 -3.132 13.460) 13.830 9.171 ( 1.941 6.658 -1.654) 7.130 9.171 ( 1.941 6.658 1.654) 7.130 9.448 ( -9.184 6.402 -3.134) 11.626 9.448 ( -9.184 6.402 3.134) 11.626 9.975 ( 16.734 -0.278 -4.832) 17.420 9.975 ( 16.734 -0.278 4.832) 17.420 10.738 ( -14.239 -6.977 -1.082) 15.893 10.738 ( -14.239 -6.977 1.082) 15.893 11.036 ( 5.941 15.233 -1.145) 16.391 11.036 ( 5.941 15.233 1.145) 16.391 11.263 ( -1.876 11.540 -0.841) 11.722 11.263 ( -1.876 11.540 0.841) 11.722 18.110 ( 1.263 -35.926 -1.799) 35.993 18.110 ( 1.263 -35.926 1.799) 35.993 18.186 ( -1.485 -35.442 -0.930) 35.485 18.186 ( -1.485 -35.442 0.930) 35.485 18.955 ( 1.116 0.221 -2.397) 2.654 18.955 ( 1.116 0.221 2.397) 2.654 19.004 ( -0.658 0.075 -2.514) 2.600 19.004 ( -0.658 0.075 2.514) 2.600 20.454 ( 2.275 9.877 -11.206) 15.110 20.454 ( 2.275 9.877 11.206) 15.110 20.631 ( -3.112 -7.250 -1.440) 8.020 20.631 ( -3.112 -7.250 1.440) 8.020 20.714 ( 0.357 -11.301 -1.632) 11.424 20.714 ( 0.357 -11.301 1.632) 11.424 20.781 ( -2.204 2.049 -1.920) 3.570 20.781 ( -2.204 2.049 1.920) 3.570 21.886 ( 1.007 22.226 -6.259) 23.112 21.886 ( 1.007 22.226 6.259) 23.112 22.021 ( -4.664 21.788 -4.766) 22.785 22.021 ( -4.664 21.788 4.766) 22.785 31.493 ( 0.779 -38.793 -2.156) 38.861 31.493 ( 0.779 -38.793 2.156) 38.861 31.528 ( -0.493 -37.927 -1.983) 37.982 31.528 ( -0.493 -37.927 1.983) 37.982 34.971 ( 1.226 23.025 -2.016) 23.145 34.971 ( 1.226 23.025 2.016) 23.145 35.077 ( -2.972 32.353 -6.065) 33.050 35.077 ( -2.972 32.353 6.065) 33.050 35.742 ( 1.503 33.356 -3.637) 33.587 35.742 ( 1.503 33.356 3.637) 33.587 35.813 ( -1.073 32.901 -2.988) 33.054 35.813 ( -1.073 32.901 2.988) 33.054 42.142 ( 27.226 0.295 -9.222) 28.747 42.142 ( 27.226 0.295 9.222) 28.747 43.203 ( -11.110 -2.904 -12.295) 16.823 43.203 ( -11.110 -2.904 12.295) 16.823 43.643 ( 1.942 -2.243 -13.070) 13.403 43.643 ( 1.942 -2.243 13.070) 13.403 43.869 ( -7.325 -7.643 -35.911) 37.439 43.869 ( -7.325 -7.643 35.911) 37.439 ======================= Grid point 274 (90/105) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -15.021 10.623 -9.158) 20.551 2.570 ( 7.991 10.623 -8.118) 15.575 2.570 ( -7.991 10.623 8.118) 15.575 2.570 ( 15.021 10.623 9.158) 20.551 3.170 ( -17.445 29.298 -4.685) 34.419 3.170 ( -10.762 29.298 -1.003) 31.228 3.170 ( 10.762 29.298 1.003) 31.228 3.170 ( 17.445 29.298 4.685) 34.419 3.875 ( -5.737 0.381 -5.577) 8.010 3.875 ( 4.919 0.381 -5.489) 7.381 3.875 ( -4.919 0.381 5.489) 7.381 3.875 ( 5.737 0.381 5.577) 8.010 4.557 ( -4.686 8.079 -9.871) 13.589 4.557 ( 3.625 8.079 -9.822) 13.224 4.557 ( -3.625 8.079 9.822) 13.224 4.557 ( 4.686 8.079 9.871) 13.589 5.086 ( -6.087 -1.978 -2.514) 6.876 5.086 ( 2.211 -1.978 -1.657) 3.398 5.086 ( -2.211 -1.978 1.657) 3.398 5.086 ( 6.087 -1.978 2.514) 6.876 6.156 ( -8.271 4.901 -15.312) 18.081 6.156 ( 7.976 4.901 -15.295) 17.933 6.156 ( -7.976 4.901 15.295) 17.933 6.156 ( 8.271 4.901 15.312) 18.081 6.835 ( -12.797 0.480 -6.299) 14.272 6.835 ( 1.403 0.480 -4.658) 4.889 6.835 ( -1.403 0.480 4.658) 4.889 6.835 ( 12.797 0.480 6.299) 14.272 7.731 ( -6.930 -2.946 -15.256) 17.013 7.731 ( 6.322 -2.946 -15.227) 16.748 7.731 ( -6.322 -2.946 15.227) 16.748 7.731 ( 6.930 -2.946 15.256) 17.013 9.268 ( -6.607 6.888 -1.841) 9.720 9.268 ( -3.678 6.888 -0.204) 7.811 9.268 ( 3.678 6.888 0.204) 7.811 9.268 ( 6.607 6.888 1.841) 9.720 10.368 ( -18.686 -4.199 -3.280) 19.431 10.368 ( -18.668 -4.199 3.269) 19.412 10.368 ( 18.668 -4.199 -3.269) 19.412 10.368 ( 18.686 -4.199 3.280) 19.431 11.175 ( -4.950 13.819 -2.519) 14.893 11.175 ( -1.362 13.819 -1.957) 14.023 11.175 ( 1.362 13.819 1.957) 14.023 11.175 ( 4.950 13.819 2.519) 14.893 18.147 ( -1.855 -35.592 -1.440) 35.669 18.147 ( 1.517 -35.592 -1.395) 35.652 18.147 ( -1.517 -35.592 1.395) 35.652 18.147 ( 1.855 -35.592 1.440) 35.669 18.983 ( -1.261 0.077 -2.442) 2.750 18.983 ( 1.261 0.077 -2.442) 2.749 18.983 ( -1.261 0.077 2.442) 2.749 18.983 ( 1.261 0.077 2.442) 2.750 20.533 ( -4.747 5.563 -7.337) 10.360 20.533 ( 4.626 5.563 -7.328) 10.298 20.533 ( -4.626 5.563 7.329) 10.298 20.533 ( 4.747 5.563 7.337) 10.360 20.738 ( -1.658 -8.624 -1.221) 8.866 20.738 ( 1.635 -8.624 -1.217) 8.862 20.738 ( -1.635 -8.624 1.217) 8.862 20.738 ( 1.658 -8.624 1.221) 8.866 21.930 ( -3.105 22.465 -6.526) 23.599 21.930 ( 3.008 22.465 -6.521) 23.585 21.930 ( -3.008 22.465 6.521) 23.585 21.930 ( 3.105 22.465 6.526) 23.599 31.512 ( -0.723 -38.406 -2.597) 38.500 31.512 ( 0.645 -38.406 -2.595) 38.499 31.512 ( -0.645 -38.406 2.595) 38.499 31.512 ( 0.723 -38.406 2.597) 38.500 35.013 ( -2.500 26.820 -3.602) 27.176 35.013 ( 2.325 26.820 -3.589) 27.158 35.013 ( -2.325 26.820 3.589) 27.158 35.013 ( 2.500 26.820 3.602) 27.176 35.780 ( -1.453 33.143 -4.261) 33.447 35.780 ( 1.227 33.143 -4.253) 33.437 35.780 ( -1.227 33.143 4.253) 33.437 35.780 ( 1.453 33.143 4.261) 33.447 42.782 ( -27.256 -2.221 -18.333) 32.923 42.782 ( 26.623 -2.221 -18.229) 32.342 42.782 ( -26.623 -2.221 18.229) 32.342 42.782 ( 27.256 -2.221 18.333) 32.923 43.720 ( -5.350 -4.555 -21.000) 22.145 43.720 ( 5.349 -4.555 -21.000) 22.144 43.720 ( -5.349 -4.555 21.000) 22.144 43.720 ( 5.350 -4.555 21.000) 22.145 ======================= Grid point 280 (91/105) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 0.000 15.145 -11.498) 19.016 2.685 ( 0.000 15.145 11.498) 19.016 2.820 ( 0.000 9.040 -6.388) 11.069 2.820 ( 0.000 9.040 6.388) 11.069 3.371 ( 0.000 4.873 -3.149) 5.802 3.371 ( 0.000 4.873 3.149) 5.802 3.553 ( 0.000 -7.276 -13.766) 15.571 3.553 ( 0.000 -7.276 13.766) 15.571 3.743 ( 0.000 29.711 -9.019) 31.049 3.743 ( 0.000 29.711 9.019) 31.049 4.132 ( 0.000 -15.583 -13.259) 20.461 4.132 ( 0.000 -15.583 13.259) 20.461 4.751 ( 0.000 23.549 -13.070) 26.933 4.751 ( 0.000 23.549 13.070) 26.933 4.977 ( 0.000 -10.419 -2.403) 10.693 4.977 ( 0.000 -10.419 2.403) 10.693 5.274 ( 0.000 36.150 -5.910) 36.629 5.274 ( 0.000 36.150 5.910) 36.629 5.292 ( 0.000 7.352 -4.464) 8.601 5.292 ( 0.000 7.352 4.464) 8.601 5.831 ( 0.000 1.650 -9.788) 9.926 5.831 ( 0.000 1.650 9.788) 9.926 6.406 ( 0.000 -1.638 -5.968) 6.189 6.406 ( 0.000 -1.638 5.968) 6.189 6.565 ( 0.000 11.000 -14.406) 18.125 6.565 ( 0.000 11.000 14.406) 18.125 7.135 ( 0.000 -3.340 -12.267) 12.714 7.135 ( 0.000 -3.340 12.267) 12.714 7.736 ( 0.000 14.332 -10.564) 17.805 7.736 ( 0.000 14.332 10.564) 17.805 7.745 ( 0.000 -0.463 -10.585) 10.595 7.745 ( 0.000 -0.463 10.585) 10.595 9.403 ( 0.000 20.271 -2.162) 20.386 9.403 ( 0.000 20.271 2.162) 20.386 9.682 ( 0.000 -1.004 -8.359) 8.419 9.682 ( 0.000 -1.004 8.359) 8.419 9.897 ( 0.000 19.539 -2.956) 19.762 9.897 ( 0.000 19.539 2.956) 19.762 10.713 ( 0.000 -10.418 -3.352) 10.944 10.713 ( 0.000 -10.418 3.352) 10.944 11.298 ( 0.000 18.815 -1.299) 18.859 11.298 ( 0.000 18.815 1.299) 18.859 11.639 ( 0.000 25.816 -4.515) 26.208 11.639 ( 0.000 25.816 4.515) 26.208 17.299 ( 0.000 -43.807 -1.156) 43.823 17.299 ( 0.000 -43.807 1.156) 43.823 17.428 ( 0.000 -41.601 -1.452) 41.626 17.428 ( 0.000 -41.601 1.452) 41.626 18.916 ( 0.000 -4.575 -3.071) 5.510 18.916 ( 0.000 -4.575 3.071) 5.510 18.985 ( 0.000 -4.195 -3.349) 5.368 18.985 ( 0.000 -4.195 3.349) 5.368 20.275 ( 0.000 -22.815 -1.402) 22.858 20.275 ( 0.000 -22.815 1.402) 22.858 20.355 ( 0.000 -22.431 -1.174) 22.462 20.355 ( 0.000 -22.431 1.174) 22.462 20.522 ( 0.000 -0.889 -15.348) 15.374 20.522 ( 0.000 -0.889 15.348) 15.374 20.799 ( 0.000 -9.017 -8.747) 12.563 20.799 ( 0.000 -9.017 8.747) 12.563 22.526 ( 0.000 43.130 -5.481) 43.477 22.526 ( 0.000 43.130 5.481) 43.477 22.769 ( 0.000 45.170 -1.620) 45.199 22.769 ( 0.000 45.170 1.620) 45.199 30.574 ( 0.000 -51.774 -3.075) 51.866 30.574 ( 0.000 -51.774 3.075) 51.866 30.640 ( 0.000 -51.267 -2.661) 51.336 30.640 ( 0.000 -51.267 2.661) 51.336 35.527 ( 0.000 34.995 -5.972) 35.501 35.527 ( 0.000 34.995 5.972) 35.501 35.959 ( 0.000 47.125 -22.084) 52.042 35.959 ( 0.000 47.125 22.084) 52.042 36.468 ( 0.000 39.694 -4.607) 39.961 36.468 ( 0.000 39.694 4.607) 39.961 36.559 ( 0.000 39.563 -3.855) 39.750 36.559 ( 0.000 39.563 3.855) 39.750 41.872 ( 0.000 4.519 -1.214) 4.679 41.872 ( 0.000 4.519 1.214) 4.679 43.230 ( 0.000 -4.973 -3.681) 6.187 43.230 ( 0.000 -4.973 3.681) 6.187 43.581 ( 0.000 -3.370 -7.516) 8.237 43.581 ( 0.000 -3.370 7.516) 8.237 43.728 ( 0.000 -14.315 -37.349) 39.999 43.728 ( 0.000 -14.315 37.349) 39.999 ======================= Grid point 282 (92/105) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -0.382 11.342 -9.621) 14.878 2.595 ( -0.382 11.342 9.621) 14.878 2.968 ( -4.635 5.877 -7.306) 10.459 2.968 ( -4.635 5.877 7.306) 10.459 3.203 ( 4.501 4.961 -9.695) 11.784 3.203 ( 4.501 4.961 9.695) 11.784 3.673 ( 1.114 -3.396 -1.349) 3.820 3.673 ( 1.114 -3.396 1.349) 3.820 3.875 ( 8.017 17.499 -8.665) 21.109 3.875 ( 8.017 17.499 8.665) 21.109 4.081 ( -1.918 1.006 -15.774) 15.922 4.081 ( -1.918 1.006 15.774) 15.922 4.716 ( -1.789 10.738 -10.708) 15.269 4.716 ( -1.789 10.738 10.708) 15.269 4.992 ( -0.833 6.433 -1.345) 6.624 4.992 ( -0.833 6.433 1.345) 6.625 5.067 ( -6.799 12.604 -2.527) 14.542 5.067 ( -6.799 12.604 2.527) 14.542 5.305 ( -5.204 21.154 -1.168) 21.816 5.305 ( -5.204 21.154 1.168) 21.816 6.017 ( 13.676 4.701 -3.038) 14.777 6.017 ( 13.676 4.701 3.038) 14.777 6.462 ( -2.081 7.263 -7.709) 10.794 6.462 ( -2.081 7.263 7.709) 10.794 6.564 ( 6.619 2.500 -7.606) 10.388 6.564 ( 6.619 2.500 7.606) 10.388 7.070 ( -7.187 -3.198 -3.990) 8.821 7.070 ( -7.187 -3.198 3.990) 8.821 7.673 ( -0.297 8.978 -5.036) 10.298 7.673 ( -0.297 8.978 5.036) 10.298 7.791 ( -0.317 3.172 -8.897) 9.451 7.791 ( -0.317 3.172 8.897) 9.451 9.408 ( 1.288 18.458 -0.966) 18.528 9.408 ( 1.288 18.458 0.966) 18.528 9.615 ( -5.679 9.175 -5.509) 12.115 9.615 ( -5.679 9.175 5.509) 12.115 10.023 ( 10.642 8.559 -3.737) 14.159 10.023 ( 10.642 8.559 3.737) 14.159 10.578 ( -10.925 -7.103 -2.918) 13.354 10.578 ( -10.925 -7.103 2.918) 13.354 11.388 ( 6.720 19.568 -2.180) 20.804 11.388 ( 6.720 19.568 2.180) 20.804 11.617 ( -2.295 24.462 -3.926) 24.881 11.617 ( -2.295 24.462 3.926) 24.881 17.318 ( 1.661 -43.424 -1.113) 43.470 17.318 ( 1.661 -43.424 1.113) 43.470 17.409 ( -1.649 -41.862 -1.348) 41.916 17.409 ( -1.649 -41.862 1.348) 41.916 18.928 ( 1.022 -4.572 -3.102) 5.618 18.928 ( 1.022 -4.572 3.102) 5.618 18.977 ( -0.749 -4.308 -3.301) 5.478 18.977 ( -0.749 -4.308 3.301) 5.478 20.283 ( 0.722 -22.292 -1.515) 22.356 20.283 ( 0.722 -22.292 1.515) 22.356 20.337 ( -1.394 -21.449 -1.470) 21.545 20.337 ( -1.394 -21.449 1.470) 21.545 20.559 ( 3.151 -2.720 -14.042) 14.646 20.559 ( 3.151 -2.720 14.042) 14.646 20.752 ( -4.043 -7.802 -9.801) 13.163 20.752 ( -4.043 -7.802 9.801) 13.163 22.546 ( 1.946 43.667 -5.357) 44.038 22.546 ( 1.946 43.667 5.357) 44.038 22.714 ( -4.455 45.343 -2.754) 45.644 22.714 ( -4.455 45.343 2.754) 45.644 30.585 ( 0.919 -51.748 -2.996) 51.843 30.585 ( 0.919 -51.748 2.996) 51.843 30.631 ( -0.772 -51.385 -2.701) 51.462 30.631 ( -0.772 -51.385 2.701) 51.462 35.567 ( 3.755 36.352 -7.115) 37.232 35.567 ( 3.755 36.352 7.115) 37.232 35.862 ( -7.658 44.814 -17.638) 48.765 35.862 ( -7.658 44.814 17.638) 48.765 36.484 ( 1.366 39.612 -4.325) 39.871 36.484 ( 1.366 39.612 4.325) 39.871 36.549 ( -0.957 39.596 -3.806) 39.790 36.549 ( -0.957 39.596 3.806) 39.790 42.158 ( 23.646 1.549 -7.678) 24.910 42.158 ( 23.646 1.549 7.678) 24.910 43.124 ( -10.997 -5.079 -9.758) 15.555 43.124 ( -10.997 -5.079 9.758) 15.555 43.577 ( 0.039 -4.670 -9.742) 10.803 43.577 ( 0.039 -4.670 9.742) 10.803 43.673 ( -3.983 -11.697 -29.008) 31.530 43.673 ( -3.983 -11.697 29.008) 31.530 ======================= Grid point 284 (93/105) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -9.516 6.505 -11.233) 16.095 2.716 ( 6.736 6.505 -11.007) 14.452 2.716 ( -6.736 6.505 11.007) 14.452 2.716 ( 9.516 6.505 11.233) 16.095 3.494 ( -14.623 -0.168 -5.629) 15.670 3.494 ( 10.762 -0.168 -4.560) 11.690 3.494 ( -10.762 -0.168 4.560) 11.690 3.494 ( 14.623 -0.168 5.629) 15.670 4.030 ( -5.515 10.666 -13.059) 17.740 4.030 ( 5.270 10.666 -13.047) 17.657 4.030 ( -5.270 10.666 13.047) 17.657 4.030 ( 5.515 10.666 13.059) 17.740 4.796 ( -6.972 11.298 -6.577) 14.816 4.796 ( 0.297 11.298 -6.153) 12.868 4.796 ( -0.297 11.298 6.153) 12.868 4.796 ( 6.972 11.298 6.577) 14.816 5.152 ( -7.339 13.806 -3.854) 16.103 5.152 ( 5.756 13.806 -3.543) 15.371 5.152 ( -5.756 13.806 3.543) 15.371 5.152 ( 7.339 13.806 3.854) 16.103 6.297 ( -9.782 9.109 -9.668) 16.497 6.297 ( 6.449 9.109 -9.352) 14.561 6.297 ( -6.449 9.109 9.352) 14.561 6.297 ( 9.782 9.109 9.668) 16.497 6.826 ( -12.186 -1.107 -3.647) 12.768 6.826 ( -7.669 -1.107 -1.826) 7.960 6.826 ( 7.669 -1.107 1.826) 7.960 6.826 ( 12.186 -1.107 3.647) 12.768 7.732 ( -2.224 4.484 -10.931) 12.023 7.732 ( 1.341 4.484 -10.915) 11.876 7.732 ( -1.341 4.484 10.915) 11.876 7.732 ( 2.224 4.484 10.931) 12.023 9.482 ( -4.278 15.175 -3.488) 16.148 9.482 ( 0.324 15.175 -3.185) 15.509 9.482 ( -0.324 15.175 3.185) 15.509 9.482 ( 4.278 15.175 3.488) 16.148 10.300 ( -13.777 -0.549 -3.461) 14.216 10.300 ( -13.694 -0.549 3.424) 14.126 10.300 ( 13.694 -0.549 -3.424) 14.126 10.300 ( 13.777 -0.549 3.461) 14.216 11.531 ( -4.826 21.971 -4.369) 22.915 11.531 ( 2.218 21.971 -4.129) 22.465 11.531 ( -2.218 21.971 4.129) 22.465 11.531 ( 4.826 21.971 4.369) 22.915 17.364 ( -1.831 -42.582 -1.864) 42.662 17.364 ( 0.547 -42.582 -1.771) 42.622 17.364 ( -0.547 -42.582 1.771) 42.622 17.364 ( 1.831 -42.582 1.864) 42.662 18.955 ( -1.234 -4.494 -3.254) 5.684 18.955 ( 1.221 -4.494 -3.254) 5.681 18.955 ( -1.221 -4.494 3.254) 5.681 18.955 ( 1.234 -4.494 3.254) 5.684 20.306 ( -1.253 -21.391 -1.817) 21.505 20.306 ( 1.107 -21.391 -1.806) 21.496 20.306 ( -1.107 -21.391 1.806) 21.496 20.306 ( 1.253 -21.391 1.817) 21.505 20.649 ( -4.845 -5.279 -12.144) 14.100 20.649 ( 4.811 -5.279 -12.142) 14.087 20.649 ( -4.811 -5.279 12.142) 14.087 20.649 ( 4.845 -5.279 12.144) 14.100 22.613 ( -4.028 44.815 -4.883) 45.260 22.613 ( 3.693 44.815 -4.853) 45.228 22.613 ( -3.693 44.815 4.853) 45.228 22.613 ( 4.028 44.815 4.883) 45.260 30.609 ( -1.034 -51.610 -3.366) 51.730 30.609 ( 0.950 -51.610 -3.364) 51.728 30.609 ( -0.950 -51.610 3.364) 51.728 30.609 ( 1.034 -51.610 3.366) 51.730 35.689 ( -7.266 40.125 -11.094) 42.260 35.689 ( 7.183 40.125 -11.088) 42.244 35.689 ( -7.183 40.125 11.088) 42.244 35.689 ( 7.266 40.125 11.094) 42.260 36.519 ( -1.072 39.577 -6.801) 40.171 36.519 ( 0.887 39.577 -6.798) 40.166 36.519 ( -0.887 39.577 6.798) 40.166 36.519 ( 1.072 39.577 6.801) 40.171 42.724 ( -24.705 -3.438 -15.879) 29.569 42.724 ( 22.769 -3.438 -15.554) 27.789 42.724 ( -22.769 -3.438 15.554) 27.789 42.724 ( 24.705 -3.438 15.879) 29.569 43.601 ( -2.213 -7.369 -16.581) 18.279 43.601 ( 2.199 -7.369 -16.581) 18.277 43.601 ( -2.199 -7.369 16.581) 18.277 43.601 ( 2.213 -7.369 16.581) 18.279 ======================= Grid point 290 (94/105) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 0.000 3.460 -5.269) 6.304 2.914 ( 0.000 3.460 5.269) 6.304 2.950 ( 0.000 10.773 -2.677) 11.101 2.950 ( 0.000 10.773 2.677) 11.101 3.402 ( 0.000 -0.263 -4.724) 4.732 3.402 ( 0.000 -0.263 4.724) 4.732 3.421 ( 0.000 -5.103 -6.179) 8.014 3.421 ( 0.000 -5.103 6.179) 8.014 3.874 ( 0.000 -9.918 -16.653) 19.383 3.874 ( 0.000 -9.918 16.653) 19.383 4.153 ( 0.000 12.723 -6.991) 14.517 4.153 ( 0.000 12.723 6.991) 14.517 4.788 ( 0.000 -8.010 -5.497) 9.715 4.788 ( 0.000 -8.010 5.497) 9.715 5.083 ( 0.000 7.983 -15.314) 17.270 5.083 ( 0.000 7.983 15.314) 17.270 5.421 ( 0.000 4.868 -4.068) 6.344 5.421 ( 0.000 4.868 4.068) 6.344 5.550 ( 0.000 -0.283 -6.908) 6.914 5.550 ( 0.000 -0.283 6.908) 6.914 6.142 ( 0.000 18.426 -3.478) 18.751 6.142 ( 0.000 18.426 3.478) 18.751 6.389 ( 0.000 0.367 -8.845) 8.852 6.389 ( 0.000 0.367 8.845) 8.852 6.879 ( 0.000 20.493 -13.309) 24.436 6.879 ( 0.000 20.493 13.309) 24.436 7.091 ( 0.000 -0.698 -15.848) 15.864 7.091 ( 0.000 -0.698 15.848) 15.864 7.751 ( 0.000 0.926 -11.512) 11.549 7.751 ( 0.000 0.926 11.512) 11.549 8.043 ( 0.000 14.951 -6.634) 16.357 8.043 ( 0.000 14.951 6.634) 16.357 9.654 ( 0.000 -1.816 -8.282) 8.479 9.654 ( 0.000 -1.816 8.282) 8.479 9.811 ( 0.000 9.189 -4.314) 10.151 9.811 ( 0.000 9.189 4.314) 10.151 10.473 ( 0.000 44.155 -1.424) 44.178 10.473 ( 0.000 44.155 1.424) 44.178 10.778 ( 0.000 27.904 -1.166) 27.928 10.778 ( 0.000 27.904 1.166) 27.928 11.683 ( 0.000 21.242 -0.769) 21.256 11.683 ( 0.000 21.242 0.769) 21.256 12.208 ( 0.000 31.079 -6.693) 31.791 12.208 ( 0.000 31.079 6.693) 31.791 16.442 ( 0.000 -43.499 -1.566) 43.527 16.442 ( 0.000 -43.499 1.566) 43.527 16.642 ( 0.000 -38.666 -2.586) 38.752 16.642 ( 0.000 -38.666 2.586) 38.752 18.652 ( 0.000 -25.879 -1.991) 25.956 18.652 ( 0.000 -25.879 1.991) 25.956 18.739 ( 0.000 -24.848 -2.836) 25.010 18.739 ( 0.000 -24.848 2.836) 25.010 19.892 ( 0.000 -13.075 -4.344) 13.778 19.892 ( 0.000 -13.075 4.344) 13.778 19.958 ( 0.000 -14.739 -4.341) 15.365 19.958 ( 0.000 -14.739 4.341) 15.365 20.445 ( 0.000 -6.043 -16.075) 17.173 20.445 ( 0.000 -6.043 16.075) 17.173 20.580 ( 0.000 -11.907 -13.343) 17.883 20.580 ( 0.000 -11.907 13.343) 17.883 23.455 ( 0.000 50.824 -4.901) 51.059 23.455 ( 0.000 50.824 4.901) 51.059 23.711 ( 0.000 50.272 -0.778) 50.278 23.711 ( 0.000 50.272 0.778) 50.278 29.542 ( 0.000 -53.564 -2.968) 53.646 29.542 ( 0.000 -53.564 2.968) 53.646 29.612 ( 0.000 -53.579 -2.716) 53.648 29.612 ( 0.000 -53.579 2.716) 53.648 36.248 ( 0.000 37.616 -9.864) 38.887 36.248 ( 0.000 37.616 9.864) 38.887 36.826 ( 0.000 40.358 -28.770) 49.563 36.826 ( 0.000 40.358 28.770) 49.563 37.178 ( 0.000 32.069 -4.818) 32.429 37.178 ( 0.000 32.069 4.818) 32.429 37.276 ( 0.000 32.897 -4.641) 33.222 37.276 ( 0.000 32.897 4.641) 33.222 41.992 ( 0.000 8.001 -1.237) 8.096 41.992 ( 0.000 8.001 1.237) 8.096 43.123 ( 0.000 -5.963 -2.136) 6.334 43.123 ( 0.000 -5.963 2.136) 6.334 43.441 ( 0.000 -14.338 -30.231) 33.458 43.441 ( 0.000 -14.338 30.231) 33.458 43.492 ( 0.000 -5.729 -5.322) 7.820 43.492 ( 0.000 -5.729 5.322) 7.820 ======================= Grid point 292 (95/105) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -2.258 8.082 -6.537) 10.637 2.782 ( -2.258 8.081 6.537) 10.637 3.102 ( -10.453 7.520 -5.841) 14.140 3.102 ( -10.453 7.520 5.841) 14.140 3.204 ( 7.793 -1.186 -7.838) 11.116 3.204 ( 7.793 -1.186 7.838) 11.116 3.526 ( -0.582 -7.610 -4.143) 8.684 3.526 ( -0.581 -7.610 4.143) 8.684 3.919 ( 5.377 -5.901 -17.071) 18.845 3.919 ( 5.377 -5.901 17.071) 18.845 4.213 ( 0.835 6.192 -8.173) 10.287 4.213 ( 0.835 6.192 8.173) 10.287 4.739 ( 0.710 -2.554 -5.641) 6.233 4.739 ( 0.710 -2.554 5.641) 6.233 5.118 ( -5.441 1.679 -5.134) 7.667 5.118 ( -5.441 1.679 5.134) 7.667 5.296 ( 2.865 11.171 -7.387) 13.695 5.296 ( 2.865 11.171 7.387) 13.695 5.665 ( -1.409 8.904 -3.546) 9.687 5.665 ( -1.409 8.904 3.546) 9.687 6.153 ( 7.367 5.302 -8.728) 12.592 6.153 ( 7.367 5.302 8.728) 12.592 6.539 ( 8.890 4.460 -3.658) 10.597 6.539 ( 8.890 4.460 3.658) 10.597 6.765 ( -7.809 12.582 -13.494) 20.034 6.765 ( -7.809 12.582 13.494) 20.034 7.043 ( -5.572 2.353 -10.435) 12.061 7.043 ( -5.572 2.353 10.435) 12.061 7.788 ( 3.637 4.759 -8.300) 10.236 7.788 ( 3.637 4.759 8.300) 10.236 8.005 ( -3.598 14.017 -6.413) 15.829 8.005 ( -3.598 14.017 6.413) 15.829 9.668 ( 1.450 0.485 -8.058) 8.201 9.668 ( 1.450 0.485 8.058) 8.201 9.787 ( -2.329 6.208 -5.260) 8.463 9.787 ( -2.329 6.208 5.260) 8.463 10.495 ( 2.383 43.025 -0.777) 43.098 10.495 ( 2.383 43.025 0.777) 43.098 10.709 ( -5.405 30.565 -1.069) 31.058 10.709 ( -5.405 30.565 1.069) 31.058 11.794 ( 8.860 22.484 -2.487) 24.294 11.794 ( 8.860 22.484 2.487) 24.294 12.154 ( -4.933 29.452 -6.279) 30.515 12.154 ( -4.933 29.452 6.279) 30.515 16.473 ( 2.652 -42.717 -1.728) 42.834 16.473 ( 2.652 -42.717 1.728) 42.834 16.614 ( -2.483 -39.313 -2.454) 39.468 16.614 ( -2.483 -39.313 2.454) 39.468 18.666 ( 1.206 -25.735 -2.110) 25.849 18.666 ( 1.206 -25.735 2.110) 25.849 18.728 ( -1.022 -25.007 -2.708) 25.174 18.728 ( -1.022 -25.007 2.708) 25.174 19.901 ( 0.851 -13.263 -4.352) 13.985 19.901 ( 0.851 -13.263 4.352) 13.985 19.948 ( -0.839 -14.438 -4.333) 15.097 19.948 ( -0.839 -14.438 4.333) 15.097 20.461 ( 1.415 -6.747 -15.746) 17.189 20.461 ( 1.415 -6.747 15.746) 17.189 20.556 ( -2.033 -10.883 -13.820) 17.708 20.556 ( -2.033 -10.883 13.820) 17.708 23.482 ( 2.513 50.995 -4.609) 51.265 23.482 ( 2.513 50.995 4.609) 51.265 23.662 ( -4.127 50.696 -1.755) 50.894 23.662 ( -4.127 50.696 1.755) 50.894 29.553 ( 0.922 -53.599 -2.921) 53.686 29.553 ( 0.922 -53.599 2.921) 53.686 29.602 ( -0.881 -53.608 -2.741) 53.686 29.602 ( -0.881 -53.608 2.741) 53.686 36.307 ( 5.476 38.155 -11.438) 40.207 36.307 ( 5.476 38.155 11.438) 40.207 36.706 ( -9.685 40.193 -24.021) 47.815 36.706 ( -9.685 40.193 24.021) 47.815 37.195 ( 1.428 32.250 -4.812) 32.639 37.195 ( 1.428 32.250 4.812) 32.639 37.266 ( -1.038 32.819 -4.512) 33.144 37.266 ( -1.038 32.819 4.512) 33.144 42.212 ( 18.307 4.235 -5.623) 19.613 42.212 ( 18.307 4.235 5.623) 19.613 43.013 ( -10.785 -6.099 -7.678) 14.577 43.013 ( -10.785 -6.099 7.678) 14.577 43.426 ( -0.246 -11.155 -17.651) 20.881 43.426 ( -0.246 -11.155 17.651) 20.881 43.481 ( -1.204 -6.966 -5.649) 9.050 43.481 ( -1.204 -6.966 5.649) 9.050 ======================= Grid point 294 (96/105) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -7.469 7.497 -9.105) 13.960 2.852 ( 5.431 7.497 -8.943) 12.871 2.852 ( -5.431 7.497 8.943) 12.871 2.852 ( 7.469 7.497 9.105) 13.960 3.416 ( -8.238 -4.482 -4.746) 10.511 3.416 ( 6.058 -4.482 -4.366) 8.710 3.416 ( -6.058 -4.482 4.366) 8.710 3.416 ( 8.238 -4.482 4.746) 10.511 4.095 ( -9.093 -2.158 -14.076) 16.896 4.095 ( 8.894 -2.158 -14.062) 16.778 4.095 ( -8.894 -2.158 14.062) 16.778 4.095 ( 9.093 -2.158 14.076) 16.896 4.897 ( -11.114 1.997 -4.118) 12.020 4.897 ( 3.863 1.997 -2.211) 4.879 4.897 ( -3.863 1.997 2.211) 4.879 4.897 ( 11.114 1.997 4.118) 12.020 5.491 ( -10.992 13.559 -4.417) 18.005 5.491 ( 10.634 13.559 -4.319) 17.764 5.491 ( -10.634 13.559 4.319) 17.764 5.491 ( 10.992 13.559 4.417) 18.005 6.431 ( -14.257 2.491 -7.434) 16.270 6.431 ( 14.256 2.491 -7.434) 16.269 6.431 ( -14.256 2.491 7.434) 16.269 6.431 ( 14.257 2.491 7.434) 16.270 6.851 ( -9.736 4.797 -6.177) 12.488 6.851 ( 2.647 4.797 -5.329) 7.643 6.851 ( -2.647 4.797 5.329) 7.643 6.851 ( 9.736 4.797 6.177) 12.488 7.897 ( -4.908 10.700 -7.733) 14.085 7.897 ( 3.711 10.700 -7.658) 13.672 7.897 ( -3.711 10.700 7.658) 13.672 7.897 ( 4.908 10.700 7.733) 14.085 9.720 ( -3.178 3.395 -7.319) 8.671 9.720 ( 3.112 3.395 -7.316) 8.645 9.720 ( -3.112 3.395 7.316) 8.645 9.720 ( 3.178 3.395 7.319) 8.671 10.583 ( -5.450 37.176 -0.565) 37.578 10.583 ( -5.333 37.176 0.423) 37.559 10.583 ( 5.333 37.176 -0.423) 37.559 10.583 ( 5.450 37.176 0.565) 37.578 12.000 ( -8.981 25.787 -4.986) 27.757 12.000 ( 8.577 25.787 -4.906) 27.615 12.000 ( -8.577 25.787 4.906) 27.615 12.000 ( 8.981 25.787 4.986) 27.757 16.545 ( -3.231 -40.948 -2.641) 41.160 16.545 ( 1.705 -40.948 -2.477) 41.058 16.545 ( -1.705 -40.948 2.477) 41.058 16.545 ( 3.231 -40.948 2.641) 41.160 18.698 ( -1.572 -25.378 -2.404) 25.540 18.698 ( 1.571 -25.378 -2.404) 25.540 18.698 ( -1.571 -25.378 2.404) 25.540 18.698 ( 1.572 -25.378 2.404) 25.540 19.925 ( -1.120 -13.793 -4.698) 14.615 19.925 ( 1.090 -13.793 -4.697) 14.612 19.925 ( -1.090 -13.793 4.697) 14.612 19.925 ( 1.120 -13.793 4.698) 14.615 20.504 ( -2.430 -8.654 -14.934) 17.430 20.504 ( 2.427 -8.654 -14.934) 17.430 20.504 ( -2.427 -8.654 14.934) 17.430 20.504 ( 2.430 -8.654 14.934) 17.430 23.561 ( -4.575 51.134 -3.538) 51.460 23.561 ( 4.529 51.134 -3.531) 51.456 23.561 ( -4.529 51.134 3.531) 51.456 23.561 ( 4.575 51.134 3.538) 51.460 29.578 ( -1.147 -53.635 -3.215) 53.743 29.578 ( 1.067 -53.635 -3.212) 53.741 29.578 ( -1.067 -53.635 3.212) 53.741 29.578 ( 1.147 -53.635 3.215) 53.743 36.479 ( -9.991 39.352 -16.420) 43.795 36.479 ( 9.966 39.352 -16.418) 43.788 36.479 ( -9.966 39.352 16.418) 43.788 36.479 ( 9.991 39.352 16.420) 43.795 37.233 ( -1.053 32.561 -8.906) 33.774 37.233 ( 0.867 32.561 -8.904) 33.768 37.233 ( -0.867 32.561 8.904) 33.768 37.233 ( 1.053 32.561 8.906) 33.774 42.662 ( -20.278 -2.607 -12.179) 23.798 42.662 ( 17.739 -2.607 -11.730) 21.426 42.662 ( -17.739 -2.607 11.730) 21.426 42.662 ( 20.278 -2.607 12.179) 23.798 43.446 ( -1.192 -8.321 -11.659) 14.373 43.446 ( 1.098 -8.321 -11.658) 14.365 43.446 ( -1.098 -8.321 11.658) 14.365 43.446 ( 1.192 -8.321 11.659) 14.373 ======================= Grid point 300 (97/105) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 0.000 4.644 -3.931) 6.084 2.991 ( 0.000 4.644 3.931) 6.084 3.104 ( 0.000 6.582 -5.060) 8.302 3.104 ( 0.000 6.582 5.060) 8.302 3.376 ( 0.000 -0.028 -6.236) 6.236 3.376 ( 0.000 -0.028 6.236) 6.236 3.390 ( 0.000 -0.551 -6.200) 6.224 3.390 ( 0.000 -0.551 6.200) 6.224 3.744 ( 0.000 -4.303 -8.861) 9.851 3.744 ( 0.000 -4.303 8.861) 9.851 4.286 ( 0.000 1.426 -6.048) 6.214 4.286 ( 0.000 1.426 6.048) 6.214 4.695 ( 0.000 -1.284 -9.221) 9.310 4.695 ( 0.000 -1.284 9.221) 9.310 5.068 ( 0.000 -6.638 -12.508) 14.160 5.068 ( 0.000 -6.638 12.508) 14.160 5.471 ( 0.000 0.862 -5.611) 5.677 5.471 ( 0.000 0.862 5.611) 5.677 5.544 ( 0.000 -0.410 -3.471) 3.495 5.544 ( 0.000 -0.410 3.471) 3.495 6.326 ( 0.000 3.409 -5.223) 6.237 6.326 ( 0.000 3.409 5.223) 6.237 6.410 ( 0.000 0.980 -10.076) 10.123 6.410 ( 0.000 0.980 10.076) 10.123 7.131 ( 0.000 5.227 -15.276) 16.145 7.131 ( 0.000 5.227 15.276) 16.145 7.232 ( 0.000 13.406 -9.132) 16.221 7.232 ( 0.000 13.406 9.132) 16.221 7.780 ( 0.000 2.246 -11.053) 11.279 7.780 ( 0.000 2.246 11.053) 11.279 8.241 ( 0.000 4.337 -5.600) 7.083 8.241 ( 0.000 4.337 5.600) 7.083 9.613 ( 0.000 -2.272 -7.560) 7.895 9.613 ( 0.000 -2.272 7.560) 7.895 9.722 ( 0.000 -10.018 -6.600) 11.996 9.722 ( 0.000 -10.018 6.600) 11.996 11.622 ( 0.000 66.627 -0.592) 66.629 11.622 ( 0.000 66.627 0.592) 66.629 11.733 ( 0.000 63.192 -0.217) 63.192 11.733 ( 0.000 63.192 0.217) 63.192 12.128 ( 0.000 24.469 -0.630) 24.477 12.128 ( 0.000 24.469 0.630) 24.477 12.806 ( 0.000 29.908 -6.962) 30.707 12.806 ( 0.000 29.908 6.962) 30.707 15.655 ( 0.000 -35.822 -2.030) 35.879 15.655 ( 0.000 -35.822 2.030) 35.879 15.951 ( 0.000 -31.675 -2.869) 31.804 15.951 ( 0.000 -31.675 2.869) 31.804 17.896 ( 0.000 -49.702 -0.758) 49.708 17.896 ( 0.000 -49.702 0.758) 49.708 17.982 ( 0.000 -50.968 -1.203) 50.983 17.982 ( 0.000 -50.968 1.203) 50.983 19.796 ( 0.000 1.290 -7.502) 7.612 19.796 ( 0.000 1.290 7.502) 7.612 19.834 ( 0.000 0.348 -8.215) 8.222 19.834 ( 0.000 0.348 8.215) 8.222 20.310 ( 0.000 -7.541 -15.537) 17.270 20.310 ( 0.000 -7.541 15.537) 17.270 20.365 ( 0.000 -10.072 -14.786) 17.891 20.365 ( 0.000 -10.072 14.786) 17.891 24.462 ( 0.000 52.412 -3.840) 52.552 24.462 ( 0.000 52.412 3.840) 52.552 24.690 ( 0.000 50.208 -0.488) 50.210 24.690 ( 0.000 50.208 0.488) 50.210 28.511 ( 0.000 -52.512 -2.669) 52.580 28.511 ( 0.000 -52.512 2.669) 52.580 28.580 ( 0.000 -52.481 -2.670) 52.549 28.580 ( 0.000 -52.481 2.670) 52.549 36.938 ( 0.000 32.539 -11.907) 34.649 36.938 ( 0.000 32.539 11.907) 34.649 37.491 ( 0.000 27.966 -27.932) 39.526 37.491 ( 0.000 27.966 27.932) 39.526 37.677 ( 0.000 18.670 -7.372) 20.072 37.677 ( 0.000 18.670 7.372) 20.072 37.802 ( 0.000 20.802 -8.588) 22.505 37.802 ( 0.000 20.802 8.588) 22.505 42.182 ( 0.000 11.330 -0.760) 11.356 42.182 ( 0.000 11.330 0.760) 11.356 42.998 ( 0.000 -6.946 -3.642) 7.843 42.998 ( 0.000 -6.946 3.642) 7.843 43.202 ( 0.000 -9.596 -22.964) 24.889 43.202 ( 0.000 -9.596 22.964) 24.889 43.362 ( 0.000 -7.473 -4.697) 8.827 43.362 ( 0.000 -7.473 4.697) 8.827 ======================= Grid point 302 (98/105) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -1.118 7.919 -4.351) 9.105 2.933 ( -1.118 7.919 4.351) 9.105 3.142 ( -3.674 0.017 -7.741) 8.569 3.142 ( -3.674 0.017 7.741) 8.569 3.288 ( 0.446 4.578 -6.959) 8.342 3.288 ( 0.446 4.578 6.959) 8.342 3.438 ( -0.727 0.422 -7.271) 7.320 3.438 ( -0.727 0.422 7.271) 7.320 3.807 ( 7.246 -5.046 -12.637) 15.416 3.807 ( 7.246 -5.046 12.637) 15.416 4.248 ( -6.127 -0.831 -6.953) 9.305 4.248 ( -6.127 -0.831 6.953) 9.305 4.719 ( 5.066 -0.299 -5.382) 7.398 4.719 ( 5.066 -0.299 5.382) 7.398 5.069 ( -4.144 -5.478 -6.176) 9.237 5.069 ( -4.144 -5.478 6.176) 9.237 5.417 ( 4.780 1.636 -10.067) 11.263 5.417 ( 4.780 1.636 10.067) 11.263 5.738 ( 5.685 0.850 -2.258) 6.176 5.738 ( 5.685 0.850 2.258) 6.176 6.178 ( -0.731 -1.006 -9.422) 9.504 6.178 ( -0.731 -1.006 9.422) 9.504 6.627 ( 9.347 3.599 -2.429) 10.306 6.627 ( 9.347 3.599 2.429) 10.306 6.917 ( -13.851 5.224 -10.341) 18.057 6.917 ( -13.851 5.224 10.341) 18.057 7.170 ( -7.468 7.242 -7.272) 12.693 7.170 ( -7.468 7.242 7.273) 12.693 7.886 ( 8.408 5.141 -5.710) 11.390 7.886 ( 8.408 5.141 5.710) 11.390 8.209 ( -3.490 6.090 -4.715) 8.456 8.209 ( -3.490 6.090 4.715) 8.456 9.623 ( 1.005 -3.575 -7.426) 8.303 9.623 ( 1.005 -3.575 7.426) 8.303 9.702 ( -1.686 -8.992 -6.695) 11.337 9.702 ( -1.686 -8.992 6.695) 11.337 11.620 ( 0.204 65.329 -0.618) 65.332 11.620 ( 0.204 65.329 0.618) 65.332 11.696 ( -2.572 63.891 -0.216) 63.943 11.696 ( -2.572 63.891 0.216) 63.943 12.264 ( 10.706 26.049 -1.610) 28.209 12.264 ( 10.706 26.049 1.610) 28.209 12.728 ( -7.059 29.127 -6.227) 30.610 12.728 ( -7.059 29.127 6.227) 30.610 15.702 ( 4.016 -35.097 -2.123) 35.389 15.702 ( 4.016 -35.097 2.123) 35.389 15.910 ( -3.584 -32.194 -2.738) 32.508 15.910 ( -3.584 -32.194 2.738) 32.508 17.910 ( 1.193 -49.883 -0.813) 49.904 17.910 ( 1.193 -49.883 0.813) 49.904 17.970 ( -1.007 -50.783 -1.129) 50.806 17.970 ( -1.007 -50.783 1.129) 50.806 19.802 ( 0.503 1.139 -7.590) 7.691 19.802 ( 0.503 1.139 7.590) 7.691 19.828 ( -0.470 0.472 -8.089) 8.116 19.828 ( -0.470 0.472 8.089) 8.116 20.317 ( 0.571 -7.815 -15.448) 17.322 20.317 ( 0.571 -7.815 15.448) 17.322 20.355 ( -0.822 -9.608 -14.918) 17.763 20.355 ( -0.822 -9.608 14.918) 17.763 24.489 ( 2.475 52.266 -3.507) 52.442 24.489 ( 2.475 52.266 3.507) 52.442 24.650 ( -3.399 50.735 -1.139) 50.861 24.650 ( -3.399 50.735 1.139) 50.861 28.521 ( 0.863 -52.531 -2.664) 52.606 28.521 ( 0.863 -52.531 2.664) 52.606 28.569 ( -0.899 -52.508 -2.665) 52.583 28.569 ( -0.899 -52.508 2.665) 52.583 36.999 ( 5.526 32.145 -13.381) 35.254 36.999 ( 5.526 32.145 13.381) 35.254 37.380 ( -8.905 28.720 -23.640) 38.249 37.380 ( -8.905 28.720 23.640) 38.249 37.702 ( 1.946 19.515 -6.665) 20.713 37.702 ( 1.946 19.515 6.665) 20.713 37.789 ( -1.266 20.607 -7.953) 22.124 37.789 ( -1.266 20.607 7.953) 22.124 42.327 ( 12.266 7.591 -3.407) 14.822 42.327 ( 12.266 7.591 3.407) 14.822 42.900 ( -8.874 -5.293 -5.163) 11.551 42.900 ( -8.874 -5.293 5.163) 11.551 43.226 ( 2.114 -8.950 -13.797) 16.580 43.226 ( 2.114 -8.950 13.797) 16.580 43.341 ( -1.949 -7.646 -5.228) 9.465 43.341 ( -1.949 -7.646 5.228) 9.465 ======================= Grid point 304 (99/105) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( -5.933 6.413 -5.434) 10.289 2.993 ( 4.670 6.413 -5.295) 9.538 2.993 ( -4.670 6.413 5.295) 9.538 2.993 ( 5.933 6.413 5.434) 10.289 3.370 ( -4.286 -0.104 -2.485) 4.955 3.370 ( 2.086 -0.104 -2.148) 2.996 3.370 ( -2.086 -0.104 2.148) 2.996 3.370 ( 4.286 -0.104 2.485) 4.955 4.033 ( -11.804 -2.471 -10.723) 16.138 4.033 ( 11.481 -2.471 -10.684) 15.877 4.033 ( -11.481 -2.471 10.684) 15.877 4.033 ( 11.804 -2.471 10.723) 16.138 4.898 ( -9.576 -2.075 -4.513) 10.787 4.898 ( 8.470 -2.075 -4.260) 9.705 4.898 ( -8.470 -2.075 4.260) 9.705 4.898 ( 9.576 -2.075 4.513) 10.787 5.626 ( -10.897 1.434 -7.559) 13.339 5.626 ( 8.699 1.434 -7.235) 11.406 5.626 ( -8.699 1.434 7.235) 11.406 5.626 ( 10.897 1.434 7.559) 13.339 6.437 ( -18.052 0.256 -6.174) 19.081 6.437 ( -4.626 0.256 -2.069) 5.074 6.437 ( 4.626 0.256 2.069) 5.074 6.437 ( 18.052 0.256 6.174) 19.081 6.955 ( -10.736 4.372 -7.791) 13.966 6.955 ( 9.115 4.372 -7.558) 12.622 6.955 ( -9.115 4.372 7.558) 12.622 6.955 ( 10.736 4.372 7.791) 13.966 8.079 ( -5.171 7.270 -7.099) 11.401 8.079 ( 0.077 7.270 -6.886) 10.014 8.079 ( -0.077 7.270 6.886) 10.014 8.079 ( 5.171 7.270 7.099) 11.401 9.658 ( -2.092 -6.399 -7.056) 9.753 9.658 ( 2.092 -6.399 -7.056) 9.753 9.658 ( -2.092 -6.399 7.056) 9.753 9.658 ( 2.092 -6.399 7.056) 9.753 11.644 ( -1.954 64.739 -0.610) 64.771 11.644 ( -0.687 64.739 -0.016) 64.742 11.644 ( 0.687 64.739 0.016) 64.742 11.644 ( 1.954 64.739 0.610) 64.771 12.519 ( -11.583 27.546 -4.232) 30.180 12.519 ( 4.825 27.546 -2.365) 28.065 12.519 ( -4.825 27.546 2.365) 28.065 12.519 ( 11.583 27.546 4.232) 30.180 15.809 ( -5.044 -33.544 -2.755) 34.033 15.809 ( 2.158 -33.544 -2.297) 33.692 15.809 ( -2.158 -33.544 2.297) 33.692 15.809 ( 5.044 -33.544 2.755) 34.033 17.942 ( -1.129 -50.332 -1.653) 50.372 17.942 ( 0.473 -50.332 -1.617) 50.360 17.942 ( -0.473 -50.332 1.617) 50.360 17.942 ( 1.129 -50.332 1.653) 50.372 19.815 ( -0.632 0.792 -8.522) 8.582 19.815 ( 0.626 0.792 -8.522) 8.581 19.815 ( -0.626 0.792 8.522) 8.581 19.815 ( 0.632 0.792 8.522) 8.582 20.334 ( -0.989 -8.616 -15.209) 17.508 20.334 ( 0.989 -8.616 -15.209) 17.508 20.334 ( -0.989 -8.616 15.209) 17.508 20.334 ( 0.989 -8.616 15.209) 17.508 24.563 ( -4.075 51.690 -2.551) 51.913 24.563 ( 3.642 51.690 -2.478) 51.877 24.563 ( -3.642 51.690 2.478) 51.877 24.563 ( 4.075 51.690 2.551) 51.913 28.545 ( -1.229 -52.543 -2.702) 52.627 28.545 ( 1.217 -52.543 -2.701) 52.626 28.545 ( -1.217 -52.543 2.701) 52.626 28.545 ( 1.229 -52.543 2.702) 52.627 37.167 ( -9.601 30.793 -17.684) 36.784 37.167 ( 9.593 30.793 -17.684) 36.782 37.167 ( -9.593 30.793 17.684) 36.782 37.167 ( 9.601 30.793 17.684) 36.784 37.750 ( -1.573 20.171 -10.631) 22.855 37.750 ( 1.403 20.171 -10.628) 22.843 37.750 ( -1.403 20.171 10.628) 22.843 37.750 ( 1.573 20.171 10.631) 22.855 42.637 ( -14.485 0.223 -7.715) 16.413 42.637 ( 13.087 0.223 -7.432) 15.052 42.637 ( -13.087 0.223 7.432) 15.052 42.637 ( 14.485 0.223 7.715) 16.413 43.284 ( -2.717 -8.142 -7.995) 11.730 43.284 ( 2.558 -8.142 -7.989) 11.691 43.284 ( -2.558 -8.142 7.989) 11.691 43.284 ( 2.717 -8.142 7.995) 11.730 ======================= Grid point 310 (100/105) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 0.000 5.029 -6.492) 8.212 3.089 ( 0.000 5.029 6.492) 8.212 3.198 ( 0.000 1.236 -3.752) 3.950 3.198 ( 0.000 1.236 3.752) 3.950 3.395 ( 0.000 1.384 -9.133) 9.237 3.395 ( 0.000 1.384 9.133) 9.237 3.437 ( 0.000 5.645 -2.562) 6.200 3.437 ( 0.000 5.646 2.562) 6.200 3.698 ( 0.000 1.819 -7.222) 7.448 3.698 ( 0.000 1.819 7.222) 7.448 4.202 ( 0.000 -10.259 -9.034) 13.670 4.202 ( 0.000 -10.259 9.034) 13.670 4.720 ( 0.000 2.968 -9.583) 10.032 4.720 ( 0.000 2.968 9.583) 10.032 4.914 ( 0.000 -7.825 -10.188) 12.846 4.914 ( 0.000 -7.825 10.188) 12.846 5.482 ( 0.000 0.755 -5.967) 6.015 5.482 ( 0.000 0.755 5.967) 6.015 5.527 ( 0.000 -1.133 -3.312) 3.501 5.527 ( 0.000 -1.133 3.312) 3.501 6.357 ( 0.000 0.874 -6.200) 6.262 6.357 ( 0.000 0.874 6.200) 6.262 6.408 ( 0.000 -1.171 -5.238) 5.368 6.408 ( 0.000 -1.171 5.238) 5.368 7.276 ( 0.000 8.370 -9.015) 12.301 7.276 ( 0.000 8.370 9.015) 12.301 7.393 ( 0.000 3.840 -5.998) 7.122 7.393 ( 0.000 3.840 5.998) 7.122 7.851 ( 0.000 5.612 -9.005) 10.610 7.851 ( 0.000 5.612 9.005) 10.610 8.204 ( 0.000 -7.376 -5.594) 9.257 8.204 ( 0.000 -7.376 5.594) 9.257 9.569 ( 0.000 -2.187 -6.526) 6.883 9.569 ( 0.000 -2.187 6.526) 6.883 9.570 ( 0.000 -4.572 -5.954) 7.507 9.570 ( 0.000 -4.572 5.954) 7.507 12.617 ( 0.000 24.992 -1.572) 25.041 12.617 ( 0.000 24.992 1.572) 25.041 12.744 ( 0.000 41.779 -0.385) 41.781 12.744 ( 0.000 41.779 0.385) 41.781 13.011 ( 0.000 59.067 -1.579) 59.088 13.011 ( 0.000 59.067 1.579) 59.089 13.343 ( 0.000 24.220 -5.848) 24.916 13.343 ( 0.000 24.220 5.848) 24.916 15.189 ( 0.000 -5.507 -1.756) 5.780 15.189 ( 0.000 -5.507 1.756) 5.780 15.492 ( 0.000 -11.003 -2.694) 11.328 15.492 ( 0.000 -11.003 2.694) 11.328 16.811 ( 0.000 -60.300 -1.218) 60.312 16.811 ( 0.000 -60.300 1.218) 60.312 16.865 ( 0.000 -60.916 -1.415) 60.932 16.865 ( 0.000 -60.916 1.415) 60.932 19.877 ( 0.000 6.048 -10.207) 11.864 19.877 ( 0.000 6.048 10.207) 11.864 19.903 ( 0.000 5.722 -11.049) 12.443 19.903 ( 0.000 5.722 11.049) 12.443 20.160 ( 0.000 -7.834 -14.186) 16.205 20.160 ( 0.000 -7.834 14.186) 16.205 20.187 ( 0.000 -8.430 -14.366) 16.656 20.187 ( 0.000 -8.430 14.366) 16.656 25.480 ( 0.000 52.299 -2.681) 52.368 25.480 ( 0.000 52.299 2.681) 52.368 25.657 ( 0.000 49.387 -0.539) 49.390 25.657 ( 0.000 49.387 0.539) 49.390 27.499 ( 0.000 -51.872 -1.975) 51.910 27.499 ( 0.000 -51.872 1.975) 51.910 27.580 ( 0.000 -50.498 -1.990) 50.537 27.580 ( 0.000 -50.498 1.990) 50.537 37.484 ( 0.000 23.088 -12.353) 26.185 37.484 ( 0.000 23.088 12.353) 26.185 37.892 ( 0.000 3.481 -10.392) 10.959 37.892 ( 0.000 3.481 10.392) 10.959 37.914 ( 0.000 15.761 -23.729) 28.487 37.914 ( 0.000 15.761 23.729) 28.487 38.078 ( 0.000 7.694 -13.921) 15.906 38.078 ( 0.000 7.694 13.921) 15.906 42.419 ( 0.000 12.687 -0.554) 12.699 42.419 ( 0.000 12.687 0.554) 12.699 42.848 ( 0.000 -8.652 -4.129) 9.587 42.848 ( 0.000 -8.652 4.129) 9.587 43.083 ( 0.000 -2.554 -16.227) 16.426 43.083 ( 0.000 -2.554 16.227) 16.426 43.214 ( 0.000 -7.369 -6.098) 9.565 43.214 ( 0.000 -7.369 6.098) 9.565 ======================= Grid point 312 (101/105) ======================= q-point: ( 0.25 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -0.884 4.567 -6.720) 8.173 3.067 ( -0.884 4.567 6.720) 8.173 3.188 ( -3.916 4.902 -6.560) 9.077 3.188 ( -3.916 4.902 6.560) 9.077 3.288 ( 0.680 -1.808 -8.435) 8.653 3.288 ( 0.680 -1.808 8.435) 8.653 3.503 ( -3.496 0.671 -7.480) 8.284 3.503 ( -3.496 0.671 7.480) 8.284 3.786 ( 10.569 6.030 -7.261) 14.170 3.786 ( 10.569 6.030 7.261) 14.170 4.203 ( -2.618 -4.842 -4.724) 7.253 4.203 ( -2.618 -4.842 4.724) 7.253 4.701 ( 1.714 -1.265 -5.838) 6.214 4.701 ( 1.714 -1.266 5.838) 6.214 4.944 ( -1.490 -6.233 -6.588) 9.191 4.944 ( -1.490 -6.233 6.588) 9.191 5.405 ( 2.969 -1.618 -9.279) 9.876 5.405 ( 2.968 -1.618 9.279) 9.876 5.741 ( 5.839 -0.153 -1.081) 5.940 5.741 ( 5.839 -0.153 1.081) 5.940 6.151 ( -1.535 -1.324 -5.947) 6.283 6.151 ( -1.535 -1.324 5.947) 6.283 6.670 ( 10.863 1.085 -4.059) 11.647 6.670 ( 10.863 1.085 4.059) 11.647 7.033 ( -18.016 6.362 -7.664) 20.586 7.033 ( -18.016 6.362 7.664) 20.586 7.254 ( -10.543 1.567 -6.018) 12.240 7.254 ( -10.543 1.567 6.018) 12.240 7.988 ( 9.807 5.430 -1.010) 11.255 7.988 ( 9.807 5.430 1.010) 11.255 8.240 ( 0.932 -2.310 -5.851) 6.359 8.240 ( 0.933 -2.310 5.851) 6.360 9.546 ( -1.108 -4.173 -5.357) 6.881 9.546 ( -1.108 -4.173 5.357) 6.881 9.563 ( -1.104 -4.140 -4.399) 6.141 9.563 ( -1.104 -4.140 4.399) 6.141 12.671 ( 4.477 31.973 -1.190) 32.306 12.671 ( 4.477 31.973 1.190) 32.306 12.792 ( 2.811 37.847 -1.434) 37.979 12.792 ( 2.811 37.847 1.434) 37.979 13.005 ( 0.737 54.541 -1.939) 54.581 13.005 ( 0.737 54.541 1.939) 54.581 13.273 ( -6.114 26.518 -4.596) 27.599 13.273 ( -6.114 26.518 4.596) 27.599 15.236 ( 4.068 -6.604 -1.756) 7.953 15.236 ( 4.068 -6.604 1.756) 7.953 15.450 ( -3.728 -10.454 -2.513) 11.379 15.450 ( -3.728 -10.454 2.513) 11.379 16.821 ( 0.799 -60.366 -1.274) 60.385 16.821 ( 0.799 -60.366 1.274) 60.385 16.859 ( -0.594 -60.794 -1.413) 60.814 16.859 ( -0.594 -60.794 1.413) 60.814 19.880 ( 0.340 5.982 -10.312) 11.926 19.880 ( 0.340 5.982 10.312) 11.926 19.899 ( -0.350 5.749 -10.903) 12.331 19.899 ( -0.350 5.749 10.903) 12.331 20.163 ( 0.313 -7.869 -14.201) 16.238 20.163 ( 0.313 -7.869 14.201) 16.238 20.182 ( -0.371 -8.294 -14.331) 16.562 20.182 ( -0.371 -8.294 14.331) 16.562 25.502 ( 2.003 51.949 -2.396) 52.043 25.502 ( 2.003 51.949 2.396) 52.043 25.627 ( -2.548 49.894 -0.785) 49.965 25.627 ( -2.548 49.894 0.785) 49.965 27.510 ( 0.991 -51.679 -1.958) 51.725 27.510 ( 0.991 -51.679 1.958) 51.725 27.567 ( -1.076 -50.706 -1.965) 50.755 27.567 ( -1.076 -50.706 1.965) 50.755 37.529 ( 4.152 21.996 -13.183) 25.978 37.529 ( 4.152 21.996 13.183) 25.978 37.804 ( -6.244 13.706 -13.734) 20.382 37.804 ( -6.244 13.706 13.734) 20.382 37.954 ( 2.296 7.620 -3.104) 8.543 37.954 ( 2.296 7.620 3.104) 8.543 38.060 ( -1.682 7.376 -12.624) 14.718 38.060 ( -1.682 7.376 12.624) 14.718 42.498 ( 6.676 9.547 -1.244) 11.716 42.498 ( 6.676 9.547 1.244) 11.716 42.807 ( -4.217 -4.884 -2.005) 6.757 42.807 ( -4.217 -4.884 2.005) 6.757 43.091 ( 1.219 -4.341 -12.055) 12.870 43.091 ( 1.219 -4.341 12.055) 12.870 43.193 ( -1.865 -7.079 -6.392) 9.718 43.193 ( -1.865 -7.079 6.392) 9.718 ======================= Grid point 314 (102/105) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( -3.275 3.600 -7.310) 8.782 3.090 ( 3.275 3.600 -7.310) 8.782 3.090 ( -3.275 3.599 7.310) 8.782 3.090 ( 3.275 3.600 7.310) 8.782 3.381 ( -5.915 0.209 -4.618) 7.508 3.381 ( 5.226 0.209 -4.525) 6.916 3.381 ( -5.226 0.209 4.525) 6.916 3.381 ( 5.915 0.209 4.618) 7.508 4.043 ( -10.309 3.454 -5.271) 12.083 4.043 ( 2.307 3.454 -4.070) 5.815 4.043 ( -2.307 3.454 4.070) 5.815 4.043 ( 10.309 3.454 5.271) 12.083 4.822 ( -7.664 -5.112 -5.556) 10.758 4.822 ( 7.601 -5.112 -5.547) 10.708 4.822 ( -7.601 -5.112 5.547) 10.708 4.822 ( 7.664 -5.112 5.556) 10.758 5.599 ( -11.937 -2.765 -9.965) 15.794 5.599 ( 11.326 -2.765 -9.886) 15.286 5.599 ( -11.326 -2.765 9.886) 15.286 5.599 ( 11.937 -2.765 9.965) 15.794 6.465 ( -19.668 2.121 -4.293) 20.242 6.465 ( -16.548 2.121 -2.424) 16.858 6.465 ( 16.548 2.121 2.424) 16.858 6.465 ( 19.668 2.121 4.293) 20.242 7.008 ( -11.336 1.334 -8.529) 14.249 7.008 ( 11.201 1.334 -8.509) 14.130 7.008 ( -11.201 1.334 8.509) 14.130 7.008 ( 11.336 1.334 8.529) 14.249 8.180 ( -4.002 3.377 -9.052) 10.457 8.180 ( 1.488 3.377 -8.967) 9.697 8.180 ( -1.488 3.377 8.967) 9.697 8.180 ( 4.002 3.377 9.052) 10.457 9.539 ( -0.497 -4.976 -5.851) 7.697 9.539 ( 0.478 -4.976 -5.851) 7.695 9.539 ( -0.478 -4.976 5.851) 7.695 9.539 ( 0.497 -4.976 5.851) 7.697 12.775 ( -4.104 40.288 -2.726) 40.588 12.775 ( 4.074 40.288 -2.721) 40.585 12.775 ( -4.074 40.288 2.721) 40.585 12.775 ( 4.104 40.288 2.726) 40.588 13.108 ( -7.873 35.550 -2.673) 36.509 13.108 ( -0.362 35.550 -0.521) 35.556 13.108 ( 0.362 35.550 0.521) 35.556 13.108 ( 7.873 35.550 2.673) 36.509 15.345 ( -5.294 -8.796 -2.251) 10.510 15.345 ( 1.324 -8.796 -1.466) 9.015 15.345 ( -1.324 -8.796 1.466) 9.015 15.345 ( 5.294 -8.796 2.251) 10.510 16.841 ( -0.895 -60.554 -1.544) 60.581 16.841 ( 0.800 -60.554 -1.538) 60.579 16.841 ( -0.800 -60.554 1.538) 60.579 16.841 ( 0.895 -60.554 1.544) 60.581 19.890 ( -0.467 5.846 -11.009) 12.474 19.890 ( 0.466 5.846 -11.009) 12.474 19.890 ( -0.466 5.846 11.009) 12.474 19.890 ( 0.467 5.846 11.009) 12.474 20.172 ( -0.481 -8.032 -14.346) 16.448 20.172 ( 0.480 -8.032 -14.346) 16.448 20.172 ( -0.480 -8.032 14.346) 16.448 20.172 ( 0.481 -8.032 14.346) 16.448 25.561 ( -2.961 51.000 -1.930) 51.122 25.561 ( 1.419 51.000 -1.725) 51.048 25.561 ( -1.419 51.000 1.725) 51.048 25.561 ( 2.961 51.000 1.930) 51.122 27.538 ( -1.367 -51.200 -2.143) 51.263 27.538 ( 1.234 -51.200 -2.134) 51.259 27.538 ( -1.234 -51.200 2.134) 51.259 27.538 ( 1.367 -51.200 2.143) 51.263 37.653 ( -6.911 18.782 -15.000) 25.011 37.653 ( 6.901 18.782 -15.000) 25.008 37.653 ( -6.901 18.782 15.000) 25.008 37.653 ( 6.911 18.782 15.000) 25.011 38.010 ( -2.357 6.891 -10.960) 13.159 38.010 ( 2.244 6.891 -10.957) 13.137 38.010 ( -2.244 6.891 10.957) 13.137 38.010 ( 2.357 6.891 10.960) 13.159 42.668 ( -7.898 2.558 -3.297) 8.933 42.668 ( 3.656 2.558 -2.329) 5.033 42.668 ( -3.656 2.558 2.329) 5.033 42.668 ( 7.898 2.558 3.297) 8.933 43.139 ( -2.797 -6.359 -7.568) 10.273 43.139 ( 2.791 -6.359 -7.567) 10.271 43.139 ( -2.791 -6.359 7.567) 10.271 43.139 ( 2.797 -6.359 7.568) 10.273 ======================= Grid point 320 (103/105) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( 0.000 -2.678 -9.247) 9.627 3.170 ( 0.000 2.678 -9.247) 9.627 3.170 ( 0.000 -2.678 9.247) 9.627 3.170 ( 0.000 2.678 9.247) 9.627 3.445 ( 0.000 -2.416 -10.574) 10.846 3.445 ( 0.000 2.416 -10.574) 10.846 3.445 ( 0.000 -2.416 10.574) 10.846 3.445 ( 0.000 2.416 10.574) 10.846 3.917 ( 0.000 -16.921 -11.510) 20.465 3.917 ( 0.000 16.921 -11.510) 20.465 3.917 ( 0.000 -16.921 11.510) 20.465 3.917 ( 0.000 16.921 11.510) 20.465 4.793 ( 0.000 -3.903 -8.941) 9.756 4.793 ( 0.000 3.903 -8.941) 9.756 4.793 ( 0.000 -3.903 8.941) 9.756 4.793 ( 0.000 3.903 8.941) 9.756 5.503 ( 0.000 -0.291 -4.671) 4.680 5.503 ( 0.000 0.291 -4.671) 4.680 5.503 ( 0.000 -0.291 4.671) 4.680 5.503 ( 0.000 0.291 4.671) 4.680 6.379 ( 0.000 -0.276 -3.576) 3.587 6.379 ( 0.000 -0.276 3.576) 3.587 6.379 ( 0.000 0.276 -3.576) 3.587 6.379 ( 0.000 0.276 3.576) 3.587 7.398 ( 0.000 -3.208 -4.331) 5.390 7.398 ( 0.000 3.208 -4.331) 5.390 7.398 ( 0.000 -3.208 4.331) 5.390 7.398 ( 0.000 3.208 4.331) 5.390 8.012 ( 0.000 -10.205 -6.077) 11.877 8.012 ( 0.000 -10.205 6.077) 11.877 8.012 ( 0.000 10.205 -6.077) 11.877 8.012 ( 0.000 10.205 6.077) 11.877 9.538 ( 0.000 -0.512 -5.751) 5.774 9.538 ( 0.000 0.512 -5.751) 5.774 9.538 ( 0.000 -0.512 5.751) 5.774 9.538 ( 0.000 0.512 5.751) 5.774 13.012 ( 0.000 -10.794 -1.717) 10.930 13.012 ( 0.000 -10.794 1.717) 10.930 13.012 ( 0.000 10.794 -1.717) 10.930 13.012 ( 0.000 10.794 1.717) 10.930 13.630 ( 0.000 -1.350 -3.515) 3.765 13.630 ( 0.000 1.350 -3.515) 3.765 13.630 ( 0.000 -1.350 3.515) 3.765 13.630 ( 0.000 1.350 3.515) 3.765 15.665 ( 0.000 -50.892 -1.216) 50.907 15.665 ( 0.000 -50.892 1.216) 50.907 15.665 ( 0.000 50.892 -1.216) 50.907 15.665 ( 0.000 50.892 1.216) 50.907 15.792 ( 0.000 -42.993 -1.225) 43.010 15.792 ( 0.000 -42.993 1.225) 43.010 15.792 ( 0.000 42.993 -1.225) 43.010 15.792 ( 0.000 42.993 1.225) 43.010 20.010 ( 0.000 -7.462 -12.366) 14.443 20.010 ( 0.000 7.462 -12.366) 14.443 20.010 ( 0.000 -7.462 12.366) 14.443 20.010 ( 0.000 7.462 12.366) 14.443 20.033 ( 0.000 -7.389 -12.988) 14.943 20.033 ( 0.000 7.389 -12.988) 14.943 20.033 ( 0.000 -7.389 12.988) 14.943 20.033 ( 0.000 7.389 12.988) 14.943 26.492 ( 0.000 -51.943 -1.804) 51.975 26.492 ( 0.000 -51.943 1.804) 51.975 26.492 ( 0.000 51.943 -1.804) 51.975 26.492 ( 0.000 51.943 1.804) 51.975 26.613 ( 0.000 -49.276 -1.025) 49.287 26.613 ( 0.000 -49.276 1.025) 49.287 26.613 ( 0.000 49.276 -1.025) 49.287 26.613 ( 0.000 49.276 1.025) 49.287 37.817 ( 0.000 -10.881 -11.886) 16.114 37.817 ( 0.000 10.881 -11.886) 16.114 37.817 ( 0.000 -10.881 11.886) 16.114 37.817 ( 0.000 10.881 11.886) 16.114 38.109 ( 0.000 -4.279 -18.877) 19.356 38.109 ( 0.000 4.279 -18.877) 19.356 38.109 ( 0.000 -4.279 18.877) 19.356 38.109 ( 0.000 4.279 18.877) 19.356 42.656 ( 0.000 -11.231 -2.599) 11.528 42.656 ( 0.000 -11.231 2.599) 11.528 42.656 ( 0.000 11.231 -2.599) 11.528 42.656 ( 0.000 11.231 2.599) 11.528 43.099 ( 0.000 -3.812 -10.248) 10.934 43.099 ( 0.000 3.812 -10.248) 10.934 43.099 ( 0.000 -3.812 10.248) 10.934 43.099 ( 0.000 3.812 10.248) 10.934 ======================= Grid point 324 (104/105) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -1.540 0.000 -11.504) 11.607 3.108 ( -1.540 0.000 11.504) 11.607 3.257 ( 0.920 -0.000 -6.894) 6.955 3.257 ( 0.920 0.000 6.894) 6.955 3.274 ( -4.739 0.000 -3.262) 5.753 3.274 ( -4.739 0.000 3.262) 5.753 3.471 ( -2.504 0.000 -9.980) 10.289 3.471 ( -2.504 0.000 9.980) 10.289 3.976 ( 6.047 0.000 -5.523) 8.189 3.976 ( 6.047 0.000 5.523) 8.189 4.054 ( 7.185 -0.000 -9.517) 11.924 4.054 ( 7.185 -0.000 9.517) 11.924 4.690 ( -1.944 0.000 -6.986) 7.252 4.690 ( -1.944 0.000 6.986) 7.252 4.874 ( -0.984 0.000 -6.442) 6.517 4.874 ( -0.984 0.000 6.442) 6.517 5.386 ( 1.655 0.000 -8.209) 8.374 5.386 ( 1.655 0.000 8.209) 8.374 5.738 ( 4.356 0.000 -2.090) 4.832 5.738 ( 4.356 0.000 2.090) 4.832 6.137 ( -0.435 0.000 -4.278) 4.300 6.137 ( -0.435 0.000 4.278) 4.300 6.679 ( 11.551 0.000 -6.790) 13.398 6.679 ( 11.551 0.000 6.790) 13.398 7.111 ( -21.257 0.000 -7.437) 22.521 7.111 ( -21.257 0.000 7.437) 22.521 7.258 ( -10.334 0.000 -8.933) 13.660 7.258 ( -10.334 0.000 8.933) 13.660 8.070 ( 7.829 0.000 -5.877) 9.789 8.070 ( 7.829 0.000 5.877) 9.789 8.181 ( 6.285 -0.000 -11.034) 12.699 8.181 ( 6.285 -0.000 11.034) 12.699 9.506 ( -1.788 -0.000 -6.148) 6.402 9.506 ( -1.788 0.000 6.148) 6.402 9.521 ( -1.863 0.000 -4.831) 5.178 9.521 ( -1.863 0.000 4.831) 5.178 13.053 ( 4.471 -0.000 -2.435) 5.091 13.053 ( 4.471 -0.000 2.436) 5.091 13.090 ( 4.791 0.000 -2.584) 5.444 13.090 ( 4.791 0.000 2.584) 5.444 13.581 ( -3.471 0.000 -2.234) 4.128 13.581 ( -3.471 0.000 2.234) 4.128 13.597 ( -3.128 0.000 -4.445) 5.435 13.597 ( -3.128 -0.000 4.445) 5.435 15.646 ( 0.104 0.000 -0.812) 0.818 15.646 ( 0.104 0.000 0.812) 0.818 15.704 ( 0.349 -0.000 -1.527) 1.566 15.704 ( 0.348 -0.000 1.527) 1.566 15.751 ( -0.334 -0.000 -1.677) 1.710 15.751 ( -0.334 -0.000 1.677) 1.710 15.814 ( -0.089 0.000 -1.297) 1.300 15.814 ( -0.089 0.000 1.297) 1.300 20.010 ( 0.020 0.000 -9.216) 9.216 20.010 ( 0.020 0.000 9.216) 9.216 20.012 ( 0.026 -0.000 -10.851) 10.851 20.012 ( 0.026 -0.000 10.851) 10.851 20.031 ( -0.040 -0.000 -11.302) 11.302 20.031 ( -0.040 -0.000 11.302) 11.302 20.034 ( -0.034 0.000 -9.752) 9.752 20.034 ( -0.034 0.000 9.752) 9.752 26.481 ( 0.322 -0.000 -1.395) 1.432 26.481 ( 0.322 0.000 1.395) 1.432 26.525 ( 1.157 -0.000 -2.286) 2.562 26.525 ( 1.157 0.000 2.286) 2.562 26.575 ( -1.424 -0.000 -0.734) 1.602 26.575 ( -1.424 0.000 0.734) 1.602 26.622 ( -0.589 0.000 -1.339) 1.463 26.622 ( -0.589 0.000 1.339) 1.463 37.821 ( 1.219 0.000 -9.455) 9.534 37.821 ( 1.219 0.000 9.455) 9.534 37.850 ( 1.597 -0.000 -11.214) 11.327 37.850 ( 1.597 -0.000 11.214) 11.327 38.069 ( -2.094 -0.000 -15.688) 15.827 38.069 ( -2.094 -0.000 15.688) 15.827 38.098 ( -1.717 0.000 -14.748) 14.847 38.098 ( -1.717 0.000 14.748) 14.847 42.661 ( 1.594 -0.000 -3.093) 3.479 42.661 ( 1.594 0.000 3.093) 3.479 42.697 ( 1.827 0.000 -2.663) 3.230 42.697 ( 1.827 0.000 2.663) 3.230 43.067 ( -1.226 0.000 -10.066) 10.140 43.067 ( -1.226 0.000 10.066) 10.140 43.101 ( -0.992 -0.000 -9.804) 9.854 43.101 ( -0.992 -0.000 9.804) 9.854 ======================= Grid point 328 (105/105) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -3.779 0.000 -10.815) 11.456 3.128 ( 3.779 -0.000 -10.815) 11.456 3.128 ( -3.779 0.000 10.815) 11.456 3.128 ( 3.779 0.000 10.815) 11.456 3.377 ( -5.407 0.000 -8.171) 9.798 3.377 ( 5.407 0.000 -8.171) 9.798 3.377 ( -5.407 -0.000 8.171) 9.798 3.377 ( 5.407 0.000 8.171) 9.798 4.099 ( -3.422 -0.000 -1.912) 3.920 4.099 ( 3.422 0.000 -1.912) 3.920 4.099 ( -3.422 0.000 1.912) 3.920 4.099 ( 3.422 0.000 1.912) 3.920 4.755 ( -7.050 0.000 -6.113) 9.332 4.755 ( 7.051 0.000 -6.113) 9.332 4.755 ( -7.050 0.000 6.113) 9.332 4.755 ( 7.050 -0.000 6.113) 9.332 5.565 ( -12.350 0.000 -10.530) 16.229 5.565 ( 12.350 0.000 -10.530) 16.229 5.565 ( -12.350 0.000 10.530) 16.229 5.565 ( 12.350 0.000 10.530) 16.229 6.490 ( -24.285 0.000 -5.247) 24.846 6.490 ( -24.285 0.000 5.247) 24.846 6.490 ( 24.285 0.000 -5.247) 24.846 6.490 ( 24.285 0.000 5.247) 24.846 7.019 ( -10.838 0.000 -8.911) 14.031 7.019 ( 10.838 0.000 -8.911) 14.031 7.019 ( -10.838 0.000 8.911) 14.031 7.019 ( 10.838 0.000 8.911) 14.031 8.213 ( -3.456 0.000 -10.184) 10.755 8.213 ( 3.457 0.000 -10.184) 10.755 8.213 ( -3.456 0.000 10.184) 10.755 8.213 ( 3.457 0.000 10.184) 10.755 9.488 ( -0.489 0.000 -5.316) 5.338 9.488 ( 0.489 0.000 -5.316) 5.338 9.488 ( -0.489 0.000 5.316) 5.338 9.488 ( 0.489 0.000 5.316) 5.338 13.141 ( -1.574 0.000 -2.799) 3.211 13.141 ( 1.574 0.000 -2.799) 3.211 13.141 ( -1.574 -0.000 2.799) 3.211 13.141 ( 1.574 0.000 2.799) 3.211 13.537 ( -0.826 0.000 -3.381) 3.481 13.537 ( 0.826 0.000 -3.381) 3.481 13.537 ( -0.826 0.000 3.381) 3.481 13.537 ( 0.826 0.000 3.381) 3.481 15.669 ( -1.885 0.000 -0.600) 1.978 15.669 ( -1.885 0.001 0.600) 1.978 15.669 ( 1.885 0.000 -0.600) 1.978 15.669 ( 1.885 -0.000 0.600) 1.978 15.788 ( -2.052 -0.000 -1.386) 2.477 15.788 ( 2.052 0.000 -1.386) 2.477 15.788 ( -2.052 -0.000 1.386) 2.477 15.788 ( 2.052 0.000 1.386) 2.477 20.011 ( -0.078 0.000 -5.826) 5.827 20.011 ( 0.078 -0.000 -5.826) 5.827 20.011 ( -0.078 -0.000 5.826) 5.827 20.011 ( 0.078 0.000 5.826) 5.827 20.032 ( -0.095 -0.000 -6.146) 6.147 20.032 ( 0.095 0.000 -6.146) 6.147 20.032 ( -0.095 0.000 6.146) 6.147 20.032 ( 0.095 -0.000 6.146) 6.147 26.505 ( -1.777 0.000 -1.479) 2.312 26.505 ( 1.777 -0.000 -1.479) 2.312 26.505 ( -1.777 0.000 1.479) 2.312 26.505 ( 1.777 -0.000 1.479) 2.312 26.593 ( -1.838 0.000 -1.578) 2.423 26.593 ( 1.838 0.000 -1.578) 2.423 26.593 ( -1.838 -0.000 1.578) 2.423 26.593 ( 1.838 0.000 1.578) 2.423 37.856 ( -1.274 0.000 -2.752) 3.033 37.856 ( 1.274 0.000 -2.752) 3.033 37.856 ( -1.274 0.000 2.752) 3.033 37.856 ( 1.274 0.000 2.752) 3.033 38.057 ( -1.309 0.000 -2.880) 3.163 38.057 ( 1.309 0.000 -2.880) 3.163 38.057 ( -1.309 -0.000 2.880) 3.163 38.057 ( 1.309 -0.000 2.880) 3.163 42.702 ( -1.412 0.000 -3.378) 3.662 42.702 ( 1.412 0.000 -3.378) 3.662 42.702 ( -1.412 0.000 3.378) 3.662 42.702 ( 1.412 0.000 3.378) 3.662 43.068 ( -1.350 -0.000 -9.520) 9.616 43.068 ( 1.350 -0.000 -9.520) 9.616 43.068 ( -1.350 0.000 9.520) 9.616 43.068 ( 1.350 0.000 9.520) 9.616 =================== 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 3/32256 10.0 582.884 625.511 631.932 0.000 0.000 0.000 3/32256 20.0 179.464 169.229 151.374 0.000 0.000 0.000 3/32256 30.0 65.889 71.440 53.428 0.000 0.000 -0.000 3/32256 40.0 34.812 41.172 26.928 0.000 0.000 -0.000 3/32256 50.0 22.625 28.371 16.933 0.000 0.000 -0.000 3/32256 60.0 16.500 21.538 12.116 0.000 0.000 -0.000 3/32256 70.0 12.911 17.359 9.391 0.000 0.000 -0.000 3/32256 80.0 10.587 14.602 7.674 0.000 0.000 -0.000 3/32256 90.0 8.973 12.702 6.503 0.000 0.000 -0.000 3/32256 100.0 7.792 11.362 5.657 0.000 0.000 -0.000 3/32256 110.0 6.893 10.406 5.017 0.000 0.000 -0.000 3/32256 120.0 6.185 9.721 4.516 0.000 0.000 -0.000 3/32256 130.0 5.614 9.233 4.112 0.000 0.000 -0.000 3/32256 140.0 5.144 8.888 3.780 0.000 0.000 -0.000 3/32256 150.0 4.749 8.649 3.502 0.000 0.000 -0.000 3/32256 160.0 4.413 8.489 3.265 0.000 0.000 -0.000 3/32256 170.0 4.124 8.385 3.060 0.000 0.000 -0.000 3/32256 180.0 3.871 8.324 2.883 0.000 0.000 -0.000 3/32256 190.0 3.650 8.292 2.727 0.000 0.000 -0.000 3/32256 200.0 3.453 8.282 2.589 0.000 0.000 -0.000 3/32256 210.0 3.278 8.284 2.466 0.000 0.000 -0.000 3/32256 220.0 3.120 8.295 2.356 0.000 0.000 -0.000 3/32256 230.0 2.978 8.311 2.257 0.000 0.000 -0.000 3/32256 240.0 2.850 8.327 2.168 0.000 0.000 -0.000 3/32256 250.0 2.732 8.342 2.086 0.000 0.000 -0.000 3/32256 260.0 2.625 8.354 2.012 0.000 0.000 -0.000 3/32256 270.0 2.527 8.362 1.944 0.000 0.000 -0.000 3/32256 280.0 2.436 8.365 1.882 0.000 0.000 -0.000 3/32256 290.0 2.353 8.364 1.824 0.000 0.000 -0.000 3/32256 300.0 2.276 8.357 1.771 0.000 0.000 -0.000 3/32256 310.0 2.204 8.345 1.722 0.000 0.000 -0.000 3/32256 320.0 2.137 8.327 1.676 0.000 0.000 -0.000 3/32256 330.0 2.075 8.305 1.634 0.000 0.000 -0.000 3/32256 340.0 2.017 8.277 1.594 0.000 0.000 -0.000 3/32256 350.0 1.962 8.246 1.557 0.000 0.000 -0.000 3/32256 360.0 1.911 8.210 1.522 0.000 0.000 -0.000 3/32256 370.0 1.863 8.170 1.490 0.000 0.000 -0.000 3/32256 380.0 1.818 8.127 1.459 0.000 0.000 -0.000 3/32256 390.0 1.775 8.081 1.430 0.000 0.000 -0.000 3/32256 400.0 1.735 8.032 1.403 0.000 0.000 -0.000 3/32256 410.0 1.697 7.981 1.377 0.000 0.000 -0.000 3/32256 420.0 1.660 7.928 1.352 0.000 0.000 -0.000 3/32256 430.0 1.626 7.872 1.329 0.000 0.000 -0.000 3/32256 440.0 1.593 7.815 1.307 0.000 0.000 -0.000 3/32256 450.0 1.562 7.756 1.286 0.000 0.000 -0.000 3/32256 460.0 1.532 7.697 1.265 0.000 0.000 -0.000 3/32256 470.0 1.504 7.636 1.246 0.000 0.000 -0.000 3/32256 480.0 1.477 7.574 1.227 0.000 0.000 -0.000 3/32256 490.0 1.451 7.512 1.210 0.000 0.000 -0.000 3/32256 500.0 1.426 7.449 1.193 0.000 0.000 -0.000 3/32256 510.0 1.402 7.386 1.176 0.000 0.000 -0.000 3/32256 520.0 1.379 7.323 1.160 0.000 0.000 -0.000 3/32256 530.0 1.357 7.259 1.145 0.000 0.000 -0.000 3/32256 540.0 1.336 7.195 1.130 0.000 0.000 -0.000 3/32256 550.0 1.315 7.132 1.116 0.000 0.000 -0.000 3/32256 560.0 1.295 7.068 1.102 0.000 0.000 -0.000 3/32256 570.0 1.276 7.005 1.089 0.000 0.000 -0.000 3/32256 580.0 1.258 6.942 1.076 0.000 0.000 -0.000 3/32256 590.0 1.240 6.880 1.064 0.000 0.000 -0.000 3/32256 600.0 1.223 6.818 1.051 0.000 0.000 -0.000 3/32256 610.0 1.206 6.756 1.040 0.000 0.000 -0.000 3/32256 620.0 1.190 6.695 1.028 0.000 0.000 -0.000 3/32256 630.0 1.174 6.634 1.017 0.000 0.000 -0.000 3/32256 640.0 1.159 6.574 1.006 0.000 0.000 -0.000 3/32256 650.0 1.144 6.514 0.995 0.000 0.000 -0.000 3/32256 660.0 1.130 6.455 0.985 0.000 0.000 -0.000 3/32256 670.0 1.116 6.397 0.975 0.000 0.000 -0.000 3/32256 680.0 1.102 6.339 0.965 0.000 0.000 -0.000 3/32256 690.0 1.089 6.282 0.955 0.000 0.000 -0.000 3/32256 700.0 1.076 6.225 0.946 0.000 0.000 -0.000 3/32256 710.0 1.063 6.169 0.937 0.000 0.000 -0.000 3/32256 720.0 1.051 6.114 0.928 0.000 0.000 -0.000 3/32256 730.0 1.039 6.060 0.919 0.000 0.000 -0.000 3/32256 740.0 1.027 6.006 0.910 0.000 0.000 -0.000 3/32256 750.0 1.016 5.953 0.902 0.000 0.000 -0.000 3/32256 760.0 1.005 5.900 0.893 0.000 0.000 -0.000 3/32256 770.0 0.994 5.848 0.885 0.000 0.000 -0.000 3/32256 780.0 0.984 5.797 0.877 0.000 0.000 -0.000 3/32256 790.0 0.973 5.747 0.869 0.000 0.000 -0.000 3/32256 800.0 0.963 5.697 0.862 0.000 0.000 -0.000 3/32256 810.0 0.953 5.648 0.854 0.000 0.000 -0.000 3/32256 820.0 0.943 5.599 0.847 0.000 0.000 -0.000 3/32256 830.0 0.934 5.551 0.840 0.000 0.000 -0.000 3/32256 840.0 0.925 5.504 0.832 0.000 0.000 -0.000 3/32256 850.0 0.915 5.458 0.825 0.000 0.000 -0.000 3/32256 860.0 0.907 5.412 0.818 0.000 0.000 -0.000 3/32256 870.0 0.898 5.366 0.812 0.000 0.000 -0.000 3/32256 880.0 0.889 5.322 0.805 0.000 0.000 -0.000 3/32256 890.0 0.881 5.278 0.798 0.000 0.000 -0.000 3/32256 900.0 0.873 5.234 0.792 0.000 0.000 -0.000 3/32256 910.0 0.865 5.191 0.786 0.000 0.000 -0.000 3/32256 920.0 0.857 5.149 0.779 0.000 0.000 -0.000 3/32256 930.0 0.849 5.108 0.773 0.000 0.000 -0.000 3/32256 940.0 0.841 5.066 0.767 0.000 0.000 -0.000 3/32256 950.0 0.834 5.026 0.761 0.000 0.000 -0.000 3/32256 960.0 0.826 4.986 0.756 0.000 0.000 -0.000 3/32256 970.0 0.819 4.946 0.750 0.000 0.000 -0.000 3/32256 980.0 0.812 4.908 0.744 0.000 0.000 -0.000 3/32256 990.0 0.805 4.869 0.739 0.000 0.000 -0.000 3/32256 1000.0 0.798 4.831 0.733 0.000 0.000 -0.000 3/32256 Thermal conductivity related properties were written into "kappa-m4128.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:37:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|