----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:49:04]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752998840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.003442240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.686860149999999 Atomic positions (fractional): *1 O 0.13229114026146 0.45805970263853 0.33016054936527 15.999 2 O 0.63229114026146 0.04194029736147 0.66983945063473 15.999 3 O 0.86770885973854 0.95805970263853 0.16983945063473 15.999 4 O 0.36770885973854 0.54194029736147 0.83016054936527 15.999 5 O 0.86770885973854 0.54194029736147 0.66983945063473 15.999 6 O 0.36770885973854 0.95805970263853 0.33016054936527 15.999 7 O 0.13229114026146 0.04194029736147 0.83016054936527 15.999 8 O 0.63229114026146 0.45805970263853 0.16983945063473 15.999 *9 O 0.18266979926523 0.30552692407468 0.07755312924229 15.999 10 O 0.68266979926523 0.19447307592533 0.92244687075771 15.999 11 O 0.81733020073477 0.80552692407467 0.42244687075771 15.999 12 O 0.31733020073477 0.69447307592533 0.57755312924229 15.999 13 O 0.81733020073477 0.69447307592533 0.92244687075771 15.999 14 O 0.31733020073477 0.80552692407467 0.07755312924229 15.999 15 O 0.18266979926523 0.19447307592533 0.57755312924229 15.999 16 O 0.68266979926523 0.30552692407468 0.42244687075771 15.999 *17 H 0.15436493803803 0.34818381825815 0.17739076356514 1.008 18 H 0.65436493803803 0.15181618174185 0.82260923643486 1.008 19 H 0.84563506196197 0.84818381825815 0.32260923643486 1.008 20 H 0.34563506196197 0.65181618174185 0.67739076356514 1.008 21 H 0.84563506196197 0.65181618174185 0.82260923643486 1.008 22 H 0.34563506196197 0.84818381825815 0.17739076356514 1.008 23 H 0.15436493803803 0.15181618174185 0.67739076356514 1.008 24 H 0.65436493803803 0.34818381825815 0.32260923643486 1.008 *25 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 26 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 27 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 28 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.752998840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.003442240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.686860149999999 Atomic positions (fractional): *1 O 0.13229114026146 0.45805970263853 0.33016054936527 15.999 > 1 2 O 0.63229114026146 0.04194029736147 0.66983945063473 15.999 > 2 3 O 0.86770885973854 0.95805970263853 0.16983945063473 15.999 > 3 4 O 0.36770885973854 0.54194029736147 0.83016054936527 15.999 > 4 5 O 0.86770885973854 0.54194029736147 0.66983945063473 15.999 > 5 6 O 0.36770885973854 0.95805970263853 0.33016054936527 15.999 > 6 7 O 0.13229114026146 0.04194029736147 0.83016054936527 15.999 > 7 8 O 0.63229114026146 0.45805970263853 0.16983945063473 15.999 > 8 *9 O 0.18266979926523 0.30552692407468 0.07755312924229 15.999 > 9 10 O 0.68266979926523 0.19447307592533 0.92244687075771 15.999 > 10 11 O 0.81733020073477 0.80552692407467 0.42244687075771 15.999 > 11 12 O 0.31733020073477 0.69447307592533 0.57755312924229 15.999 > 12 13 O 0.81733020073477 0.69447307592533 0.92244687075771 15.999 > 13 14 O 0.31733020073477 0.80552692407467 0.07755312924229 15.999 > 14 15 O 0.18266979926523 0.19447307592533 0.57755312924229 15.999 > 15 16 O 0.68266979926523 0.30552692407468 0.42244687075771 15.999 > 16 *17 H 0.15436493803803 0.34818381825815 0.17739076356514 1.008 > 17 18 H 0.65436493803803 0.15181618174185 0.82260923643486 1.008 > 18 19 H 0.84563506196197 0.84818381825815 0.32260923643486 1.008 > 19 20 H 0.34563506196197 0.65181618174185 0.67739076356514 1.008 > 20 21 H 0.84563506196197 0.65181618174185 0.82260923643486 1.008 > 21 22 H 0.34563506196197 0.84818381825815 0.17739076356514 1.008 > 22 23 H 0.15436493803803 0.15181618174185 0.67739076356514 1.008 > 23 24 H 0.65436493803803 0.34818381825815 0.32260923643486 1.008 > 24 *25 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 25 26 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 26 27 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 27 28 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.505997680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.006884480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.686860149999999 Atomic positions (fractional): *1 O 0.06614557013073 0.22902985131926 0.33016054936527 15.999 > 1 2 O 0.56614557013073 0.22902985131926 0.33016054936527 15.999 > 1 3 O 0.06614557013073 0.72902985131926 0.33016054936527 15.999 > 1 4 O 0.56614557013073 0.72902985131926 0.33016054936527 15.999 > 1 5 O 0.31614557013073 0.02097014868074 0.66983945063473 15.999 > 2 6 O 0.81614557013073 0.02097014868074 0.66983945063473 15.999 > 2 7 O 0.31614557013073 0.52097014868074 0.66983945063473 15.999 > 2 8 O 0.81614557013073 0.52097014868074 0.66983945063473 15.999 > 2 9 O 0.43385442986927 0.47902985131926 0.16983945063473 15.999 > 3 10 O 0.93385442986927 0.47902985131926 0.16983945063473 15.999 > 3 11 O 0.43385442986927 0.97902985131926 0.16983945063473 15.999 > 3 12 O 0.93385442986927 0.97902985131926 0.16983945063473 15.999 > 3 13 O 0.18385442986927 0.27097014868074 0.83016054936527 15.999 > 4 14 O 0.68385442986927 0.27097014868074 0.83016054936527 15.999 > 4 15 O 0.18385442986927 0.77097014868074 0.83016054936527 15.999 > 4 16 O 0.68385442986927 0.77097014868074 0.83016054936527 15.999 > 4 17 O 0.43385442986927 0.27097014868074 0.66983945063473 15.999 > 5 18 O 0.93385442986927 0.27097014868074 0.66983945063473 15.999 > 5 19 O 0.43385442986927 0.77097014868074 0.66983945063473 15.999 > 5 20 O 0.93385442986927 0.77097014868074 0.66983945063473 15.999 > 5 21 O 0.18385442986927 0.47902985131926 0.33016054936527 15.999 > 6 22 O 0.68385442986927 0.47902985131926 0.33016054936527 15.999 > 6 23 O 0.18385442986927 0.97902985131926 0.33016054936527 15.999 > 6 24 O 0.68385442986927 0.97902985131926 0.33016054936527 15.999 > 6 25 O 0.06614557013073 0.02097014868074 0.83016054936527 15.999 > 7 26 O 0.56614557013073 0.02097014868074 0.83016054936527 15.999 > 7 27 O 0.06614557013073 0.52097014868074 0.83016054936527 15.999 > 7 28 O 0.56614557013073 0.52097014868074 0.83016054936527 15.999 > 7 29 O 0.31614557013073 0.22902985131926 0.16983945063473 15.999 > 8 30 O 0.81614557013073 0.22902985131926 0.16983945063473 15.999 > 8 31 O 0.31614557013073 0.72902985131926 0.16983945063473 15.999 > 8 32 O 0.81614557013073 0.72902985131926 0.16983945063473 15.999 > 8 *33 O 0.09133489963262 0.15276346203734 0.07755312924229 15.999 > 9 34 O 0.59133489963262 0.15276346203734 0.07755312924229 15.999 > 9 35 O 0.09133489963262 0.65276346203734 0.07755312924229 15.999 > 9 36 O 0.59133489963262 0.65276346203734 0.07755312924229 15.999 > 9 37 O 0.34133489963262 0.09723653796266 0.92244687075771 15.999 > 10 38 O 0.84133489963262 0.09723653796266 0.92244687075771 15.999 > 10 39 O 0.34133489963262 0.59723653796266 0.92244687075771 15.999 > 10 40 O 0.84133489963262 0.59723653796266 0.92244687075771 15.999 > 10 41 O 0.40866510036738 0.40276346203734 0.42244687075771 15.999 > 11 42 O 0.90866510036738 0.40276346203734 0.42244687075771 15.999 > 11 43 O 0.40866510036738 0.90276346203734 0.42244687075771 15.999 > 11 44 O 0.90866510036738 0.90276346203734 0.42244687075771 15.999 > 11 45 O 0.15866510036738 0.34723653796266 0.57755312924229 15.999 > 12 46 O 0.65866510036738 0.34723653796266 0.57755312924229 15.999 > 12 47 O 0.15866510036738 0.84723653796266 0.57755312924229 15.999 > 12 48 O 0.65866510036738 0.84723653796266 0.57755312924229 15.999 > 12 49 O 0.40866510036738 0.34723653796266 0.92244687075771 15.999 > 13 50 O 0.90866510036738 0.34723653796266 0.92244687075771 15.999 > 13 51 O 0.40866510036738 0.84723653796266 0.92244687075771 15.999 > 13 52 O 0.90866510036738 0.84723653796266 0.92244687075771 15.999 > 13 53 O 0.15866510036738 0.40276346203734 0.07755312924229 15.999 > 14 54 O 0.65866510036738 0.40276346203734 0.07755312924229 15.999 > 14 55 O 0.15866510036738 0.90276346203734 0.07755312924229 15.999 > 14 56 O 0.65866510036738 0.90276346203734 0.07755312924229 15.999 > 14 57 O 0.09133489963262 0.09723653796266 0.57755312924229 15.999 > 15 58 O 0.59133489963262 0.09723653796266 0.57755312924229 15.999 > 15 59 O 0.09133489963262 0.59723653796266 0.57755312924229 15.999 > 15 60 O 0.59133489963262 0.59723653796266 0.57755312924229 15.999 > 15 61 O 0.34133489963262 0.15276346203734 0.42244687075771 15.999 > 16 62 O 0.84133489963262 0.15276346203734 0.42244687075771 15.999 > 16 63 O 0.34133489963262 0.65276346203734 0.42244687075771 15.999 > 16 64 O 0.84133489963262 0.65276346203734 0.42244687075771 15.999 > 16 *65 H 0.07718246901902 0.17409190912907 0.17739076356514 1.008 > 17 66 H 0.57718246901902 0.17409190912907 0.17739076356514 1.008 > 17 67 H 0.07718246901902 0.67409190912907 0.17739076356514 1.008 > 17 68 H 0.57718246901902 0.67409190912907 0.17739076356514 1.008 > 17 69 H 0.32718246901902 0.07590809087093 0.82260923643486 1.008 > 18 70 H 0.82718246901902 0.07590809087093 0.82260923643486 1.008 > 18 71 H 0.32718246901902 0.57590809087093 0.82260923643486 1.008 > 18 72 H 0.82718246901902 0.57590809087093 0.82260923643486 1.008 > 18 73 H 0.42281753098098 0.42409190912907 0.32260923643486 1.008 > 19 74 H 0.92281753098098 0.42409190912907 0.32260923643486 1.008 > 19 75 H 0.42281753098098 0.92409190912907 0.32260923643486 1.008 > 19 76 H 0.92281753098098 0.92409190912907 0.32260923643486 1.008 > 19 77 H 0.17281753098098 0.32590809087093 0.67739076356514 1.008 > 20 78 H 0.67281753098098 0.32590809087093 0.67739076356514 1.008 > 20 79 H 0.17281753098098 0.82590809087093 0.67739076356514 1.008 > 20 80 H 0.67281753098098 0.82590809087093 0.67739076356514 1.008 > 20 81 H 0.42281753098098 0.32590809087093 0.82260923643486 1.008 > 21 82 H 0.92281753098098 0.32590809087093 0.82260923643486 1.008 > 21 83 H 0.42281753098098 0.82590809087093 0.82260923643486 1.008 > 21 84 H 0.92281753098098 0.82590809087093 0.82260923643486 1.008 > 21 85 H 0.17281753098098 0.42409190912907 0.17739076356514 1.008 > 22 86 H 0.67281753098098 0.42409190912907 0.17739076356514 1.008 > 22 87 H 0.17281753098098 0.92409190912907 0.17739076356514 1.008 > 22 88 H 0.67281753098098 0.92409190912907 0.17739076356514 1.008 > 22 89 H 0.07718246901902 0.07590809087093 0.67739076356514 1.008 > 23 90 H 0.57718246901902 0.07590809087093 0.67739076356514 1.008 > 23 91 H 0.07718246901902 0.57590809087093 0.67739076356514 1.008 > 23 92 H 0.57718246901902 0.57590809087093 0.67739076356514 1.008 > 23 93 H 0.32718246901902 0.17409190912907 0.32260923643486 1.008 > 24 94 H 0.82718246901902 0.17409190912907 0.32260923643486 1.008 > 24 95 H 0.32718246901902 0.67409190912907 0.32260923643486 1.008 > 24 96 H 0.82718246901902 0.67409190912907 0.32260923643486 1.008 > 24 *97 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 25 98 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 25 99 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 25 100 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 25 101 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 26 102 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 26 103 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 26 104 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 26 105 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 27 106 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 27 107 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 27 108 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 27 109 U 0.25000000000000 0.00000000000000 0.50000000000000 238.029 > 28 110 U 0.75000000000000 0.00000000000000 0.50000000000000 238.029 > 28 111 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 28 112 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7678092 0.0000000 0.0000000 0.0000000 3.7764444 0.0000000 0.0000000 0.0000000 3.8709484 -------------------------- Born effective charges -------------------------- 1 O -0.9886220 0.2029386 0.7816881 0.1567834 -0.7739525 -0.5146584 0.7429803 -0.5107359 -2.8040621 2 O -0.9886220 -0.2029386 -0.7816881 -0.1567834 -0.7739525 -0.5146584 -0.7429803 -0.5107359 -2.8040621 3 O -0.9886220 -0.2029386 0.7816881 -0.1567834 -0.7739525 0.5146584 0.7429803 0.5107359 -2.8040621 4 O -0.9886220 0.2029386 -0.7816881 0.1567834 -0.7739525 0.5146584 -0.7429803 0.5107359 -2.8040621 5 O -0.9886220 0.2029386 0.7816881 0.1567834 -0.7739525 -0.5146584 0.7429803 -0.5107359 -2.8040621 6 O -0.9886220 -0.2029386 -0.7816881 -0.1567834 -0.7739525 -0.5146584 -0.7429803 -0.5107359 -2.8040621 7 O -0.9886220 -0.2029386 0.7816881 -0.1567834 -0.7739525 0.5146584 0.7429803 0.5107359 -2.8040621 8 O -0.9886220 0.2029386 -0.7816881 0.1567834 -0.7739525 0.5146584 -0.7429803 0.5107359 -2.8040621 9 O -2.0910895 -1.2413755 0.2686042 -1.2412896 -2.3468348 -0.3901469 0.1711542 -0.4090690 -1.5789498 10 O -2.0910895 1.2413755 -0.2686042 1.2412896 -2.3468348 -0.3901469 -0.1711542 -0.4090690 -1.5789498 11 O -2.0910895 1.2413755 0.2686042 1.2412896 -2.3468348 0.3901469 0.1711542 0.4090690 -1.5789498 12 O -2.0910895 -1.2413755 -0.2686042 -1.2412896 -2.3468348 0.3901469 -0.1711542 0.4090690 -1.5789498 13 O -2.0910895 -1.2413755 0.2686042 -1.2412896 -2.3468348 -0.3901469 0.1711542 -0.4090690 -1.5789498 14 O -2.0910895 1.2413755 -0.2686042 1.2412896 -2.3468348 -0.3901469 -0.1711542 -0.4090690 -1.5789498 15 O -2.0910895 1.2413755 0.2686042 1.2412896 -2.3468348 0.3901469 0.1711542 0.4090690 -1.5789498 16 O -2.0910895 -1.2413755 -0.2686042 -1.2412896 -2.3468348 0.3901469 -0.1711542 0.4090690 -1.5789498 17 H 0.3459847 -0.2433749 -0.3563657 -0.1646027 0.4823794 0.4887095 -0.1455917 0.5169293 1.8226021 18 H 0.3459847 0.2433749 0.3563657 0.1646027 0.4823794 0.4887095 0.1455917 0.5169293 1.8226021 19 H 0.3459847 0.2433749 -0.3563657 0.1646027 0.4823794 -0.4887095 -0.1455917 -0.5169293 1.8226021 20 H 0.3459847 -0.2433749 0.3563657 -0.1646027 0.4823794 -0.4887095 0.1455917 -0.5169293 1.8226021 21 H 0.3459847 -0.2433749 -0.3563657 -0.1646027 0.4823794 0.4887095 -0.1455917 0.5169293 1.8226021 22 H 0.3459847 0.2433749 0.3563657 0.1646027 0.4823794 0.4887095 0.1455917 0.5169293 1.8226021 23 H 0.3459847 0.2433749 -0.3563657 0.1646027 0.4823794 -0.4887095 -0.1455917 -0.5169293 1.8226021 24 H 0.3459847 -0.2433749 0.3563657 -0.1646027 0.4823794 -0.4887095 0.1455917 -0.5169293 1.8226021 25 U 5.4674537 0.3848739 0.3843509 -0.1621011 5.2768158 -0.3301709 -0.1476395 -0.1288842 5.1208196 26 U 5.4674537 -0.3848739 -0.3843509 0.1621011 5.2768158 -0.3301709 0.1476395 -0.1288842 5.1208196 27 U 5.4674537 -0.3848739 0.3843509 0.1621011 5.2768158 0.3301709 -0.1476395 0.1288842 5.1208196 28 U 5.4674537 0.3848739 -0.3843509 -0.1621011 5.2768158 0.3301709 0.1476395 0.1288842 5.1208196 ---------------------------------------------------------------------------- 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: 1857 Number of blocks in projector: 1857 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: 394 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 225 Use standard eigh solver. Tree of FC basis block matrices: - (1857, 1821), data: False |-- (225, 221), data: True |-- (225, 221), data: True |-- (225, 221), data: True |-- (394, 386), data: True |-- (394, 386), data: True |-- (394, 386), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.441 Solver_block: 200 / 480 - Time: 0.417 Solver_block: 300 / 480 - Time: 0.415 Solver_block: 400 / 480 - Time: 0.415 Solver_block: 480 / 480 - Time: 0.375 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.103 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 1857 Number of blocks in projector: 1857 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: 394 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 225 Use standard eigh solver. Tree of FC basis block matrices: - (1857, 1821), data: False |-- (225, 221), data: True |-- (225, 221), data: True |-- (225, 221), data: True |-- (394, 386), data: True |-- (394, 386), data: True |-- (394, 386), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:49:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:49:23]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752998840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.003442240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.686860149999999 Atomic positions (fractional): 1 O 0.13229114026146 0.45805970263853 0.33016054936527 15.999 2 O 0.63229114026146 0.04194029736147 0.66983945063473 15.999 3 O 0.86770885973854 0.95805970263853 0.16983945063473 15.999 4 O 0.36770885973854 0.54194029736147 0.83016054936527 15.999 5 O 0.86770885973854 0.54194029736147 0.66983945063473 15.999 6 O 0.36770885973854 0.95805970263853 0.33016054936527 15.999 7 O 0.13229114026146 0.04194029736147 0.83016054936527 15.999 8 O 0.63229114026146 0.45805970263853 0.16983945063473 15.999 9 O 0.18266979926523 0.30552692407468 0.07755312924229 15.999 10 O 0.68266979926523 0.19447307592533 0.92244687075771 15.999 11 O 0.81733020073477 0.80552692407467 0.42244687075771 15.999 12 O 0.31733020073477 0.69447307592533 0.57755312924229 15.999 13 O 0.81733020073477 0.69447307592533 0.92244687075771 15.999 14 O 0.31733020073477 0.80552692407467 0.07755312924229 15.999 15 O 0.18266979926523 0.19447307592533 0.57755312924229 15.999 16 O 0.68266979926523 0.30552692407468 0.42244687075771 15.999 17 H 0.15436493803803 0.34818381825815 0.17739076356514 1.008 18 H 0.65436493803803 0.15181618174185 0.82260923643486 1.008 19 H 0.84563506196197 0.84818381825815 0.32260923643486 1.008 20 H 0.34563506196197 0.65181618174185 0.67739076356514 1.008 21 H 0.84563506196197 0.65181618174185 0.82260923643486 1.008 22 H 0.34563506196197 0.84818381825815 0.17739076356514 1.008 23 H 0.15436493803803 0.15181618174185 0.67739076356514 1.008 24 H 0.65436493803803 0.34818381825815 0.32260923643486 1.008 25 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 26 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 27 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 28 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.505997680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.006884480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.686860149999999 Atomic positions (fractional): 1 O 0.06614557013073 0.22902985131926 0.33016054936527 15.999 > 1 2 O 0.56614557013073 0.22902985131926 0.33016054936527 15.999 > 1 3 O 0.06614557013073 0.72902985131926 0.33016054936527 15.999 > 1 4 O 0.56614557013073 0.72902985131926 0.33016054936527 15.999 > 1 5 O 0.31614557013073 0.02097014868074 0.66983945063473 15.999 > 5 6 O 0.81614557013073 0.02097014868074 0.66983945063473 15.999 > 5 7 O 0.31614557013073 0.52097014868074 0.66983945063473 15.999 > 5 8 O 0.81614557013073 0.52097014868074 0.66983945063473 15.999 > 5 9 O 0.43385442986927 0.47902985131926 0.16983945063473 15.999 > 9 10 O 0.93385442986927 0.47902985131926 0.16983945063473 15.999 > 9 11 O 0.43385442986927 0.97902985131926 0.16983945063473 15.999 > 9 12 O 0.93385442986927 0.97902985131926 0.16983945063473 15.999 > 9 13 O 0.18385442986927 0.27097014868074 0.83016054936527 15.999 > 13 14 O 0.68385442986927 0.27097014868074 0.83016054936527 15.999 > 13 15 O 0.18385442986927 0.77097014868074 0.83016054936527 15.999 > 13 16 O 0.68385442986927 0.77097014868074 0.83016054936527 15.999 > 13 17 O 0.43385442986927 0.27097014868074 0.66983945063473 15.999 > 17 18 O 0.93385442986927 0.27097014868074 0.66983945063473 15.999 > 17 19 O 0.43385442986927 0.77097014868074 0.66983945063473 15.999 > 17 20 O 0.93385442986927 0.77097014868074 0.66983945063473 15.999 > 17 21 O 0.18385442986927 0.47902985131926 0.33016054936527 15.999 > 21 22 O 0.68385442986927 0.47902985131926 0.33016054936527 15.999 > 21 23 O 0.18385442986927 0.97902985131926 0.33016054936527 15.999 > 21 24 O 0.68385442986927 0.97902985131926 0.33016054936527 15.999 > 21 25 O 0.06614557013073 0.02097014868074 0.83016054936527 15.999 > 25 26 O 0.56614557013073 0.02097014868074 0.83016054936527 15.999 > 25 27 O 0.06614557013073 0.52097014868074 0.83016054936527 15.999 > 25 28 O 0.56614557013073 0.52097014868074 0.83016054936527 15.999 > 25 29 O 0.31614557013073 0.22902985131926 0.16983945063473 15.999 > 29 30 O 0.81614557013073 0.22902985131926 0.16983945063473 15.999 > 29 31 O 0.31614557013073 0.72902985131926 0.16983945063473 15.999 > 29 32 O 0.81614557013073 0.72902985131926 0.16983945063473 15.999 > 29 33 O 0.09133489963262 0.15276346203734 0.07755312924229 15.999 > 33 34 O 0.59133489963262 0.15276346203734 0.07755312924229 15.999 > 33 35 O 0.09133489963262 0.65276346203734 0.07755312924229 15.999 > 33 36 O 0.59133489963262 0.65276346203734 0.07755312924229 15.999 > 33 37 O 0.34133489963262 0.09723653796266 0.92244687075771 15.999 > 37 38 O 0.84133489963262 0.09723653796266 0.92244687075771 15.999 > 37 39 O 0.34133489963262 0.59723653796266 0.92244687075771 15.999 > 37 40 O 0.84133489963262 0.59723653796266 0.92244687075771 15.999 > 37 41 O 0.40866510036738 0.40276346203734 0.42244687075771 15.999 > 41 42 O 0.90866510036738 0.40276346203734 0.42244687075771 15.999 > 41 43 O 0.40866510036738 0.90276346203734 0.42244687075771 15.999 > 41 44 O 0.90866510036738 0.90276346203734 0.42244687075771 15.999 > 41 45 O 0.15866510036738 0.34723653796266 0.57755312924229 15.999 > 45 46 O 0.65866510036738 0.34723653796266 0.57755312924229 15.999 > 45 47 O 0.15866510036738 0.84723653796266 0.57755312924229 15.999 > 45 48 O 0.65866510036738 0.84723653796266 0.57755312924229 15.999 > 45 49 O 0.40866510036738 0.34723653796266 0.92244687075771 15.999 > 49 50 O 0.90866510036738 0.34723653796266 0.92244687075771 15.999 > 49 51 O 0.40866510036738 0.84723653796266 0.92244687075771 15.999 > 49 52 O 0.90866510036738 0.84723653796266 0.92244687075771 15.999 > 49 53 O 0.15866510036738 0.40276346203734 0.07755312924229 15.999 > 53 54 O 0.65866510036738 0.40276346203734 0.07755312924229 15.999 > 53 55 O 0.15866510036738 0.90276346203734 0.07755312924229 15.999 > 53 56 O 0.65866510036738 0.90276346203734 0.07755312924229 15.999 > 53 57 O 0.09133489963262 0.09723653796266 0.57755312924229 15.999 > 57 58 O 0.59133489963262 0.09723653796266 0.57755312924229 15.999 > 57 59 O 0.09133489963262 0.59723653796266 0.57755312924229 15.999 > 57 60 O 0.59133489963262 0.59723653796266 0.57755312924229 15.999 > 57 61 O 0.34133489963262 0.15276346203734 0.42244687075771 15.999 > 61 62 O 0.84133489963262 0.15276346203734 0.42244687075771 15.999 > 61 63 O 0.34133489963262 0.65276346203734 0.42244687075771 15.999 > 61 64 O 0.84133489963262 0.65276346203734 0.42244687075771 15.999 > 61 65 H 0.07718246901902 0.17409190912907 0.17739076356514 1.008 > 65 66 H 0.57718246901902 0.17409190912907 0.17739076356514 1.008 > 65 67 H 0.07718246901902 0.67409190912907 0.17739076356514 1.008 > 65 68 H 0.57718246901902 0.67409190912907 0.17739076356514 1.008 > 65 69 H 0.32718246901902 0.07590809087093 0.82260923643486 1.008 > 69 70 H 0.82718246901902 0.07590809087093 0.82260923643486 1.008 > 69 71 H 0.32718246901902 0.57590809087093 0.82260923643486 1.008 > 69 72 H 0.82718246901902 0.57590809087093 0.82260923643486 1.008 > 69 73 H 0.42281753098098 0.42409190912907 0.32260923643486 1.008 > 73 74 H 0.92281753098098 0.42409190912907 0.32260923643486 1.008 > 73 75 H 0.42281753098098 0.92409190912907 0.32260923643486 1.008 > 73 76 H 0.92281753098098 0.92409190912907 0.32260923643486 1.008 > 73 77 H 0.17281753098098 0.32590809087093 0.67739076356514 1.008 > 77 78 H 0.67281753098098 0.32590809087093 0.67739076356514 1.008 > 77 79 H 0.17281753098098 0.82590809087093 0.67739076356514 1.008 > 77 80 H 0.67281753098098 0.82590809087093 0.67739076356514 1.008 > 77 81 H 0.42281753098098 0.32590809087093 0.82260923643486 1.008 > 81 82 H 0.92281753098098 0.32590809087093 0.82260923643486 1.008 > 81 83 H 0.42281753098098 0.82590809087093 0.82260923643486 1.008 > 81 84 H 0.92281753098098 0.82590809087093 0.82260923643486 1.008 > 81 85 H 0.17281753098098 0.42409190912907 0.17739076356514 1.008 > 85 86 H 0.67281753098098 0.42409190912907 0.17739076356514 1.008 > 85 87 H 0.17281753098098 0.92409190912907 0.17739076356514 1.008 > 85 88 H 0.67281753098098 0.92409190912907 0.17739076356514 1.008 > 85 89 H 0.07718246901902 0.07590809087093 0.67739076356514 1.008 > 89 90 H 0.57718246901902 0.07590809087093 0.67739076356514 1.008 > 89 91 H 0.07718246901902 0.57590809087093 0.67739076356514 1.008 > 89 92 H 0.57718246901902 0.57590809087093 0.67739076356514 1.008 > 89 93 H 0.32718246901902 0.17409190912907 0.32260923643486 1.008 > 93 94 H 0.82718246901902 0.17409190912907 0.32260923643486 1.008 > 93 95 H 0.32718246901902 0.67409190912907 0.32260923643486 1.008 > 93 96 H 0.82718246901902 0.67409190912907 0.32260923643486 1.008 > 93 97 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 97 98 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 97 99 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 97 100 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 97 101 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 101 102 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 101 103 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 101 104 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 101 105 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 105 106 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 105 107 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 105 108 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 105 109 U 0.25000000000000 0.00000000000000 0.50000000000000 238.029 > 109 110 U 0.75000000000000 0.00000000000000 0.50000000000000 238.029 > 109 111 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 109 112 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7678092 0.0000000 0.0000000 0.0000000 3.7764444 0.0000000 0.0000000 0.0000000 3.8709484 -------------------------- Born effective charges -------------------------- 1 O -0.9886220 0.2029386 0.7816881 0.1567834 -0.7739525 -0.5146584 0.7429803 -0.5107359 -2.8040621 2 O -0.9886220 -0.2029386 -0.7816881 -0.1567834 -0.7739525 -0.5146584 -0.7429803 -0.5107359 -2.8040621 3 O -0.9886220 -0.2029386 0.7816881 -0.1567834 -0.7739525 0.5146584 0.7429803 0.5107359 -2.8040621 4 O -0.9886220 0.2029386 -0.7816881 0.1567834 -0.7739525 0.5146584 -0.7429803 0.5107359 -2.8040621 5 O -0.9886220 0.2029386 0.7816881 0.1567834 -0.7739525 -0.5146584 0.7429803 -0.5107359 -2.8040621 6 O -0.9886220 -0.2029386 -0.7816881 -0.1567834 -0.7739525 -0.5146584 -0.7429803 -0.5107359 -2.8040621 7 O -0.9886220 -0.2029386 0.7816881 -0.1567834 -0.7739525 0.5146584 0.7429803 0.5107359 -2.8040621 8 O -0.9886220 0.2029386 -0.7816881 0.1567834 -0.7739525 0.5146584 -0.7429803 0.5107359 -2.8040621 9 O -2.0910895 -1.2413755 0.2686042 -1.2412896 -2.3468348 -0.3901469 0.1711542 -0.4090690 -1.5789498 10 O -2.0910895 1.2413755 -0.2686042 1.2412896 -2.3468348 -0.3901469 -0.1711542 -0.4090690 -1.5789498 11 O -2.0910895 1.2413755 0.2686042 1.2412896 -2.3468348 0.3901469 0.1711542 0.4090690 -1.5789498 12 O -2.0910895 -1.2413755 -0.2686042 -1.2412896 -2.3468348 0.3901469 -0.1711542 0.4090690 -1.5789498 13 O -2.0910895 -1.2413755 0.2686042 -1.2412896 -2.3468348 -0.3901469 0.1711542 -0.4090690 -1.5789498 14 O -2.0910895 1.2413755 -0.2686042 1.2412896 -2.3468348 -0.3901469 -0.1711542 -0.4090690 -1.5789498 15 O -2.0910895 1.2413755 0.2686042 1.2412896 -2.3468348 0.3901469 0.1711542 0.4090690 -1.5789498 16 O -2.0910895 -1.2413755 -0.2686042 -1.2412896 -2.3468348 0.3901469 -0.1711542 0.4090690 -1.5789498 17 H 0.3459847 -0.2433749 -0.3563657 -0.1646027 0.4823794 0.4887095 -0.1455917 0.5169293 1.8226021 18 H 0.3459847 0.2433749 0.3563657 0.1646027 0.4823794 0.4887095 0.1455917 0.5169293 1.8226021 19 H 0.3459847 0.2433749 -0.3563657 0.1646027 0.4823794 -0.4887095 -0.1455917 -0.5169293 1.8226021 20 H 0.3459847 -0.2433749 0.3563657 -0.1646027 0.4823794 -0.4887095 0.1455917 -0.5169293 1.8226021 21 H 0.3459847 -0.2433749 -0.3563657 -0.1646027 0.4823794 0.4887095 -0.1455917 0.5169293 1.8226021 22 H 0.3459847 0.2433749 0.3563657 0.1646027 0.4823794 0.4887095 0.1455917 0.5169293 1.8226021 23 H 0.3459847 0.2433749 -0.3563657 0.1646027 0.4823794 -0.4887095 -0.1455917 -0.5169293 1.8226021 24 H 0.3459847 -0.2433749 0.3563657 -0.1646027 0.4823794 -0.4887095 0.1455917 -0.5169293 1.8226021 25 U 5.4674537 0.3848739 0.3843509 -0.1621011 5.2768158 -0.3301709 -0.1476395 -0.1288842 5.1208196 26 U 5.4674537 -0.3848739 -0.3843509 0.1621011 5.2768158 -0.3301709 0.1476395 -0.1288842 5.1208196 27 U 5.4674537 -0.3848739 0.3843509 0.1621011 5.2768158 0.3301709 -0.1476395 0.1288842 5.1208196 28 U 5.4674537 0.3848739 -0.3843509 -0.1621011 5.2768158 0.3301709 0.1476395 0.1288842 5.1208196 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: 0.00000010 (zzz) 0.00000010 (zzz) 0.00000010 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:49:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:49:40]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752998840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.003442240000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.686860149999999 Atomic positions (fractional): 1 O 0.13229114026146 0.45805970263853 0.33016054936527 15.999 2 O 0.63229114026146 0.04194029736147 0.66983945063473 15.999 3 O 0.86770885973854 0.95805970263853 0.16983945063473 15.999 4 O 0.36770885973854 0.54194029736147 0.83016054936527 15.999 5 O 0.86770885973854 0.54194029736147 0.66983945063473 15.999 6 O 0.36770885973854 0.95805970263853 0.33016054936527 15.999 7 O 0.13229114026146 0.04194029736147 0.83016054936527 15.999 8 O 0.63229114026146 0.45805970263853 0.16983945063473 15.999 9 O 0.18266979926523 0.30552692407468 0.07755312924229 15.999 10 O 0.68266979926523 0.19447307592533 0.92244687075771 15.999 11 O 0.81733020073477 0.80552692407467 0.42244687075771 15.999 12 O 0.31733020073477 0.69447307592533 0.57755312924229 15.999 13 O 0.81733020073477 0.69447307592533 0.92244687075771 15.999 14 O 0.31733020073477 0.80552692407467 0.07755312924229 15.999 15 O 0.18266979926523 0.19447307592533 0.57755312924229 15.999 16 O 0.68266979926523 0.30552692407468 0.42244687075771 15.999 17 H 0.15436493803803 0.34818381825815 0.17739076356514 1.008 18 H 0.65436493803803 0.15181618174185 0.82260923643486 1.008 19 H 0.84563506196197 0.84818381825815 0.32260923643486 1.008 20 H 0.34563506196197 0.65181618174185 0.67739076356514 1.008 21 H 0.84563506196197 0.65181618174185 0.82260923643486 1.008 22 H 0.34563506196197 0.84818381825815 0.17739076356514 1.008 23 H 0.15436493803803 0.15181618174185 0.67739076356514 1.008 24 H 0.65436493803803 0.34818381825815 0.32260923643486 1.008 25 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 26 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 27 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 28 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.505997680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.006884480000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.686860149999999 Atomic positions (fractional): 1 O 0.06614557013073 0.22902985131926 0.33016054936527 15.999 > 1 2 O 0.56614557013073 0.22902985131926 0.33016054936527 15.999 > 1 3 O 0.06614557013073 0.72902985131926 0.33016054936527 15.999 > 1 4 O 0.56614557013073 0.72902985131926 0.33016054936527 15.999 > 1 5 O 0.31614557013073 0.02097014868074 0.66983945063473 15.999 > 5 6 O 0.81614557013073 0.02097014868074 0.66983945063473 15.999 > 5 7 O 0.31614557013073 0.52097014868074 0.66983945063473 15.999 > 5 8 O 0.81614557013073 0.52097014868074 0.66983945063473 15.999 > 5 9 O 0.43385442986927 0.47902985131926 0.16983945063473 15.999 > 9 10 O 0.93385442986927 0.47902985131926 0.16983945063473 15.999 > 9 11 O 0.43385442986927 0.97902985131926 0.16983945063473 15.999 > 9 12 O 0.93385442986927 0.97902985131926 0.16983945063473 15.999 > 9 13 O 0.18385442986927 0.27097014868074 0.83016054936527 15.999 > 13 14 O 0.68385442986927 0.27097014868074 0.83016054936527 15.999 > 13 15 O 0.18385442986927 0.77097014868074 0.83016054936527 15.999 > 13 16 O 0.68385442986927 0.77097014868074 0.83016054936527 15.999 > 13 17 O 0.43385442986927 0.27097014868074 0.66983945063473 15.999 > 17 18 O 0.93385442986927 0.27097014868074 0.66983945063473 15.999 > 17 19 O 0.43385442986927 0.77097014868074 0.66983945063473 15.999 > 17 20 O 0.93385442986927 0.77097014868074 0.66983945063473 15.999 > 17 21 O 0.18385442986927 0.47902985131926 0.33016054936527 15.999 > 21 22 O 0.68385442986927 0.47902985131926 0.33016054936527 15.999 > 21 23 O 0.18385442986927 0.97902985131926 0.33016054936527 15.999 > 21 24 O 0.68385442986927 0.97902985131926 0.33016054936527 15.999 > 21 25 O 0.06614557013073 0.02097014868074 0.83016054936527 15.999 > 25 26 O 0.56614557013073 0.02097014868074 0.83016054936527 15.999 > 25 27 O 0.06614557013073 0.52097014868074 0.83016054936527 15.999 > 25 28 O 0.56614557013073 0.52097014868074 0.83016054936527 15.999 > 25 29 O 0.31614557013073 0.22902985131926 0.16983945063473 15.999 > 29 30 O 0.81614557013073 0.22902985131926 0.16983945063473 15.999 > 29 31 O 0.31614557013073 0.72902985131926 0.16983945063473 15.999 > 29 32 O 0.81614557013073 0.72902985131926 0.16983945063473 15.999 > 29 33 O 0.09133489963262 0.15276346203734 0.07755312924229 15.999 > 33 34 O 0.59133489963262 0.15276346203734 0.07755312924229 15.999 > 33 35 O 0.09133489963262 0.65276346203734 0.07755312924229 15.999 > 33 36 O 0.59133489963262 0.65276346203734 0.07755312924229 15.999 > 33 37 O 0.34133489963262 0.09723653796266 0.92244687075771 15.999 > 37 38 O 0.84133489963262 0.09723653796266 0.92244687075771 15.999 > 37 39 O 0.34133489963262 0.59723653796266 0.92244687075771 15.999 > 37 40 O 0.84133489963262 0.59723653796266 0.92244687075771 15.999 > 37 41 O 0.40866510036738 0.40276346203734 0.42244687075771 15.999 > 41 42 O 0.90866510036738 0.40276346203734 0.42244687075771 15.999 > 41 43 O 0.40866510036738 0.90276346203734 0.42244687075771 15.999 > 41 44 O 0.90866510036738 0.90276346203734 0.42244687075771 15.999 > 41 45 O 0.15866510036738 0.34723653796266 0.57755312924229 15.999 > 45 46 O 0.65866510036738 0.34723653796266 0.57755312924229 15.999 > 45 47 O 0.15866510036738 0.84723653796266 0.57755312924229 15.999 > 45 48 O 0.65866510036738 0.84723653796266 0.57755312924229 15.999 > 45 49 O 0.40866510036738 0.34723653796266 0.92244687075771 15.999 > 49 50 O 0.90866510036738 0.34723653796266 0.92244687075771 15.999 > 49 51 O 0.40866510036738 0.84723653796266 0.92244687075771 15.999 > 49 52 O 0.90866510036738 0.84723653796266 0.92244687075771 15.999 > 49 53 O 0.15866510036738 0.40276346203734 0.07755312924229 15.999 > 53 54 O 0.65866510036738 0.40276346203734 0.07755312924229 15.999 > 53 55 O 0.15866510036738 0.90276346203734 0.07755312924229 15.999 > 53 56 O 0.65866510036738 0.90276346203734 0.07755312924229 15.999 > 53 57 O 0.09133489963262 0.09723653796266 0.57755312924229 15.999 > 57 58 O 0.59133489963262 0.09723653796266 0.57755312924229 15.999 > 57 59 O 0.09133489963262 0.59723653796266 0.57755312924229 15.999 > 57 60 O 0.59133489963262 0.59723653796266 0.57755312924229 15.999 > 57 61 O 0.34133489963262 0.15276346203734 0.42244687075771 15.999 > 61 62 O 0.84133489963262 0.15276346203734 0.42244687075771 15.999 > 61 63 O 0.34133489963262 0.65276346203734 0.42244687075771 15.999 > 61 64 O 0.84133489963262 0.65276346203734 0.42244687075771 15.999 > 61 65 H 0.07718246901902 0.17409190912907 0.17739076356514 1.008 > 65 66 H 0.57718246901902 0.17409190912907 0.17739076356514 1.008 > 65 67 H 0.07718246901902 0.67409190912907 0.17739076356514 1.008 > 65 68 H 0.57718246901902 0.67409190912907 0.17739076356514 1.008 > 65 69 H 0.32718246901902 0.07590809087093 0.82260923643486 1.008 > 69 70 H 0.82718246901902 0.07590809087093 0.82260923643486 1.008 > 69 71 H 0.32718246901902 0.57590809087093 0.82260923643486 1.008 > 69 72 H 0.82718246901902 0.57590809087093 0.82260923643486 1.008 > 69 73 H 0.42281753098098 0.42409190912907 0.32260923643486 1.008 > 73 74 H 0.92281753098098 0.42409190912907 0.32260923643486 1.008 > 73 75 H 0.42281753098098 0.92409190912907 0.32260923643486 1.008 > 73 76 H 0.92281753098098 0.92409190912907 0.32260923643486 1.008 > 73 77 H 0.17281753098098 0.32590809087093 0.67739076356514 1.008 > 77 78 H 0.67281753098098 0.32590809087093 0.67739076356514 1.008 > 77 79 H 0.17281753098098 0.82590809087093 0.67739076356514 1.008 > 77 80 H 0.67281753098098 0.82590809087093 0.67739076356514 1.008 > 77 81 H 0.42281753098098 0.32590809087093 0.82260923643486 1.008 > 81 82 H 0.92281753098098 0.32590809087093 0.82260923643486 1.008 > 81 83 H 0.42281753098098 0.82590809087093 0.82260923643486 1.008 > 81 84 H 0.92281753098098 0.82590809087093 0.82260923643486 1.008 > 81 85 H 0.17281753098098 0.42409190912907 0.17739076356514 1.008 > 85 86 H 0.67281753098098 0.42409190912907 0.17739076356514 1.008 > 85 87 H 0.17281753098098 0.92409190912907 0.17739076356514 1.008 > 85 88 H 0.67281753098098 0.92409190912907 0.17739076356514 1.008 > 85 89 H 0.07718246901902 0.07590809087093 0.67739076356514 1.008 > 89 90 H 0.57718246901902 0.07590809087093 0.67739076356514 1.008 > 89 91 H 0.07718246901902 0.57590809087093 0.67739076356514 1.008 > 89 92 H 0.57718246901902 0.57590809087093 0.67739076356514 1.008 > 89 93 H 0.32718246901902 0.17409190912907 0.32260923643486 1.008 > 93 94 H 0.82718246901902 0.17409190912907 0.32260923643486 1.008 > 93 95 H 0.32718246901902 0.67409190912907 0.32260923643486 1.008 > 93 96 H 0.82718246901902 0.67409190912907 0.32260923643486 1.008 > 93 97 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 97 98 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 97 99 U 0.00000000000000 0.50000000000000 0.00000000000000 238.029 > 97 100 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 97 101 U 0.25000000000000 0.25000000000000 0.00000000000000 238.029 > 101 102 U 0.75000000000000 0.25000000000000 0.00000000000000 238.029 > 101 103 U 0.25000000000000 0.75000000000000 0.00000000000000 238.029 > 101 104 U 0.75000000000000 0.75000000000000 0.00000000000000 238.029 > 101 105 U 0.00000000000000 0.25000000000000 0.50000000000000 238.029 > 105 106 U 0.50000000000000 0.25000000000000 0.50000000000000 238.029 > 105 107 U 0.00000000000000 0.75000000000000 0.50000000000000 238.029 > 105 108 U 0.50000000000000 0.75000000000000 0.50000000000000 238.029 > 105 109 U 0.25000000000000 0.00000000000000 0.50000000000000 238.029 > 109 110 U 0.75000000000000 0.00000000000000 0.50000000000000 238.029 > 109 111 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 109 112 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7678092 0.0000000 0.0000000 0.0000000 3.7764444 0.0000000 0.0000000 0.0000000 3.8709484 -------------------------- Born effective charges -------------------------- 1 O -0.9886220 0.2029386 0.7816881 0.1567834 -0.7739525 -0.5146584 0.7429803 -0.5107359 -2.8040621 2 O -0.9886220 -0.2029386 -0.7816881 -0.1567834 -0.7739525 -0.5146584 -0.7429803 -0.5107359 -2.8040621 3 O -0.9886220 -0.2029386 0.7816881 -0.1567834 -0.7739525 0.5146584 0.7429803 0.5107359 -2.8040621 4 O -0.9886220 0.2029386 -0.7816881 0.1567834 -0.7739525 0.5146584 -0.7429803 0.5107359 -2.8040621 5 O -0.9886220 0.2029386 0.7816881 0.1567834 -0.7739525 -0.5146584 0.7429803 -0.5107359 -2.8040621 6 O -0.9886220 -0.2029386 -0.7816881 -0.1567834 -0.7739525 -0.5146584 -0.7429803 -0.5107359 -2.8040621 7 O -0.9886220 -0.2029386 0.7816881 -0.1567834 -0.7739525 0.5146584 0.7429803 0.5107359 -2.8040621 8 O -0.9886220 0.2029386 -0.7816881 0.1567834 -0.7739525 0.5146584 -0.7429803 0.5107359 -2.8040621 9 O -2.0910895 -1.2413755 0.2686042 -1.2412896 -2.3468348 -0.3901469 0.1711542 -0.4090690 -1.5789498 10 O -2.0910895 1.2413755 -0.2686042 1.2412896 -2.3468348 -0.3901469 -0.1711542 -0.4090690 -1.5789498 11 O -2.0910895 1.2413755 0.2686042 1.2412896 -2.3468348 0.3901469 0.1711542 0.4090690 -1.5789498 12 O -2.0910895 -1.2413755 -0.2686042 -1.2412896 -2.3468348 0.3901469 -0.1711542 0.4090690 -1.5789498 13 O -2.0910895 -1.2413755 0.2686042 -1.2412896 -2.3468348 -0.3901469 0.1711542 -0.4090690 -1.5789498 14 O -2.0910895 1.2413755 -0.2686042 1.2412896 -2.3468348 -0.3901469 -0.1711542 -0.4090690 -1.5789498 15 O -2.0910895 1.2413755 0.2686042 1.2412896 -2.3468348 0.3901469 0.1711542 0.4090690 -1.5789498 16 O -2.0910895 -1.2413755 -0.2686042 -1.2412896 -2.3468348 0.3901469 -0.1711542 0.4090690 -1.5789498 17 H 0.3459847 -0.2433749 -0.3563657 -0.1646027 0.4823794 0.4887095 -0.1455917 0.5169293 1.8226021 18 H 0.3459847 0.2433749 0.3563657 0.1646027 0.4823794 0.4887095 0.1455917 0.5169293 1.8226021 19 H 0.3459847 0.2433749 -0.3563657 0.1646027 0.4823794 -0.4887095 -0.1455917 -0.5169293 1.8226021 20 H 0.3459847 -0.2433749 0.3563657 -0.1646027 0.4823794 -0.4887095 0.1455917 -0.5169293 1.8226021 21 H 0.3459847 -0.2433749 -0.3563657 -0.1646027 0.4823794 0.4887095 -0.1455917 0.5169293 1.8226021 22 H 0.3459847 0.2433749 0.3563657 0.1646027 0.4823794 0.4887095 0.1455917 0.5169293 1.8226021 23 H 0.3459847 0.2433749 -0.3563657 0.1646027 0.4823794 -0.4887095 -0.1455917 -0.5169293 1.8226021 24 H 0.3459847 -0.2433749 0.3563657 -0.1646027 0.4823794 -0.4887095 0.1455917 -0.5169293 1.8226021 25 U 5.4674537 0.3848739 0.3843509 -0.1621011 5.2768158 -0.3301709 -0.1476395 -0.1288842 5.1208196 26 U 5.4674537 -0.3848739 -0.3843509 0.1621011 5.2768158 -0.3301709 0.1476395 -0.1288842 5.1208196 27 U 5.4674537 -0.3848739 0.3843509 0.1621011 5.2768158 0.3301709 -0.1476395 0.1288842 5.1208196 28 U 5.4674537 0.3848739 -0.3843509 -0.1621011 5.2768158 0.3301709 0.1476395 0.1288842 5.1208196 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (zzz) 0.00000010 (zzz) 0.00000010 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 10.751 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 0.000) 0.000 11.164 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.571 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.700 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 12.969 ( 0.000 0.000 0.000) 0.000 15.339 ( 0.000 0.000 0.000) 0.000 15.463 ( 0.000 0.000 0.000) 0.000 21.988 ( 0.000 0.000 0.000) 0.000 22.133 ( 0.000 0.000 0.000) 0.000 22.916 ( 0.000 0.000 0.000) 0.000 22.938 ( 0.000 0.000 0.000) 0.000 22.957 ( 0.000 0.000 0.000) 0.000 23.139 ( 0.000 0.000 0.000) 0.000 23.504 ( 0.000 0.000 0.000) 0.000 23.542 ( 0.000 0.000 0.000) 0.000 23.637 ( 0.000 0.000 0.000) 0.000 24.003 ( 0.000 0.000 0.000) 0.000 24.281 ( 0.000 0.000 0.000) 0.000 25.402 ( 0.000 0.000 0.000) 0.000 25.427 ( 0.000 0.000 0.000) 0.000 25.480 ( 0.000 0.000 0.000) 0.000 25.584 ( 0.000 0.000 0.000) 0.000 26.870 ( 0.000 0.000 0.000) 0.000 29.784 ( 0.000 0.000 0.000) 0.000 29.888 ( 0.000 0.000 0.000) 0.000 30.623 ( 0.000 0.000 0.000) 0.000 30.638 ( 0.000 0.000 0.000) 0.000 30.817 ( 0.000 0.000 0.000) 0.000 30.827 ( 0.000 0.000 0.000) 0.000 30.853 ( 0.000 0.000 0.000) 0.000 31.229 ( 0.000 0.000 0.000) 0.000 88.892 ( 0.000 0.000 0.000) 0.000 88.978 ( 0.000 0.000 0.000) 0.000 89.006 ( 0.000 0.000 0.000) 0.000 89.029 ( 0.000 0.000 0.000) 0.000 89.036 ( 0.000 0.000 0.000) 0.000 89.159 ( 0.000 0.000 0.000) 0.000 89.440 ( 0.000 0.000 0.000) 0.000 94.445 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 17.326 0.000 0.000) 17.326 0.534 ( 27.192 0.000 0.000) 27.192 0.544 ( 27.833 0.000 0.000) 27.833 1.312 ( 10.069 0.000 0.000) 10.069 1.332 ( 7.377 0.000 0.000) 7.377 2.110 ( -5.924 0.000 0.000) 5.924 2.490 ( 2.305 0.000 0.000) 2.305 2.629 ( 7.345 0.000 0.000) 7.345 2.760 ( -2.493 0.000 0.000) 2.493 3.093 ( -4.749 0.000 0.000) 4.749 3.141 ( -7.164 0.000 0.000) 7.164 3.299 ( -6.934 0.000 0.000) 6.934 3.664 ( 0.416 0.000 0.000) 0.416 3.668 ( -1.679 0.000 0.000) 1.679 4.062 ( -1.231 0.000 0.000) 1.231 4.333 ( -4.998 0.000 0.000) 4.998 4.360 ( 1.509 0.000 0.000) 1.509 4.738 ( -5.853 0.000 0.000) 5.853 4.849 ( -4.130 0.000 0.000) 4.130 4.962 ( -1.773 0.000 0.000) 1.773 5.014 ( 0.391 0.000 0.000) 0.391 5.198 ( 4.912 0.000 0.000) 4.912 5.437 ( 0.979 0.000 0.000) 0.979 5.450 ( 10.215 0.000 0.000) 10.215 5.908 ( -3.453 0.000 0.000) 3.453 6.132 ( 5.009 0.000 0.000) 5.009 6.188 ( -4.545 0.000 0.000) 4.545 6.325 ( 5.507 0.000 0.000) 5.507 6.697 ( 4.166 0.000 0.000) 4.166 6.866 ( 1.093 0.000 0.000) 1.093 6.876 ( -3.719 0.000 0.000) 3.719 6.956 ( -2.558 0.000 0.000) 2.558 7.016 ( -0.074 0.000 0.000) 0.074 7.162 ( -0.870 0.000 0.000) 0.870 7.239 ( 0.659 0.000 0.000) 0.659 7.269 ( -1.892 0.000 0.000) 1.892 10.750 ( 2.648 0.000 0.000) 2.648 10.761 ( 1.351 0.000 0.000) 1.351 11.156 ( -1.641 0.000 0.000) 1.641 11.252 ( 8.816 0.000 0.000) 8.816 11.335 ( -1.707 0.000 0.000) 1.707 11.581 ( 1.066 0.000 0.000) 1.066 11.770 ( 0.490 0.000 0.000) 0.490 11.983 ( -1.902 0.000 0.000) 1.902 12.031 ( 3.091 0.000 0.000) 3.091 12.062 ( 3.622 0.000 0.000) 3.622 12.685 ( -1.526 0.000 0.000) 1.526 12.730 ( 6.898 0.000 0.000) 6.898 12.946 ( -2.353 0.000 0.000) 2.353 15.044 ( 0.805 0.000 0.000) 0.805 15.299 ( -4.444 0.000 0.000) 4.444 15.447 ( -1.635 0.000 0.000) 1.635 22.021 ( 3.394 0.000 0.000) 3.394 22.149 ( 1.627 0.000 0.000) 1.627 22.904 ( -3.463 0.000 0.000) 3.463 22.919 ( -3.745 0.000 0.000) 3.745 22.920 ( 0.367 0.000 0.000) 0.367 23.510 ( 0.528 0.000 0.000) 0.528 23.515 ( -2.764 0.000 0.000) 2.764 23.630 ( -0.733 0.000 0.000) 0.733 24.018 ( 1.478 0.000 0.000) 1.478 24.281 ( 0.347 0.000 0.000) 0.347 24.293 ( 1.269 0.000 0.000) 1.269 25.328 ( -8.017 0.000 0.000) 8.017 25.480 ( 0.028 0.000 0.000) 0.028 25.633 ( -0.990 0.000 0.000) 0.990 25.674 ( 7.076 0.000 0.000) 7.076 26.839 ( -3.154 0.000 0.000) 3.154 29.807 ( 2.317 0.000 0.000) 2.317 29.906 ( 1.792 0.000 0.000) 1.792 30.572 ( -5.335 0.000 0.000) 5.335 30.578 ( -4.038 0.000 0.000) 4.038 30.834 ( 1.726 0.000 0.000) 1.726 30.887 ( 2.882 0.000 0.000) 2.882 30.900 ( 5.996 0.000 0.000) 5.996 31.567 ( -1.219 0.000 0.000) 1.219 88.978 ( 0.005 0.000 0.000) 0.005 88.997 ( -0.938 0.000 0.000) 0.938 89.025 ( -1.111 0.000 0.000) 1.111 89.026 ( -0.319 0.000 0.000) 0.319 89.159 ( 0.082 0.000 0.000) 0.082 89.211 ( -0.292 0.000 0.000) 0.292 89.489 ( 5.374 0.000 0.000) 5.374 94.160 ( -28.552 0.000 0.000) 28.552 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 16.690 0.000 0.000) 16.690 1.043 ( 25.279 0.000 0.000) 25.279 1.068 ( 26.227 0.000 0.000) 26.227 1.515 ( 10.947 0.000 0.000) 10.947 1.572 ( 16.133 0.000 0.000) 16.133 1.971 ( -8.273 0.000 0.000) 8.273 2.546 ( 3.171 0.000 0.000) 3.171 2.678 ( -6.190 0.000 0.000) 6.190 2.770 ( 5.662 0.000 0.000) 5.662 2.954 ( -11.772 0.000 0.000) 11.772 2.978 ( -6.412 0.000 0.000) 6.412 3.108 ( -12.560 0.000 0.000) 12.560 3.644 ( 0.217 0.000 0.000) 0.217 3.678 ( 1.268 0.000 0.000) 1.268 4.024 ( -2.682 0.000 0.000) 2.682 4.238 ( -4.012 0.000 0.000) 4.012 4.404 ( 3.004 0.000 0.000) 3.004 4.605 ( -7.779 0.000 0.000) 7.779 4.712 ( -9.405 0.000 0.000) 9.405 4.872 ( -5.928 0.000 0.000) 5.928 5.077 ( 4.713 0.000 0.000) 4.713 5.305 ( 5.274 0.000 0.000) 5.274 5.471 ( 2.306 0.000 0.000) 2.306 5.687 ( 12.126 0.000 0.000) 12.126 5.831 ( -2.757 0.000 0.000) 2.757 6.114 ( -2.189 0.000 0.000) 2.189 6.247 ( 6.185 0.000 0.000) 6.185 6.452 ( 6.943 0.000 0.000) 6.943 6.776 ( 3.477 0.000 0.000) 3.477 6.794 ( -4.184 0.000 0.000) 4.184 6.886 ( -4.489 0.000 0.000) 4.489 6.888 ( 0.925 0.000 0.000) 0.925 7.015 ( 0.004 0.000 0.000) 0.004 7.140 ( -1.385 0.000 0.000) 1.385 7.218 ( -3.325 0.000 0.000) 3.325 7.241 ( -0.697 0.000 0.000) 0.697 10.809 ( 3.553 0.000 0.000) 3.553 10.822 ( 4.611 0.000 0.000) 4.611 11.117 ( -2.135 0.000 0.000) 2.135 11.289 ( -3.034 0.000 0.000) 3.034 11.454 ( 10.844 0.000 0.000) 10.844 11.611 ( 1.937 0.000 0.000) 1.937 11.779 ( 0.383 0.000 0.000) 0.383 11.935 ( -3.083 0.000 0.000) 3.083 12.111 ( 5.086 0.000 0.000) 5.086 12.159 ( 6.273 0.000 0.000) 6.273 12.641 ( -3.012 0.000 0.000) 3.012 12.879 ( -4.609 0.000 0.000) 4.609 12.947 ( 15.893 0.000 0.000) 15.893 15.069 ( 1.748 0.000 0.000) 1.748 15.152 ( -11.137 0.000 0.000) 11.137 15.402 ( -3.042 0.000 0.000) 3.042 22.114 ( 6.062 0.000 0.000) 6.062 22.196 ( 3.312 0.000 0.000) 3.312 22.811 ( -5.914 0.000 0.000) 5.914 22.819 ( -6.475 0.000 0.000) 6.475 22.934 ( 1.220 0.000 0.000) 1.220 23.437 ( -5.229 0.000 0.000) 5.229 23.522 ( 0.698 0.000 0.000) 0.698 23.611 ( -1.159 0.000 0.000) 1.159 24.060 ( 2.842 0.000 0.000) 2.842 24.287 ( 0.108 0.000 0.000) 0.108 24.336 ( 3.331 0.000 0.000) 3.331 25.149 ( -10.174 0.000 0.000) 10.174 25.481 ( 0.177 0.000 0.000) 0.177 25.606 ( -1.735 0.000 0.000) 1.735 25.831 ( 9.038 0.000 0.000) 9.038 26.750 ( -6.029 0.000 0.000) 6.029 29.871 ( 4.291 0.000 0.000) 4.291 29.957 ( 3.500 0.000 0.000) 3.500 30.460 ( -6.110 0.000 0.000) 6.110 30.484 ( -5.406 0.000 0.000) 5.406 30.879 ( 2.761 0.000 0.000) 2.761 30.945 ( 2.803 0.000 0.000) 2.803 31.028 ( 6.942 0.000 0.000) 6.942 31.531 ( -2.437 0.000 0.000) 2.437 88.973 ( -1.406 0.000 0.000) 1.406 88.978 ( 0.063 0.000 0.000) 0.063 88.996 ( -1.736 0.000 0.000) 1.736 89.018 ( -0.539 0.000 0.000) 0.539 89.162 ( 0.173 0.000 0.000) 0.173 89.203 ( -0.498 0.000 0.000) 0.498 89.664 ( 13.328 0.000 0.000) 13.328 93.407 ( -47.224 0.000 0.000) 47.224 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 15.784 0.000 0.000) 15.784 1.506 ( 22.551 0.000 0.000) 22.551 1.539 ( 20.369 0.000 0.000) 20.369 1.740 ( 12.085 0.000 0.000) 12.085 1.806 ( -6.846 0.000 0.000) 6.846 1.907 ( 17.815 0.000 0.000) 17.815 2.516 ( -10.390 0.000 0.000) 10.390 2.580 ( -2.888 0.000 0.000) 2.888 2.722 ( -8.747 0.000 0.000) 8.747 2.790 ( -4.406 0.000 0.000) 4.406 2.827 ( -16.124 0.000 0.000) 16.124 2.866 ( -5.039 0.000 0.000) 5.039 3.718 ( 7.927 0.000 0.000) 7.927 3.719 ( 3.009 0.000 0.000) 3.009 3.959 ( -3.912 0.000 0.000) 3.912 4.198 ( 0.091 0.000 0.000) 0.091 4.429 ( -10.907 0.000 0.000) 10.907 4.472 ( 3.878 0.000 0.000) 3.878 4.520 ( -9.509 0.000 0.000) 9.509 4.756 ( -5.947 0.000 0.000) 5.947 5.176 ( 5.319 0.000 0.000) 5.319 5.370 ( 1.016 0.000 0.000) 1.016 5.517 ( 2.377 0.000 0.000) 2.377 5.703 ( -4.473 0.000 0.000) 4.473 6.005 ( 14.511 0.000 0.000) 14.511 6.125 ( 3.404 0.000 0.000) 3.404 6.338 ( 2.359 0.000 0.000) 2.359 6.557 ( 2.338 0.000 0.000) 2.338 6.738 ( -1.098 0.000 0.000) 1.098 6.802 ( -3.078 0.000 0.000) 3.078 6.820 ( 0.914 0.000 0.000) 0.914 6.894 ( -0.412 0.000 0.000) 0.412 7.019 ( 0.450 0.000 0.000) 0.450 7.116 ( -0.779 0.000 0.000) 0.779 7.147 ( -3.749 0.000 0.000) 3.749 7.210 ( -2.338 0.000 0.000) 2.338 10.890 ( 4.499 0.000 0.000) 4.499 10.922 ( 5.550 0.000 0.000) 5.550 11.077 ( -2.048 0.000 0.000) 2.048 11.220 ( -4.078 0.000 0.000) 4.078 11.633 ( 7.156 0.000 0.000) 7.156 11.656 ( 2.756 0.000 0.000) 2.756 11.781 ( -0.243 0.000 0.000) 0.243 11.867 ( -3.863 0.000 0.000) 3.863 12.223 ( 6.325 0.000 0.000) 6.325 12.299 ( 8.084 0.000 0.000) 8.084 12.569 ( -4.440 0.000 0.000) 4.440 12.770 ( -6.614 0.000 0.000) 6.614 13.344 ( 24.801 0.000 0.000) 24.801 14.858 ( -19.399 0.000 0.000) 19.399 15.113 ( 2.797 0.000 0.000) 2.797 15.333 ( -3.958 0.000 0.000) 3.958 22.247 ( 7.454 0.000 0.000) 7.454 22.277 ( 5.027 0.000 0.000) 5.027 22.679 ( -7.746 0.000 0.000) 7.746 22.684 ( -7.106 0.000 0.000) 7.106 22.974 ( 3.087 0.000 0.000) 3.087 23.319 ( -6.878 0.000 0.000) 6.878 23.535 ( 0.677 0.000 0.000) 0.677 23.587 ( -1.204 0.000 0.000) 1.204 24.124 ( 3.637 0.000 0.000) 3.637 24.281 ( -0.890 0.000 0.000) 0.890 24.425 ( 5.904 0.000 0.000) 5.904 24.944 ( -10.816 0.000 0.000) 10.816 25.488 ( 0.547 0.000 0.000) 0.547 25.569 ( -2.007 0.000 0.000) 2.007 26.020 ( 10.398 0.000 0.000) 10.398 26.609 ( -8.414 0.000 0.000) 8.414 29.969 ( 5.679 0.000 0.000) 5.679 30.039 ( 4.899 0.000 0.000) 4.899 30.339 ( -6.419 0.000 0.000) 6.419 30.374 ( -5.920 0.000 0.000) 5.920 30.934 ( 2.772 0.000 0.000) 2.772 30.988 ( 1.501 0.000 0.000) 1.501 31.161 ( 6.754 0.000 0.000) 6.754 31.473 ( -3.663 0.000 0.000) 3.663 88.947 ( -1.154 0.000 0.000) 1.154 88.963 ( -1.622 0.000 0.000) 1.622 88.981 ( 0.196 0.000 0.000) 0.196 89.006 ( -0.610 0.000 0.000) 0.610 89.166 ( 0.283 0.000 0.000) 0.283 89.193 ( -0.571 0.000 0.000) 0.571 90.025 ( 24.399 0.000 0.000) 24.399 92.422 ( -52.709 0.000 0.000) 52.709 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 14.425 0.000 0.000) 14.425 1.532 ( -11.862 0.000 0.000) 11.862 1.901 ( 17.261 0.000 0.000) 17.261 1.966 ( 10.036 0.000 0.000) 10.036 2.022 ( 19.526 0.000 0.000) 19.526 2.209 ( 9.188 0.000 0.000) 9.188 2.305 ( -9.877 0.000 0.000) 9.877 2.353 ( -14.392 0.000 0.000) 14.392 2.524 ( -11.220 0.000 0.000) 11.220 2.620 ( -11.779 0.000 0.000) 11.779 2.714 ( 2.989 0.000 0.000) 2.989 2.781 ( -3.862 0.000 0.000) 3.862 3.791 ( 4.244 0.000 0.000) 4.244 3.877 ( -4.503 0.000 0.000) 4.503 3.930 ( 12.966 0.000 0.000) 12.966 4.189 ( -13.391 0.000 0.000) 13.391 4.242 ( 4.382 0.000 0.000) 4.382 4.358 ( -7.339 0.000 0.000) 7.339 4.553 ( 4.528 0.000 0.000) 4.528 4.647 ( -5.259 0.000 0.000) 5.259 5.274 ( 4.652 0.000 0.000) 4.652 5.349 ( -2.819 0.000 0.000) 2.819 5.564 ( 2.605 0.000 0.000) 2.605 5.623 ( -3.623 0.000 0.000) 3.623 6.223 ( 5.913 0.000 0.000) 5.913 6.275 ( 12.975 0.000 0.000) 12.975 6.323 ( -3.637 0.000 0.000) 3.637 6.489 ( -8.538 0.000 0.000) 8.538 6.758 ( 2.615 0.000 0.000) 2.615 6.808 ( -2.003 0.000 0.000) 2.003 6.810 ( 3.006 0.000 0.000) 3.006 6.868 ( -2.347 0.000 0.000) 2.347 7.037 ( 1.556 0.000 0.000) 1.556 7.081 ( -2.949 0.000 0.000) 2.949 7.119 ( 1.212 0.000 0.000) 1.212 7.159 ( -2.669 0.000 0.000) 2.669 10.972 ( 3.831 0.000 0.000) 3.831 11.030 ( 5.554 0.000 0.000) 5.554 11.034 ( -2.594 0.000 0.000) 2.594 11.132 ( -4.956 0.000 0.000) 4.956 11.717 ( 3.520 0.000 0.000) 3.520 11.729 ( 3.145 0.000 0.000) 3.145 11.768 ( -1.193 0.000 0.000) 1.193 11.790 ( -3.982 0.000 0.000) 3.982 12.349 ( 6.601 0.000 0.000) 6.601 12.463 ( 8.682 0.000 0.000) 8.682 12.470 ( -5.752 0.000 0.000) 5.752 12.627 ( -8.094 0.000 0.000) 8.094 13.871 ( 28.710 0.000 0.000) 28.710 14.412 ( -26.289 0.000 0.000) 26.289 15.176 ( 3.716 0.000 0.000) 3.716 15.253 ( -4.181 0.000 0.000) 4.181 22.389 ( 6.592 0.000 0.000) 6.592 22.395 ( 7.693 0.000 0.000) 7.693 22.528 ( -7.652 0.000 0.000) 7.652 22.542 ( -7.513 0.000 0.000) 7.513 23.057 ( 5.527 0.000 0.000) 5.527 23.181 ( -7.072 0.000 0.000) 7.072 23.549 ( 0.765 0.000 0.000) 0.765 23.566 ( -1.000 0.000 0.000) 1.000 24.194 ( 3.423 0.000 0.000) 3.423 24.250 ( -2.300 0.000 0.000) 2.300 24.562 ( 8.285 0.000 0.000) 8.285 24.741 ( -10.048 0.000 0.000) 10.048 25.504 ( 1.134 0.000 0.000) 1.134 25.532 ( -1.735 0.000 0.000) 1.735 26.226 ( 10.798 0.000 0.000) 10.798 26.429 ( -10.088 0.000 0.000) 10.088 30.087 ( 6.409 0.000 0.000) 6.409 30.143 ( 5.766 0.000 0.000) 5.766 30.213 ( -6.583 0.000 0.000) 6.583 30.258 ( -6.063 0.000 0.000) 6.063 30.980 ( 1.816 0.000 0.000) 1.816 31.000 ( -0.226 0.000 0.000) 0.226 31.285 ( 5.980 0.000 0.000) 5.980 31.390 ( -4.880 0.000 0.000) 4.880 88.933 ( -0.277 0.000 0.000) 0.277 88.938 ( -0.823 0.000 0.000) 0.823 88.986 ( 0.375 0.000 0.000) 0.375 88.995 ( -0.538 0.000 0.000) 0.538 89.173 ( 0.411 0.000 0.000) 0.411 89.182 ( -0.525 0.000 0.000) 0.525 90.616 ( 36.895 0.000 0.000) 36.895 91.439 ( -47.715 0.000 0.000) 47.715 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 17.748 0.000) 17.748 0.562 ( 0.000 26.496 0.000) 26.496 0.663 ( 0.000 30.989 0.000) 30.989 1.272 ( 0.000 6.036 0.000) 6.036 1.400 ( 0.000 12.558 0.000) 12.558 2.162 ( 0.000 -0.250 0.000) 0.250 2.408 ( 0.000 -5.486 0.000) 5.486 2.594 ( 0.000 3.952 0.000) 3.952 2.793 ( 0.000 -3.761 0.000) 3.761 3.110 ( 0.000 -3.137 0.000) 3.137 3.125 ( 0.000 -8.075 0.000) 8.075 3.295 ( 0.000 -5.466 0.000) 5.466 3.571 ( 0.000 -6.353 0.000) 6.353 3.785 ( 0.000 9.909 0.000) 9.909 4.047 ( 0.000 -2.731 0.000) 2.731 4.359 ( 0.000 1.623 0.000) 1.623 4.390 ( 0.000 0.132 0.000) 0.132 4.879 ( 0.000 -0.014 0.000) 0.014 4.885 ( 0.000 7.054 0.000) 7.054 4.886 ( 0.000 -9.843 0.000) 9.843 5.041 ( 0.000 4.580 0.000) 4.580 5.067 ( 0.000 -6.718 0.000) 6.718 5.284 ( 0.000 5.316 0.000) 5.316 5.469 ( 0.000 2.851 0.000) 2.851 5.915 ( 0.000 -1.568 0.000) 1.568 6.138 ( 0.000 -4.053 0.000) 4.053 6.409 ( 0.000 7.672 0.000) 7.672 6.497 ( 0.000 5.925 0.000) 5.925 6.571 ( 0.000 2.201 0.000) 2.201 6.651 ( 0.000 0.185 0.000) 0.185 6.901 ( 0.000 -5.282 0.000) 5.282 6.974 ( 0.000 -0.617 0.000) 0.617 7.105 ( 0.000 -5.852 0.000) 5.852 7.135 ( 0.000 1.786 0.000) 1.786 7.249 ( 0.000 1.672 0.000) 1.672 7.273 ( 0.000 -1.648 0.000) 1.648 10.750 ( 0.000 2.298 0.000) 2.298 10.768 ( 0.000 1.884 0.000) 1.884 11.136 ( 0.000 -2.292 0.000) 2.292 11.136 ( 0.000 -2.130 0.000) 2.130 11.468 ( 0.000 10.010 0.000) 10.010 11.601 ( 0.000 2.786 0.000) 2.786 11.772 ( 0.000 0.624 0.000) 0.624 12.029 ( 0.000 -1.773 0.000) 1.773 12.034 ( 0.000 2.467 0.000) 2.467 12.063 ( 0.000 5.466 0.000) 5.466 12.647 ( 0.000 -1.815 0.000) 1.815 12.703 ( 0.000 -2.277 0.000) 2.277 13.011 ( 0.000 4.864 0.000) 4.864 15.339 ( 0.000 -0.040 0.000) 0.040 15.400 ( 0.000 -6.203 0.000) 6.203 15.403 ( 0.000 -0.630 0.000) 0.630 22.146 ( 0.000 1.324 0.000) 1.324 22.754 ( 0.000 2.079 0.000) 2.079 22.848 ( 0.000 -5.778 0.000) 5.778 22.945 ( 0.000 0.900 0.000) 0.900 22.984 ( 0.000 2.309 0.000) 2.309 23.150 ( 0.000 0.428 0.000) 0.428 23.457 ( 0.000 -3.659 0.000) 3.659 23.530 ( 0.000 -1.920 0.000) 1.920 23.665 ( 0.000 2.575 0.000) 2.575 24.037 ( 0.000 3.219 0.000) 3.219 24.254 ( 0.000 -2.519 0.000) 2.519 25.344 ( 0.000 -10.553 0.000) 10.553 25.429 ( 0.000 0.252 0.000) 0.252 25.470 ( 0.000 6.309 0.000) 6.309 25.620 ( 0.000 1.236 0.000) 1.236 27.143 ( 0.000 -9.410 0.000) 9.410 29.876 ( 0.000 8.276 0.000) 8.276 30.390 ( 0.000 1.660 0.000) 1.660 30.621 ( 0.000 0.088 0.000) 0.088 30.654 ( 0.000 1.252 0.000) 1.252 30.800 ( 0.000 -1.633 0.000) 1.633 30.810 ( 0.000 -1.454 0.000) 1.454 30.852 ( 0.000 -0.257 0.000) 0.257 31.188 ( 0.000 -3.958 0.000) 3.958 88.886 ( 0.000 -0.400 0.000) 0.400 88.982 ( 0.000 -1.854 0.000) 1.854 88.982 ( 0.000 0.335 0.000) 0.335 89.012 ( 0.000 -1.592 0.000) 1.592 89.247 ( 0.000 8.396 0.000) 8.396 89.460 ( 0.000 1.742 0.000) 1.742 89.626 ( 0.000 -1.952 0.000) 1.952 94.081 ( 0.000 -33.618 0.000) 33.618 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 5.228 13.929 0.000) 14.878 0.512 ( 11.686 13.614 0.000) 17.942 1.062 ( 24.411 26.462 0.000) 36.002 1.285 ( 3.105 2.172 0.000) 3.789 1.524 ( 10.738 13.054 0.000) 16.903 2.112 ( -5.002 0.244 0.000) 5.008 2.432 ( 2.367 -5.450 0.000) 5.942 2.645 ( 2.569 -0.248 0.000) 2.581 2.773 ( 0.029 0.698 0.000) 0.699 3.015 ( -10.339 -10.428 0.000) 14.684 3.040 ( -5.857 -4.401 0.000) 7.326 3.280 ( -2.268 -2.001 0.000) 3.024 3.591 ( 1.071 -5.373 0.000) 5.479 3.783 ( -0.228 9.644 0.000) 9.647 4.034 ( -1.443 -2.701 0.000) 3.062 4.338 ( -3.476 1.145 0.000) 3.660 4.369 ( 1.176 1.192 0.000) 1.675 4.796 ( -6.089 4.470 0.000) 7.554 4.854 ( -4.888 0.627 0.000) 4.928 4.908 ( -1.677 -7.801 0.000) 7.979 5.061 ( 2.334 4.722 0.000) 5.267 5.138 ( 6.396 -4.342 0.000) 7.731 5.394 ( 11.028 -0.011 0.000) 11.028 5.476 ( 0.832 2.864 0.000) 2.982 5.891 ( -2.134 -0.620 0.000) 2.222 6.138 ( -0.723 -2.865 0.000) 2.955 6.288 ( -6.680 8.468 0.000) 10.785 6.399 ( 0.714 5.300 0.000) 5.348 6.701 ( 3.965 0.240 0.000) 3.973 6.724 ( 3.115 -2.668 0.000) 4.101 6.893 ( -0.477 -4.575 0.000) 4.600 6.948 ( -2.686 -0.752 0.000) 2.790 7.094 ( -1.127 -5.907 0.000) 6.013 7.122 ( -0.762 5.504 0.000) 5.556 7.257 ( 0.557 1.538 0.000) 1.636 7.261 ( -1.178 -1.155 0.000) 1.650 10.732 ( 0.692 1.009 0.000) 1.223 10.774 ( 0.947 1.486 0.000) 1.762 11.194 ( 2.336 -0.168 0.000) 2.342 11.202 ( 5.431 -2.829 0.000) 6.124 11.476 ( 1.316 10.560 0.000) 10.642 11.610 ( 0.853 2.634 0.000) 2.769 11.750 ( -1.269 -0.091 0.000) 1.272 11.978 ( -3.413 -1.437 0.000) 3.703 12.076 ( 4.037 2.127 0.000) 4.563 12.087 ( 2.380 4.757 0.000) 5.319 12.711 ( 6.706 -1.830 0.000) 6.951 12.738 ( 1.172 0.725 0.000) 1.378 12.995 ( -1.531 5.502 0.000) 5.711 15.147 ( -11.417 3.710 0.000) 12.004 15.340 ( -4.910 2.266 0.000) 5.408 15.384 ( -1.671 -6.226 0.000) 6.446 22.149 ( 0.088 2.093 0.000) 2.095 22.323 ( -9.743 16.708 0.000) 19.341 22.878 ( 0.458 -3.903 0.000) 3.930 22.916 ( -2.896 1.277 0.000) 3.165 22.944 ( -4.020 2.182 0.000) 4.574 23.448 ( -1.274 -3.837 0.000) 4.043 23.521 ( -0.606 -1.440 0.000) 1.562 23.574 ( 3.988 -8.209 0.000) 9.126 23.870 ( 20.135 -15.301 0.000) 25.289 24.047 ( 1.054 2.869 0.000) 3.057 24.275 ( 2.076 -2.608 0.000) 3.333 25.247 ( -7.498 -7.724 0.000) 10.764 25.468 ( 1.754 -0.506 0.000) 1.825 25.535 ( 4.415 1.408 0.000) 4.634 25.671 ( 5.214 -0.482 0.000) 5.236 26.973 ( -12.075 -0.889 0.000) 12.108 29.893 ( 1.819 8.075 0.000) 8.278 30.157 ( -9.880 13.150 0.000) 16.449 30.579 ( -4.099 0.735 0.000) 4.164 30.594 ( -4.464 1.344 0.000) 4.661 30.816 ( 1.639 -1.691 0.000) 2.355 30.872 ( 3.739 -1.353 0.000) 3.976 30.892 ( 4.624 -0.832 0.000) 4.698 31.370 ( 7.514 -11.963 0.000) 14.127 88.904 ( 1.077 -3.040 0.000) 3.225 88.972 ( -1.014 -1.866 0.000) 2.124 88.981 ( -0.095 0.228 0.000) 0.247 89.010 ( -0.202 -1.505 0.000) 1.519 89.250 ( 0.214 8.452 0.000) 8.454 89.423 ( -6.137 5.348 0.000) 8.141 89.552 ( 2.082 4.526 0.000) 4.982 93.822 ( -25.941 -31.219 0.000) 40.590 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 20.652 -8.457 0.000) 22.317 0.770 ( 14.201 9.246 0.000) 16.945 1.405 ( 8.874 -4.089 0.000) 9.771 1.533 ( 23.916 23.358 0.000) 33.430 1.773 ( 14.581 12.664 0.000) 19.313 1.985 ( -7.816 1.255 0.000) 7.916 2.492 ( 3.579 -5.126 0.000) 6.251 2.583 ( -7.763 -8.001 0.000) 11.148 2.759 ( -15.507 -13.334 0.000) 20.452 2.846 ( 4.064 5.744 0.000) 7.036 2.927 ( -4.616 -4.525 0.000) 6.464 3.195 ( -6.651 3.811 0.000) 7.666 3.615 ( 2.275 -2.032 0.000) 3.051 3.779 ( 0.046 8.528 0.000) 8.528 3.994 ( -2.461 -2.348 0.000) 3.402 4.280 ( -2.509 3.187 0.000) 4.056 4.403 ( 1.997 0.020 0.000) 1.998 4.658 ( -8.179 4.691 0.000) 9.429 4.717 ( -8.413 0.372 0.000) 8.421 4.833 ( -5.035 -4.225 0.000) 6.573 5.120 ( 3.880 3.945 0.000) 5.533 5.276 ( 7.019 -2.104 0.000) 7.327 5.497 ( 1.145 1.995 0.000) 2.300 5.654 ( 14.355 -2.532 0.000) 14.577 5.832 ( -3.595 0.603 0.000) 3.645 6.108 ( -1.418 -0.382 0.000) 1.468 6.253 ( 1.693 0.861 0.000) 1.900 6.462 ( 4.982 0.949 0.000) 5.071 6.710 ( -2.965 -3.511 0.000) 4.595 6.765 ( 1.972 -1.362 0.000) 2.396 6.876 ( -4.393 -0.957 0.000) 4.496 6.892 ( 0.142 -3.504 0.000) 3.507 7.067 ( -1.448 -5.426 0.000) 5.615 7.112 ( -0.306 7.628 0.000) 7.634 7.231 ( -1.853 0.164 0.000) 1.860 7.258 ( -0.712 1.447 0.000) 1.613 10.790 ( 4.827 -0.607 0.000) 4.865 10.815 ( 3.396 0.980 0.000) 3.535 11.196 ( -1.574 4.228 0.000) 4.512 11.271 ( 0.512 -1.547 0.000) 1.630 11.550 ( 6.260 7.679 0.000) 9.907 11.633 ( 1.526 2.405 0.000) 2.849 11.737 ( -0.223 -2.509 0.000) 2.519 11.918 ( -2.912 -1.651 0.000) 3.347 12.153 ( 4.453 3.516 0.000) 5.674 12.181 ( 6.629 2.282 0.000) 7.011 12.721 ( -2.707 4.952 0.000) 5.643 12.862 ( 3.140 -2.063 0.000) 3.757 13.006 ( 8.657 6.773 0.000) 10.992 15.007 ( -4.987 -3.152 0.000) 5.900 15.200 ( -9.060 1.705 0.000) 9.219 15.337 ( -3.107 -6.291 0.000) 7.016 22.170 ( 2.803 3.035 0.000) 4.132 22.295 ( 3.067 10.154 0.000) 10.607 22.836 ( -6.862 1.966 0.000) 7.138 22.838 ( -4.954 2.252 0.000) 5.442 22.893 ( 1.291 -3.772 0.000) 3.987 23.392 ( -4.501 -3.538 0.000) 5.725 23.520 ( 0.437 -1.024 0.000) 1.113 23.587 ( -0.501 -2.697 0.000) 2.743 24.078 ( 2.103 1.870 0.000) 2.815 24.112 ( 6.817 -11.696 0.000) 13.538 24.328 ( 3.326 -2.373 0.000) 4.085 25.081 ( -9.483 -6.337 0.000) 11.406 25.488 ( 0.644 0.661 0.000) 0.922 25.587 ( 0.896 0.840 0.000) 1.228 25.807 ( 8.500 -2.113 0.000) 8.759 26.765 ( -9.594 -1.169 0.000) 9.665 29.947 ( 3.765 7.284 0.000) 8.199 30.078 ( 0.011 9.445 0.000) 9.445 30.482 ( -5.427 2.093 0.000) 5.817 30.503 ( -4.979 1.773 0.000) 5.286 30.859 ( 2.639 -1.898 0.000) 3.250 30.929 ( 2.578 -1.449 0.000) 2.957 31.009 ( 6.571 -1.800 0.000) 6.813 31.432 ( 0.270 -8.423 0.000) 8.427 88.911 ( -0.326 -4.054 0.000) 4.067 88.946 ( -1.576 -1.925 0.000) 2.488 88.981 ( 0.136 -0.073 0.000) 0.154 89.005 ( -0.317 -1.268 0.000) 1.307 89.255 ( 0.351 8.567 0.000) 8.574 89.329 ( -3.002 7.523 0.000) 8.100 89.696 ( 12.044 2.346 0.000) 12.271 93.137 ( -43.076 -25.041 0.000) 49.826 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 14.059 6.042 0.000) 15.303 1.132 ( 21.068 -15.330 0.000) 26.055 1.606 ( 11.353 -8.318 0.000) 14.074 1.817 ( -9.083 1.547 0.000) 9.214 1.974 ( 21.358 21.058 0.000) 29.993 2.071 ( 15.637 10.771 0.000) 18.987 2.388 ( -11.772 -10.606 0.000) 15.845 2.427 ( -16.917 -13.444 0.000) 21.609 2.573 ( 3.326 -5.465 0.000) 6.398 2.811 ( -4.363 -1.583 0.000) 4.641 2.892 ( -3.506 4.896 0.000) 6.022 3.022 ( -11.031 9.417 0.000) 14.504 3.718 ( 8.853 0.224 0.000) 8.856 3.796 ( 1.880 6.649 0.000) 6.909 3.949 ( -2.082 -0.829 0.000) 2.241 4.246 ( -0.710 3.947 0.000) 4.011 4.407 ( -4.403 -2.955 0.000) 5.303 4.481 ( -8.753 3.811 0.000) 9.547 4.583 ( -3.696 3.858 0.000) 5.343 4.734 ( -4.890 -2.208 0.000) 5.365 5.207 ( 4.903 3.041 0.000) 5.769 5.376 ( 2.572 0.544 0.000) 2.629 5.520 ( 1.541 0.361 0.000) 1.583 5.723 ( -4.671 2.035 0.000) 5.095 5.963 ( 14.597 -3.873 0.000) 15.102 6.117 ( 2.695 -0.655 0.000) 2.774 6.301 ( 2.076 -3.154 0.000) 3.776 6.543 ( 1.683 -1.185 0.000) 2.058 6.654 ( -2.054 -4.417 0.000) 4.871 6.758 ( -2.206 -3.673 0.000) 4.284 6.801 ( -2.755 -2.656 0.000) 3.827 6.885 ( -1.035 -3.275 0.000) 3.434 7.053 ( 0.368 -2.852 0.000) 2.875 7.109 ( -0.114 7.098 0.000) 7.099 7.195 ( -1.780 1.864 0.000) 2.578 7.228 ( -2.287 1.515 0.000) 2.743 10.898 ( 4.880 1.074 0.000) 4.997 10.902 ( 6.466 -0.206 0.000) 6.469 11.150 ( -2.973 4.884 0.000) 5.718 11.236 ( -3.451 1.081 0.000) 3.617 11.657 ( 2.647 0.307 0.000) 2.665 11.681 ( 4.602 4.108 0.000) 6.169 11.733 ( -0.348 -3.335 0.000) 3.353 11.863 ( -2.779 -0.755 0.000) 2.880 12.259 ( 6.480 3.319 0.000) 7.280 12.327 ( 8.365 2.721 0.000) 8.796 12.644 ( -5.070 5.863 0.000) 7.751 12.801 ( -5.987 2.651 0.000) 6.548 13.358 ( 23.830 1.956 0.000) 23.911 14.814 ( -17.219 -3.637 0.000) 17.599 15.088 ( -0.819 -2.538 0.000) 2.667 15.267 ( -4.006 -6.360 0.000) 7.516 22.254 ( 5.597 1.792 0.000) 5.877 22.384 ( 5.574 8.610 0.000) 10.257 22.688 ( -8.187 1.643 0.000) 8.350 22.732 ( -5.879 3.782 0.000) 6.991 22.935 ( 3.243 -3.566 0.000) 4.820 23.283 ( -6.584 -3.055 0.000) 7.258 23.531 ( 0.661 -0.825 0.000) 1.058 23.573 ( -0.815 -1.576 0.000) 1.774 24.126 ( 2.707 0.386 0.000) 2.735 24.193 ( 2.191 -6.867 0.000) 7.208 24.408 ( 5.147 -2.237 0.000) 5.612 24.889 ( -10.139 -5.103 0.000) 11.351 25.501 ( 0.811 1.295 0.000) 1.528 25.581 ( -1.183 1.874 0.000) 2.217 25.989 ( 10.137 -2.793 0.000) 10.514 26.584 ( -9.453 -2.878 0.000) 9.881 30.035 ( 5.223 6.282 0.000) 8.170 30.117 ( 3.429 6.757 0.000) 7.577 30.374 ( -5.755 3.312 0.000) 6.640 30.403 ( -5.377 2.647 0.000) 5.993 30.912 ( 2.699 -2.082 0.000) 3.409 30.968 ( 1.338 -1.814 0.000) 2.255 31.135 ( 6.338 -2.513 0.000) 6.818 31.408 ( -2.478 -5.928 0.000) 6.425 88.899 ( -0.763 -3.535 0.000) 3.616 88.916 ( -1.452 -2.086 0.000) 2.541 88.985 ( 0.223 -0.270 0.000) 0.351 88.998 ( -0.316 -0.937 0.000) 0.988 89.263 ( 0.391 8.603 0.000) 8.612 89.293 ( -1.087 7.574 0.000) 7.652 90.026 ( 22.518 -0.136 0.000) 22.518 92.236 ( -48.325 -17.301 0.000) 51.328 ======================= Grid point 13 (10/75) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 12.419 2.902 0.000) 12.754 1.450 ( 4.606 -9.544 0.000) 10.598 1.697 ( 3.365 -4.830 0.000) 5.887 1.808 ( 6.387 -11.300 0.000) 12.981 2.083 ( -11.979 -14.417 0.000) 18.744 2.150 ( -11.693 -10.811 0.000) 15.925 2.348 ( 15.718 16.800 0.000) 23.006 2.385 ( 12.196 10.887 0.000) 16.349 2.634 ( 1.929 -1.806 0.000) 2.643 2.711 ( -7.315 3.258 0.000) 8.008 2.771 ( -5.753 2.448 0.000) 6.252 2.794 ( -10.431 11.046 0.000) 15.192 3.846 ( 2.984 4.587 0.000) 5.472 3.894 ( -0.100 0.944 0.000) 0.949 3.953 ( 10.820 2.333 0.000) 11.069 4.205 ( -13.079 1.052 0.000) 13.122 4.264 ( 2.804 2.158 0.000) 3.538 4.352 ( -5.920 0.401 0.000) 5.933 4.586 ( 2.468 2.718 0.000) 3.672 4.649 ( -3.879 0.070 0.000) 3.880 5.300 ( 4.471 2.530 0.000) 5.137 5.371 ( -2.502 2.097 0.000) 3.265 5.566 ( 3.054 0.259 0.000) 3.065 5.635 ( -4.151 1.269 0.000) 4.341 6.198 ( 4.785 -2.365 0.000) 5.337 6.219 ( 8.994 -4.489 0.000) 10.052 6.313 ( 1.407 -1.965 0.000) 2.417 6.470 ( -8.497 -1.967 0.000) 8.722 6.654 ( 2.093 -6.324 0.000) 6.661 6.714 ( -3.299 -6.489 0.000) 7.279 6.793 ( 2.485 -2.932 0.000) 3.844 6.849 ( -2.640 -3.073 0.000) 4.051 7.079 ( 1.869 0.282 0.000) 1.890 7.105 ( -0.535 4.420 0.000) 4.452 7.168 ( -0.703 3.204 0.000) 3.281 7.181 ( -2.047 2.203 0.000) 3.007 10.993 ( 4.714 1.991 0.000) 5.117 11.026 ( 5.470 1.024 0.000) 5.565 11.087 ( -2.920 3.397 0.000) 4.480 11.150 ( -5.241 1.555 0.000) 5.466 11.694 ( 1.649 -1.119 0.000) 1.993 11.720 ( -1.041 -2.729 0.000) 2.920 11.758 ( 3.113 1.638 0.000) 3.518 11.811 ( -2.622 0.489 0.000) 2.667 12.394 ( 7.234 4.113 0.000) 8.322 12.494 ( 7.918 3.219 0.000) 8.547 12.532 ( -5.583 5.130 0.000) 7.582 12.663 ( -8.064 3.342 0.000) 8.729 13.867 ( 27.774 -0.141 0.000) 27.774 14.390 ( -25.477 -1.829 0.000) 25.543 15.118 ( 2.993 -5.524 0.000) 6.283 15.188 ( -4.063 -6.265 0.000) 7.467 22.379 ( 7.208 1.339 0.000) 7.331 22.498 ( 6.101 7.294 0.000) 9.509 22.529 ( -8.160 1.410 0.000) 8.281 22.616 ( -6.087 5.539 0.000) 8.230 23.022 ( 5.703 -3.193 0.000) 6.537 23.148 ( -7.070 -2.923 0.000) 7.650 23.544 ( 0.666 -0.778 0.000) 1.024 23.557 ( -0.758 -1.013 0.000) 1.265 24.176 ( 2.290 -1.435 0.000) 2.703 24.206 ( -0.650 -3.700 0.000) 3.757 24.532 ( 7.650 -3.009 0.000) 8.220 24.698 ( -9.437 -3.990 0.000) 10.246 25.522 ( 1.330 1.804 0.000) 2.242 25.552 ( -1.664 2.118 0.000) 2.694 26.192 ( 10.646 -3.219 0.000) 11.122 26.395 ( -10.233 -3.383 0.000) 10.777 30.144 ( 5.937 5.351 0.000) 7.992 30.199 ( 4.841 5.085 0.000) 7.021 30.260 ( -6.017 4.408 0.000) 7.459 30.298 ( -5.366 3.745 0.000) 6.544 30.957 ( 1.822 -2.137 0.000) 2.808 30.979 ( -0.309 -2.046 0.000) 2.069 31.249 ( 5.459 -3.353 0.000) 6.406 31.343 ( -4.163 -4.421 0.000) 6.073 88.889 ( -0.184 -2.915 0.000) 2.921 88.894 ( -0.736 -2.411 0.000) 2.520 88.989 ( 0.189 -0.366 0.000) 0.412 88.993 ( -0.242 -0.600 0.000) 0.647 89.270 ( 0.394 8.422 0.000) 8.431 89.278 ( -0.515 8.004 0.000) 8.020 90.573 ( 34.113 -4.165 0.000) 34.366 91.333 ( -43.967 -9.979 0.000) 45.085 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 17.391 0.000) 17.391 1.093 ( 0.000 24.194 0.000) 24.194 1.268 ( 0.000 26.413 0.000) 26.413 1.463 ( 0.000 12.121 0.000) 12.121 1.701 ( 0.000 13.966 0.000) 13.966 2.158 ( 0.000 -0.010 0.000) 0.010 2.252 ( 0.000 -8.471 0.000) 8.471 2.609 ( 0.000 -4.832 0.000) 4.832 2.747 ( 0.000 -0.127 0.000) 0.127 2.904 ( 0.000 -12.312 0.000) 12.312 3.066 ( 0.000 1.262 0.000) 1.262 3.157 ( 0.000 -7.990 0.000) 7.990 3.386 ( 0.000 -11.099 0.000) 11.099 3.947 ( 0.000 -7.185 0.000) 7.185 4.013 ( 0.000 11.320 0.000) 11.320 4.401 ( 0.000 1.015 0.000) 1.015 4.426 ( 0.000 4.872 0.000) 4.872 4.689 ( 0.000 -8.363 0.000) 8.363 4.864 ( 0.000 -1.992 0.000) 1.992 4.896 ( 0.000 -9.087 0.000) 9.087 5.078 ( 0.000 10.854 0.000) 10.854 5.152 ( 0.000 5.470 0.000) 5.470 5.362 ( 0.000 2.018 0.000) 2.018 5.521 ( 0.000 1.802 0.000) 1.802 5.924 ( 0.000 3.033 0.000) 3.033 6.097 ( 0.000 0.394 0.000) 0.394 6.566 ( 0.000 7.132 0.000) 7.132 6.620 ( 0.000 1.411 0.000) 1.411 6.621 ( 0.000 5.260 0.000) 5.260 6.646 ( 0.000 -1.194 0.000) 1.194 6.756 ( 0.000 -7.626 0.000) 7.626 6.949 ( 0.000 -8.425 0.000) 8.425 6.960 ( 0.000 -0.563 0.000) 0.563 7.190 ( 0.000 3.387 0.000) 3.387 7.215 ( 0.000 -3.856 0.000) 3.856 7.289 ( 0.000 1.909 0.000) 1.909 10.810 ( 0.000 3.256 0.000) 3.256 10.829 ( 0.000 3.682 0.000) 3.682 11.072 ( 0.000 -3.469 0.000) 3.469 11.088 ( 0.000 -2.519 0.000) 2.519 11.680 ( 0.000 4.631 0.000) 4.631 11.709 ( 0.000 11.714 0.000) 11.714 11.788 ( 0.000 0.983 0.000) 0.983 11.978 ( 0.000 -2.970 0.000) 2.970 12.111 ( 0.000 4.852 0.000) 4.852 12.175 ( 0.000 3.976 0.000) 3.976 12.589 ( 0.000 -3.757 0.000) 3.757 12.632 ( 0.000 -4.485 0.000) 4.485 13.228 ( 0.000 17.057 0.000) 17.057 15.196 ( 0.000 -13.684 0.000) 13.684 15.338 ( 0.000 0.027 0.000) 0.027 15.386 ( 0.000 -0.965 0.000) 0.965 22.191 ( 0.000 3.007 0.000) 3.007 22.704 ( 0.000 -7.665 0.000) 7.665 22.815 ( 0.000 3.632 0.000) 3.632 22.980 ( 0.000 2.534 0.000) 2.534 23.047 ( 0.000 3.724 0.000) 3.724 23.138 ( 0.000 -1.655 0.000) 1.655 23.368 ( 0.000 -4.692 0.000) 4.692 23.459 ( 0.000 -4.667 0.000) 4.667 23.740 ( 0.000 4.483 0.000) 4.483 24.134 ( 0.000 6.022 0.000) 6.022 24.182 ( 0.000 -4.321 0.000) 4.321 25.080 ( 0.000 -14.179 0.000) 14.179 25.441 ( 0.000 0.992 0.000) 0.992 25.619 ( 0.000 -1.138 0.000) 1.138 25.654 ( 0.000 11.101 0.000) 11.101 26.886 ( 0.000 -14.506 0.000) 14.506 30.098 ( 0.000 12.275 0.000) 12.275 30.441 ( 0.000 3.196 0.000) 3.196 30.629 ( 0.000 0.709 0.000) 0.709 30.686 ( 0.000 1.802 0.000) 1.802 30.750 ( 0.000 -3.093 0.000) 3.093 30.772 ( 0.000 -2.052 0.000) 2.052 30.839 ( 0.000 -1.040 0.000) 1.040 31.068 ( 0.000 -7.394 0.000) 7.394 88.882 ( 0.000 0.114 0.000) 0.114 88.941 ( 0.000 -1.966 0.000) 1.966 88.969 ( 0.000 -2.353 0.000) 2.353 88.984 ( 0.000 -0.319 0.000) 0.319 89.502 ( 0.000 2.013 0.000) 2.013 89.522 ( 0.000 18.568 0.000) 18.568 89.582 ( 0.000 -1.934 0.000) 1.934 93.142 ( 0.000 -53.706 0.000) 53.706 ======================= Grid point 19 (12/75) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 8.029 15.985 0.000) 17.888 0.856 ( -11.402 23.074 0.000) 25.738 1.407 ( -3.438 9.314 0.000) 9.929 1.588 ( 20.496 22.839 0.000) 30.688 1.817 ( 9.700 12.839 0.000) 16.091 2.118 ( -3.946 0.357 0.000) 3.962 2.279 ( 2.674 -8.099 0.000) 8.529 2.554 ( -5.904 -7.083 0.000) 9.221 2.764 ( -12.240 -12.565 0.000) 17.541 2.795 ( 4.107 -1.700 0.000) 4.445 2.988 ( -5.030 2.459 0.000) 5.599 3.201 ( 2.580 -5.922 0.000) 6.459 3.458 ( 5.516 -7.316 0.000) 9.162 3.944 ( -0.293 -6.167 0.000) 6.174 4.008 ( -0.725 11.147 0.000) 11.170 4.375 ( -1.869 2.097 0.000) 2.809 4.419 ( -0.448 3.552 0.000) 3.580 4.715 ( 1.085 -9.149 0.000) 9.213 4.821 ( -4.209 -2.154 0.000) 4.728 4.872 ( -3.167 -1.972 0.000) 3.730 5.121 ( 4.945 5.572 0.000) 7.450 5.173 ( 2.110 5.574 0.000) 5.960 5.415 ( 5.977 0.711 0.000) 6.020 5.527 ( 0.489 1.641 0.000) 1.713 5.912 ( -1.160 3.193 0.000) 3.397 6.108 ( 0.741 0.383 0.000) 0.834 6.432 ( -9.587 5.157 0.000) 10.886 6.510 ( -2.975 4.912 0.000) 5.743 6.694 ( 2.362 -1.543 0.000) 2.821 6.708 ( -0.585 -0.467 0.000) 0.749 6.761 ( 1.625 -6.684 0.000) 6.879 6.914 ( -3.560 -4.921 0.000) 6.073 6.961 ( 0.337 -3.321 0.000) 3.338 7.214 ( -0.095 -3.282 0.000) 3.283 7.219 ( 2.253 4.126 0.000) 4.701 7.294 ( 0.356 1.815 0.000) 1.850 10.790 ( -0.332 3.905 0.000) 3.919 10.828 ( 0.459 3.626 0.000) 3.655 11.143 ( 4.716 -2.940 0.000) 5.557 11.147 ( 5.533 -3.536 0.000) 6.566 11.672 ( -0.602 4.948 0.000) 4.985 11.725 ( 1.466 10.347 0.000) 10.451 11.767 ( -2.157 1.294 0.000) 2.515 11.933 ( -3.580 -2.662 0.000) 4.462 12.148 ( 3.837 4.697 0.000) 6.065 12.184 ( 1.210 3.702 0.000) 3.895 12.652 ( 6.117 -3.930 0.000) 7.270 12.696 ( 4.996 -4.170 0.000) 6.508 13.227 ( 0.141 17.626 0.000) 17.627 15.179 ( -1.658 -13.628 0.000) 13.729 15.191 ( -11.616 1.457 0.000) 11.707 15.351 ( -5.103 -0.962 0.000) 5.192 22.202 ( 1.190 3.324 0.000) 3.531 22.589 ( -6.566 7.237 0.000) 9.772 22.783 ( -0.382 -3.127 0.000) 3.150 22.959 ( -2.163 2.844 0.000) 3.573 23.006 ( -4.113 3.670 0.000) 5.512 23.344 ( 11.530 -9.986 0.000) 15.253 23.361 ( -1.148 -4.427 0.000) 4.573 23.455 ( -0.070 -4.581 0.000) 4.581 23.795 ( 5.867 2.063 0.000) 6.219 24.136 ( 0.222 5.636 0.000) 5.640 24.200 ( 1.827 -4.476 0.000) 4.835 25.026 ( -5.087 -12.716 0.000) 13.696 25.470 ( 2.306 0.693 0.000) 2.408 25.648 ( 3.233 -1.745 0.000) 3.674 25.668 ( 1.118 9.866 0.000) 9.929 26.813 ( -6.797 -12.068 0.000) 13.850 30.112 ( 1.444 12.196 0.000) 12.281 30.358 ( -5.865 7.282 0.000) 9.350 30.603 ( -2.503 1.579 0.000) 2.960 30.630 ( -3.876 2.067 0.000) 4.393 30.764 ( 1.376 -3.287 0.000) 3.564 30.834 ( 3.983 -2.139 0.000) 4.521 30.865 ( 2.899 -1.721 0.000) 3.372 31.144 ( 5.504 -10.290 0.000) 11.670 88.875 ( -0.599 -0.264 0.000) 0.654 88.932 ( -0.881 -1.825 0.000) 2.027 88.969 ( -0.013 -2.272 0.000) 2.272 88.980 ( -0.386 -0.488 0.000) 0.623 89.491 ( -1.466 2.491 0.000) 2.890 89.521 ( -0.063 18.173 0.000) 18.173 89.601 ( 3.418 0.669 0.000) 3.483 92.948 ( -19.460 -50.106 0.000) 53.753 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 2.642 11.407 0.000) 11.709 1.018 ( 10.958 13.821 0.000) 17.638 1.380 ( 1.072 2.013 0.000) 2.281 1.922 ( 5.104 4.866 0.000) 7.052 2.025 ( 10.717 7.824 0.000) 13.269 2.069 ( 7.654 13.665 0.000) 15.662 2.348 ( 3.868 -7.796 0.000) 8.702 2.389 ( -10.480 -8.298 0.000) 13.367 2.493 ( -14.011 -9.199 0.000) 16.760 2.812 ( -3.029 -5.793 0.000) 6.537 2.983 ( 3.944 6.527 0.000) 7.626 3.221 ( -0.757 -1.611 0.000) 1.780 3.570 ( 6.464 -2.268 0.000) 6.850 3.934 ( -0.630 -3.534 0.000) 3.590 3.983 ( -1.694 10.167 0.000) 10.307 4.348 ( -0.890 3.169 0.000) 3.291 4.410 ( -1.068 0.533 0.000) 1.194 4.702 ( -2.032 -7.537 0.000) 7.806 4.722 ( -5.388 0.005 0.000) 5.388 4.767 ( -7.215 4.573 0.000) 8.542 5.227 ( 3.404 5.869 0.000) 6.785 5.255 ( 7.968 1.090 0.000) 8.042 5.533 ( 0.044 1.158 0.000) 1.159 5.596 ( 12.203 -3.003 0.000) 12.567 5.874 ( -3.136 3.528 0.000) 4.721 6.110 ( -0.484 0.978 0.000) 1.091 6.286 ( -5.093 1.873 0.000) 5.426 6.492 ( 1.105 1.897 0.000) 2.195 6.655 ( -3.716 -2.523 0.000) 4.491 6.702 ( -1.538 -5.123 0.000) 5.349 6.788 ( 0.659 -5.428 0.000) 5.468 6.819 ( -5.932 -5.304 0.000) 7.958 6.982 ( 1.850 -1.079 0.000) 2.141 7.211 ( -0.223 -2.043 0.000) 2.055 7.248 ( 0.310 4.927 0.000) 4.936 7.293 ( -0.569 1.845 0.000) 1.931 10.828 ( 4.247 3.935 0.000) 5.789 10.862 ( 3.106 3.498 0.000) 4.678 11.227 ( 3.128 -2.659 0.000) 4.105 11.227 ( 2.165 -1.214 0.000) 2.482 11.664 ( -0.028 3.480 0.000) 3.480 11.717 ( -2.541 0.555 0.000) 2.601 11.755 ( 1.372 7.620 0.000) 7.743 11.872 ( -2.483 -2.542 0.000) 3.554 12.236 ( 4.439 4.354 0.000) 6.218 12.255 ( 7.017 4.823 0.000) 8.515 12.768 ( 1.670 -0.850 0.000) 1.874 12.792 ( 6.749 -4.563 0.000) 8.147 13.261 ( 4.898 17.916 0.000) 18.573 14.969 ( -10.724 -0.473 0.000) 10.734 15.133 ( -3.067 -13.457 0.000) 13.803 15.194 ( -10.529 -2.072 0.000) 10.731 22.240 ( 2.915 4.016 0.000) 4.963 22.544 ( 1.410 11.840 0.000) 11.924 22.790 ( 1.109 -5.353 0.000) 5.467 22.889 ( -6.174 3.188 0.000) 6.948 22.910 ( -4.306 4.267 0.000) 6.062 23.311 ( -4.053 -4.002 0.000) 5.696 23.464 ( 0.929 -4.234 0.000) 4.335 23.476 ( 3.172 -8.001 0.000) 8.606 23.938 ( 7.594 -3.672 0.000) 8.435 24.143 ( 0.438 4.419 0.000) 4.441 24.250 ( 3.348 -4.800 0.000) 5.853 24.901 ( -7.584 -10.489 0.000) 12.944 25.510 ( 1.728 1.420 0.000) 2.236 25.683 ( 0.112 7.898 0.000) 7.899 25.750 ( 7.126 -3.231 0.000) 7.824 26.655 ( -8.995 -8.948 0.000) 12.687 30.152 ( 2.667 11.633 0.000) 11.935 30.283 ( -1.549 9.542 0.000) 9.666 30.542 ( -3.580 3.501 0.000) 5.008 30.556 ( -3.873 3.162 0.000) 5.000 30.800 ( 2.283 -3.721 0.000) 4.366 30.887 ( 1.955 -2.575 0.000) 3.233 30.955 ( 5.462 -3.299 0.000) 6.381 31.224 ( 2.485 -10.983 0.000) 11.260 88.862 ( -0.704 -0.849 0.000) 1.103 88.909 ( -1.403 -1.465 0.000) 2.028 88.969 ( -0.004 -2.065 0.000) 2.065 88.973 ( -0.287 -0.844 0.000) 0.892 89.465 ( -0.783 5.710 0.000) 5.763 89.519 ( -0.220 17.053 0.000) 17.054 89.732 ( 10.192 0.715 0.000) 10.217 92.431 ( -32.661 -40.729 0.000) 52.207 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 13.420 -2.812 0.000) 13.711 1.223 ( 9.843 10.672 0.000) 14.518 1.454 ( 6.269 -5.604 0.000) 8.409 1.818 ( -8.476 -3.893 0.000) 9.327 2.054 ( -12.357 -13.580 0.000) 18.360 2.164 ( -11.691 -7.265 0.000) 13.765 2.359 ( 7.076 0.765 0.000) 7.118 2.382 ( 16.253 16.538 0.000) 23.188 2.475 ( 7.230 3.653 0.000) 8.100 2.742 ( -3.423 -3.533 0.000) 4.919 3.021 ( -1.516 6.094 0.000) 6.279 3.163 ( -5.422 3.697 0.000) 6.562 3.731 ( 10.261 0.929 0.000) 10.303 3.931 ( 0.726 -0.838 0.000) 1.108 3.956 ( -0.821 7.854 0.000) 7.897 4.333 ( -0.704 3.999 0.000) 4.061 4.348 ( -5.657 -2.665 0.000) 6.253 4.590 ( -9.279 5.802 0.000) 10.944 4.661 ( -1.762 -4.697 0.000) 5.017 4.662 ( -2.072 3.689 0.000) 4.231 5.302 ( 4.246 5.911 0.000) 7.278 5.396 ( 5.690 1.543 0.000) 5.896 5.532 ( 0.220 0.640 0.000) 0.677 5.788 ( -5.468 3.780 0.000) 6.648 5.856 ( 14.015 -5.727 0.000) 15.140 6.107 ( 0.592 -0.065 0.000) 0.596 6.231 ( -1.222 -3.335 0.000) 3.552 6.514 ( -0.989 -1.563 0.000) 1.850 6.587 ( -2.901 -2.264 0.000) 3.680 6.646 ( -3.707 -7.294 0.000) 8.182 6.710 ( -3.853 -5.096 0.000) 6.389 6.786 ( -0.801 -5.509 0.000) 5.567 7.029 ( 2.961 0.464 0.000) 2.997 7.209 ( 0.091 -0.533 0.000) 0.540 7.227 ( -2.315 3.535 0.000) 4.225 7.273 ( -1.457 2.806 0.000) 3.162 10.939 ( 6.715 3.560 0.000) 7.600 10.944 ( 5.181 3.382 0.000) 6.188 11.226 ( -2.098 1.847 0.000) 2.795 11.246 ( -1.226 -0.426 0.000) 1.298 11.671 ( 0.605 1.261 0.000) 1.399 11.683 ( -0.859 -1.006 0.000) 1.323 11.772 ( 0.484 3.597 0.000) 3.630 11.833 ( -1.739 -2.058 0.000) 2.694 12.354 ( 7.497 5.824 0.000) 9.493 12.411 ( 8.929 5.257 0.000) 10.362 12.752 ( -3.234 3.472 0.000) 4.745 12.843 ( -1.855 0.181 0.000) 1.864 13.477 ( 17.565 10.859 0.000) 20.650 14.737 ( -15.521 -3.049 0.000) 15.817 15.005 ( -6.704 -5.306 0.000) 8.550 15.065 ( -3.803 -13.092 0.000) 13.633 22.319 ( 5.210 4.245 0.000) 6.720 22.606 ( 4.134 12.118 0.000) 12.804 22.744 ( -8.140 3.575 0.000) 8.890 22.832 ( -4.046 5.456 0.000) 6.793 22.834 ( 3.695 -5.914 0.000) 6.974 23.210 ( -6.279 -3.556 0.000) 7.216 23.484 ( 1.018 -3.848 0.000) 3.980 23.507 ( 0.580 -5.241 0.000) 5.273 24.060 ( 4.930 -4.594 0.000) 6.739 24.152 ( 0.387 2.363 0.000) 2.395 24.328 ( 4.826 -5.072 0.000) 7.001 24.744 ( -8.462 -8.504 0.000) 11.997 25.543 ( 1.819 2.659 0.000) 3.222 25.668 ( -1.534 6.518 0.000) 6.696 25.911 ( 9.235 -4.536 0.000) 10.289 26.476 ( -9.467 -7.461 0.000) 12.054 30.214 ( 3.723 10.211 0.000) 10.869 30.290 ( 1.872 9.382 0.000) 9.567 30.468 ( -4.166 5.270 0.000) 6.718 30.481 ( -3.823 4.836 0.000) 6.164 30.848 ( 2.524 -4.045 0.000) 4.768 30.915 ( 0.848 -3.259 0.000) 3.368 31.059 ( 5.151 -4.676 0.000) 6.957 31.243 ( -0.425 -9.562 0.000) 9.571 88.851 ( -0.426 -0.969 0.000) 1.059 88.881 ( -1.390 -1.062 0.000) 1.749 88.969 ( 0.029 -1.807 0.000) 1.807 88.970 ( -0.030 -1.185 0.000) 1.185 89.464 ( 0.560 8.516 0.000) 8.535 89.512 ( -0.511 15.365 0.000) 15.373 90.005 ( 18.297 -2.199 0.000) 18.428 91.743 ( -37.179 -28.772 0.000) 47.012 ======================= Grid point 22 (15/75) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 15.255 -9.135 0.000) 17.781 1.376 ( 3.819 2.582 0.000) 4.610 1.564 ( 2.132 -11.270 0.000) 11.469 1.651 ( -8.093 -4.565 0.000) 9.292 1.824 ( -4.161 -8.222 0.000) 9.214 1.940 ( -10.872 -5.136 0.000) 12.024 2.502 ( 5.918 -6.758 0.000) 8.983 2.578 ( 0.066 -1.975 0.000) 1.976 2.666 ( 11.216 12.129 0.000) 16.520 2.751 ( 6.059 10.419 0.000) 12.053 2.930 ( -5.636 8.511 0.000) 10.208 3.015 ( -9.409 8.690 0.000) 12.808 3.911 ( 4.760 0.907 0.000) 4.846 3.947 ( -0.511 4.586 0.000) 4.614 4.002 ( 9.081 1.713 0.000) 9.241 4.201 ( -9.355 -1.557 0.000) 9.484 4.333 ( 1.344 4.255 0.000) 4.463 4.416 ( -7.488 5.546 0.000) 9.319 4.642 ( -0.252 -0.969 0.000) 1.001 4.644 ( -0.380 2.449 0.000) 2.478 5.382 ( 3.738 5.340 0.000) 6.519 5.435 ( -1.315 4.065 0.000) 4.272 5.577 ( 4.486 0.918 0.000) 4.579 5.678 ( -5.626 2.726 0.000) 6.252 6.103 ( 9.174 -6.413 0.000) 11.194 6.134 ( 1.773 -3.404 0.000) 3.838 6.229 ( 2.619 -5.701 0.000) 6.274 6.393 ( -10.012 -5.839 0.000) 11.590 6.557 ( -0.009 -2.820 0.000) 2.820 6.584 ( -2.595 -4.834 0.000) 5.487 6.708 ( 2.396 -4.775 0.000) 5.343 6.757 ( -2.180 -5.261 0.000) 5.694 7.094 ( 3.674 1.169 0.000) 3.856 7.167 ( -3.699 1.974 0.000) 4.193 7.218 ( 0.879 1.189 0.000) 1.479 7.242 ( -1.558 2.680 0.000) 3.100 11.051 ( 5.615 3.419 0.000) 6.574 11.070 ( 6.363 3.027 0.000) 7.047 11.159 ( -4.418 3.094 0.000) 5.394 11.187 ( -4.591 1.668 0.000) 4.884 11.678 ( 0.106 -1.063 0.000) 1.069 11.680 ( 0.119 -0.115 0.000) 0.165 11.782 ( 0.742 0.397 0.000) 0.841 11.803 ( -1.352 -1.243 0.000) 1.837 12.509 ( 8.072 6.529 0.000) 10.382 12.588 ( 8.978 5.436 0.000) 10.495 12.654 ( -6.476 5.881 0.000) 8.748 12.749 ( -7.100 4.203 0.000) 8.251 13.891 ( 23.862 3.337 0.000) 24.095 14.354 ( -23.016 -1.069 0.000) 23.040 14.954 ( 0.478 -9.880 0.000) 9.892 14.994 ( -3.242 -12.175 0.000) 12.599 22.438 ( 7.030 4.120 0.000) 8.148 22.586 ( -8.088 3.874 0.000) 8.968 22.683 ( 3.768 9.880 0.000) 10.574 22.755 ( -3.820 7.280 0.000) 8.221 22.936 ( 6.658 -4.572 0.000) 8.077 23.075 ( -7.389 -3.492 0.000) 8.172 23.501 ( 0.653 -3.696 0.000) 3.753 23.509 ( -0.204 -4.045 0.000) 4.050 24.129 ( 2.255 -2.853 0.000) 3.636 24.153 ( -0.411 -0.247 0.000) 0.479 24.439 ( 6.641 -5.680 0.000) 8.739 24.582 ( -8.056 -6.863 0.000) 10.583 25.582 ( 2.301 4.015 0.000) 4.628 25.629 ( -2.380 5.327 0.000) 5.834 26.098 ( 9.942 -5.627 0.000) 11.424 26.290 ( -9.845 -6.566 0.000) 11.834 30.294 ( 4.463 8.420 0.000) 9.530 30.341 ( 3.242 8.413 0.000) 9.016 30.382 ( -4.605 6.738 0.000) 8.161 30.409 ( -3.636 6.837 0.000) 7.744 30.892 ( 1.898 -4.050 0.000) 4.472 30.917 ( -0.604 -3.764 0.000) 3.812 31.149 ( 4.080 -6.168 0.000) 7.395 31.213 ( -2.504 -7.815 0.000) 8.207 88.848 ( 0.192 -0.831 0.000) 0.853 88.859 ( -0.902 -0.819 0.000) 1.219 88.970 ( 0.041 -1.574 0.000) 1.575 88.970 ( -0.007 -1.395 0.000) 1.395 89.480 ( 0.996 10.979 0.000) 11.024 89.499 ( -0.850 13.288 0.000) 13.315 90.444 ( 27.135 -8.184 0.000) 28.342 91.043 ( -34.380 -17.291 0.000) 38.483 ======================= Grid point 27 (16/75) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 18.186 0.000) 18.186 1.551 ( 0.000 19.136 0.000) 19.136 1.717 ( 0.000 15.031 0.000) 15.031 1.756 ( 0.000 15.344 0.000) 15.344 1.791 ( 0.000 -8.803 0.000) 8.803 2.172 ( 0.000 1.766 0.000) 1.766 2.177 ( 0.000 1.879 0.000) 1.879 2.457 ( 0.000 -9.048 0.000) 9.048 2.671 ( 0.000 -7.264 0.000) 7.264 2.723 ( 0.000 0.264 0.000) 0.264 2.959 ( 0.000 -10.923 0.000) 10.923 3.124 ( 0.000 -13.655 0.000) 13.655 3.210 ( 0.000 11.112 0.000) 11.112 3.745 ( 0.000 -11.892 0.000) 11.892 4.243 ( 0.000 10.760 0.000) 10.760 4.431 ( 0.000 1.807 0.000) 1.807 4.552 ( 0.000 -4.839 0.000) 4.839 4.552 ( 0.000 6.807 0.000) 6.807 4.685 ( 0.000 -10.432 0.000) 10.432 4.804 ( 0.000 -4.248 0.000) 4.248 5.255 ( 0.000 4.284 0.000) 4.284 5.305 ( 0.000 10.086 0.000) 10.086 5.371 ( 0.000 -0.938 0.000) 0.938 5.532 ( 0.000 -0.969 0.000) 0.969 6.047 ( 0.000 8.578 0.000) 8.578 6.162 ( 0.000 6.004 0.000) 6.004 6.502 ( 0.000 -10.906 0.000) 10.906 6.555 ( 0.000 -8.363 0.000) 8.363 6.695 ( 0.000 4.926 0.000) 4.926 6.703 ( 0.000 2.525 0.000) 2.525 6.709 ( 0.000 1.441 0.000) 1.441 6.810 ( 0.000 -3.793 0.000) 3.793 6.963 ( 0.000 1.182 0.000) 1.182 7.120 ( 0.000 -5.003 0.000) 5.003 7.263 ( 0.000 3.284 0.000) 3.284 7.319 ( 0.000 0.778 0.000) 0.778 10.877 ( 0.000 3.075 0.000) 3.075 10.909 ( 0.000 3.725 0.000) 3.725 11.001 ( 0.000 -3.215 0.000) 3.215 11.035 ( 0.000 -2.545 0.000) 2.545 11.788 ( 0.000 5.574 0.000) 5.574 11.814 ( 0.000 1.506 0.000) 1.506 11.900 ( 0.000 5.020 0.000) 5.020 11.912 ( 0.000 -3.128 0.000) 3.128 12.232 ( 0.000 6.606 0.000) 6.606 12.232 ( 0.000 3.200 0.000) 3.200 12.489 ( 0.000 -5.905 0.000) 5.905 12.519 ( 0.000 -6.284 0.000) 6.284 13.708 ( 0.000 27.525 0.000) 27.525 14.825 ( 0.000 -21.828 0.000) 21.828 15.341 ( 0.000 0.258 0.000) 0.258 15.366 ( 0.000 -0.914 0.000) 0.914 22.273 ( 0.000 4.888 0.000) 4.888 22.542 ( 0.000 -7.639 0.000) 7.639 22.901 ( 0.000 4.485 0.000) 4.485 23.050 ( 0.000 4.157 0.000) 4.157 23.082 ( 0.000 -3.581 0.000) 3.581 23.136 ( 0.000 4.676 0.000) 4.676 23.263 ( 0.000 -5.373 0.000) 5.373 23.350 ( 0.000 -5.446 0.000) 5.446 23.845 ( 0.000 5.496 0.000) 5.496 24.080 ( 0.000 -5.352 0.000) 5.352 24.288 ( 0.000 8.776 0.000) 8.776 24.778 ( 0.000 -14.292 0.000) 14.292 25.473 ( 0.000 2.054 0.000) 2.054 25.580 ( 0.000 -2.470 0.000) 2.470 25.919 ( 0.000 14.098 0.000) 14.098 26.564 ( 0.000 -16.019 0.000) 16.019 30.360 ( 0.000 12.296 0.000) 12.296 30.524 ( 0.000 4.846 0.000) 4.846 30.651 ( 0.000 1.345 0.000) 1.345 30.673 ( 0.000 -4.298 0.000) 4.298 30.727 ( 0.000 2.078 0.000) 2.078 30.728 ( 0.000 -2.171 0.000) 2.171 30.810 ( 0.000 -1.701 0.000) 1.701 30.886 ( 0.000 -9.901 0.000) 9.901 88.895 ( 0.000 1.149 0.000) 1.149 88.907 ( 0.000 -1.148 0.000) 1.148 88.923 ( 0.000 -1.860 0.000) 1.860 88.965 ( 0.000 -1.522 0.000) 1.522 89.535 ( 0.000 1.100 0.000) 1.100 89.555 ( 0.000 -0.645 0.000) 0.645 90.047 ( 0.000 32.333 0.000) 32.333 91.967 ( 0.000 -56.517 0.000) 56.517 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.686 17.007 0.000) 17.932 1.315 ( -14.285 20.429 0.000) 24.927 1.643 ( -7.526 11.199 0.000) 13.493 1.871 ( 4.639 -7.753 0.000) 9.035 1.879 ( 3.495 0.125 0.000) 3.497 2.182 ( 4.738 8.363 0.000) 9.612 2.194 ( 0.008 -3.205 0.000) 3.205 2.430 ( -2.946 -3.839 0.000) 4.839 2.588 ( -5.088 0.384 0.000) 5.102 2.730 ( 0.547 -0.813 0.000) 0.979 3.028 ( 5.217 -10.566 0.000) 11.783 3.052 ( -2.300 -2.677 0.000) 3.529 3.355 ( 9.838 1.711 0.000) 9.986 3.770 ( 2.512 -10.440 0.000) 10.738 4.232 ( -1.450 10.213 0.000) 10.316 4.420 ( -0.840 2.300 0.000) 2.449 4.495 ( -4.188 2.217 0.000) 4.739 4.560 ( 0.362 -5.589 0.000) 5.601 4.727 ( 1.583 -4.939 0.000) 5.186 4.804 ( 0.650 -3.696 0.000) 3.753 5.279 ( 2.485 4.462 0.000) 5.108 5.305 ( 0.356 9.596 0.000) 9.602 5.407 ( 3.908 -1.458 0.000) 4.171 5.534 ( 0.135 -1.169 0.000) 1.177 6.032 ( -1.614 8.156 0.000) 8.315 6.167 ( 0.325 5.491 0.000) 5.500 6.436 ( -6.544 -6.711 0.000) 9.373 6.538 ( -1.510 -6.486 0.000) 6.659 6.651 ( -3.840 1.431 0.000) 4.098 6.653 ( -2.452 0.368 0.000) 2.480 6.720 ( -0.772 -0.495 0.000) 0.917 6.791 ( -2.717 -4.364 0.000) 5.141 6.969 ( 1.183 2.299 0.000) 2.586 7.132 ( 0.976 -4.432 0.000) 4.538 7.293 ( 2.303 2.763 0.000) 3.597 7.325 ( 0.425 1.010 0.000) 1.095 10.879 ( 1.144 4.521 0.000) 4.663 10.914 ( 0.961 4.387 0.000) 4.491 11.064 ( 5.253 -4.252 0.000) 6.759 11.078 ( 3.842 -3.311 0.000) 5.071 11.773 ( -1.442 5.019 0.000) 5.222 11.795 ( -1.908 1.402 0.000) 2.368 11.876 ( -3.127 -2.611 0.000) 4.074 11.888 ( -1.301 3.502 0.000) 3.736 12.258 ( 2.962 4.814 0.000) 5.652 12.270 ( 3.983 6.917 0.000) 7.981 12.546 ( 5.433 -6.232 0.000) 8.267 12.580 ( 5.474 -6.741 0.000) 8.684 13.710 ( 0.268 27.266 0.000) 27.268 14.812 ( -1.353 -21.591 0.000) 21.634 15.224 ( -10.267 1.766 0.000) 10.418 15.315 ( -6.366 -2.241 0.000) 6.749 22.290 ( 1.751 5.100 0.000) 5.392 22.554 ( 1.532 -6.559 0.000) 6.736 22.860 ( -2.324 7.401 0.000) 7.757 23.032 ( -1.883 4.110 0.000) 4.520 23.089 ( -4.229 4.015 0.000) 5.832 23.168 ( 6.487 -7.485 0.000) 9.905 23.269 ( -0.164 -4.176 0.000) 4.179 23.345 ( -0.146 -5.567 0.000) 5.569 23.870 ( 2.545 4.684 0.000) 5.330 24.095 ( 1.556 -5.442 0.000) 5.660 24.282 ( -0.623 8.373 0.000) 8.396 24.748 ( -3.018 -13.427 0.000) 13.762 25.497 ( 2.276 1.889 0.000) 2.958 25.602 ( 2.403 -2.594 0.000) 3.536 25.914 ( -0.602 13.373 0.000) 13.387 26.525 ( -3.835 -14.897 0.000) 15.383 30.373 ( 1.166 12.097 0.000) 12.153 30.497 ( -1.858 6.848 0.000) 7.096 30.642 ( -0.857 2.081 0.000) 2.251 30.673 ( -2.507 1.788 0.000) 3.079 30.681 ( 0.834 -4.633 0.000) 4.707 30.790 ( 3.124 -1.845 0.000) 3.628 30.823 ( 1.436 -2.215 0.000) 2.640 30.923 ( 3.183 -11.070 0.000) 11.519 88.885 ( -0.867 1.145 0.000) 1.437 88.902 ( -0.492 -0.937 0.000) 1.058 88.924 ( 0.069 -1.875 0.000) 1.876 88.958 ( -0.656 -1.628 0.000) 1.755 89.539 ( 0.934 2.125 0.000) 2.321 89.600 ( 4.289 -0.595 0.000) 4.330 90.029 ( -1.783 31.033 0.000) 31.084 91.848 ( -11.940 -53.085 0.000) 54.412 ======================= Grid point 29 (18/75) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -8.502 17.628 0.000) 19.571 1.313 ( 8.416 13.843 0.000) 16.201 1.497 ( -7.006 8.881 0.000) 11.312 1.785 ( -9.420 -13.399 0.000) 16.379 1.940 ( -0.214 -11.312 0.000) 11.314 2.123 ( -4.312 -13.452 0.000) 14.126 2.300 ( -2.578 3.499 0.000) 4.346 2.412 ( 7.176 7.838 0.000) 10.627 2.589 ( 5.384 13.975 0.000) 14.976 2.737 ( 0.703 1.813 0.000) 1.944 3.061 ( 2.396 -1.012 0.000) 2.601 3.119 ( 3.830 -8.179 0.000) 9.031 3.553 ( 10.628 2.122 0.000) 10.838 3.833 ( 3.642 -6.506 0.000) 7.456 4.181 ( -3.633 8.639 0.000) 9.372 4.408 ( -5.095 -1.387 0.000) 5.281 4.408 ( -0.353 2.619 0.000) 2.642 4.556 ( -0.598 -5.861 0.000) 5.892 4.726 ( -0.703 0.780 0.000) 1.050 4.806 ( -1.936 -0.830 0.000) 2.106 5.341 ( 3.838 6.512 0.000) 7.559 5.347 ( 4.396 5.362 0.000) 6.934 5.528 ( 8.551 -3.545 0.000) 9.257 5.535 ( -0.048 -1.250 0.000) 1.251 5.983 ( -3.542 6.940 0.000) 7.792 6.165 ( -0.826 4.632 0.000) 4.705 6.285 ( -8.059 -3.339 0.000) 8.723 6.514 ( -0.745 -5.998 0.000) 6.044 6.562 ( -5.133 -1.493 0.000) 5.345 6.607 ( -2.552 -0.856 0.000) 2.692 6.698 ( -1.185 -3.282 0.000) 3.489 6.706 ( -5.438 -4.747 0.000) 7.219 7.007 ( 2.469 2.666 0.000) 3.634 7.152 ( 1.073 -3.456 0.000) 3.618 7.317 ( -0.695 1.949 0.000) 2.069 7.330 ( 0.262 1.416 0.000) 1.440 10.934 ( 4.400 5.836 0.000) 7.308 10.954 ( 3.206 5.140 0.000) 6.058 11.159 ( 3.927 -3.947 0.000) 5.568 11.165 ( 4.495 -4.349 0.000) 6.255 11.740 ( -1.737 3.870 0.000) 4.242 11.743 ( -3.202 1.555 0.000) 3.560 11.820 ( -2.365 -2.368 0.000) 3.347 11.851 ( -2.320 1.032 0.000) 2.539 12.352 ( 6.569 7.087 0.000) 9.663 12.381 ( 7.286 7.242 0.000) 10.273 12.674 ( 7.154 -6.711 0.000) 9.809 12.694 ( 5.487 -5.864 0.000) 8.031 13.728 ( 2.074 25.786 0.000) 25.869 14.775 ( -2.404 -20.837 0.000) 20.975 14.985 ( -13.567 1.994 0.000) 13.713 15.128 ( -12.349 -3.897 0.000) 12.950 22.340 ( 3.475 5.569 0.000) 6.564 22.609 ( 4.052 -5.985 0.000) 7.227 22.839 ( 0.151 10.559 0.000) 10.561 22.964 ( -5.798 3.813 0.000) 6.940 23.002 ( -3.879 3.987 0.000) 5.563 23.237 ( -2.992 -2.553 0.000) 3.933 23.281 ( 4.752 -10.085 0.000) 11.149 23.355 ( 1.010 -5.822 0.000) 5.909 23.938 ( 4.309 2.726 0.000) 5.099 24.139 ( 3.012 -5.643 0.000) 6.396 24.263 ( -1.310 7.162 0.000) 7.281 24.667 ( -5.220 -11.482 0.000) 12.613 25.549 ( 2.954 2.397 0.000) 3.804 25.679 ( 5.556 -3.499 0.000) 6.566 25.892 ( -1.850 11.687 0.000) 11.832 26.424 ( -6.370 -12.555 0.000) 14.079 30.397 ( 1.214 10.765 0.000) 10.833 30.481 ( 0.431 10.279 0.000) 10.288 30.618 ( -1.755 3.543 0.000) 3.954 30.630 ( -1.854 3.703 0.000) 4.141 30.705 ( 1.707 -5.355 0.000) 5.620 30.829 ( 1.113 -2.717 0.000) 2.936 30.876 ( 3.648 -4.025 0.000) 5.432 30.984 ( 2.724 -12.030 0.000) 12.334 88.867 ( -0.879 1.147 0.000) 1.445 88.889 ( -0.785 -0.389 0.000) 0.876 88.925 ( 0.122 -1.915 0.000) 1.919 88.944 ( -0.604 -1.829 0.000) 1.926 89.574 ( 2.698 4.879 0.000) 5.575 89.721 ( 8.372 -1.693 0.000) 8.542 89.980 ( -3.257 27.491 0.000) 27.683 91.529 ( -20.357 -44.022 0.000) 48.501 ======================= Grid point 30 (19/75) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 1.174 9.415 0.000) 9.488 1.387 ( -3.317 0.697 0.000) 3.389 1.457 ( 3.083 8.010 0.000) 8.582 1.595 ( -9.403 -15.001 0.000) 17.704 1.804 ( -7.517 -7.036 0.000) 10.296 2.171 ( 6.400 -12.435 0.000) 13.985 2.174 ( -8.171 6.065 0.000) 10.176 2.503 ( -0.706 -5.366 0.000) 5.413 2.743 ( 9.384 14.588 0.000) 17.345 2.819 ( 8.274 11.249 0.000) 13.964 3.101 ( 0.776 0.668 0.000) 1.024 3.164 ( 0.539 -3.708 0.000) 3.747 3.764 ( 10.909 2.604 0.000) 11.216 3.905 ( 4.053 -2.056 0.000) 4.545 4.105 ( -3.936 6.299 0.000) 7.428 4.291 ( -6.806 -2.958 0.000) 7.421 4.406 ( 0.120 3.007 0.000) 3.010 4.555 ( 1.097 -4.940 0.000) 5.060 4.691 ( -5.118 3.627 0.000) 6.273 4.731 ( -3.546 2.362 0.000) 4.261 5.440 ( 4.872 6.933 0.000) 8.474 5.446 ( 6.316 3.248 0.000) 7.102 5.539 ( 0.778 -0.197 0.000) 0.802 5.718 ( 9.683 -6.458 0.000) 11.639 5.899 ( -4.257 5.859 0.000) 7.242 6.131 ( -2.563 2.829 0.000) 3.817 6.152 ( -5.241 -4.649 0.000) 7.005 6.424 ( -8.239 -8.868 0.000) 12.105 6.531 ( 0.748 -1.013 0.000) 1.259 6.559 ( -2.152 -0.064 0.000) 2.153 6.614 ( -3.057 -3.984 0.000) 5.022 6.676 ( -1.212 -4.813 0.000) 4.963 7.061 ( 3.069 2.307 0.000) 3.839 7.176 ( 1.576 -2.411 0.000) 2.880 7.278 ( -3.056 1.913 0.000) 3.605 7.316 ( -1.765 0.887 0.000) 1.976 11.033 ( 4.720 4.917 0.000) 6.815 11.036 ( 5.721 5.370 0.000) 7.847 11.213 ( 1.431 -2.724 0.000) 3.077 11.220 ( 1.015 -2.209 0.000) 2.431 11.691 ( -1.744 1.464 0.000) 2.277 11.711 ( -1.226 2.470 0.000) 2.758 11.784 ( -1.450 -2.524 0.000) 2.911 11.805 ( -2.289 -0.476 0.000) 2.338 12.498 ( 8.151 7.691 0.000) 11.207 12.540 ( 8.734 6.852 0.000) 11.101 12.768 ( 1.741 -1.999 0.000) 2.651 12.791 ( 3.995 -4.875 0.000) 6.303 13.815 ( 7.646 20.552 0.000) 21.928 14.709 ( -15.658 0.597 0.000) 15.669 14.725 ( -2.487 -19.330 0.000) 19.489 14.880 ( -11.624 -6.255 0.000) 13.200 22.425 ( 5.269 5.818 0.000) 7.849 22.698 ( 4.782 -6.809 0.000) 8.320 22.829 ( -7.586 4.398 0.000) 8.769 22.868 ( 2.978 12.651 0.000) 12.996 22.931 ( -3.773 2.743 0.000) 4.665 23.162 ( -4.689 0.101 0.000) 4.690 23.349 ( 2.412 -9.574 0.000) 9.873 23.375 ( 0.894 -6.341 0.000) 6.403 24.027 ( 4.701 1.291 0.000) 4.875 24.211 ( 4.407 -5.908 0.000) 7.371 24.230 ( -2.096 5.260 0.000) 5.662 24.553 ( -6.368 -9.379 0.000) 11.337 25.612 ( 3.559 3.945 0.000) 5.314 25.809 ( 7.648 -5.105 0.000) 9.196 25.842 ( -3.293 9.767 0.000) 10.308 26.287 ( -7.733 -10.347 0.000) 12.918 30.424 ( 1.835 9.287 0.000) 9.467 30.506 ( 1.739 11.311 0.000) 11.444 30.575 ( -2.561 4.981 0.000) 5.601 30.601 ( -1.439 5.880 0.000) 6.054 30.747 ( 2.481 -5.480 0.000) 6.015 30.841 ( 0.097 -3.408 0.000) 3.410 30.945 ( 3.309 -6.005 0.000) 6.857 31.022 ( 1.106 -11.454 0.000) 11.507 88.855 ( -0.386 1.181 0.000) 1.243 88.873 ( -0.803 0.286 0.000) 0.853 88.928 ( 0.150 -1.976 0.000) 1.981 88.936 ( -0.253 -2.007 0.000) 2.023 89.640 ( 4.026 8.304 0.000) 9.228 89.906 ( -4.266 22.584 0.000) 22.983 89.930 ( 13.370 -4.940 0.000) 14.253 91.095 ( -23.729 -32.203 0.000) 40.001 ======================= Grid point 31 (20/75) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 9.573 -0.219 0.000) 9.575 1.343 ( -10.910 -4.582 0.000) 11.833 1.368 ( 0.569 -7.034 0.000) 7.057 1.442 ( -6.136 -12.457 0.000) 13.886 1.829 ( 7.763 7.828 0.000) 11.024 2.003 ( -9.317 8.311 0.000) 12.486 2.305 ( 6.991 -11.246 0.000) 13.242 2.430 ( -5.668 -9.555 0.000) 11.110 2.922 ( 8.398 11.111 0.000) 13.928 2.985 ( 6.405 9.257 0.000) 11.257 3.075 ( -2.533 4.738 0.000) 5.372 3.131 ( -3.970 2.163 0.000) 4.522 3.938 ( 6.265 1.758 0.000) 6.506 4.013 ( 7.415 -0.689 0.000) 7.447 4.031 ( -3.944 3.532 0.000) 5.294 4.155 ( -7.124 -2.592 0.000) 7.581 4.430 ( 3.215 4.844 0.000) 5.814 4.544 ( -7.987 5.913 0.000) 9.937 4.603 ( 3.534 -2.809 0.000) 4.515 4.674 ( -3.393 0.124 0.000) 3.395 5.516 ( 2.564 7.287 0.000) 7.725 5.530 ( 1.186 4.571 0.000) 4.722 5.601 ( 6.271 1.104 0.000) 6.368 5.730 ( -6.273 1.145 0.000) 6.377 5.977 ( 9.326 -4.375 0.000) 10.302 6.075 ( -2.911 -1.566 0.000) 3.305 6.100 ( 0.855 -6.274 0.000) 6.332 6.238 ( -10.392 -8.054 0.000) 13.147 6.528 ( -0.577 -0.849 0.000) 1.027 6.530 ( -0.839 0.133 0.000) 0.849 6.610 ( 1.745 -4.288 0.000) 4.629 6.647 ( -1.779 -4.949 0.000) 5.260 7.128 ( 3.867 2.053 0.000) 4.379 7.206 ( -4.114 1.968 0.000) 4.560 7.216 ( 2.497 -1.252 0.000) 2.793 7.269 ( -2.851 -0.086 0.000) 2.853 11.126 ( 4.624 3.545 0.000) 5.826 11.140 ( 4.605 3.316 0.000) 5.674 11.203 ( -2.604 0.937 0.000) 2.767 11.208 ( -1.928 0.152 0.000) 1.934 11.679 ( 0.281 1.044 0.000) 1.081 11.692 ( -0.848 1.280 0.000) 1.535 11.764 ( -0.474 -2.306 0.000) 2.354 11.770 ( -1.144 -1.487 0.000) 1.876 12.649 ( 7.021 6.507 0.000) 9.572 12.701 ( 7.401 4.878 0.000) 8.864 12.752 ( -3.283 3.090 0.000) 4.508 12.804 ( -2.671 0.469 0.000) 2.712 14.038 ( 15.175 11.124 0.000) 18.815 14.372 ( -18.405 3.373 0.000) 18.711 14.692 ( -0.514 -16.437 0.000) 16.445 14.725 ( -4.438 -11.527 0.000) 12.352 22.542 ( 6.735 5.630 0.000) 8.778 22.681 ( -7.592 5.098 0.000) 9.145 22.783 ( 3.962 -4.113 0.000) 5.711 22.857 ( -3.814 0.086 0.000) 3.815 22.951 ( 5.367 9.665 0.000) 11.055 23.061 ( -5.640 4.282 0.000) 7.081 23.380 ( 0.867 -8.278 0.000) 8.323 23.386 ( 0.175 -7.162 0.000) 7.164 24.113 ( 4.038 1.505 0.000) 4.310 24.181 ( -3.026 3.112 0.000) 4.340 24.309 ( 5.693 -6.473 0.000) 8.620 24.427 ( -6.473 -7.629 0.000) 10.005 25.687 ( 4.154 5.887 0.000) 7.205 25.768 ( -4.153 7.850 0.000) 8.881 25.966 ( 8.457 -6.830 0.000) 10.871 26.130 ( -8.407 -8.526 0.000) 11.973 30.468 ( 2.637 8.033 0.000) 8.455 30.522 ( -2.822 6.564 0.000) 7.145 30.540 ( 1.739 9.942 0.000) 10.093 30.572 ( -1.564 7.940 0.000) 8.092 30.795 ( 2.310 -4.846 0.000) 5.368 30.830 ( -1.219 -4.085 0.000) 4.263 30.999 ( 2.159 -8.002 0.000) 8.288 31.026 ( -0.605 -9.919 0.000) 9.937 88.853 ( 0.151 1.137 0.000) 1.146 88.860 ( -0.568 0.846 0.000) 1.019 88.931 ( 0.131 -2.044 0.000) 2.048 88.933 ( -0.112 -2.077 0.000) 2.080 89.726 ( 4.711 12.426 0.000) 13.289 89.818 ( -4.766 17.306 0.000) 17.950 90.239 ( 18.611 -11.196 0.000) 21.719 90.641 ( -22.631 -20.583 0.000) 30.591 ======================= Grid point 36 (21/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 -17.410 0.000) 17.410 1.489 ( 0.000 17.410 0.000) 17.410 1.827 ( 0.000 -5.101 0.000) 5.101 1.827 ( 0.000 5.101 0.000) 5.101 2.064 ( 0.000 -12.762 0.000) 12.762 2.064 ( 0.000 12.762 0.000) 12.762 2.263 ( 0.000 -7.761 0.000) 7.761 2.263 ( 0.000 7.761 0.000) 7.761 2.725 ( 0.000 -10.159 0.000) 10.159 2.725 ( 0.000 10.159 0.000) 10.159 2.849 ( 0.000 -11.340 0.000) 11.340 2.849 ( 0.000 11.340 0.000) 11.340 3.474 ( 0.000 -13.483 0.000) 13.483 3.474 ( 0.000 13.483 0.000) 13.483 4.465 ( 0.000 -10.624 0.000) 10.624 4.465 ( 0.000 10.624 0.000) 10.624 4.477 ( 0.000 -2.677 0.000) 2.677 4.477 ( 0.000 2.677 0.000) 2.677 4.692 ( 0.000 -6.320 0.000) 6.320 4.692 ( 0.000 6.320 0.000) 6.320 5.330 ( 0.000 -2.903 0.000) 2.903 5.330 ( 0.000 2.903 0.000) 2.903 5.469 ( 0.000 -5.374 0.000) 5.374 5.469 ( 0.000 5.374 0.000) 5.374 6.262 ( 0.000 -11.492 0.000) 11.492 6.262 ( 0.000 11.492 0.000) 11.492 6.341 ( 0.000 -10.567 0.000) 10.567 6.341 ( 0.000 10.567 0.000) 10.567 6.728 ( 0.000 -0.005 0.000) 0.005 6.728 ( 0.000 0.005 0.000) 0.005 6.763 ( 0.000 -1.945 0.000) 1.945 6.763 ( 0.000 1.945 0.000) 1.945 7.020 ( 0.000 -4.205 0.000) 4.205 7.020 ( 0.000 4.205 0.000) 4.205 7.314 ( 0.000 -1.366 0.000) 1.366 7.314 ( 0.000 1.366 0.000) 1.366 10.938 ( 0.000 -2.873 0.000) 2.873 10.938 ( 0.000 2.873 0.000) 2.873 10.979 ( 0.000 -2.986 0.000) 2.986 10.979 ( 0.000 2.986 0.000) 2.986 11.854 ( 0.000 -2.398 0.000) 2.398 11.854 ( 0.000 2.398 0.000) 2.398 11.896 ( 0.000 -4.016 0.000) 4.016 11.896 ( 0.000 4.016 0.000) 4.016 12.349 ( 0.000 -7.101 0.000) 7.101 12.349 ( 0.000 7.101 0.000) 7.101 12.377 ( 0.000 -7.124 0.000) 7.124 12.377 ( 0.000 7.124 0.000) 7.124 14.301 ( 0.000 -27.880 0.000) 27.880 14.301 ( 0.000 27.880 0.000) 27.880 15.350 ( 0.000 -0.608 0.000) 0.608 15.350 ( 0.000 0.608 0.000) 0.608 22.393 ( 0.000 -6.562 0.000) 6.562 22.393 ( 0.000 6.562 0.000) 6.562 22.996 ( 0.000 -4.528 0.000) 4.528 22.996 ( 0.000 4.528 0.000) 4.528 23.150 ( 0.000 -5.302 0.000) 5.302 23.150 ( 0.000 5.302 0.000) 5.302 23.239 ( 0.000 -5.189 0.000) 5.189 23.239 ( 0.000 5.189 0.000) 5.189 23.963 ( 0.000 -5.740 0.000) 5.740 23.963 ( 0.000 5.740 0.000) 5.740 24.503 ( 0.000 -11.882 0.000) 11.882 24.503 ( 0.000 11.882 0.000) 11.882 25.524 ( 0.000 -2.728 0.000) 2.728 25.524 ( 0.000 2.728 0.000) 2.728 26.231 ( 0.000 -15.672 0.000) 15.672 26.231 ( 0.000 15.672 0.000) 15.672 30.566 ( 0.000 -6.597 0.000) 6.597 30.566 ( 0.000 6.597 0.000) 6.597 30.671 ( 0.000 -9.890 0.000) 9.890 30.671 ( 0.000 9.890 0.000) 9.890 30.685 ( 0.000 -1.888 0.000) 1.888 30.685 ( 0.000 1.888 0.000) 1.888 30.770 ( 0.000 -2.057 0.000) 2.057 30.770 ( 0.000 2.057 0.000) 2.057 88.898 ( 0.000 -0.401 0.000) 0.401 88.898 ( 0.000 0.401 0.000) 0.401 88.927 ( 0.000 -1.859 0.000) 1.859 88.927 ( 0.000 1.859 0.000) 1.859 89.548 ( 0.000 -0.255 0.000) 0.255 89.548 ( 0.000 0.255 0.000) 0.255 90.875 ( 0.000 -46.935 0.000) 46.935 90.875 ( 0.000 46.935 0.000) 46.935 ======================= Grid point 38 (22/75) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 3.182 -16.144 0.000) 16.455 1.523 ( 3.182 16.144 0.000) 16.455 1.688 ( -11.576 -14.880 0.000) 18.853 1.688 ( -11.576 14.880 0.000) 18.853 1.986 ( -7.204 -13.471 0.000) 15.276 1.986 ( -7.204 13.471 0.000) 15.276 2.345 ( 5.474 -5.655 0.000) 7.870 2.345 ( 5.474 5.655 0.000) 7.870 2.776 ( 4.818 -12.838 0.000) 13.712 2.776 ( 4.818 12.838 0.000) 13.712 2.859 ( 1.402 -11.466 0.000) 11.552 2.859 ( 1.402 11.466 0.000) 11.552 3.531 ( 5.601 -11.687 0.000) 12.960 3.531 ( 5.601 11.687 0.000) 12.960 4.426 ( -3.712 -7.940 0.000) 8.765 4.426 ( -3.712 7.940 0.000) 8.765 4.474 ( -0.346 -3.024 0.000) 3.044 4.474 ( -0.346 3.024 0.000) 3.044 4.721 ( 2.502 -3.603 0.000) 4.386 4.721 ( 2.502 3.603 0.000) 4.386 5.358 ( 3.004 -3.147 0.000) 4.351 5.358 ( 3.004 3.147 0.000) 4.351 5.467 ( -0.115 -5.515 0.000) 5.516 5.467 ( -0.115 5.515 0.000) 5.516 6.234 ( -2.921 -10.676 0.000) 11.069 6.234 ( -2.921 10.676 0.000) 11.069 6.335 ( -0.655 -10.145 0.000) 10.166 6.335 ( -0.655 10.145 0.000) 10.166 6.694 ( -2.998 -2.045 0.000) 3.629 6.694 ( -2.998 2.045 0.000) 3.629 6.716 ( -4.392 -3.442 0.000) 5.580 6.716 ( -4.392 3.442 0.000) 5.580 7.040 ( 1.696 -4.172 0.000) 4.503 7.040 ( 1.696 4.172 0.000) 4.503 7.329 ( 1.197 -0.731 0.000) 1.403 7.329 ( 1.197 0.731 0.000) 1.403 10.973 ( 3.437 -4.460 0.000) 5.630 10.973 ( 3.437 4.460 0.000) 5.630 11.003 ( 2.380 -3.979 0.000) 4.636 11.003 ( 2.380 3.979 0.000) 4.636 11.829 ( -2.348 -1.888 0.000) 3.013 11.829 ( -2.348 1.888 0.000) 3.013 11.871 ( -2.318 -3.818 0.000) 4.467 11.871 ( -2.318 3.818 0.000) 4.467 12.398 ( 4.744 -7.665 0.000) 9.014 12.398 ( 4.744 7.665 0.000) 9.014 12.426 ( 4.744 -7.739 0.000) 9.078 12.426 ( 4.744 7.739 0.000) 9.078 14.294 ( -0.621 -27.473 0.000) 27.480 14.294 ( -0.621 27.473 0.000) 27.480 15.266 ( -8.371 -2.276 0.000) 8.675 15.266 ( -8.371 2.276 0.000) 8.675 22.413 ( 2.017 -6.558 0.000) 6.861 22.413 ( 2.017 6.558 0.000) 6.861 23.016 ( 1.936 -7.351 0.000) 7.602 23.016 ( 1.936 7.351 0.000) 7.602 23.116 ( -3.294 -2.939 0.000) 4.415 23.116 ( -3.294 2.939 0.000) 4.415 23.243 ( 0.286 -3.298 0.000) 3.311 23.243 ( 0.286 3.298 0.000) 3.311 23.979 ( 1.606 -5.560 0.000) 5.788 23.979 ( 1.606 5.560 0.000) 5.788 24.487 ( -1.609 -11.333 0.000) 11.446 24.487 ( -1.609 11.333 0.000) 11.446 25.546 ( 2.221 -2.646 0.000) 3.454 25.546 ( 2.221 2.646 0.000) 3.454 26.212 ( -2.045 -14.924 0.000) 15.063 26.212 ( -2.045 14.924 0.000) 15.063 30.568 ( 0.229 -6.454 0.000) 6.458 30.568 ( 0.229 6.454 0.000) 6.458 30.682 ( -0.314 -1.271 0.000) 1.309 30.682 ( -0.314 1.271 0.000) 1.309 30.687 ( 1.562 -11.175 0.000) 11.283 30.687 ( 1.562 11.175 0.000) 11.283 30.781 ( 1.053 -1.308 0.000) 1.680 30.781 ( 1.053 1.308 0.000) 1.680 88.897 ( -0.101 -0.548 0.000) 0.557 88.897 ( -0.101 0.548 0.000) 0.557 88.919 ( -0.797 -1.915 0.000) 2.074 88.919 ( -0.797 1.915 0.000) 2.074 89.578 ( 3.076 -1.541 0.000) 3.441 89.578 ( 3.076 1.541 0.000) 3.441 90.818 ( -5.707 -44.481 0.000) 44.845 90.818 ( -5.707 44.481 0.000) 44.845 ======================= Grid point 40 (23/75) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -11.457 -17.284 0.000) 20.737 1.455 ( -11.457 17.284 0.000) 20.737 1.570 ( -0.666 -8.891 0.000) 8.916 1.570 ( -0.666 8.891 0.000) 8.916 1.851 ( -3.817 -9.679 0.000) 10.404 1.851 ( -3.817 9.679 0.000) 10.404 2.399 ( -0.412 -5.207 0.000) 5.224 2.399 ( -0.412 5.207 0.000) 5.224 2.890 ( 6.492 -13.452 0.000) 14.936 2.890 ( 6.492 13.452 0.000) 14.936 2.921 ( 5.010 -10.917 0.000) 12.012 2.921 ( 5.010 10.917 0.000) 12.012 3.672 ( 8.496 -8.056 0.000) 11.708 3.672 ( 8.496 8.056 0.000) 11.708 4.333 ( -5.662 -5.722 0.000) 8.050 4.333 ( -5.662 5.722 0.000) 8.050 4.465 ( -0.444 -3.162 0.000) 3.193 4.465 ( -0.444 3.162 0.000) 3.193 4.763 ( 1.086 -2.540 0.000) 2.762 4.763 ( 1.086 2.540 0.000) 2.762 5.447 ( 6.120 -4.311 0.000) 7.486 5.447 ( 6.120 4.311 0.000) 7.486 5.471 ( 0.835 -4.981 0.000) 5.051 5.471 ( 0.835 4.981 0.000) 5.051 6.149 ( -5.681 -8.372 0.000) 10.117 6.149 ( -5.681 8.372 0.000) 10.117 6.311 ( -2.042 -9.293 0.000) 9.515 6.311 ( -2.042 9.293 0.000) 9.515 6.619 ( -4.985 -3.732 0.000) 6.228 6.619 ( -4.985 3.732 0.000) 6.228 6.635 ( -2.750 -2.732 0.000) 3.877 6.635 ( -2.750 2.732 0.000) 3.877 7.076 ( 1.958 -3.665 0.000) 4.155 7.076 ( 1.958 3.665 0.000) 4.155 7.341 ( -0.363 -0.394 0.000) 0.536 7.341 ( -0.363 0.394 0.000) 0.536 11.058 ( 4.870 -5.742 0.000) 7.529 11.058 ( 4.870 5.742 0.000) 7.529 11.064 ( 3.697 -5.084 0.000) 6.286 11.064 ( 3.697 5.084 0.000) 6.286 11.777 ( -2.722 -1.779 0.000) 3.252 11.777 ( -2.722 1.779 0.000) 3.252 11.819 ( -2.829 -3.296 0.000) 4.343 11.819 ( -2.829 3.296 0.000) 4.343 12.517 ( 7.203 -8.171 0.000) 10.893 12.517 ( 7.203 8.171 0.000) 10.893 12.544 ( 7.038 -7.979 0.000) 10.639 12.544 ( 7.038 7.979 0.000) 10.640 14.280 ( -0.676 -26.040 0.000) 26.049 14.280 ( -0.676 26.040 0.000) 26.049 15.046 ( -13.735 -3.670 0.000) 14.217 15.046 ( -13.735 3.670 0.000) 14.217 22.469 ( 3.795 -6.697 0.000) 7.697 22.469 ( 3.795 6.697 0.000) 7.697 23.031 ( -5.387 -1.778 0.000) 5.672 23.031 ( -5.387 1.778 0.000) 5.672 23.065 ( 2.972 -10.689 0.000) 11.094 23.065 ( 2.972 10.689 0.000) 11.094 23.246 ( -0.077 -3.773 0.000) 3.774 23.246 ( -0.077 3.773 0.000) 3.774 24.024 ( 3.082 -5.130 0.000) 5.985 24.024 ( 3.082 5.130 0.000) 5.985 24.441 ( -3.103 -9.868 0.000) 10.344 24.441 ( -3.103 9.868 0.000) 10.344 25.608 ( 4.185 -3.190 0.000) 5.262 25.608 ( 4.185 3.190 0.000) 5.262 26.153 ( -3.965 -13.115 0.000) 13.701 26.153 ( -3.965 13.115 0.000) 13.701 30.576 ( 0.662 -6.999 0.000) 7.030 30.576 ( 0.662 6.999 0.000) 7.030 30.673 ( -0.572 -0.767 0.000) 0.957 30.673 ( -0.572 0.767 0.000) 0.957 30.727 ( 2.454 -12.489 0.000) 12.728 30.727 ( 2.454 12.489 0.000) 12.728 30.806 ( 1.391 -1.681 0.000) 2.181 30.806 ( 1.391 1.681 0.000) 2.181 88.895 ( -0.155 -0.928 0.000) 0.940 88.895 ( -0.155 0.928 0.000) 0.940 88.902 ( -0.776 -2.039 0.000) 2.181 88.902 ( -0.776 2.039 0.000) 2.181 89.665 ( 5.845 -3.650 0.000) 6.891 89.665 ( 5.845 3.650 0.000) 6.891 90.664 ( -9.954 -37.905 0.000) 39.190 90.664 ( -9.954 37.905 0.000) 39.190 ======================= Grid point 42 (24/75) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -6.626 -14.772 0.000) 16.190 1.275 ( -6.626 14.772 0.000) 16.190 1.452 ( -9.260 -5.047 0.000) 10.546 1.452 ( -9.260 5.047 0.000) 10.546 1.900 ( 6.839 -12.413 0.000) 14.173 1.900 ( 6.839 12.413 0.000) 14.173 2.339 ( -5.264 -8.810 0.000) 10.263 2.339 ( -5.264 8.810 0.000) 10.263 3.012 ( 5.797 -10.608 0.000) 12.089 3.012 ( 5.797 10.608 0.000) 12.089 3.029 ( 5.433 -7.397 0.000) 9.178 3.029 ( 5.433 7.397 0.000) 9.178 3.839 ( 8.257 -4.041 0.000) 9.192 3.839 ( 8.257 4.041 0.000) 9.192 4.216 ( -6.259 -4.412 0.000) 7.658 4.216 ( -6.259 4.412 0.000) 7.658 4.469 ( 1.267 -3.363 0.000) 3.594 4.469 ( 1.267 3.363 0.000) 3.594 4.742 ( -3.417 -1.193 0.000) 3.619 4.742 ( -3.417 1.193 0.000) 3.619 5.512 ( 3.534 -2.501 0.000) 4.330 5.512 ( 3.534 2.501 0.000) 4.330 5.582 ( 7.114 -6.632 0.000) 9.726 5.582 ( 7.114 6.632 0.000) 9.726 6.032 ( -5.711 -6.572 0.000) 8.707 6.032 ( -5.711 6.572 0.000) 8.707 6.239 ( -5.763 -7.561 0.000) 9.507 6.239 ( -5.763 7.561 0.000) 9.507 6.549 ( -1.837 -2.187 0.000) 2.857 6.549 ( -1.837 2.187 0.000) 2.857 6.592 ( -1.796 -3.058 0.000) 3.547 6.592 ( -1.796 3.058 0.000) 3.547 7.118 ( 2.509 -2.990 0.000) 3.903 7.118 ( 2.509 2.990 0.000) 3.903 7.311 ( -2.622 -1.142 0.000) 2.860 7.311 ( -2.622 1.142 0.000) 2.860 11.135 ( 3.468 -4.586 0.000) 5.749 11.135 ( 3.468 4.586 0.000) 5.749 11.145 ( 3.826 -4.740 0.000) 6.092 11.145 ( 3.826 4.740 0.000) 6.092 11.732 ( -1.709 -2.311 0.000) 2.875 11.732 ( -1.709 2.311 0.000) 2.875 11.767 ( -2.391 -2.663 0.000) 3.579 11.767 ( -2.391 2.663 0.000) 3.579 12.659 ( 6.985 -7.384 0.000) 10.165 12.659 ( 6.986 7.384 0.000) 10.165 12.679 ( 6.411 -6.015 0.000) 8.792 12.679 ( 6.411 6.015 0.000) 8.792 14.279 ( 0.982 -22.812 0.000) 22.833 14.279 ( 0.982 22.812 0.000) 22.833 14.763 ( -14.794 -4.470 0.000) 15.454 14.763 ( -14.794 4.470 0.000) 15.454 22.556 ( 5.153 -6.689 0.000) 8.444 22.556 ( 5.153 6.689 0.000) 8.444 22.915 ( -6.422 -3.344 0.000) 7.240 22.915 ( -6.422 3.344 0.000) 7.240 23.124 ( 3.015 -11.761 0.000) 12.141 23.124 ( 3.015 11.761 0.000) 12.141 23.238 ( -0.730 -6.188 0.000) 6.231 23.238 ( -0.730 6.188 0.000) 6.231 24.096 ( 4.243 -4.799 0.000) 6.406 24.096 ( 4.243 4.799 0.000) 6.406 24.369 ( -4.257 -7.957 0.000) 9.024 24.369 ( -4.257 7.957 0.000) 9.024 25.704 ( 5.635 -4.832 0.000) 7.423 25.704 ( 5.635 4.832 0.000) 7.423 26.061 ( -5.488 -11.000 0.000) 12.293 26.061 ( -5.488 11.000 0.000) 12.293 30.593 ( 1.077 -6.645 0.000) 6.731 30.593 ( 1.077 6.645 0.000) 6.731 30.659 ( -0.866 -1.900 0.000) 2.088 30.659 ( -0.866 1.900 0.000) 2.088 30.776 ( 2.448 -11.596 0.000) 11.851 30.776 ( 2.448 11.596 0.000) 11.851 30.829 ( 0.849 -3.866 0.000) 3.958 30.829 ( 0.849 3.866 0.000) 3.958 88.891 ( -0.345 -2.144 0.000) 2.172 88.891 ( -0.345 2.144 0.000) 2.172 88.892 ( -0.153 -1.410 0.000) 1.418 88.892 ( -0.153 1.410 0.000) 1.418 89.803 ( 8.445 -7.126 0.000) 11.050 89.803 ( 8.445 7.126 0.000) 11.050 90.448 ( -12.051 -29.110 0.000) 31.506 90.448 ( -12.051 29.110 0.000) 31.506 ======================= Grid point 44 (25/75) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.436 -8.402 0.000) 8.413 1.214 ( 0.436 8.402 0.000) 8.413 1.287 ( -6.783 -0.439 0.000) 6.797 1.287 ( -6.783 0.439 0.000) 6.797 2.054 ( 8.446 -12.298 0.000) 14.919 2.054 ( 8.446 12.298 0.000) 14.919 2.212 ( -7.617 -10.895 0.000) 13.294 2.212 ( -7.617 10.895 0.000) 13.294 3.098 ( 2.690 -5.330 0.000) 5.970 3.098 ( 2.690 5.330 0.000) 5.970 3.105 ( 1.984 -2.096 0.000) 2.886 3.105 ( 1.984 2.096 0.000) 2.886 3.981 ( 6.450 -2.091 0.000) 6.780 3.981 ( 6.450 2.091 0.000) 6.780 4.098 ( -5.967 -2.935 0.000) 6.649 4.098 ( -5.967 2.935 0.000) 6.649 4.527 ( 4.860 -4.338 0.000) 6.514 4.527 ( 4.860 4.338 0.000) 6.514 4.642 ( -6.326 -3.255 0.000) 7.114 4.642 ( -6.326 3.255 0.000) 7.114 5.601 ( 5.115 -1.711 0.000) 5.394 5.601 ( 5.115 1.711 0.000) 5.394 5.667 ( 0.028 -6.490 0.000) 6.490 5.667 ( 0.028 6.490 0.000) 6.490 5.983 ( 2.322 -4.308 0.000) 4.894 5.983 ( 2.322 4.308 0.000) 4.894 6.100 ( -7.866 -4.308 0.000) 8.968 6.100 ( -7.866 4.308 0.000) 8.968 6.542 ( 0.661 -2.096 0.000) 2.198 6.542 ( 0.661 2.096 0.000) 2.198 6.562 ( -1.328 -2.971 0.000) 3.254 6.562 ( -1.328 2.971 0.000) 3.254 7.175 ( 3.457 -2.351 0.000) 4.180 7.175 ( 3.457 2.351 0.000) 4.180 7.247 ( -3.766 -1.756 0.000) 4.156 7.247 ( -3.766 1.756 0.000) 4.156 11.188 ( 1.722 -2.109 0.000) 2.723 11.188 ( 1.722 2.109 0.000) 2.723 11.195 ( 1.122 -1.679 0.000) 2.019 11.195 ( 1.122 1.679 0.000) 2.019 11.715 ( -0.054 -2.237 0.000) 2.238 11.715 ( -0.054 2.237 0.000) 2.238 11.729 ( -1.458 -2.136 0.000) 2.586 11.729 ( -1.458 2.136 0.000) 2.586 12.763 ( 3.243 -4.110 0.000) 5.236 12.763 ( 3.243 4.110 0.000) 5.236 12.771 ( 2.504 -1.419 0.000) 2.878 12.771 ( 2.504 1.419 0.000) 2.878 14.338 ( 5.557 -16.716 0.000) 17.615 14.338 ( 5.557 16.716 0.000) 17.615 14.503 ( -11.478 -9.019 0.000) 14.597 14.503 ( -11.478 9.019 0.000) 14.597 22.665 ( 6.080 -6.095 0.000) 8.609 22.665 ( 6.080 6.095 0.000) 8.609 22.788 ( -6.563 -4.914 0.000) 8.199 22.788 ( -6.563 4.914 0.000) 8.199 23.177 ( 2.426 -10.790 0.000) 11.059 23.177 ( 2.426 10.790 0.000) 11.059 23.216 ( -1.574 -8.695 0.000) 8.836 23.216 ( -1.574 8.695 0.000) 8.836 24.185 ( 4.879 -5.062 0.000) 7.031 24.185 ( 4.879 5.062 0.000) 7.031 24.280 ( -4.879 -6.185 0.000) 7.878 24.280 ( -4.879 6.185 0.000) 7.878 25.821 ( 6.385 -6.875 0.000) 9.383 25.821 ( 6.385 6.875 0.000) 9.383 25.945 ( -6.339 -8.930 0.000) 10.951 25.945 ( -6.339 8.930 0.000) 10.951 30.616 ( 1.250 -5.212 0.000) 5.360 30.616 ( 1.250 5.212 0.000) 5.360 30.640 ( -1.142 -3.480 0.000) 3.663 30.640 ( -1.142 3.480 0.000) 3.663 30.816 ( 1.616 -9.218 0.000) 9.359 30.816 ( 1.616 9.218 0.000) 9.359 30.835 ( -0.328 -6.459 0.000) 6.467 30.835 ( -0.328 6.459 0.000) 6.467 88.888 ( -0.028 -2.103 0.000) 2.103 88.888 ( -0.028 2.103 0.000) 2.103 88.889 ( -0.105 -1.844 0.000) 1.847 88.889 ( -0.105 1.844 0.000) 1.847 89.989 ( 10.719 -12.600 0.000) 16.543 89.989 ( 10.719 12.600 0.000) 16.543 90.211 ( -12.129 -20.165 0.000) 23.532 90.211 ( -12.129 20.165 0.000) 23.532 ======================= Grid point 81 (26/75) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 0.000 17.110) 17.110 0.393 ( 0.000 0.000 18.409) 18.409 0.871 ( 0.000 0.000 41.206) 41.206 1.181 ( 0.000 0.000 -6.994) 6.994 1.244 ( 0.000 0.000 -7.096) 7.096 2.184 ( 0.000 0.000 1.905) 1.905 2.432 ( 0.000 0.000 -3.259) 3.259 2.687 ( 0.000 0.000 12.860) 12.860 2.721 ( 0.000 0.000 -9.202) 9.202 3.079 ( 0.000 0.000 -2.297) 2.297 3.251 ( 0.000 0.000 3.736) 3.736 3.451 ( 0.000 0.000 -3.799) 3.799 3.601 ( 0.000 0.000 -3.627) 3.627 3.667 ( 0.000 0.000 -1.301) 1.301 4.192 ( 0.000 0.000 10.865) 10.865 4.196 ( 0.000 0.000 -10.476) 10.476 4.320 ( 0.000 0.000 -5.885) 5.885 4.853 ( 0.000 0.000 -1.854) 1.854 4.901 ( 0.000 0.000 5.086) 5.086 4.919 ( 0.000 0.000 -5.815) 5.815 5.029 ( 0.000 0.000 4.427) 4.427 5.086 ( 0.000 0.000 -9.529) 9.529 5.303 ( 0.000 0.000 9.415) 9.415 5.464 ( 0.000 0.000 3.008) 3.008 5.972 ( 0.000 0.000 2.575) 2.575 6.081 ( 0.000 0.000 0.147) 0.147 6.242 ( 0.000 0.000 -0.230) 0.230 6.270 ( 0.000 0.000 -0.946) 0.946 6.571 ( 0.000 0.000 1.751) 1.751 6.631 ( 0.000 0.000 -1.463) 1.463 6.951 ( 0.000 0.000 -0.137) 0.137 6.952 ( 0.000 0.000 3.659) 3.659 7.130 ( 0.000 0.000 -3.136) 3.136 7.256 ( 0.000 0.000 1.674) 1.674 7.293 ( 0.000 0.000 0.359) 0.359 7.394 ( 0.000 0.000 -5.494) 5.494 10.730 ( 0.000 0.000 0.497) 0.497 10.753 ( 0.000 0.000 0.133) 0.133 11.122 ( 0.000 0.000 -2.786) 2.786 11.138 ( 0.000 0.000 -2.234) 2.234 11.182 ( 0.000 0.000 0.980) 0.980 11.328 ( 0.000 0.000 -2.320) 2.320 11.583 ( 0.000 0.000 1.312) 1.312 11.762 ( 0.000 0.000 -0.859) 0.859 12.042 ( 0.000 0.000 3.673) 3.673 12.044 ( 0.000 0.000 3.060) 3.060 12.661 ( 0.000 0.000 -0.113) 0.113 12.690 ( 0.000 0.000 -0.620) 0.620 12.723 ( 0.000 0.000 -0.440) 0.440 12.933 ( 0.000 0.000 -5.277) 5.277 15.359 ( 0.000 0.000 1.792) 1.792 15.458 ( 0.000 0.000 -0.521) 0.521 22.005 ( 0.000 0.000 1.564) 1.564 22.125 ( 0.000 0.000 -0.881) 0.881 22.931 ( 0.000 0.000 1.374) 1.374 22.941 ( 0.000 0.000 0.293) 0.293 22.972 ( 0.000 0.000 -0.512) 0.512 23.104 ( 0.000 0.000 -2.982) 2.982 23.510 ( 0.000 0.000 0.454) 0.454 23.536 ( 0.000 0.000 -0.543) 0.543 23.766 ( 0.000 0.000 12.266) 12.266 24.042 ( 0.000 0.000 3.457) 3.457 24.266 ( 0.000 0.000 -1.526) 1.526 25.244 ( 0.000 0.000 -26.560) 26.560 25.407 ( 0.000 0.000 0.407) 0.407 25.426 ( 0.000 0.000 -0.097) 0.097 27.208 ( 0.000 0.000 26.413) 26.413 28.674 ( 0.000 0.000 -12.371) 12.371 29.800 ( 0.000 0.000 1.364) 1.364 29.882 ( 0.000 0.000 -0.653) 0.653 30.624 ( 0.000 0.000 0.136) 0.136 30.642 ( 0.000 0.000 -0.276) 0.276 30.828 ( 0.000 0.000 0.085) 0.085 30.831 ( 0.000 0.000 0.518) 0.518 30.878 ( 0.000 0.000 3.142) 3.142 31.194 ( 0.000 0.000 -3.349) 3.349 88.905 ( 0.000 0.000 1.237) 1.237 88.985 ( 0.000 0.000 0.703) 0.703 88.998 ( 0.000 0.000 -0.828) 0.828 89.033 ( 0.000 0.000 -0.342) 0.342 89.185 ( 0.000 0.000 2.467) 2.467 89.413 ( 0.000 0.000 -2.550) 2.550 94.445 ( 0.000 0.000 0.050) 0.050 94.458 ( 0.000 0.000 -0.240) 0.240 ======================= Grid point 82 (27/75) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 16.264 0.000 11.256) 19.779 0.655 ( 21.378 0.000 10.215) 23.693 0.977 ( 10.457 0.000 35.050) 36.577 1.260 ( 7.672 0.000 -6.658) 10.158 1.293 ( 7.749 0.000 -3.775) 8.620 2.136 ( -4.477 0.000 3.231) 5.521 2.451 ( 1.777 0.000 -3.683) 4.089 2.716 ( -0.615 0.000 -7.862) 7.886 2.718 ( 3.719 0.000 9.211) 9.934 3.020 ( -5.847 0.000 -2.809) 6.487 3.173 ( -7.625 0.000 2.720) 8.096 3.335 ( -8.859 0.000 0.230) 8.862 3.611 ( -0.074 0.000 -4.319) 4.320 3.674 ( 0.465 0.000 -0.356) 0.585 4.099 ( -4.089 0.000 -1.389) 4.319 4.261 ( -5.058 0.000 -5.889) 7.763 4.300 ( 5.121 0.000 1.759) 5.415 4.811 ( -4.861 0.000 4.038) 6.319 4.845 ( -4.709 0.000 1.050) 4.825 4.916 ( -0.673 0.000 -3.989) 4.045 5.047 ( 1.734 0.000 2.941) 3.414 5.206 ( 7.319 0.000 -13.914) 15.721 5.312 ( 1.375 0.000 8.552) 8.662 5.553 ( 8.373 0.000 3.984) 9.273 5.910 ( -4.828 0.000 0.722) 4.882 6.112 ( 1.532 0.000 -2.049) 2.559 6.206 ( -1.057 0.000 1.605) 1.921 6.304 ( 4.300 0.000 -1.431) 4.531 6.688 ( 4.689 0.000 -0.636) 4.732 6.718 ( 8.808 0.000 -3.073) 9.329 6.896 ( -4.730 0.000 1.839) 5.075 6.928 ( -2.585 0.000 -1.149) 2.828 7.144 ( 0.687 0.000 -1.322) 1.490 7.180 ( -7.864 0.000 2.698) 8.314 7.254 ( -0.196 0.000 1.191) 1.207 7.319 ( -3.060 0.000 2.556) 3.987 10.743 ( 2.377 0.000 -0.531) 2.436 10.758 ( 0.989 0.000 -0.350) 1.049 11.165 ( -1.581 0.000 0.995) 1.868 11.224 ( 9.287 0.000 -1.798) 9.460 11.311 ( -1.594 0.000 -2.191) 2.710 11.589 ( 1.220 0.000 0.520) 1.326 11.731 ( 18.452 0.000 -21.884) 28.625 11.766 ( 0.366 0.000 -0.958) 1.025 12.060 ( 2.146 0.000 2.558) 3.339 12.072 ( 2.876 0.000 3.441) 4.484 12.676 ( -1.446 0.000 -0.562) 1.551 12.736 ( 8.091 0.000 1.027) 8.155 12.893 ( -1.558 0.000 -4.682) 4.934 13.477 ( 56.420 0.000 -53.972) 78.078 15.324 ( -3.944 0.000 2.276) 4.554 15.473 ( 0.778 0.000 -0.910) 1.197 22.037 ( 3.235 0.000 1.416) 3.531 22.142 ( 1.800 0.000 -0.714) 1.936 22.904 ( -3.443 0.000 0.138) 3.446 22.924 ( -4.196 0.000 0.070) 4.196 22.940 ( 0.601 0.000 1.782) 1.881 23.280 ( 10.891 0.000 -16.133) 19.465 23.514 ( -2.197 0.000 -0.007) 2.197 23.564 ( 5.351 0.000 -2.660) 5.976 23.789 ( 3.198 0.000 10.123) 10.616 24.060 ( 1.877 0.000 3.816) 4.253 24.274 ( 0.879 0.000 -1.885) 2.080 25.157 ( -6.844 0.000 -18.842) 20.046 25.423 ( 1.637 0.000 0.741) 1.797 25.530 ( 8.447 0.000 -6.108) 10.424 27.136 ( -7.204 0.000 23.042) 24.142 27.591 ( -69.537 0.000 51.684) 86.641 29.814 ( 2.060 0.000 0.914) 2.253 29.898 ( 1.723 0.000 -0.732) 1.872 30.574 ( -5.351 0.000 0.124) 5.353 30.577 ( -4.202 0.000 -0.054) 4.202 30.856 ( 2.247 0.000 1.349) 2.621 30.897 ( 5.679 0.000 -0.347) 5.690 30.909 ( 2.773 0.000 2.806) 3.945 31.370 ( 7.404 0.000 -11.885) 14.003 88.846 ( -3.074 0.000 1.524) 3.431 88.983 ( -1.210 0.000 -1.211) 1.712 89.031 ( -0.381 0.000 0.438) 0.580 89.051 ( 3.992 0.000 -0.228) 3.999 89.185 ( -0.010 0.000 2.757) 2.757 89.455 ( 4.636 0.000 -3.201) 5.634 92.130 (-132.535 0.000 122.740) 180.640 94.123 ( -32.012 0.000 -3.843) 32.242 ======================= Grid point 83 (28/75) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 16.133 0.000 12.397) 20.346 1.098 ( 23.361 0.000 4.973) 23.885 1.254 ( 17.537 0.000 19.794) 26.446 1.452 ( 11.652 0.000 -5.651) 12.950 1.536 ( 16.086 0.000 -3.055) 16.374 2.027 ( -6.610 0.000 5.606) 8.667 2.488 ( 1.550 0.000 -5.030) 5.263 2.691 ( -2.313 0.000 -2.765) 3.605 2.787 ( 1.688 0.000 2.328) 2.876 2.869 ( -9.081 0.000 -5.765) 10.756 2.981 ( -11.646 0.000 1.189) 11.707 3.126 ( -12.721 0.000 0.291) 12.724 3.620 ( 1.996 0.000 -1.715) 2.632 3.684 ( 0.826 0.000 0.208) 0.852 4.032 ( -3.176 0.000 -1.014) 3.334 4.165 ( -4.216 0.000 -5.639) 7.040 4.391 ( 4.505 0.000 1.703) 4.817 4.694 ( -7.554 0.000 6.424) 9.916 4.707 ( -8.366 0.000 -0.254) 8.370 4.873 ( -3.879 0.000 -0.317) 3.892 5.099 ( 3.738 0.000 1.053) 3.884 5.333 ( 5.831 0.000 -10.398) 11.921 5.357 ( 2.674 0.000 5.369) 5.998 5.759 ( 11.893 0.000 4.378) 12.673 5.806 ( -5.164 0.000 -2.096) 5.573 6.091 ( -1.158 0.000 -2.382) 2.648 6.279 ( 6.309 0.000 2.692) 6.859 6.418 ( 6.787 0.000 -2.494) 7.231 6.735 ( -2.502 0.000 -1.404) 2.869 6.827 ( -1.251 0.000 -1.622) 2.049 6.838 ( 1.354 0.000 1.868) 2.308 6.868 ( 0.644 0.000 -2.425) 2.509 7.085 ( -2.611 0.000 3.233) 4.156 7.139 ( -1.248 0.000 -0.082) 1.250 7.245 ( -0.928 0.000 0.433) 1.024 7.252 ( -4.016 0.000 2.423) 4.691 10.801 ( 3.439 0.000 -0.690) 3.507 10.811 ( 4.536 0.000 -0.915) 4.628 11.127 ( -2.200 0.000 0.998) 2.416 11.267 ( -2.864 0.000 -1.987) 3.486 11.427 ( 10.526 0.000 -1.344) 10.611 11.614 ( 1.559 0.000 0.493) 1.635 11.773 ( 0.139 0.000 -1.239) 1.247 11.859 ( 0.182 0.000 -8.423) 8.425 12.142 ( 6.041 0.000 -0.088) 6.042 12.146 ( 4.606 0.000 2.732) 5.355 12.634 ( -2.858 0.000 -0.377) 2.883 12.836 ( -4.179 0.000 -3.935) 5.740 12.985 ( 17.836 0.000 4.098) 18.301 14.284 ( 27.789 0.000 -50.160) 57.344 15.190 ( -10.336 0.000 3.508) 10.915 15.455 ( -3.141 0.000 -0.976) 3.289 22.125 ( 5.777 0.000 1.005) 5.864 22.194 ( 3.530 0.000 -0.327) 3.545 22.810 ( -5.965 0.000 -0.035) 5.965 22.817 ( -6.634 0.000 -0.134) 6.635 22.961 ( 1.680 0.000 2.612) 3.106 23.409 ( 3.824 0.000 -11.195) 11.830 23.451 ( -4.400 0.000 1.320) 4.594 23.635 ( 0.772 0.000 -1.649) 1.821 23.916 ( 8.545 0.000 -3.752) 9.332 24.110 ( 3.102 0.000 3.780) 4.890 24.307 ( 2.740 0.000 -2.774) 3.899 25.010 ( -8.281 0.000 -13.481) 15.821 25.468 ( 2.945 0.000 2.238) 3.699 25.718 ( 10.860 0.000 -7.182) 13.020 26.586 ( -36.153 0.000 50.822) 62.370 26.949 ( -11.568 0.000 15.205) 19.106 29.876 ( 4.205 0.000 0.536) 4.239 29.948 ( 3.463 0.000 -0.832) 3.561 30.462 ( -6.111 0.000 0.179) 6.114 30.481 ( -5.532 0.000 -0.311) 5.541 30.909 ( 3.029 0.000 2.359) 3.839 30.967 ( 2.878 0.000 2.574) 3.861 31.017 ( 6.517 0.000 -0.993) 6.592 31.431 ( 0.287 0.000 -8.410) 8.415 88.826 ( 1.165 0.000 1.059) 1.574 88.960 ( -1.063 0.000 -0.971) 1.440 89.014 ( -1.287 0.000 1.364) 1.875 89.110 ( 1.988 0.000 -1.386) 2.423 89.188 ( 0.491 0.000 3.967) 3.997 89.609 ( 11.915 0.000 -5.184) 12.994 90.468 ( -51.078 0.000 88.778) 102.423 93.299 ( -50.514 0.000 -10.950) 51.687 ======================= Grid point 84 (29/75) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 14.284 0.000 14.785) 20.558 1.536 ( 21.700 0.000 2.681) 21.865 1.615 ( 17.999 0.000 8.368) 19.849 1.697 ( 13.413 0.000 -3.758) 13.929 1.872 ( 16.299 0.000 -2.299) 16.460 1.892 ( -4.711 0.000 7.489) 8.847 2.467 ( -5.822 0.000 -4.749) 7.513 2.594 ( -8.578 0.000 1.853) 8.776 2.713 ( -6.431 0.000 -4.495) 7.846 2.730 ( -8.344 0.000 -2.876) 8.826 2.773 ( -6.923 0.000 -5.713) 8.976 2.857 ( -14.442 0.000 -0.081) 14.442 3.716 ( 7.877 0.000 -0.134) 7.878 3.716 ( 2.687 0.000 -0.115) 2.689 3.964 ( -4.044 0.000 0.031) 4.044 4.109 ( -1.757 0.000 -5.874) 6.131 4.479 ( 4.686 0.000 1.245) 4.849 4.512 ( -9.428 0.000 2.848) 9.849 4.566 ( -7.135 0.000 6.485) 9.642 4.779 ( -5.394 0.000 1.596) 5.625 5.184 ( 4.779 0.000 0.355) 4.793 5.385 ( -0.268 0.000 2.196) 2.213 5.430 ( 4.348 0.000 -7.166) 8.382 5.691 ( -5.658 0.000 -1.758) 5.925 6.019 ( 13.549 0.000 1.027) 13.588 6.118 ( 3.964 0.000 -0.868) 4.058 6.382 ( 2.771 0.000 3.912) 4.794 6.532 ( 3.402 0.000 -1.451) 3.698 6.670 ( -1.411 0.000 -4.113) 4.348 6.738 ( -3.622 0.000 -4.833) 6.039 6.879 ( 0.751 0.000 3.390) 3.473 6.913 ( 0.831 0.000 1.452) 1.673 7.056 ( -0.606 0.000 1.989) 2.079 7.110 ( -1.044 0.000 -0.547) 1.179 7.170 ( -4.147 0.000 2.064) 4.633 7.216 ( -2.038 0.000 0.449) 2.086 10.882 ( 4.594 0.000 -0.632) 4.637 10.910 ( 5.523 0.000 -1.023) 5.617 11.084 ( -2.274 0.000 0.740) 2.391 11.202 ( -3.872 0.000 -1.664) 4.214 11.599 ( 6.881 0.000 -2.009) 7.168 11.650 ( 2.211 0.000 -0.320) 2.234 11.768 ( -0.692 0.000 -1.688) 1.825 11.825 ( -2.906 0.000 -4.199) 5.106 12.246 ( 5.683 0.000 1.750) 5.946 12.279 ( 7.930 0.000 -1.341) 8.042 12.566 ( -4.214 0.000 -0.111) 4.215 12.735 ( -6.224 0.000 -3.218) 7.006 13.415 ( 25.998 0.000 7.027) 26.931 14.683 ( 15.990 0.000 -31.243) 35.097 14.913 ( -18.480 0.000 5.121) 19.177 15.350 ( -7.511 0.000 -2.963) 8.075 22.252 ( 7.144 0.000 0.451) 7.158 22.278 ( 5.144 0.000 0.019) 5.144 22.677 ( -7.689 0.000 -0.144) 7.690 22.682 ( -7.152 0.000 -0.157) 7.154 23.010 ( 3.495 0.000 3.491) 4.940 23.347 ( -6.177 0.000 2.755) 6.763 23.468 ( 2.726 0.000 -6.622) 7.161 23.618 ( -1.890 0.000 0.276) 1.910 24.059 ( 5.876 0.000 -6.019) 8.412 24.166 ( 2.233 0.000 1.744) 2.834 24.384 ( 5.244 0.000 -3.867) 6.515 24.841 ( -9.073 0.000 -9.648) 13.244 25.537 ( 4.304 0.000 5.716) 7.155 25.944 ( 12.362 0.000 -5.771) 13.643 26.078 ( -18.775 0.000 33.615) 38.503 26.707 ( -13.151 0.000 7.051) 14.922 29.972 ( 5.624 0.000 0.373) 5.637 30.030 ( 4.921 0.000 -0.822) 4.989 30.341 ( -6.417 0.000 0.190) 6.420 30.369 ( -6.004 0.000 -0.491) 6.024 30.967 ( 2.770 0.000 2.806) 3.943 31.012 ( 1.646 0.000 2.573) 3.054 31.141 ( 6.222 0.000 -1.833) 6.486 31.408 ( -2.397 0.000 -5.814) 6.289 88.887 ( 4.930 0.000 1.731) 5.225 88.945 ( -0.479 0.000 0.027) 0.479 88.985 ( -1.595 0.000 1.811) 2.413 89.123 ( -0.623 0.000 -1.618) 1.734 89.212 ( 2.143 0.000 6.137) 6.501 89.794 ( -23.827 0.000 51.291) 56.555 89.938 ( 22.623 0.000 -8.204) 24.065 92.272 ( -53.666 0.000 -14.851) 55.683 ======================= Grid point 85 (30/75) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 12.643 0.000 13.947) 18.825 1.659 ( -9.724 0.000 11.478) 15.043 1.919 ( 16.648 0.000 0.859) 16.670 1.962 ( 13.292 0.000 0.220) 13.294 2.044 ( 17.546 0.000 2.351) 17.703 2.187 ( 11.202 0.000 -1.972) 11.375 2.271 ( -11.186 0.000 -2.891) 11.554 2.344 ( -15.179 0.000 -0.441) 15.185 2.495 ( -11.353 0.000 -2.289) 11.581 2.590 ( -13.418 0.000 -2.975) 13.744 2.672 ( 0.832 0.000 -4.284) 4.364 2.703 ( -2.200 0.000 -7.543) 7.857 3.786 ( 4.366 0.000 -0.184) 4.370 3.877 ( -4.812 0.000 0.128) 4.813 3.897 ( 9.948 0.000 -2.650) 10.295 4.056 ( -5.322 0.000 -6.443) 8.357 4.387 ( -1.906 0.000 6.916) 7.174 4.437 ( -5.674 0.000 7.344) 9.281 4.573 ( 5.055 0.000 1.532) 5.282 4.674 ( -5.378 0.000 1.917) 5.709 5.275 ( 4.433 0.000 0.179) 4.437 5.349 ( -3.113 0.000 0.588) 3.168 5.509 ( 3.960 0.000 -4.864) 6.272 5.591 ( -4.683 0.000 -3.124) 5.630 6.226 ( 6.627 0.000 0.281) 6.633 6.269 ( 12.023 0.000 -0.658) 12.041 6.348 ( -5.257 0.000 2.214) 5.704 6.471 ( -8.379 0.000 -1.350) 8.487 6.723 ( 5.770 0.000 -2.050) 6.123 6.770 ( 5.414 0.000 -3.065) 6.222 6.836 ( -4.902 0.000 1.586) 5.152 6.875 ( -4.470 0.000 0.395) 4.487 7.065 ( 1.456 0.000 1.875) 2.374 7.104 ( -2.604 0.000 2.222) 3.423 7.120 ( 1.996 0.000 0.118) 1.999 7.169 ( -2.672 0.000 0.713) 2.766 10.968 ( 4.089 0.000 -0.286) 4.099 11.018 ( 5.490 0.000 -1.108) 5.601 11.035 ( -2.911 0.000 0.245) 2.921 11.118 ( -4.799 0.000 -1.322) 4.978 11.696 ( 3.485 0.000 -2.352) 4.204 11.700 ( 2.949 0.000 -1.369) 3.251 11.745 ( -1.756 0.000 -2.148) 2.775 11.762 ( -3.399 0.000 -2.531) 4.238 12.360 ( 6.038 0.000 0.835) 6.095 12.439 ( 8.459 0.000 -1.976) 8.687 12.472 ( -5.402 0.000 0.244) 5.407 12.598 ( -7.791 0.000 -2.559) 8.200 13.953 ( 28.627 0.000 7.792) 29.669 14.484 ( -25.513 0.000 6.777) 26.398 14.953 ( 12.510 0.000 -17.895) 21.834 15.175 ( -10.432 0.000 -8.628) 13.537 22.391 ( 6.556 0.000 0.132) 6.557 22.395 ( 7.507 0.000 -0.006) 7.507 22.528 ( -7.531 0.000 0.019) 7.531 22.540 ( -7.485 0.000 -0.190) 7.487 23.098 ( 5.608 0.000 3.972) 6.872 23.220 ( -6.722 0.000 3.724) 7.684 23.521 ( 2.732 0.000 -3.544) 4.474 23.573 ( -2.643 0.000 -1.068) 2.851 24.146 ( 3.284 0.000 -3.159) 4.557 24.184 ( -0.523 0.000 -0.691) 0.866 24.508 ( 7.452 0.000 -5.141) 9.053 24.666 ( -8.816 0.000 -6.933) 11.215 25.640 ( 6.562 0.000 11.668) 13.387 25.803 ( -10.722 0.000 20.599) 23.223 26.191 ( 13.173 0.000 -3.156) 13.546 26.449 ( -13.431 0.000 0.897) 13.461 30.089 ( 6.373 0.000 0.275) 6.379 30.135 ( 5.819 0.000 -0.736) 5.865 30.215 ( -6.565 0.000 0.217) 6.569 30.251 ( -6.128 0.000 -0.623) 6.160 31.011 ( 1.656 0.000 2.828) 3.277 31.027 ( -0.039 0.000 2.686) 2.686 31.254 ( 5.333 0.000 -2.868) 6.055 31.345 ( -4.051 0.000 -4.137) 5.790 88.943 ( 0.329 0.000 1.064) 1.114 88.958 ( -1.162 0.000 1.704) 2.062 88.998 ( 5.890 0.000 2.283) 6.317 89.088 ( -3.108 0.000 -0.199) 3.114 89.279 ( 5.394 0.000 12.664) 13.765 89.450 ( -12.835 0.000 28.285) 31.061 90.495 ( 35.174 0.000 -11.601) 37.038 91.291 ( -46.774 0.000 -14.412) 48.944 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 0.000 22.508 9.634) 24.483 0.729 ( 0.000 22.657 9.537) 24.583 0.968 ( 0.000 9.523 35.837) 37.081 1.256 ( 0.000 4.767 -3.069) 5.669 1.332 ( 0.000 13.201 -6.336) 14.643 2.177 ( 0.000 -0.724 1.536) 1.698 2.387 ( 0.000 -4.192 -2.232) 4.749 2.657 ( 0.000 -0.481 1.380) 1.462 2.785 ( 0.000 3.598 1.890) 4.064 3.028 ( 0.000 -4.493 -3.292) 5.570 3.164 ( 0.000 -8.097 3.893) 8.984 3.342 ( 0.000 -7.308 0.538) 7.328 3.534 ( 0.000 -6.280 -3.587) 7.232 3.761 ( 0.000 7.569 -4.110) 8.613 4.154 ( 0.000 -3.721 9.857) 10.536 4.214 ( 0.000 1.556 -9.467) 9.594 4.343 ( 0.000 2.140 -4.894) 5.341 4.819 ( 0.000 -6.302 -3.743) 7.330 4.865 ( 0.000 -1.564 -2.481) 2.933 4.958 ( 0.000 6.168 5.672) 8.379 4.990 ( 0.000 -6.916 -7.429) 10.150 5.086 ( 0.000 4.646 3.308) 5.703 5.370 ( 0.000 4.049 6.707) 7.835 5.496 ( 0.000 2.578 2.486) 3.581 5.902 ( 0.000 -1.136 0.126) 1.143 6.126 ( 0.000 -4.276 -1.931) 4.692 6.412 ( 0.000 10.577 -0.309) 10.582 6.422 ( 0.000 12.251 -2.897) 12.589 6.588 ( 0.000 1.425 1.015) 1.750 6.632 ( 0.000 0.086 -1.514) 1.516 6.902 ( 0.000 -4.541 0.563) 4.576 6.965 ( 0.000 0.893 1.618) 1.848 7.080 ( 0.000 -4.829 -2.276) 5.338 7.211 ( 0.000 -7.641 1.662) 7.819 7.258 ( 0.000 0.499 0.760) 0.909 7.277 ( 0.000 -1.617 0.271) 1.639 10.747 ( 0.000 1.738 0.009) 1.738 10.778 ( 0.000 2.072 0.478) 2.126 11.099 ( 0.000 -2.056 -2.518) 3.251 11.118 ( 0.000 -1.803 -1.970) 2.670 11.455 ( 0.000 10.782 -1.200) 10.848 11.603 ( 0.000 1.917 0.515) 1.985 11.765 ( 0.000 0.279 -1.203) 1.235 11.793 ( 0.000 14.982 -19.016) 24.209 12.025 ( 0.000 0.615 1.034) 1.203 12.120 ( 0.000 4.076 3.065) 5.099 12.641 ( 0.000 -1.854 0.026) 1.854 12.708 ( 0.000 -1.550 0.077) 1.552 12.967 ( 0.000 8.148 -3.553) 8.889 13.741 ( 0.000 66.968 -64.684) 93.106 15.351 ( 0.000 -0.817 1.077) 1.352 15.399 ( 0.000 -5.805 -0.128) 5.807 22.129 ( 0.000 3.203 -1.607) 3.584 22.247 ( 0.000 15.107 -10.721) 18.525 22.872 ( 0.000 -5.078 2.183) 5.528 22.950 ( 0.000 0.871 0.253) 0.907 22.988 ( 0.000 1.634 -0.418) 1.687 23.108 ( 0.000 -0.121 -3.599) 3.601 23.466 ( 0.000 -3.328 0.811) 3.426 23.524 ( 0.000 -1.876 -0.559) 1.958 23.779 ( 0.000 1.358 11.869) 11.946 24.067 ( 0.000 2.467 2.720) 3.672 24.244 ( 0.000 -2.082 -1.103) 2.356 25.211 ( 0.000 -3.671 -25.078) 25.346 25.434 ( 0.000 0.781 0.433) 0.893 25.468 ( 0.000 5.765 -0.181) 5.768 26.796 ( 0.000 -38.632 46.589) 60.523 27.640 ( 0.000 -41.775 28.448) 50.542 29.896 ( 0.000 8.757 1.953) 8.972 30.228 ( 0.000 11.827 -10.295) 15.681 30.626 ( 0.000 0.409 0.363) 0.547 30.656 ( 0.000 1.108 -0.136) 1.116 30.812 ( 0.000 -1.279 0.262) 1.306 30.823 ( 0.000 -1.145 1.204) 1.662 30.865 ( 0.000 -1.088 2.108) 2.372 31.154 ( 0.000 -3.727 -3.125) 4.864 88.872 ( 0.000 -4.095 2.783) 4.951 88.905 ( 0.000 0.173 1.799) 1.807 89.004 ( 0.000 0.256 1.501) 1.522 89.183 ( 0.000 7.510 -2.757) 8.000 89.242 ( 0.000 5.995 -0.087) 5.995 89.431 ( 0.000 1.695 -2.700) 3.188 92.008 ( 0.000 -122.609 116.090) 168.849 94.046 ( 0.000 -37.063 -3.847) 37.262 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.11 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 1.907 11.647 11.658) 16.589 0.932 ( 9.013 11.436 22.798) 27.052 1.175 ( 18.971 19.505 15.692) 31.410 1.242 ( 2.218 2.306 -4.625) 5.624 1.472 ( 11.199 13.095 -4.729) 17.868 2.136 ( -3.948 -0.120 2.639) 4.750 2.406 ( 1.815 -4.236 -2.689) 5.336 2.668 ( 0.072 -2.148 -1.262) 2.492 2.804 ( 2.072 5.167 3.360) 6.503 2.955 ( -6.548 -6.184 -3.825) 9.786 3.053 ( -10.280 -10.071 3.228) 14.749 3.307 ( -3.514 -2.689 0.790) 4.494 3.549 ( 1.219 -4.760 -3.461) 6.010 3.769 ( 0.514 7.553 -2.819) 8.078 4.071 ( -4.958 -2.272 0.178) 5.457 4.280 ( 0.219 0.808 -1.205) 1.468 4.308 ( 0.842 1.519 -3.661) 4.052 4.824 ( -3.357 -0.461 -0.895) 3.505 4.846 ( -1.344 -3.308 -0.861) 3.673 4.895 ( -4.687 1.254 1.789) 5.171 5.079 ( 7.512 -4.983 -6.442) 11.080 5.101 ( 1.925 3.597 2.246) 4.657 5.394 ( 1.876 4.363 3.906) 6.149 5.557 ( 6.625 0.699 4.339) 7.950 5.889 ( -1.717 -0.390 0.452) 1.817 6.107 ( -1.783 -2.190 -3.001) 4.121 6.299 ( -4.973 7.434 1.089) 9.010 6.392 ( -0.033 6.299 -0.792) 6.349 6.691 ( 3.899 0.012 -0.467) 3.927 6.723 ( 6.288 0.748 -0.013) 6.333 6.883 ( -1.658 -3.889 -0.461) 4.252 6.928 ( -2.857 1.626 -0.410) 3.312 7.085 ( -0.138 -5.196 -0.662) 5.240 7.146 ( -3.735 -1.866 0.501) 4.205 7.263 ( 0.273 0.880 0.621) 1.111 7.290 ( -0.301 -1.946 1.501) 2.476 10.730 ( 0.256 0.893 -0.115) 0.936 10.769 ( 0.423 1.239 -0.557) 1.423 11.176 ( 5.606 -2.118 -1.372) 6.147 11.194 ( 3.879 -0.967 -0.459) 4.024 11.459 ( 0.880 11.080 -1.390) 11.202 11.606 ( 0.328 1.644 -0.020) 1.677 11.733 ( -0.859 1.107 -3.347) 3.629 11.851 ( 2.046 3.135 -10.938) 11.561 12.054 ( 3.409 1.260 0.288) 3.645 12.137 ( 1.781 3.726 2.729) 4.951 12.708 ( 5.540 -1.752 0.307) 5.819 12.751 ( 3.233 1.558 0.984) 3.721 12.964 ( -0.306 7.783 -2.328) 8.130 14.011 ( 21.812 38.071 -63.169) 76.912 15.312 ( -4.300 -1.192 1.367) 4.667 15.410 ( 0.431 -6.097 -0.602) 6.142 22.135 ( 0.900 4.012 -0.839) 4.196 22.232 ( 0.235 11.304 -4.238) 12.074 22.885 ( 0.148 -3.520 1.166) 3.711 22.925 ( -1.982 0.542 0.856) 2.226 22.944 ( -4.160 1.886 -0.167) 4.571 23.250 ( 9.808 -2.726 -13.445) 16.864 23.467 ( -1.007 -3.663 0.344) 3.815 23.547 ( 3.135 -2.235 -1.211) 4.036 23.806 ( 3.309 1.559 9.713) 10.379 24.081 ( 1.374 2.081 3.126) 3.999 24.253 ( 1.029 -1.951 -1.510) 2.673 25.127 ( -6.920 -3.219 -18.199) 19.734 25.478 ( 1.414 4.834 0.206) 5.041 25.530 ( 7.752 0.391 -4.636) 9.041 26.654 ( -14.704 -36.191 49.571) 63.113 27.321 ( -23.751 -16.259 24.843) 38.022 29.910 ( 1.505 8.513 1.629) 8.797 30.113 ( -6.075 12.885 -3.656) 14.707 30.581 ( -4.172 0.894 0.225) 4.273 30.595 ( -4.649 1.394 0.038) 4.853 30.843 ( 2.004 -1.341 1.778) 2.996 30.879 ( 4.972 -1.648 0.425) 5.255 30.897 ( 3.152 -1.072 1.419) 3.619 31.275 ( 7.062 -7.363 -7.255) 12.519 88.837 ( -1.764 -0.698 2.138) 2.858 88.922 ( 0.437 -2.408 1.525) 2.884 89.001 ( -0.302 -0.063 2.173) 2.195 89.198 ( 1.326 7.476 -2.711) 8.063 89.244 ( 0.156 6.093 0.221) 6.099 89.471 ( 4.320 1.378 -3.202) 5.551 91.189 ( -60.096 -61.124 109.910) 139.384 93.755 ( -28.744 -33.788 -6.949) 44.901 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.22 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 16.808 -4.641 7.093) 18.825 1.117 ( 10.501 5.151 23.536) 26.282 1.346 ( 8.718 -3.039 -5.656) 10.827 1.588 ( 21.772 20.437 6.133) 30.485 1.728 ( 14.857 12.514 -3.795) 19.792 2.036 ( -6.122 0.805 4.990) 7.939 2.447 ( 1.950 -3.868 -4.086) 5.955 2.616 ( -6.563 -6.978 2.449) 9.888 2.749 ( -10.635 -7.340 -3.884) 13.493 2.820 ( -9.071 -7.516 -5.421) 12.968 2.907 ( 0.857 3.837 4.127) 5.700 3.203 ( -7.374 3.377 -0.117) 8.111 3.588 ( 3.467 -1.799 -1.724) 4.269 3.774 ( 0.243 7.152 -1.087) 7.238 3.991 ( -3.301 -2.633 -1.292) 4.416 4.217 ( -3.434 3.431 -5.134) 7.066 4.386 ( 4.119 -0.328 1.315) 4.336 4.708 ( -7.974 0.095 -0.994) 8.036 4.746 ( -6.924 4.212 6.652) 10.485 4.835 ( -3.039 -3.726 -0.124) 4.810 5.139 ( 2.973 3.815 0.834) 4.908 5.247 ( 8.114 -4.286 -4.882) 10.395 5.429 ( 1.487 3.414 -0.201) 3.729 5.742 ( 11.916 -1.624 4.050) 12.690 5.822 ( -5.079 1.709 -0.305) 5.368 6.084 ( -0.196 -0.459 -2.336) 2.389 6.272 ( 1.916 0.112 1.896) 2.698 6.441 ( 4.411 1.692 -1.608) 4.990 6.692 ( -3.633 -2.894 -0.572) 4.680 6.806 ( 0.949 -1.830 0.902) 2.250 6.829 ( -2.500 -0.788 -1.195) 2.881 6.907 ( 0.597 -0.080 0.186) 0.630 7.066 ( -1.509 -4.319 0.161) 4.578 7.107 ( -0.473 1.902 -0.574) 2.042 7.257 ( -1.642 0.802 1.244) 2.211 7.266 ( -1.369 0.779 1.095) 1.918 10.779 ( 4.354 -0.590 -0.817) 4.469 10.807 ( 3.542 0.631 -0.874) 3.703 11.200 ( -1.464 4.013 0.507) 4.302 11.261 ( 0.775 -1.056 -0.790) 1.530 11.521 ( 5.706 7.976 -2.054) 10.020 11.618 ( 0.874 0.416 -0.620) 1.149 11.726 ( -0.260 -2.127 -2.040) 2.958 11.855 ( -1.097 -1.042 -6.005) 6.193 12.155 ( 6.587 2.172 -0.429) 6.949 12.193 ( 4.141 3.072 1.615) 5.403 12.718 ( -2.527 5.388 0.167) 5.954 12.856 ( 0.367 0.538 -1.027) 1.216 13.037 ( 13.523 6.759 3.924) 15.619 14.393 ( 16.568 9.165 -45.088) 48.902 15.171 ( -10.613 -1.837 2.289) 11.011 15.386 ( -3.337 -6.610 -0.876) 7.456 22.177 ( 3.502 3.422 0.711) 4.948 22.275 ( 3.861 8.358 -1.585) 9.342 22.831 ( -4.904 1.581 -0.408) 5.168 22.835 ( -6.804 1.761 -0.132) 7.029 22.927 ( 1.668 -2.896 3.073) 4.540 23.375 ( 2.734 -2.969 -8.339) 9.265 23.423 ( -2.353 -2.657 -1.445) 3.832 23.601 ( 1.140 -3.195 -1.394) 3.667 23.921 ( 7.737 0.436 -0.179) 7.751 24.117 ( 2.284 1.021 3.700) 4.467 24.289 ( 2.812 -1.771 -2.482) 4.147 24.976 ( -8.440 -3.341 -12.472) 15.425 25.513 ( 2.274 4.267 1.766) 5.148 25.707 ( 10.273 -0.993 -6.163) 12.021 26.297 ( -19.090 -19.893 43.792) 51.749 26.941 ( -15.892 -4.723 12.886) 20.998 29.957 ( 3.440 7.554 0.993) 8.360 30.064 ( 0.460 9.219 -1.298) 9.321 30.484 ( -5.467 2.083 0.172) 5.853 30.501 ( -5.137 1.868 -0.217) 5.470 30.891 ( 2.827 -1.741 2.598) 4.216 30.947 ( 2.772 -1.797 2.106) 3.918 30.999 ( 6.155 -1.719 -0.902) 6.454 31.355 ( 1.508 -6.739 -6.730) 9.643 88.831 ( 1.359 0.553 1.573) 2.151 88.919 ( -0.470 -2.427 1.120) 2.714 88.991 ( -0.677 -0.534 3.378) 3.487 89.222 ( 0.789 7.736 -3.162) 8.394 89.250 ( 0.623 5.859 1.478) 6.075 89.612 ( 10.725 0.115 -4.029) 11.458 90.247 ( -35.694 -18.005 73.999) 84.108 93.014 ( -45.589 -26.222 -12.359) 54.025 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 18.761 -8.137 5.262) 21.116 1.336 ( 12.147 -1.633 17.963) 21.746 1.551 ( 11.903 -7.833 -4.790) 15.033 1.896 ( -7.061 1.039 7.108) 10.073 1.994 ( 19.773 18.727 1.437) 27.272 2.037 ( 15.223 10.514 -2.064) 18.616 2.389 ( -11.386 -8.161 -0.353) 14.013 2.417 ( -14.120 -11.610 -1.282) 18.325 2.556 ( -1.906 -7.955 -1.281) 8.280 2.728 ( -2.514 -1.137 -8.417) 8.858 2.879 ( -5.037 7.934 -0.215) 9.400 3.022 ( -11.191 8.646 -0.718) 14.160 3.703 ( 8.192 0.157 -0.899) 8.242 3.793 ( 2.103 5.552 -0.547) 5.962 3.940 ( -2.215 -1.662 -0.883) 2.907 4.155 ( -3.239 3.198 -6.009) 7.538 4.438 ( -0.146 -1.928 2.589) 3.231 4.562 ( -5.602 3.353 2.834) 7.118 4.615 ( -5.599 4.003 5.632) 8.893 4.762 ( -4.288 -1.851 1.986) 5.075 5.211 ( 4.315 2.806 -0.012) 5.147 5.371 ( 3.858 -1.015 -1.242) 4.179 5.447 ( 1.081 1.383 -4.093) 4.454 5.711 ( -5.935 1.899 -1.897) 6.513 5.991 ( 13.212 -2.570 2.055) 13.616 6.113 ( 3.443 -0.357 -0.633) 3.518 6.337 ( 3.200 -3.767 3.452) 6.029 6.515 ( 1.565 -1.348 -1.520) 2.564 6.618 ( -2.652 -3.293 -2.430) 4.877 6.724 ( -3.376 -1.909 -4.776) 6.152 6.832 ( -2.116 -4.398 3.653) 6.096 6.903 ( -1.570 -3.103 1.032) 3.628 7.051 ( 0.718 -1.511 0.287) 1.697 7.117 ( 1.204 4.185 -0.143) 4.357 7.208 ( -2.787 2.040 1.442) 3.743 7.237 ( -1.947 1.584 0.684) 2.602 10.878 ( 5.548 0.145 -1.128) 5.663 10.901 ( 5.951 0.451 -0.661) 6.005 11.152 ( -3.198 4.704 0.386) 5.701 11.228 ( -3.466 1.684 -0.797) 3.935 11.631 ( 3.040 1.853 -2.855) 4.564 11.644 ( 3.556 0.488 -1.283) 3.812 11.715 ( -0.930 -3.169 -2.144) 3.938 11.823 ( -2.019 -0.951 -4.015) 4.593 12.279 ( 6.178 3.048 1.343) 7.018 12.315 ( 8.292 3.358 -0.896) 8.991 12.644 ( -4.891 6.399 0.414) 8.065 12.786 ( -5.803 4.277 -1.474) 7.358 13.431 ( 24.777 2.056 7.202) 25.884 14.662 ( 11.140 -1.825 -26.289) 28.610 14.898 ( -16.906 -1.522 1.935) 17.084 15.281 ( -7.358 -6.652 -2.877) 10.328 22.267 ( 5.645 2.229 1.140) 6.175 22.369 ( 5.606 7.510 -1.286) 9.460 22.690 ( -7.971 1.759 0.168) 8.165 22.723 ( -6.022 3.266 -0.746) 6.891 22.978 ( 3.643 -2.915 4.007) 6.150 23.314 ( -5.778 -2.883 2.915) 7.085 23.454 ( 2.755 -1.631 -7.038) 7.732 23.594 ( -1.484 -2.436 -0.387) 2.879 24.057 ( 5.851 -0.209 -3.755) 6.956 24.160 ( 1.821 -0.142 3.018) 3.528 24.365 ( 5.076 -1.879 -3.505) 6.448 24.806 ( -8.973 -3.301 -8.612) 12.867 25.567 ( 3.322 2.878 4.950) 6.620 25.921 ( 11.749 -2.085 -5.241) 13.033 25.982 ( -13.302 -7.730 29.580) 33.342 26.663 ( -13.567 -4.630 5.385) 15.313 30.040 ( 5.025 6.346 0.508) 8.110 30.107 ( 3.530 6.705 -0.913) 7.632 30.375 ( -5.779 3.234 0.117) 6.624 30.398 ( -5.480 2.706 -0.424) 6.126 30.946 ( 2.650 -2.020 2.909) 4.424 30.990 ( 1.554 -2.014 2.299) 3.428 31.116 ( 5.841 -2.385 -1.709) 6.537 31.351 ( -1.559 -5.237 -5.134) 7.498 88.883 ( 3.222 -0.233 2.281) 3.955 88.911 ( -0.296 -1.992 1.570) 2.553 88.985 ( 0.740 0.339 4.451) 4.525 89.219 ( -1.130 7.671 -2.304) 8.089 89.272 ( 1.588 5.430 2.592) 6.223 89.697 ( -16.491 -7.833 42.394) 46.158 89.950 ( 17.861 0.110 -4.893) 18.520 92.083 ( -48.894 -17.504 -15.089) 54.080 ======================= Grid point 94 (35/75) ======================= q-point: ( 0.44 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 13.460 -2.116 9.708) 16.730 1.560 ( 6.441 -8.568 10.708) 15.151 1.748 ( 3.249 -5.894 3.533) 7.601 1.801 ( 4.623 -8.650 0.972) 9.856 2.074 ( -11.806 -12.846 0.080) 17.447 2.137 ( -12.736 -10.683 -1.737) 16.714 2.335 ( 13.653 11.896 -2.588) 18.292 2.373 ( 12.327 13.041 0.135) 17.946 2.561 ( 0.373 -1.713 -6.254) 6.495 2.678 ( -5.533 3.532 -3.142) 7.278 2.737 ( -5.779 8.284 -2.876) 10.502 2.797 ( -10.135 9.886 -0.628) 14.172 3.829 ( 3.720 3.550 -1.247) 5.291 3.888 ( 0.060 0.500 -0.409) 0.649 3.911 ( 6.611 1.366 -3.213) 7.476 4.069 ( -6.467 1.070 -6.709) 9.379 4.399 ( -0.530 1.002 6.784) 6.878 4.455 ( -5.503 2.248 8.393) 10.285 4.606 ( 3.056 2.713 1.541) 4.368 4.679 ( -4.162 0.314 2.187) 4.712 5.296 ( 4.254 2.180 -0.218) 4.785 5.368 ( -2.825 1.771 0.287) 3.347 5.509 ( 4.441 0.092 -4.991) 6.682 5.602 ( -5.235 1.133 -3.237) 6.259 6.205 ( 5.774 -2.008 0.667) 6.149 6.229 ( 9.313 -3.394 0.647) 9.933 6.337 ( -1.829 -1.615 2.027) 3.172 6.453 ( -7.837 -1.752 -1.254) 8.128 6.627 ( 4.676 -6.248 -1.551) 7.957 6.739 ( -2.765 -5.374 0.581) 6.072 6.757 ( 1.173 -4.382 -1.988) 4.953 6.843 ( -4.306 -3.775 -0.724) 5.772 7.091 ( 2.769 1.292 1.384) 3.354 7.136 ( -0.623 3.304 2.165) 3.999 7.164 ( -0.360 2.844 -0.001) 2.866 7.195 ( -2.242 2.272 0.843) 3.301 10.984 ( 5.221 1.615 -0.590) 5.497 11.022 ( 5.916 1.242 -0.557) 6.070 11.081 ( -3.811 3.254 -0.264) 5.018 11.141 ( -5.321 1.939 -0.872) 5.730 11.661 ( 1.432 -1.743 -2.295) 3.218 11.689 ( -1.379 -2.708 -2.587) 3.991 11.725 ( 3.318 0.545 -2.727) 4.330 11.780 ( -2.497 -0.157 -3.222) 4.079 12.406 ( 6.814 4.291 0.965) 8.110 12.484 ( 8.554 4.104 -0.973) 9.537 12.536 ( -5.922 5.627 0.571) 8.189 12.651 ( -7.980 4.645 -1.202) 9.312 13.946 ( 27.524 -0.435 7.546) 28.543 14.457 ( -24.459 -2.372 6.256) 25.358 14.910 ( 10.807 -4.134 -16.796) 20.396 15.112 ( -9.848 -5.991 -8.248) 14.174 22.390 ( 7.035 1.764 1.001) 7.322 22.484 ( 6.141 6.409 -1.261) 8.965 22.535 ( -7.897 1.711 0.612) 8.103 22.604 ( -6.234 4.891 -1.066) 7.995 23.069 ( 5.712 -2.673 4.422) 7.702 23.191 ( -6.637 -2.603 4.043) 8.195 23.506 ( 2.632 -1.562 -4.115) 5.128 23.555 ( -2.381 -1.853 -1.720) 3.473 24.143 ( 3.072 -0.293 -1.772) 3.559 24.176 ( -0.350 -0.504 0.883) 1.075 24.483 ( 7.128 -2.334 -4.524) 8.760 24.636 ( -8.528 -2.898 -6.079) 10.866 25.647 ( 5.171 0.873 10.248) 11.512 25.775 ( -8.363 -2.142 18.168) 20.115 26.158 ( 12.627 -3.138 -3.117) 13.379 26.406 ( -13.052 -4.068 0.241) 13.673 30.146 ( 5.839 5.294 0.239) 7.885 30.190 ( 4.921 5.072 -0.744) 7.106 30.261 ( -5.991 4.310 0.123) 7.381 30.292 ( -5.453 3.765 -0.588) 6.652 30.988 ( 1.618 -2.148 2.819) 3.896 31.005 ( -0.068 -2.140 2.556) 3.334 31.221 ( 4.873 -3.141 -2.665) 6.381 31.302 ( -3.458 -4.061 -3.787) 6.542 88.909 ( 0.168 -1.929 2.542) 3.196 88.913 ( -0.026 -1.687 2.675) 3.163 89.057 ( 6.235 2.713 5.578) 8.795 89.170 ( -4.316 5.907 1.267) 7.425 89.314 ( 3.190 3.831 7.555) 9.051 89.428 ( -9.694 -1.361 23.671) 25.615 90.453 ( 32.417 -4.058 -11.477) 34.628 91.185 ( -42.960 -9.846 -14.269) 46.326 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 12.925 22.513) 25.959 1.160 ( 0.000 23.137 6.206) 23.955 1.320 ( 0.000 21.840 8.269) 23.354 1.448 ( 0.000 12.574 -0.718) 12.595 1.659 ( 0.000 16.253 -4.338) 16.822 2.150 ( 0.000 -2.222 0.024) 2.222 2.272 ( 0.000 -5.989 0.618) 6.021 2.634 ( 0.000 -1.858 -0.120) 1.862 2.796 ( 0.000 -6.148 3.809) 7.232 2.938 ( 0.000 -12.793 3.822) 13.352 2.998 ( 0.000 4.829 -3.463) 5.943 3.179 ( 0.000 -7.707 1.546) 7.861 3.350 ( 0.000 -11.035 -3.563) 11.596 3.934 ( 0.000 8.447 -9.221) 12.505 4.031 ( 0.000 -8.287 7.770) 11.360 4.279 ( 0.000 4.859 -5.868) 7.619 4.411 ( 0.000 4.395 -3.544) 5.646 4.641 ( 0.000 -9.249 -4.663) 10.358 4.834 ( 0.000 -6.152 -4.418) 7.574 4.839 ( 0.000 -3.563 -2.633) 4.430 5.134 ( 0.000 9.850 4.471) 10.818 5.201 ( 0.000 5.965 3.640) 6.988 5.429 ( 0.000 1.445 5.458) 5.646 5.548 ( 0.000 1.895 2.226) 2.923 5.922 ( 0.000 3.321 0.247) 3.330 6.082 ( 0.000 0.392 -1.608) 1.655 6.583 ( 0.000 7.621 1.462) 7.760 6.604 ( 0.000 -1.356 -1.744) 2.209 6.628 ( 0.000 -0.744 -1.279) 1.479 6.634 ( 0.000 6.708 0.942) 6.774 6.782 ( 0.000 -5.740 2.548) 6.280 6.943 ( 0.000 -7.607 -0.732) 7.642 6.972 ( 0.000 -0.272 1.101) 1.134 7.151 ( 0.000 1.119 -3.245) 3.433 7.220 ( 0.000 -3.586 0.494) 3.620 7.279 ( 0.000 1.057 -0.862) 1.364 10.800 ( 0.000 3.056 -0.506) 3.097 10.836 ( 0.000 3.254 0.193) 3.260 11.045 ( 0.000 -2.958 -1.935) 3.535 11.071 ( 0.000 -2.546 -1.637) 3.026 11.660 ( 0.000 3.350 -1.268) 3.582 11.702 ( 0.000 11.207 -0.483) 11.218 11.776 ( 0.000 0.825 -1.802) 1.982 11.912 ( 0.000 0.610 -6.091) 6.122 12.078 ( 0.000 4.816 -1.536) 5.055 12.190 ( 0.000 2.273 -0.063) 2.273 12.583 ( 0.000 -3.757 0.455) 3.784 12.655 ( 0.000 -3.614 1.101) 3.778 13.256 ( 0.000 20.286 3.503) 20.586 14.679 ( 0.000 26.389 -50.454) 56.939 15.207 ( 0.000 -12.829 1.128) 12.878 15.325 ( 0.000 -1.752 -1.264) 2.160 22.200 ( 0.000 4.158 1.006) 4.278 22.545 ( 0.000 12.088 -14.955) 19.230 22.742 ( 0.000 -7.042 3.539) 7.881 22.983 ( 0.000 2.444 0.343) 2.468 23.041 ( 0.000 3.384 -0.688) 3.453 23.084 ( 0.000 -2.385 -4.730) 5.297 23.386 ( 0.000 -4.330 1.305) 4.522 23.453 ( 0.000 -4.762 -0.530) 4.791 23.824 ( 0.000 2.938 10.010) 10.432 24.136 ( 0.000 2.429 0.519) 2.484 24.195 ( 0.000 -0.786 0.641) 1.014 25.066 ( 0.000 -10.514 -17.233) 20.187 25.461 ( 0.000 1.968 1.992) 2.800 25.640 ( 0.000 10.566 -1.424) 10.662 26.086 ( 0.000 -23.877 41.721) 48.071 27.055 ( 0.000 -22.448 10.845) 24.930 30.122 ( 0.000 12.132 2.323) 12.352 30.389 ( 0.000 5.704 -4.364) 7.182 30.641 ( 0.000 1.014 0.892) 1.350 30.685 ( 0.000 1.648 -0.177) 1.658 30.771 ( 0.000 -3.023 1.171) 3.242 30.785 ( 0.000 -2.009 1.713) 2.640 30.838 ( 0.000 -1.507 0.172) 1.517 31.042 ( 0.000 -6.919 -2.446) 7.339 88.834 ( 0.000 0.057 2.937) 2.937 88.922 ( 0.000 1.455 3.826) 4.093 89.003 ( 0.000 -0.015 5.366) 5.366 89.313 ( 0.000 4.906 -2.412) 5.467 89.424 ( 0.000 6.635 -5.415) 8.564 89.513 ( 0.000 11.414 -2.471) 11.678 90.361 ( 0.000 -48.039 74.064) 88.280 93.035 ( 0.000 -56.465 -10.912) 57.510 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.11 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -10.820 21.107 6.576) 24.614 1.158 ( 5.126 11.395 25.104) 28.042 1.373 ( -3.830 9.884 -3.217) 11.077 1.628 ( 19.049 20.834 4.542) 28.593 1.780 ( 9.948 14.921 -3.509) 18.273 2.125 ( -2.681 -1.222 1.056) 3.130 2.286 ( 1.659 -6.527 -0.090) 6.735 2.602 ( -4.414 -4.526 3.285) 7.124 2.774 ( -7.574 -10.154 1.209) 12.725 2.791 ( -7.600 -10.037 -4.115) 13.245 2.972 ( -0.047 6.747 2.788) 7.301 3.213 ( 1.970 -6.459 0.712) 6.791 3.427 ( 6.070 -6.641 -2.529) 9.346 3.938 ( 0.187 7.331 -8.208) 11.007 3.999 ( -2.791 -4.604 4.627) 7.099 4.308 ( 2.198 2.839 -2.327) 4.279 4.362 ( -3.103 2.975 -5.119) 6.685 4.690 ( 2.855 -8.229 -2.608) 9.092 4.798 ( -3.994 -3.051 -2.307) 5.530 4.866 ( 2.055 -4.593 -2.458) 5.600 5.125 ( 0.349 8.578 2.122) 8.843 5.213 ( 1.280 5.928 3.041) 6.785 5.458 ( 2.273 1.658 3.833) 4.755 5.575 ( 3.418 0.709 3.395) 4.870 5.916 ( -0.782 3.252 0.628) 3.403 6.085 ( 0.118 0.721 -2.193) 2.312 6.428 ( -9.068 4.460 -0.138) 10.106 6.512 ( -3.939 4.534 -0.350) 6.016 6.673 ( 0.346 -2.111 -0.310) 2.162 6.739 ( 3.251 -0.730 0.045) 3.332 6.778 ( -0.092 -4.536 2.870) 5.368 6.915 ( -2.931 -4.659 -0.026) 5.504 6.971 ( 0.203 -2.683 0.952) 2.854 7.155 ( 0.739 2.072 -3.944) 4.516 7.243 ( 1.605 -2.278 0.782) 2.894 7.287 ( 0.524 1.124 -0.648) 1.399 10.782 ( -0.570 3.665 -0.519) 3.745 10.817 ( -0.155 3.304 -0.990) 3.453 11.123 ( 5.561 -2.840 -1.332) 6.385 11.142 ( 5.900 -3.566 -0.650) 6.924 11.652 ( -0.672 3.157 -1.340) 3.495 11.695 ( -0.972 8.869 -1.761) 9.095 11.767 ( -0.740 2.560 -1.278) 2.955 11.872 ( -3.232 -0.319 -5.430) 6.327 12.118 ( 4.084 4.766 -1.383) 6.427 12.203 ( 1.650 2.726 0.146) 3.190 12.648 ( 6.020 -3.960 0.685) 7.238 12.724 ( 5.843 -3.538 1.497) 6.993 13.259 ( 0.638 20.507 3.890) 20.883 14.638 ( -3.171 20.795 -43.331) 48.167 15.207 ( -0.916 -12.489 0.513) 12.533 15.282 ( -4.428 -2.687 -1.650) 5.436 22.215 ( 1.531 4.381 1.288) 4.817 22.496 ( -2.386 11.764 -7.895) 14.367 22.776 ( 1.959 -6.059 1.694) 6.590 22.962 ( -2.140 2.748 0.362) 3.502 22.999 ( -3.947 3.196 -0.757) 5.135 23.176 ( 7.402 -4.108 -9.137) 12.456 23.382 ( -0.954 -4.398 1.053) 4.622 23.467 ( 1.692 -5.228 -0.252) 5.501 23.851 ( 2.901 2.737 8.685) 9.557 24.142 ( 0.679 2.472 0.827) 2.693 24.205 ( 1.111 -1.102 0.323) 1.598 25.002 ( -5.943 -9.154 -13.491) 17.353 25.522 ( 5.543 0.601 -0.232) 5.580 25.647 ( 0.733 9.641 -1.078) 9.728 26.044 ( -4.126 -20.301 37.748) 43.059 26.957 ( -9.204 -18.564 9.351) 22.732 30.132 ( 1.038 12.036 1.905) 12.230 30.327 ( -4.537 8.192 -2.697) 9.745 30.610 ( -2.835 1.833 0.569) 3.424 30.631 ( -3.906 1.946 0.055) 4.364 30.797 ( 1.568 -3.166 2.736) 4.469 30.835 ( 4.158 -2.287 0.123) 4.747 30.865 ( 2.749 -1.968 0.245) 3.390 31.104 ( 4.754 -8.879 -3.588) 10.691 88.834 ( 0.158 0.634 2.762) 2.838 88.915 ( -0.587 1.227 3.832) 4.066 88.997 ( -0.598 -0.126 5.568) 5.601 89.331 ( 1.682 5.235 -2.327) 5.971 89.446 ( 1.873 9.717 -5.482) 11.313 89.522 ( 1.414 7.363 -1.912) 7.737 90.177 ( -16.188 -35.750 65.366) 76.242 92.827 ( -20.726 -52.141 -12.216) 57.424 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.22 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 1.531 10.851 6.602) 12.794 1.285 ( 6.742 10.355 20.679) 24.090 1.338 ( 1.446 2.587 -3.371) 4.488 1.939 ( 6.697 5.213 0.321) 8.493 2.009 ( 12.803 11.920 0.068) 17.493 2.081 ( 3.844 8.363 1.344) 9.302 2.329 ( 1.871 -7.473 -2.065) 7.976 2.441 ( -10.983 -7.300 4.014) 13.786 2.509 ( -13.433 -9.871 1.744) 16.760 2.736 ( -1.712 -2.595 -7.536) 8.152 3.020 ( 3.150 5.754 3.601) 7.483 3.222 ( -1.283 -1.872 -0.143) 2.274 3.553 ( 7.203 -1.559 -1.036) 7.442 3.930 ( -1.218 1.339 -4.804) 5.134 3.946 ( -2.105 3.712 0.079) 4.268 4.277 ( -3.429 2.062 -6.090) 7.287 4.387 ( 3.173 0.626 0.652) 3.299 4.703 ( -4.737 -1.533 -0.083) 4.979 4.715 ( -0.451 -5.149 -0.864) 5.240 4.839 ( -4.985 2.247 4.246) 6.923 5.205 ( 7.361 1.690 -3.863) 8.483 5.249 ( 2.488 5.978 1.754) 6.709 5.487 ( 0.491 2.047 0.143) 2.110 5.698 ( 8.887 -2.530 4.179) 10.141 5.880 ( -3.199 3.879 1.035) 5.133 6.087 ( 0.440 1.179 -2.049) 2.405 6.292 ( -4.505 1.405 0.942) 4.812 6.478 ( 0.346 1.795 -1.342) 2.268 6.625 ( -4.146 -3.721 -1.065) 5.672 6.741 ( -3.004 -4.987 -3.004) 6.551 6.771 ( -1.690 -4.373 4.229) 6.314 6.848 ( -3.282 -5.372 1.359) 6.440 6.992 ( 2.172 -0.394 1.126) 2.478 7.177 ( 1.267 2.372 -2.813) 3.891 7.262 ( 0.158 0.422 0.810) 0.927 7.288 ( -0.495 1.181 -0.312) 1.318 10.813 ( 3.785 3.676 -1.078) 5.385 10.848 ( 3.347 3.361 -1.250) 4.905 11.218 ( 3.517 -2.740 -0.584) 4.496 11.229 ( 2.373 -1.496 0.117) 2.807 11.636 ( -0.971 1.754 -2.123) 2.920 11.670 ( -1.013 3.639 -2.792) 4.697 11.748 ( -1.407 4.696 -2.090) 5.329 11.818 ( -2.028 -2.156 -4.672) 5.531 12.228 ( 6.947 4.705 -0.328) 8.397 12.269 ( 5.495 4.761 0.448) 7.284 12.762 ( 3.858 -1.715 0.990) 4.337 12.833 ( 4.719 -2.526 2.085) 5.744 13.311 ( 6.206 19.095 5.458) 20.807 14.598 ( -0.348 9.269 -31.374) 32.716 15.108 ( -10.394 -5.176 0.068) 11.612 15.188 ( -4.612 -11.421 -1.273) 12.383 22.260 ( 3.237 4.761 1.879) 6.056 22.496 ( 2.294 11.500 -4.166) 12.445 22.805 ( 1.084 -4.972 1.647) 5.348 22.886 ( -6.268 2.992 -0.336) 6.954 22.922 ( -2.809 3.562 1.359) 4.736 23.295 ( 3.243 -4.596 -7.062) 9.028 23.346 ( -1.491 -4.446 -1.101) 4.817 23.504 ( 1.488 -5.996 -0.674) 6.214 23.937 ( 5.734 1.281 4.818) 7.598 24.160 ( 1.109 2.560 1.740) 3.288 24.240 ( 2.566 -2.157 -0.630) 3.410 24.863 ( -7.957 -7.588 -8.695) 14.017 25.626 ( 2.946 4.404 0.911) 5.377 25.696 ( 6.241 1.932 -2.604) 7.033 25.942 ( -5.891 -12.562 28.425) 31.630 26.744 ( -11.990 -12.898 5.738) 18.521 30.163 ( 2.195 11.427 1.054) 11.684 30.268 ( -1.134 9.682 -1.310) 9.836 30.544 ( -3.789 3.536 0.144) 5.185 30.554 ( -4.021 3.116 -0.067) 5.088 30.836 ( 2.366 -3.592 3.066) 5.283 30.897 ( 2.352 -2.941 1.072) 3.916 30.948 ( 5.099 -3.167 -0.665) 6.039 31.179 ( 2.602 -9.650 -4.103) 10.804 88.849 ( 1.524 1.122 2.868) 3.436 88.904 ( -0.433 1.052 3.933) 4.094 88.983 ( -0.627 -0.227 6.247) 6.282 89.369 ( 2.127 6.207 -2.538) 7.036 89.463 ( -0.556 14.698 -3.866) 15.208 89.592 ( 4.533 -3.384 5.366) 7.797 89.867 ( -12.109 -15.331 38.643) 43.301 92.286 ( -33.678 -41.403 -14.409) 55.282 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 12.438 -2.244 4.460) 13.403 1.372 ( 5.010 -0.905 1.980) 5.463 1.460 ( 7.706 3.114 10.465) 13.364 1.867 ( -8.152 -6.374 4.287) 11.201 2.055 ( -10.794 -11.477 0.687) 15.770 2.176 ( -9.142 -4.215 -0.082) 10.068 2.313 ( 5.553 2.891 -3.783) 7.315 2.394 ( 9.507 6.993 -0.107) 11.802 2.461 ( 8.085 6.936 -0.119) 10.654 2.720 ( 0.374 1.337 -2.494) 2.854 3.035 ( -2.303 6.566 1.350) 7.088 3.156 ( -5.670 3.750 -0.686) 6.832 3.716 ( 9.581 1.025 -1.050) 9.693 3.908 ( -0.330 -1.275 -1.708) 2.157 3.921 ( -0.666 6.097 -3.129) 6.885 4.201 ( -4.816 0.629 -7.441) 8.886 4.424 ( 0.523 0.832 4.100) 4.216 4.627 ( -3.076 2.025 1.484) 3.970 4.697 ( -1.578 -1.144 1.938) 2.749 4.718 ( -5.784 2.852 6.007) 8.813 5.303 ( 3.359 5.686 -0.510) 6.624 5.359 ( 7.244 0.292 -3.437) 8.024 5.481 ( -0.780 1.811 -1.922) 2.754 5.763 ( -5.576 2.479 -2.911) 6.761 5.924 ( 11.060 -3.090 4.979) 12.516 6.110 ( 1.939 0.332 0.003) 1.967 6.255 ( 0.105 -3.714 2.752) 4.624 6.485 ( -1.467 -1.448 -1.591) 2.604 6.556 ( -2.269 -2.598 -2.068) 4.022 6.653 ( -4.182 -5.776 -4.230) 8.291 6.704 ( -4.744 -6.146 3.010) 8.327 6.794 ( -2.674 -6.546 0.246) 7.075 7.049 ( 3.449 1.271 1.943) 4.158 7.199 ( 1.049 1.955 -0.951) 2.413 7.244 ( -2.051 1.771 1.202) 2.964 7.270 ( -1.233 1.606 -0.135) 2.029 10.913 ( 6.102 3.305 -1.412) 7.082 10.942 ( 6.095 3.374 -0.834) 7.017 11.227 ( -2.352 1.803 0.181) 2.969 11.242 ( -1.115 -0.572 -0.236) 1.275 11.622 ( -0.235 -0.320 -3.142) 3.167 11.665 ( 0.048 -0.482 -2.258) 2.310 11.719 ( -1.024 2.891 -4.442) 5.398 11.786 ( -1.553 -2.331 -4.281) 5.116 12.373 ( 7.963 6.059 1.333) 10.094 12.414 ( 9.050 6.048 0.147) 10.886 12.768 ( -2.754 4.171 1.914) 5.352 12.862 ( -2.296 1.672 1.163) 3.069 13.547 ( 17.922 10.276 6.905) 21.782 14.623 ( 1.467 -1.527 -17.622) 17.749 14.845 ( -15.058 -3.656 -2.268) 15.661 15.077 ( -6.898 -12.718 -2.537) 14.689 22.341 ( 5.179 4.766 2.099) 7.345 22.564 ( 4.228 10.591 -3.539) 11.940 22.747 ( -7.674 3.531 0.274) 8.452 22.794 ( -2.717 1.803 -1.345) 3.527 22.913 ( 2.597 -1.430 5.231) 6.012 23.242 ( -5.343 -3.659 3.027) 7.148 23.392 ( 3.246 -4.365 -7.166) 8.996 23.513 ( -0.526 -5.387 -1.318) 5.571 24.051 ( 5.481 -0.140 2.132) 5.883 24.179 ( 0.629 2.035 2.662) 3.409 24.308 ( 4.479 -3.379 -1.735) 5.873 24.705 ( -8.295 -6.376 -5.577) 11.856 25.655 ( 1.197 5.337 3.834) 6.679 25.830 ( -4.989 -5.353 18.784) 20.159 25.864 ( 9.612 -3.215 -3.404) 10.692 26.512 ( -11.901 -9.471 1.914) 15.330 30.217 ( 3.440 10.003 0.382) 10.585 30.279 ( 1.944 9.344 -0.950) 9.592 30.467 ( -4.221 5.296 -0.054) 6.773 30.476 ( -4.019 4.645 -0.364) 6.153 30.883 ( 2.397 -3.958 3.114) 5.578 30.932 ( 1.214 -3.481 1.686) 4.054 31.044 ( 4.755 -4.437 -1.352) 6.643 31.203 ( -0.020 -8.659 -3.632) 9.390 88.881 ( 1.085 0.375 4.163) 4.318 88.904 ( 0.418 1.325 4.092) 4.322 88.988 ( 2.007 -0.126 7.617) 7.878 89.401 ( -4.571 6.244 0.497) 7.754 89.413 ( -0.193 6.046 6.901) 9.177 89.540 ( -5.397 -1.177 18.664) 19.464 89.926 ( 15.317 -2.425 -6.481) 16.808 91.589 ( -37.047 -28.529 -15.020) 49.112 ======================= Grid point 103 (40/75) ======================= q-point: ( 0.44 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 16.140 -9.427 3.455) 19.008 1.484 ( 2.654 -3.975 6.507) 8.074 1.544 ( 0.053 -10.141 0.240) 10.144 1.675 ( -10.116 -9.217 1.513) 13.768 1.873 ( -2.101 -4.442 5.005) 7.014 1.974 ( -9.499 -0.940 3.867) 10.299 2.440 ( 4.559 -3.285 -6.006) 8.225 2.477 ( 0.920 -1.719 -6.809) 7.082 2.705 ( 12.007 13.052 1.863) 17.832 2.784 ( 6.225 9.774 2.129) 11.782 2.936 ( -6.499 9.080 0.456) 11.175 3.007 ( -9.313 8.789 -0.642) 12.821 3.887 ( 4.914 0.755 -2.272) 5.467 3.914 ( -0.142 2.983 -2.185) 3.700 3.938 ( 5.362 0.942 -4.681) 7.180 4.084 ( -7.243 -0.057 -7.107) 10.147 4.439 ( 2.225 3.049 7.225) 8.151 4.527 ( -6.368 4.211 7.815) 10.925 4.666 ( 0.273 2.360 2.156) 3.209 4.680 ( -0.966 -0.151 2.475) 2.661 5.369 ( 3.345 4.785 -1.054) 5.933 5.423 ( -1.640 3.447 -0.594) 3.864 5.517 ( 5.705 0.799 -5.080) 7.681 5.639 ( -6.601 2.317 -3.673) 7.902 6.133 ( 7.976 -4.792 2.453) 9.623 6.160 ( 2.953 -2.702 2.190) 4.562 6.266 ( 1.678 -5.108 3.255) 6.285 6.395 ( -8.089 -4.048 -0.002) 9.045 6.521 ( 1.191 -3.488 -2.544) 4.478 6.595 ( -5.109 -6.492 0.803) 8.301 6.667 ( 3.067 -4.742 -3.748) 6.778 6.735 ( -3.466 -6.024 -1.968) 7.223 7.119 ( 3.710 1.512 2.210) 4.576 7.189 ( -3.361 1.749 1.798) 4.194 7.220 ( 1.098 1.772 0.058) 2.085 7.244 ( -1.344 2.071 0.167) 2.474 11.036 ( 6.317 3.252 -0.921) 7.164 11.068 ( 6.505 3.005 -0.502) 7.183 11.151 ( -5.089 3.058 -0.379) 5.949 11.183 ( -4.742 1.728 -0.380) 5.061 11.629 ( 0.883 -1.030 -3.273) 3.542 11.652 ( -1.267 -0.895 -2.815) 3.214 11.724 ( 1.288 -0.577 -4.860) 5.061 11.755 ( -1.692 -2.000 -4.505) 5.211 12.530 ( 8.096 7.283 1.868) 11.049 12.596 ( 9.311 6.280 0.535) 11.244 12.675 ( -6.403 6.901 2.071) 9.639 12.763 ( -7.323 5.259 0.873) 9.058 13.957 ( 23.253 2.266 6.340) 24.208 14.401 ( -21.558 -2.407 4.483) 22.150 14.785 ( 6.202 -7.636 -13.711) 16.875 14.930 ( -8.009 -11.306 -7.010) 15.528 22.457 ( 6.728 4.487 1.781) 8.281 22.597 ( -7.637 4.070 1.100) 8.724 22.647 ( 4.175 8.659 -3.074) 10.092 22.725 ( -3.972 6.082 -2.333) 7.630 23.001 ( 5.912 -3.188 5.581) 8.732 23.125 ( -6.541 -3.294 4.524) 8.609 23.448 ( 2.525 -4.191 -4.804) 6.857 23.489 ( -1.779 -4.578 -2.736) 5.622 24.137 ( 3.307 -0.087 1.981) 3.856 24.177 ( -0.961 0.871 2.639) 2.940 24.412 ( 6.327 -4.331 -2.563) 8.085 24.549 ( -7.694 -5.291 -3.693) 10.041 25.686 ( 2.120 2.964 7.039) 7.927 25.742 ( -3.749 -0.381 11.731) 12.322 26.068 ( 11.027 -5.290 -2.781) 12.542 26.286 ( -11.516 -7.237 -0.992) 13.637 30.294 ( 4.351 8.283 0.039) 9.356 30.332 ( 3.298 8.246 -0.833) 8.920 30.381 ( -4.600 6.683 -0.081) 8.114 30.401 ( -3.755 6.623 -0.649) 7.641 30.923 ( 1.602 -4.035 2.795) 5.163 30.941 ( -0.243 -3.855 2.267) 4.479 31.127 ( 3.649 -5.780 -2.094) 7.149 31.182 ( -2.056 -7.219 -2.878) 8.039 88.892 ( 0.490 0.479 4.898) 4.946 88.903 ( -0.509 0.749 4.860) 4.944 89.077 ( 6.738 -0.719 10.981) 12.904 89.233 ( -9.118 -1.845 16.072) 18.570 89.447 ( 1.813 8.605 -1.017) 8.852 89.482 ( -1.888 8.681 1.509) 9.011 90.327 ( 25.621 -7.875 -11.025) 28.983 90.901 ( -33.317 -16.815 -13.604) 39.722 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 13.973 19.935) 24.344 1.603 ( 0.000 18.473 4.929) 19.119 1.725 ( 0.000 15.253 -2.421) 15.444 1.735 ( 0.000 14.049 3.040) 14.374 1.867 ( 0.000 -2.159 5.793) 6.182 2.109 ( 0.000 2.195 -4.356) 4.878 2.200 ( 0.000 -0.706 0.445) 0.835 2.528 ( 0.000 -10.696 5.945) 12.237 2.685 ( 0.000 -8.984 2.310) 9.276 2.689 ( 0.000 1.126 -4.388) 4.530 2.924 ( 0.000 -10.972 -3.885) 11.639 3.092 ( 0.000 -13.254 -3.286) 13.655 3.249 ( 0.000 12.081 5.201) 13.153 3.811 ( 0.000 -12.551 6.240) 14.017 4.106 ( 0.000 8.163 -12.703) 15.100 4.403 ( 0.000 6.472 -1.263) 6.594 4.455 ( 0.000 -8.598 -8.627) 12.180 4.523 ( 0.000 6.233 -2.966) 6.902 4.678 ( 0.000 -7.225 -0.567) 7.247 4.771 ( 0.000 -4.422 -2.776) 5.221 5.302 ( 0.000 5.098 3.933) 6.439 5.352 ( 0.000 8.843 3.616) 9.553 5.431 ( 0.000 -1.135 5.015) 5.142 5.560 ( 0.000 -0.907 2.171) 2.353 6.046 ( 0.000 8.413 0.081) 8.414 6.150 ( 0.000 6.126 -1.263) 6.255 6.482 ( 0.000 -9.750 -1.504) 9.865 6.539 ( 0.000 -8.314 -1.632) 8.472 6.713 ( 0.000 4.019 1.731) 4.376 6.725 ( 0.000 3.012 1.807) 3.513 6.734 ( 0.000 0.384 2.202) 2.235 6.816 ( 0.000 -3.477 0.426) 3.503 6.975 ( 0.000 1.236 1.197) 1.720 7.132 ( 0.000 -4.667 1.200) 4.819 7.211 ( 0.000 3.577 -4.638) 5.857 7.293 ( 0.000 0.036 -2.352) 2.352 10.864 ( 0.000 3.002 -0.806) 3.109 10.905 ( 0.000 3.177 -0.583) 3.230 10.982 ( 0.000 -2.937 -1.360) 3.236 11.018 ( 0.000 -2.472 -1.538) 2.911 11.733 ( 0.000 3.340 -3.184) 4.614 11.808 ( 0.000 2.650 -2.096) 3.378 11.829 ( 0.000 -0.098 -3.542) 3.543 11.923 ( 0.000 0.831 -1.922) 2.094 12.195 ( 0.000 5.988 -0.942) 6.062 12.261 ( 0.000 6.049 0.379) 6.061 12.483 ( 0.000 -5.903 0.878) 5.968 12.556 ( 0.000 -5.881 1.844) 6.163 13.776 ( 0.000 28.005 6.834) 28.826 14.859 ( 0.000 -20.606 3.320) 20.872 15.034 ( 0.000 10.659 -27.503) 29.496 15.276 ( 0.000 -3.050 -5.900) 6.642 22.304 ( 0.000 5.775 2.936) 6.478 22.589 ( 0.000 -7.470 4.339) 8.639 22.752 ( 0.000 8.179 -11.090) 13.780 23.010 ( 0.000 -4.544 -6.033) 7.553 23.057 ( 0.000 4.605 0.495) 4.631 23.124 ( 0.000 4.543 -0.984) 4.648 23.286 ( 0.000 -5.267 1.506) 5.478 23.340 ( 0.000 -5.705 -0.819) 5.764 23.898 ( 0.000 4.044 7.021) 8.103 24.083 ( 0.000 -4.366 1.299) 4.555 24.304 ( 0.000 8.455 0.097) 8.455 24.798 ( 0.000 -14.094 -6.644) 15.582 25.518 ( 0.000 3.511 4.641) 5.820 25.760 ( 0.000 -9.814 20.155) 22.418 25.900 ( 0.000 14.251 -2.193) 14.419 26.616 ( 0.000 -19.886 2.573) 20.052 30.376 ( 0.000 11.728 1.468) 11.819 30.504 ( 0.000 5.773 -1.660) 6.007 30.668 ( 0.000 1.483 1.320) 1.986 30.689 ( 0.000 -4.704 1.431) 4.917 30.724 ( 0.000 2.052 -0.301) 2.074 30.744 ( 0.000 -2.019 1.456) 2.489 30.799 ( 0.000 -2.513 -0.943) 2.684 30.875 ( 0.000 -8.678 -1.087) 8.746 88.857 ( 0.000 1.802 3.541) 3.974 88.933 ( 0.000 -0.974 4.902) 4.998 89.053 ( 0.000 5.879 11.909) 13.281 89.385 ( 0.000 1.508 3.936) 4.215 89.471 ( 0.000 0.593 -5.653) 5.684 89.662 ( 0.000 -22.485 32.449) 39.478 89.969 ( 0.000 30.099 -7.511) 31.022 91.830 ( 0.000 -56.641 -13.595) 58.249 ======================= Grid point 109 (42/75) ======================= q-point: ( 0.11 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -10.811 18.100 4.856) 21.635 1.425 ( 0.454 14.733 19.385) 24.353 1.621 ( -7.720 12.814 -2.046) 15.099 1.897 ( 3.860 1.055 1.852) 4.409 1.940 ( 4.729 -4.697 5.709) 8.776 2.129 ( 1.969 1.364 -3.968) 4.636 2.208 ( 2.424 2.610 0.579) 3.609 2.480 ( -4.424 -6.643 3.623) 8.765 2.585 ( -6.320 -1.684 0.119) 6.542 2.701 ( 1.311 1.682 -3.377) 3.994 3.004 ( 5.431 -8.979 -1.696) 10.630 3.068 ( 0.007 -6.749 0.610) 6.777 3.365 ( 9.173 4.867 2.201) 10.615 3.822 ( 1.099 -10.633 4.865) 11.745 4.107 ( -0.131 7.434 -11.521) 13.712 4.372 ( -4.492 -1.913 -7.154) 8.661 4.411 ( -0.192 4.719 -1.493) 4.953 4.580 ( 2.754 -1.076 -0.791) 3.061 4.698 ( 0.869 -5.147 -2.216) 5.671 4.779 ( 1.737 -4.115 -2.529) 5.133 5.307 ( -0.136 6.538 2.746) 7.093 5.339 ( -0.026 6.708 3.571) 7.600 5.467 ( 2.974 -0.347 4.236) 5.187 5.572 ( 1.439 -1.313 2.720) 3.346 6.032 ( -1.434 7.877 0.267) 8.011 6.150 ( -0.003 5.732 -1.569) 5.943 6.421 ( -5.961 -6.450 -1.050) 8.845 6.517 ( -1.891 -6.546 -2.008) 7.103 6.646 ( -4.778 1.816 0.767) 5.168 6.681 ( -2.570 -0.031 1.270) 2.867 6.749 ( -1.197 -1.125 2.373) 2.886 6.800 ( -2.631 -4.482 0.671) 5.240 6.984 ( 1.525 2.691 1.510) 3.442 7.143 ( 1.043 -3.445 0.895) 3.709 7.249 ( 2.961 2.552 -3.773) 5.433 7.303 ( 0.763 0.307 -1.997) 2.160 10.869 ( 0.940 4.415 -0.801) 4.585 10.896 ( 0.635 4.022 -1.451) 4.322 11.057 ( 5.615 -3.761 -0.849) 6.811 11.061 ( 4.001 -3.715 -1.206) 5.591 11.718 ( -1.484 2.921 -3.213) 4.588 11.780 ( -2.920 1.942 -2.714) 4.435 11.810 ( -1.576 -0.398 -3.405) 3.773 11.889 ( -3.111 0.910 -2.435) 4.054 12.236 ( 4.264 6.616 -0.301) 7.877 12.297 ( 3.838 7.017 0.776) 8.036 12.542 ( 5.652 -6.182 1.051) 8.442 12.619 ( 5.761 -6.428 1.984) 8.856 13.775 ( 0.064 27.534 6.624) 28.320 14.822 ( -3.823 -15.416 -1.417) 15.946 14.982 ( -4.854 5.023 -20.152) 21.328 15.218 ( -6.090 -3.750 -5.926) 9.288 22.322 ( 1.882 5.902 3.049) 6.905 22.596 ( 1.169 -5.373 3.620) 6.584 22.753 ( 0.151 7.394 -8.341) 11.147 23.020 ( -1.349 -0.827 -4.152) 4.444 23.055 ( -0.409 2.816 -1.285) 3.122 23.118 ( 1.440 1.288 -1.962) 2.754 23.286 ( -0.584 -4.714 1.072) 4.869 23.343 ( 0.605 -6.299 -0.468) 6.346 23.919 ( 2.140 3.738 6.558) 7.846 24.096 ( 1.305 -4.232 1.168) 4.580 24.303 ( -0.215 7.947 0.354) 7.957 24.762 ( -3.525 -12.837 -5.581) 14.434 25.552 ( 3.353 2.361 3.734) 5.546 25.750 ( -0.884 -7.743 17.642) 19.287 25.901 ( -0.120 12.544 -1.242) 12.606 26.569 ( -4.686 -18.295 2.021) 18.994 30.384 ( 0.762 11.540 1.085) 11.616 30.482 ( -1.560 7.369 -1.301) 7.644 30.652 ( -1.489 1.481 0.599) 2.184 30.663 ( -1.988 0.400 0.251) 2.043 30.724 ( 0.776 -2.616 2.716) 3.850 30.789 ( 2.952 -1.956 -0.050) 3.542 30.816 ( 1.756 -2.917 -0.526) 3.445 30.908 ( 2.894 -9.692 -1.440) 10.216 88.861 ( 0.504 1.813 3.714) 4.164 88.931 ( -0.176 -0.651 5.216) 5.259 89.039 ( -1.262 5.402 11.375) 12.656 89.406 ( 1.755 0.139 8.506) 8.686 89.485 ( 0.813 -1.311 -2.838) 3.230 89.627 ( -2.276 -15.614 21.731) 26.855 89.953 ( -1.632 28.397 -7.194) 29.339 91.708 ( -12.237 -52.908 -13.865) 56.047 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.22 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -8.743 16.629 4.291) 19.271 1.453 ( -5.102 8.305 0.218) 9.750 1.523 ( 2.912 11.539 13.546) 18.032 1.814 ( -9.005 -12.745 2.675) 15.833 1.991 ( -4.335 -9.665 3.337) 11.106 2.104 ( 0.387 -10.768 -0.878) 10.810 2.302 ( 0.335 3.822 -0.204) 3.843 2.412 ( 0.305 2.053 -1.162) 2.378 2.570 ( 6.128 14.071 -0.330) 15.351 2.744 ( 3.502 5.524 -0.003) 6.541 3.081 ( 2.898 -1.758 1.568) 3.735 3.116 ( 3.613 -8.322 -0.106) 9.074 3.555 ( 10.185 3.187 0.826) 10.704 3.849 ( 1.525 -6.022 1.637) 6.424 4.087 ( -2.150 6.102 -8.705) 10.846 4.280 ( -4.879 -2.239 -8.478) 10.035 4.426 ( 1.610 3.365 1.473) 4.011 4.599 ( -0.654 -4.339 2.733) 5.169 4.703 ( 0.538 0.697 -2.683) 2.824 4.823 ( 0.891 -3.055 -0.326) 3.199 5.309 ( 1.715 6.553 -0.331) 6.782 5.369 ( 2.535 4.916 2.118) 5.923 5.514 ( 1.350 0.872 1.336) 2.090 5.637 ( 5.670 -3.333 4.066) 7.732 5.988 ( -3.194 6.639 0.873) 7.419 6.146 ( -0.445 4.690 -1.556) 4.961 6.286 ( -6.934 -3.225 0.332) 7.655 6.486 ( -0.939 -5.409 -2.744) 6.138 6.547 ( -5.269 -0.350 -0.107) 5.282 6.626 ( -3.707 -2.445 0.272) 4.449 6.700 ( -3.576 -2.935 0.852) 4.704 6.720 ( -4.523 -5.924 0.736) 7.490 7.031 ( 2.937 3.110 2.328) 4.870 7.167 ( 1.329 -2.472 1.267) 3.079 7.294 ( 1.160 1.760 -2.557) 3.314 7.309 ( -0.308 0.746 -1.364) 1.585 10.915 ( 3.806 5.661 -1.399) 6.964 10.940 ( 3.775 5.181 -1.279) 6.536 11.143 ( 4.114 -4.310 -1.043) 6.049 11.163 ( 4.621 -4.414 -0.359) 6.401 11.680 ( -2.426 2.074 -3.462) 4.708 11.715 ( -3.121 1.488 -3.321) 4.794 11.775 ( -2.037 -1.251 -3.587) 4.311 11.819 ( -3.825 0.520 -3.676) 5.331 12.355 ( 7.828 7.526 0.882) 10.895 12.405 ( 7.117 8.086 1.302) 10.851 12.675 ( 7.273 -6.049 1.606) 9.595 12.743 ( 6.321 -6.159 2.599) 9.200 13.788 ( 1.657 25.397 6.002) 26.149 14.718 ( -6.351 -4.683 -10.212) 12.906 14.870 ( -6.363 -7.889 -6.455) 12.016 15.043 ( -11.796 -5.009 -5.270) 13.857 22.375 ( 3.513 6.164 3.200) 7.783 22.645 ( 3.782 -4.004 2.869) 6.210 22.760 ( 0.697 7.496 -5.779) 9.490 22.949 ( -5.398 2.388 -1.779) 6.165 23.020 ( -2.186 5.424 1.242) 5.978 23.191 ( 4.213 -4.968 -5.553) 8.559 23.254 ( -2.401 -3.914 0.842) 4.668 23.362 ( 1.055 -7.287 -0.485) 7.379 23.979 ( 4.005 2.761 5.493) 7.337 24.135 ( 2.719 -3.892 0.860) 4.825 24.295 ( -0.646 6.423 1.096) 6.547 24.671 ( -5.660 -10.279 -3.566) 12.264 25.640 ( 5.497 0.034 2.829) 6.183 25.737 ( -0.097 -4.374 12.160) 12.923 25.888 ( -1.287 10.058 -0.222) 10.142 26.448 ( -7.526 -14.848 0.702) 16.661 30.400 ( 0.842 10.339 0.366) 10.380 30.469 ( 0.369 10.131 -1.100) 10.197 30.617 ( -1.928 2.338 -0.594) 3.088 30.624 ( -2.115 3.668 0.371) 4.250 30.749 ( 1.728 -4.164 3.358) 5.621 30.832 ( 1.585 -3.054 0.334) 3.456 30.871 ( 3.505 -4.084 -0.456) 5.402 30.965 ( 2.647 -10.601 -1.800) 11.074 88.878 ( 1.261 1.655 4.420) 4.886 88.931 ( 0.370 0.144 6.071) 6.084 89.011 ( -1.539 4.270 10.442) 11.386 89.394 ( -4.834 -11.506 29.415) 31.953 89.499 ( 2.526 4.186 -6.974) 8.517 89.658 ( 5.873 -2.581 -3.325) 7.225 89.908 ( -2.958 24.168 -6.692) 25.252 91.384 ( -20.431 -43.289 -14.133) 49.911 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.404 8.553 3.371) 9.202 1.355 ( -3.402 1.563 -3.041) 4.823 1.548 ( -4.511 -2.385 6.151) 7.992 1.626 ( -10.311 -12.517 3.285) 16.546 1.852 ( -2.631 -2.466 5.122) 6.264 2.181 ( 1.972 -4.163 1.517) 4.850 2.219 ( -2.948 -0.051 2.934) 4.159 2.436 ( -0.353 -2.318 -5.807) 6.262 2.757 ( 10.945 14.170 1.462) 17.964 2.851 ( 7.414 10.383 2.092) 12.929 3.120 ( 0.560 0.696 1.666) 1.890 3.162 ( 0.676 -3.398 -0.087) 3.466 3.750 ( 9.641 2.552 -1.011) 10.025 3.881 ( 2.011 -1.763 -1.610) 3.122 4.032 ( -3.177 4.451 -6.444) 8.451 4.179 ( -5.708 -2.475 -7.993) 10.128 4.463 ( 1.965 2.492 4.113) 5.195 4.589 ( 0.589 -3.777 3.539) 5.209 4.711 ( -0.522 2.545 -0.266) 2.612 4.780 ( -4.724 1.086 3.511) 5.985 5.391 ( 6.281 2.931 -3.770) 7.890 5.424 ( 3.050 4.394 0.010) 5.349 5.527 ( 0.226 3.201 -0.615) 3.267 5.749 ( 2.770 -4.261 -0.821) 5.148 5.932 ( -0.004 4.253 4.201) 5.978 6.135 ( -0.697 1.232 1.080) 1.780 6.180 ( -3.757 -2.756 2.050) 5.091 6.431 ( -6.333 -6.813 0.664) 9.326 6.497 ( 1.009 -2.110 -3.271) 4.021 6.532 ( -4.881 -1.365 -1.739) 5.358 6.616 ( -4.188 -3.251 -0.352) 5.314 6.659 ( -2.450 -5.785 -1.346) 6.426 7.091 ( 3.184 2.496 2.737) 4.885 7.194 ( 1.536 -1.695 1.478) 2.724 7.279 ( -2.262 1.357 -0.036) 2.638 7.300 ( -0.997 0.857 -1.518) 2.008 11.006 ( 5.349 5.209 -1.496) 7.614 11.033 ( 5.495 5.098 -0.886) 7.548 11.203 ( 1.712 -3.109 -0.661) 3.610 11.219 ( 0.902 -2.340 -0.179) 2.515 11.635 ( -1.638 1.392 -3.999) 4.540 11.671 ( -1.584 0.820 -3.618) 4.034 11.734 ( -2.085 -1.869 -4.449) 5.257 11.751 ( -3.056 -0.469 -4.739) 5.658 12.523 ( 9.034 7.857 2.080) 12.152 12.562 ( 8.745 7.836 1.637) 11.856 12.787 ( 3.435 -2.463 2.516) 4.919 12.838 ( 2.937 -3.620 3.004) 5.546 13.864 ( 6.956 19.208 4.919) 21.013 14.602 ( -5.566 -1.994 -10.528) 12.075 14.722 ( -10.562 -10.558 -0.841) 14.958 14.798 ( -10.755 -9.350 -5.275) 15.197 22.457 ( 5.037 6.205 3.014) 8.542 22.726 ( 4.009 -5.515 2.320) 7.202 22.781 ( 1.491 8.667 -5.615) 10.434 22.829 ( -6.752 3.893 -0.131) 7.795 22.986 ( -1.013 6.163 3.027) 6.941 23.179 ( -4.112 -1.640 1.778) 4.770 23.276 ( 3.324 -6.596 -5.323) 9.104 23.374 ( 0.066 -7.631 -1.330) 7.746 24.066 ( 4.724 1.752 4.531) 6.776 24.199 ( 3.619 -2.756 0.681) 4.599 24.278 ( -0.913 3.285 1.982) 3.944 24.552 ( -6.491 -7.889 -1.863) 10.385 25.718 ( 1.604 -0.036 9.023) 9.165 25.788 ( 5.977 -2.771 -0.011) 6.589 25.854 ( -1.726 7.165 0.618) 7.396 26.289 ( -8.680 -11.428 -0.660) 14.366 30.423 ( 1.724 9.098 0.009) 9.260 30.489 ( 1.512 10.654 -1.403) 10.852 30.574 ( -2.584 4.806 -0.153) 5.459 30.586 ( -1.743 5.026 -0.877) 5.392 30.788 ( 2.226 -4.656 3.385) 6.172 30.854 ( 0.637 -3.572 1.203) 3.823 30.937 ( 3.110 -5.770 -0.818) 6.606 31.003 ( 1.204 -10.210 -1.773) 10.432 88.903 ( 1.136 1.580 5.863) 6.177 88.952 ( 1.358 1.864 7.463) 7.812 88.987 ( -0.195 1.517 9.671) 9.791 89.271 ( -6.819 -9.186 23.696) 26.313 89.570 ( 4.260 7.679 -5.909) 10.584 89.804 ( 3.047 11.176 -8.730) 14.505 89.870 ( 5.048 4.477 -6.171) 9.144 90.954 ( -23.255 -31.181 -13.587) 41.202 ======================= Grid point 112 (45/75) ======================= q-point: ( 0.44 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 9.128 -1.240 2.006) 9.428 1.340 ( 2.015 -6.369 -2.424) 7.106 1.368 ( -12.764 -7.281 1.828) 14.808 1.431 ( -7.293 -12.302 -0.774) 14.322 1.922 ( 6.839 7.457 8.153) 12.994 2.065 ( -7.512 7.378 5.411) 11.839 2.305 ( 5.316 -8.286 -0.345) 9.851 2.394 ( -3.652 -6.241 -3.418) 7.998 2.950 ( 8.492 10.273 2.238) 13.515 3.003 ( 6.918 8.977 1.503) 11.433 3.089 ( -3.488 4.943 1.364) 6.202 3.131 ( -3.867 2.722 0.147) 4.731 3.902 ( 5.039 0.988 -2.985) 5.939 3.945 ( 5.383 -0.234 -5.052) 7.386 3.972 ( -3.056 2.328 -4.911) 6.235 4.063 ( -6.191 -1.858 -6.843) 9.413 4.514 ( 3.951 3.739 6.312) 8.332 4.606 ( -2.585 2.346 4.663) 5.825 4.660 ( -0.698 -0.496 4.412) 4.494 4.705 ( -2.817 0.638 2.239) 3.654 5.480 ( 2.571 4.772 -2.091) 5.810 5.507 ( 1.422 4.628 -2.537) 5.466 5.543 ( 5.173 1.867 -4.108) 6.865 5.680 ( -6.981 0.754 -4.462) 8.319 6.042 ( 7.630 -2.964 5.159) 9.675 6.117 ( -1.502 -1.241 3.852) 4.317 6.149 ( 1.547 -5.236 4.109) 6.833 6.277 ( -9.096 -6.767 3.154) 11.768 6.482 ( -0.065 -0.393 -3.725) 3.746 6.507 ( -1.428 -1.822 -2.185) 3.184 6.572 ( 0.760 -4.019 -3.665) 5.492 6.612 ( -2.503 -5.391 -3.060) 6.685 7.155 ( 3.465 1.932 2.361) 4.617 7.222 ( -2.972 1.404 1.275) 3.526 7.228 ( 1.593 -0.644 1.008) 1.992 7.268 ( -2.054 0.102 -0.174) 2.064 11.111 ( 5.220 3.674 -0.946) 6.453 11.136 ( 4.703 3.175 -0.557) 5.702 11.196 ( -3.076 0.984 -0.443) 3.260 11.202 ( -1.882 -0.032 -0.407) 1.926 11.626 ( 0.590 0.710 -4.174) 4.275 11.646 ( -1.170 0.336 -3.887) 4.073 11.701 ( -0.898 -1.641 -5.557) 5.864 11.707 ( -1.369 -2.212 -5.178) 5.795 12.686 ( 7.381 7.023 3.030) 10.629 12.726 ( 7.767 5.695 2.030) 9.843 12.790 ( -2.989 3.511 3.285) 5.661 12.838 ( -3.158 1.331 2.574) 4.286 14.070 ( 14.194 9.070 3.287) 17.162 14.382 ( -16.764 1.053 0.995) 16.827 14.602 ( 0.220 -10.118 -8.408) 13.157 14.659 ( -5.086 -13.552 -5.401) 15.450 22.567 ( 6.234 5.820 2.344) 8.845 22.695 ( -6.871 5.021 1.247) 8.601 22.783 ( 1.897 -1.364 -0.335) 2.361 22.804 ( 0.043 3.633 -3.830) 5.279 23.004 ( 3.182 5.115 3.950) 7.204 23.089 ( -4.953 1.372 2.893) 5.898 23.331 ( 2.266 -6.967 -4.090) 8.390 23.364 ( -1.144 -7.359 -2.613) 7.892 24.153 ( 4.084 1.803 3.861) 5.902 24.217 ( -2.244 2.865 2.937) 4.676 24.313 ( 4.994 -4.824 0.284) 6.950 24.426 ( -6.364 -6.143 -0.669) 8.870 25.749 ( 1.989 2.939 5.670) 6.689 25.795 ( -2.556 5.608 2.528) 6.662 25.949 ( 8.427 -5.854 -1.548) 10.377 26.118 ( -8.933 -8.554 -1.502) 12.459 30.466 ( 2.625 7.906 -0.126) 8.332 30.517 ( -0.784 7.542 -0.817) 7.627 30.524 ( -0.419 8.156 -0.872) 8.213 30.554 ( -1.653 7.099 -1.392) 7.420 30.829 ( 1.836 -4.451 2.869) 5.605 30.854 ( -0.681 -4.012 2.071) 4.566 30.987 ( 1.977 -7.443 -1.188) 7.792 31.010 ( -0.446 -8.994 -1.522) 9.133 88.923 ( 1.048 2.301 7.202) 7.633 88.945 ( -1.149 3.269 8.140) 8.847 89.040 ( 4.612 -2.528 11.368) 12.526 89.145 ( -6.071 -5.343 16.613) 18.477 89.657 ( 4.618 11.107 -6.035) 13.458 89.745 ( -4.447 15.500 -6.624) 17.433 90.133 ( 17.428 -10.588 -10.060) 22.739 90.514 ( -21.719 -19.664 -12.109) 31.701 ======================= Grid point 117 (46/75) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 -13.439 13.989) 19.398 1.661 ( 0.000 13.439 13.989) 19.398 1.851 ( 0.000 -3.045 2.617) 4.015 1.851 ( 0.000 3.045 2.617) 4.015 2.035 ( 0.000 -11.783 -2.140) 11.976 2.035 ( 0.000 11.783 -2.140) 11.976 2.286 ( 0.000 -9.749 1.702) 9.897 2.286 ( 0.000 9.749 1.702) 9.897 2.695 ( 0.000 -9.027 -2.603) 9.395 2.695 ( 0.000 9.027 -2.603) 9.395 2.828 ( 0.000 -11.000 -2.513) 11.284 2.828 ( 0.000 11.000 -2.513) 11.284 3.528 ( 0.000 -14.038 5.562) 15.100 3.528 ( 0.000 14.038 5.562) 15.100 4.278 ( 0.000 -8.412 -12.376) 14.965 4.278 ( 0.000 8.412 -12.376) 14.965 4.537 ( 0.000 -6.452 1.229) 6.568 4.537 ( 0.000 6.452 1.229) 6.568 4.658 ( 0.000 -6.288 -2.982) 6.959 4.658 ( 0.000 6.288 -2.982) 6.959 5.386 ( 0.000 -3.122 4.711) 5.652 5.386 ( 0.000 3.122 4.711) 5.652 5.501 ( 0.000 -4.985 2.428) 5.545 5.501 ( 0.000 4.985 2.428) 5.545 6.255 ( 0.000 -11.135 -0.416) 11.143 6.255 ( 0.000 11.135 -0.416) 11.143 6.329 ( 0.000 -10.437 -1.195) 10.505 6.329 ( 0.000 10.437 -1.195) 10.505 6.743 ( 0.000 -0.083 1.328) 1.330 6.743 ( 0.000 0.083 1.328) 1.330 6.777 ( 0.000 -1.440 1.019) 1.765 6.777 ( 0.000 1.440 1.019) 1.765 7.036 ( 0.000 -4.260 1.579) 4.543 7.036 ( 0.000 4.260 1.579) 4.543 7.273 ( 0.000 -2.037 -3.689) 4.214 7.273 ( 0.000 2.037 -3.689) 4.214 10.924 ( 0.000 -2.754 -1.025) 2.939 10.924 ( 0.000 2.754 -1.025) 2.939 10.965 ( 0.000 -2.663 -1.249) 2.942 10.965 ( 0.000 2.663 -1.249) 2.942 11.791 ( 0.000 -2.418 -3.761) 4.471 11.791 ( 0.000 2.418 -3.761) 4.471 11.884 ( 0.000 -3.831 -2.750) 4.716 11.884 ( 0.000 3.831 -2.750) 4.716 12.341 ( 0.000 -7.464 0.744) 7.501 12.341 ( 0.000 7.464 0.744) 7.501 12.413 ( 0.000 -7.587 1.736) 7.783 12.413 ( 0.000 7.587 1.736) 7.783 14.359 ( 0.000 -26.859 5.821) 27.483 14.359 ( 0.000 26.859 5.821) 27.483 15.192 ( 0.000 -5.327 -13.920) 14.904 15.192 ( 0.000 5.327 -13.920) 14.904 22.437 ( 0.000 -6.957 4.146) 8.098 22.437 ( 0.000 6.957 4.146) 8.098 22.899 ( 0.000 -6.124 -7.896) 9.993 22.899 ( 0.000 6.124 -7.896) 9.993 23.168 ( 0.000 -5.840 1.027) 5.930 23.168 ( 0.000 5.840 1.027) 5.930 23.226 ( 0.000 -5.178 -1.025) 5.279 23.226 ( 0.000 5.178 -1.025) 5.279 23.989 ( 0.000 -4.565 3.890) 5.998 23.989 ( 0.000 4.565 3.890) 5.998 24.519 ( 0.000 -12.100 -1.863) 12.242 24.519 ( 0.000 12.100 -1.863) 12.242 25.610 ( 0.000 -5.435 9.417) 10.873 25.610 ( 0.000 5.435 9.417) 10.873 26.229 ( 0.000 -17.250 -1.276) 17.298 26.229 ( 0.000 17.250 -1.276) 17.298 30.575 ( 0.000 -6.726 0.831) 6.777 30.575 ( 0.000 6.726 0.831) 6.777 30.658 ( 0.000 -9.390 -1.061) 9.450 30.658 ( 0.000 9.390 -1.061) 9.450 30.703 ( 0.000 -1.865 1.472) 2.376 30.703 ( 0.000 1.865 1.472) 2.376 30.769 ( 0.000 -2.384 -0.162) 2.390 30.769 ( 0.000 2.384 -0.162) 2.390 88.899 ( 0.000 -2.034 4.581) 5.012 88.899 ( 0.000 2.034 4.581) 5.012 89.244 ( 0.000 -12.073 24.145) 26.995 89.244 ( 0.000 12.073 24.145) 26.995 89.471 ( 0.000 -0.065 -7.104) 7.105 89.471 ( 0.000 0.065 -7.104) 7.105 90.756 ( 0.000 -45.315 -11.585) 46.772 90.756 ( 0.000 45.315 -11.585) 46.772 ======================= Grid point 119 (47/75) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -2.438 -12.036 8.404) 14.880 1.662 ( -2.438 12.036 8.404) 14.880 1.743 ( -7.168 -13.330 8.410) 17.315 1.743 ( -7.168 13.330 8.410) 17.315 1.955 ( -6.609 -12.114 -2.732) 14.068 1.955 ( -6.609 12.114 -2.732) 14.068 2.347 ( 3.858 -6.378 -0.204) 7.457 2.347 ( 3.858 6.378 -0.204) 7.457 2.753 ( 5.392 -13.039 -1.909) 14.238 2.753 ( 5.392 13.039 -1.909) 14.238 2.856 ( 2.975 -11.215 -0.795) 11.630 2.856 ( 2.975 11.215 -0.795) 11.630 3.574 ( 4.550 -12.329 4.538) 13.903 3.574 ( 4.550 12.329 4.538) 13.903 4.258 ( -2.037 -6.985 -11.710) 13.786 4.258 ( -2.037 6.985 -11.710) 13.786 4.528 ( -0.836 -5.374 1.793) 5.726 4.528 ( -0.836 5.374 1.793) 5.726 4.688 ( 2.886 -3.992 -3.115) 5.828 4.688 ( 2.886 3.992 -3.115) 5.828 5.393 ( 0.643 -2.297 3.588) 4.309 5.393 ( 0.643 2.297 3.588) 4.309 5.512 ( 1.303 -4.334 2.999) 5.429 5.512 ( 1.303 4.334 2.999) 5.429 6.228 ( -2.897 -10.158 -0.358) 10.569 6.228 ( -2.897 10.158 -0.358) 10.569 6.321 ( -0.758 -9.865 -1.363) 9.988 6.321 ( -0.758 9.865 -1.363) 9.988 6.703 ( -3.694 -1.717 0.847) 4.160 6.703 ( -3.694 1.717 0.847) 4.160 6.728 ( -4.398 -1.859 0.863) 4.852 6.728 ( -4.398 1.859 0.863) 4.852 7.059 ( 2.045 -4.120 1.934) 4.990 7.059 ( 2.045 4.120 1.934) 4.990 7.293 ( 1.624 -1.341 -3.289) 3.905 7.293 ( 1.624 1.341 -3.289) 3.905 10.954 ( 2.963 -2.229 -1.284) 3.923 10.954 ( 2.963 2.229 -1.284) 3.923 10.994 ( 2.801 -1.602 -1.046) 3.392 10.994 ( 2.801 1.602 -1.046) 3.392 11.766 ( -2.317 -1.892 -3.842) 4.870 11.766 ( -2.317 1.892 -3.842) 4.870 11.854 ( -2.733 -3.284 -2.913) 5.171 11.854 ( -2.733 3.284 -2.913) 5.171 12.393 ( 5.055 -7.688 0.951) 9.250 12.393 ( 5.055 7.688 0.951) 9.250 12.465 ( 4.975 -8.013 1.913) 9.624 12.465 ( 4.975 8.013 1.913) 9.624 14.348 ( -1.129 -26.333 5.357) 26.896 14.348 ( -1.129 26.333 5.357) 26.896 15.121 ( -7.095 -5.691 -12.811) 15.712 15.121 ( -7.095 5.691 -12.811) 15.712 22.457 ( 1.995 -6.884 4.132) 8.273 22.457 ( 1.995 6.884 4.132) 8.273 22.911 ( 1.107 -6.963 -7.915) 10.600 22.911 ( 1.107 6.963 -7.915) 10.600 23.149 ( -1.746 -3.456 1.669) 4.216 23.149 ( -1.746 3.456 1.669) 4.216 23.230 ( 0.243 -3.056 -1.121) 3.264 23.230 ( 0.243 3.056 -1.121) 3.264 24.004 ( 1.600 -4.381 3.764) 5.993 24.004 ( 1.600 4.381 3.764) 5.993 24.505 ( -1.517 -11.326 -1.474) 11.522 24.505 ( -1.517 11.326 -1.474) 11.522 25.623 ( 1.361 -4.547 8.504) 9.739 25.623 ( 1.361 4.547 8.504) 9.739 26.208 ( -2.195 -16.241 -1.358) 16.445 26.208 ( -2.195 16.241 -1.358) 16.445 30.572 ( -0.166 -6.410 0.546) 6.435 30.572 ( -0.166 6.410 0.546) 6.435 30.667 ( 0.648 -8.864 -1.524) 9.017 30.667 ( 0.648 8.864 -1.524) 9.017 30.706 ( 0.455 -0.567 1.823) 1.963 30.706 ( 0.455 0.567 1.823) 1.963 30.783 ( 1.359 -1.923 0.037) 2.356 30.783 ( 1.359 1.923 0.037) 2.356 88.901 ( 0.300 -1.869 4.884) 5.238 88.901 ( 0.300 1.869 4.884) 5.238 89.217 ( -2.453 -11.359 22.183) 25.042 89.217 ( -2.453 11.359 22.183) 25.042 89.504 ( 3.227 -2.249 -6.400) 7.513 89.504 ( 3.227 2.249 -6.400) 7.513 90.699 ( -5.711 -42.805 -11.566) 44.706 90.699 ( -5.711 42.805 -11.566) 44.706 ======================= Grid point 121 (48/75) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -11.450 -16.252 2.705) 20.064 1.482 ( -11.450 16.252 2.705) 20.064 1.648 ( -8.214 -7.366 4.081) 11.764 1.648 ( -8.214 7.366 4.081) 11.764 1.887 ( 1.902 -7.143 5.286) 9.087 1.887 ( 1.902 7.143 5.286) 9.087 2.381 ( -0.543 -3.752 -2.048) 4.308 2.381 ( -0.543 3.752 -2.048) 4.308 2.879 ( 7.215 -13.576 -0.374) 15.379 2.879 ( 7.215 13.576 -0.374) 15.379 2.942 ( 5.592 -10.148 1.264) 11.655 2.942 ( 5.592 10.148 1.264) 11.655 3.690 ( 6.928 -8.360 2.067) 11.053 3.690 ( 6.928 8.360 2.067) 11.053 4.200 ( -3.903 -4.874 -10.101) 11.875 4.200 ( -3.903 4.874 -10.101) 11.875 4.512 ( -0.584 -4.326 2.869) 5.224 4.512 ( -0.584 4.326 2.869) 5.224 4.749 ( 2.680 -3.408 -2.207) 4.865 4.749 ( 2.680 3.408 -2.207) 4.865 5.408 ( 0.986 -2.002 0.861) 2.392 5.408 ( 0.986 2.002 0.861) 2.392 5.559 ( 3.611 -3.801 3.428) 6.264 5.559 ( 3.611 3.801 3.428) 6.264 6.146 ( -5.229 -7.758 0.236) 9.359 6.146 ( -5.229 7.758 0.236) 9.359 6.302 ( -1.267 -8.757 -1.184) 8.927 6.302 ( -1.267 8.757 -1.184) 8.927 6.609 ( -5.707 -4.219 -0.285) 7.103 6.609 ( -5.707 4.219 -0.285) 7.103 6.644 ( -3.763 -2.176 0.174) 4.350 6.644 ( -3.763 2.176 0.174) 4.350 7.102 ( 2.226 -3.449 2.458) 4.785 7.102 ( 2.226 3.449 2.458) 4.785 7.315 ( 0.300 -0.280 -2.362) 2.398 7.315 ( 0.300 0.280 -2.362) 2.398 11.028 ( 4.379 -2.859 -1.559) 5.458 11.028 ( 4.379 2.859 -1.559) 5.458 11.065 ( 4.302 -2.745 -0.734) 5.156 11.065 ( 4.302 2.746 -0.734) 5.156 11.714 ( -2.787 -1.238 -4.154) 5.153 11.714 ( -2.787 1.238 -4.154) 5.153 11.792 ( -3.499 -2.224 -3.412) 5.369 11.792 ( -3.499 2.224 -3.412) 5.369 12.521 ( 7.817 -7.381 1.546) 10.862 12.521 ( 7.817 7.381 1.546) 10.862 12.588 ( 7.342 -7.888 2.423) 11.046 12.588 ( 7.342 7.888 2.423) 11.046 14.319 ( -1.681 -24.570 3.977) 24.946 14.319 ( -1.681 24.570 3.977) 24.946 14.933 ( -11.871 -5.507 -10.092) 16.525 14.933 ( -11.871 5.507 -10.092) 16.525 22.512 ( 3.627 -6.873 3.966) 8.725 22.512 ( 3.627 6.873 3.966) 8.725 22.925 ( -0.380 -5.672 -6.995) 9.014 22.925 ( -0.380 5.672 -6.995) 9.014 23.117 ( -0.918 -2.954 2.304) 3.857 23.117 ( -0.918 2.954 2.304) 3.857 23.231 ( -0.153 -3.624 -1.302) 3.854 23.231 ( -0.153 3.624 -1.302) 3.854 24.050 ( 3.121 -3.921 3.473) 6.098 24.050 ( 3.121 3.921 3.473) 6.098 24.462 ( -2.920 -9.350 -0.457) 9.806 24.462 ( -2.920 9.350 -0.457) 9.806 25.664 ( 2.897 -2.314 6.201) 7.225 25.664 ( 2.897 2.314 6.201) 7.225 26.146 ( -4.092 -13.795 -1.455) 14.462 26.146 ( -4.092 13.795 -1.455) 14.462 30.572 ( 0.212 -6.285 -0.047) 6.288 30.572 ( 0.212 6.285 -0.047) 6.288 30.669 ( -0.535 -3.573 -1.472) 3.901 30.669 ( -0.535 3.573 -1.472) 3.901 30.732 ( 2.242 -5.723 1.532) 6.335 30.732 ( 2.242 5.723 1.532) 6.335 30.815 ( 1.682 -1.867 0.391) 2.544 30.815 ( 1.682 1.867 0.391) 2.544 88.912 ( 0.927 -1.482 5.791) 6.049 88.912 ( 0.927 1.482 5.791) 6.049 89.160 ( -3.271 -9.596 18.921) 21.466 89.160 ( -3.271 9.596 18.921) 21.466 89.590 ( 5.625 -3.860 -6.426) 9.372 89.590 ( 5.625 3.860 -6.426) 9.372 90.546 ( -9.815 -36.169 -11.369) 39.163 90.546 ( -9.815 36.169 -11.369) 39.163 ======================= Grid point 123 (49/75) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -7.464 -14.002 1.773) 15.965 1.292 ( -7.464 14.002 1.773) 15.965 1.451 ( -10.528 -7.204 -0.616) 12.771 1.451 ( -10.528 7.204 -0.616) 12.771 1.981 ( 6.420 -10.250 7.196) 14.074 1.981 ( 6.420 10.250 7.196) 14.074 2.334 ( -4.000 -6.280 -0.831) 7.492 2.334 ( -4.000 6.280 -0.831) 7.492 3.015 ( 6.385 -9.698 0.703) 11.633 3.015 ( 6.385 9.698 0.703) 11.633 3.051 ( 5.182 -6.902 1.616) 8.780 3.051 ( 5.182 6.902 1.616) 8.780 3.822 ( 6.323 -3.757 -1.120) 7.440 3.822 ( 6.323 3.757 -1.120) 7.440 4.113 ( -4.934 -3.557 -8.228) 10.232 4.113 ( -4.934 3.557 -8.228) 10.232 4.519 ( 1.731 -2.906 4.110) 5.322 4.519 ( 1.731 2.906 4.110) 5.322 4.764 ( -1.598 -2.124 0.580) 2.721 4.764 ( -1.598 2.124 0.580) 2.721 5.447 ( 3.465 -1.619 -1.914) 4.276 5.447 ( 3.465 1.619 -1.914) 4.276 5.634 ( 3.146 -6.117 0.775) 6.922 5.634 ( 3.146 6.117 0.775) 6.922 6.049 ( -3.794 -6.150 2.503) 7.647 6.049 ( -3.794 6.150 2.503) 7.647 6.259 ( -3.695 -7.365 1.186) 8.325 6.259 ( -3.695 7.365 1.186) 8.325 6.514 ( -3.226 -1.810 -2.408) 4.414 6.514 ( -3.226 1.810 -2.408) 4.414 6.581 ( -2.910 -1.142 -1.469) 3.454 6.581 ( -2.910 1.142 -1.469) 3.454 7.146 ( 2.397 -2.657 2.521) 4.377 7.146 ( 2.397 2.657 2.521) 4.377 7.300 ( -1.769 -0.655 -1.055) 2.162 7.300 ( -1.769 0.655 -1.055) 2.162 11.112 ( 4.084 -3.769 -1.294) 5.706 11.112 ( 4.084 3.768 -1.294) 5.706 11.145 ( 3.565 -3.605 -0.555) 5.100 11.145 ( 3.565 3.605 -0.555) 5.100 11.668 ( -1.799 -1.447 -4.689) 5.227 11.668 ( -1.799 1.447 -4.689) 5.227 11.726 ( -3.154 -1.326 -4.149) 5.377 11.726 ( -3.154 1.326 -4.149) 5.377 12.677 ( 7.780 -5.589 2.372) 9.869 12.677 ( 7.780 5.589 2.372) 9.869 12.728 ( 6.570 -5.745 3.092) 9.259 12.728 ( 6.570 5.745 3.092) 9.259 14.295 ( -0.427 -20.905 1.760) 20.983 14.295 ( -0.427 20.905 1.760) 20.983 14.686 ( -12.979 -3.539 -6.903) 15.121 14.686 ( -12.979 3.539 -6.903) 15.121 22.593 ( 4.704 -6.677 3.396) 8.845 22.593 ( 4.704 6.677 3.396) 8.845 22.882 ( -3.824 -0.301 -3.124) 4.947 22.882 ( -3.824 0.301 -3.124) 4.947 23.126 ( 1.591 -7.267 0.373) 7.449 23.126 ( 1.591 7.267 0.373) 7.449 23.222 ( -0.797 -5.816 -1.458) 6.048 23.222 ( -0.797 5.816 -1.458) 6.048 24.123 ( 4.315 -3.539 3.124) 6.396 24.123 ( 4.315 3.539 3.124) 6.396 24.394 ( -4.065 -6.959 0.805) 8.099 24.394 ( -4.065 6.959 0.805) 8.099 25.735 ( 4.415 -1.876 3.465) 5.917 25.735 ( 4.415 1.876 3.465) 5.917 26.053 ( -5.394 -10.883 -1.251) 12.210 26.053 ( -5.394 10.883 -1.251) 12.210 30.582 ( 0.824 -5.371 -0.588) 5.465 30.582 ( 0.824 5.371 -0.588) 5.465 30.651 ( -1.129 -0.622 -1.241) 1.790 30.651 ( -1.129 0.622 -1.241) 1.790 30.781 ( 2.612 -6.853 1.088) 7.414 30.781 ( 2.612 6.853 1.088) 7.414 30.841 ( 0.931 -2.975 0.639) 3.182 30.841 ( 0.931 2.975 0.639) 3.182 88.938 ( 1.773 -1.599 7.318) 7.698 88.938 ( 1.773 1.599 7.318) 7.698 89.096 ( -3.303 -7.301 15.534) 17.479 89.096 ( -3.303 7.301 15.534) 17.479 89.721 ( 7.963 -6.659 -7.340) 12.713 89.721 ( 7.963 6.659 -7.340) 12.713 90.335 ( -11.674 -27.467 -10.775) 31.731 90.335 ( -11.674 27.467 -10.775) 31.731 ======================= Grid point 125 (50/75) ======================= q-point: ( 0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -0.312 -7.492 0.168) 7.500 1.214 ( -0.312 7.492 0.168) 7.500 1.278 ( -6.650 -0.736 -0.875) 6.748 1.278 ( -6.650 0.736 -0.875) 6.748 2.112 ( 6.833 -9.762 4.858) 12.868 2.112 ( 6.833 9.762 4.858) 12.868 2.237 ( -5.923 -8.372 1.883) 10.427 2.237 ( -5.923 8.372 1.883) 10.427 3.109 ( 3.039 -4.317 1.248) 5.425 3.109 ( 3.039 4.317 1.248) 5.425 3.122 ( 1.736 -2.117 1.488) 3.116 3.122 ( 1.736 2.117 1.488) 3.116 3.928 ( 4.778 -1.265 -4.213) 6.495 3.928 ( 4.778 1.265 -4.213) 6.495 4.018 ( -4.782 -2.217 -6.427) 8.312 4.018 ( -4.782 2.217 -6.427) 8.312 4.585 ( 4.925 -2.899 4.675) 7.383 4.585 ( 4.925 2.899 4.675) 7.383 4.691 ( -5.351 -1.872 3.442) 6.632 4.691 ( -5.351 1.872 3.442) 6.632 5.540 ( 5.655 -1.068 -3.750) 6.869 5.540 ( 5.655 1.068 -3.750) 6.869 5.636 ( -3.270 -4.828 -3.456) 6.779 5.636 ( -3.270 4.828 -3.456) 6.779 6.045 ( 3.653 -3.135 5.436) 7.261 6.045 ( 3.653 3.135 5.436) 7.261 6.155 ( -6.511 -4.059 4.370) 8.830 6.155 ( -6.511 4.059 4.370) 8.830 6.495 ( 0.858 -0.984 -3.985) 4.194 6.495 ( 0.858 0.984 -3.985) 4.194 6.529 ( -2.357 -1.659 -3.163) 4.279 6.529 ( -2.357 1.659 -3.163) 4.279 7.197 ( 2.857 -1.938 1.819) 3.903 7.197 ( 2.857 1.938 1.819) 3.903 7.253 ( -2.886 -1.299 0.475) 3.200 7.253 ( -2.886 1.299 0.475) 3.200 11.175 ( 2.230 -2.041 -0.760) 3.117 11.175 ( 2.230 2.041 -0.760) 3.117 11.190 ( 0.845 -1.311 -0.459) 1.626 11.190 ( 0.845 1.312 -0.459) 1.626 11.651 ( 0.165 -1.151 -5.105) 5.236 11.651 ( 0.165 1.151 -5.105) 5.236 11.674 ( -2.092 -0.740 -4.869) 5.350 11.674 ( -2.092 0.740 -4.869) 5.350 12.798 ( 4.090 -2.348 3.176) 5.685 12.798 ( 4.090 2.348 3.176) 5.686 12.818 ( 2.105 -1.959 3.494) 4.525 12.818 ( 2.105 1.959 3.494) 4.526 14.324 ( 3.988 -14.391 -1.009) 14.968 14.324 ( 3.988 14.391 -1.009) 14.968 14.459 ( -9.864 -6.347 -3.896) 12.359 14.459 ( -9.864 6.347 -3.896) 12.359 22.690 ( 5.248 -5.738 2.209) 8.084 22.690 ( 5.248 5.738 2.209) 8.084 22.792 ( -5.179 -3.754 0.190) 6.399 22.792 ( -5.179 3.754 0.190) 6.399 23.164 ( 2.076 -8.622 -1.045) 8.930 23.164 ( 2.076 8.622 -1.045) 8.930 23.200 ( -1.541 -7.676 -1.458) 7.963 23.200 ( -1.541 7.676 -1.458) 7.963 24.213 ( 4.900 -3.760 2.657) 6.724 24.213 ( 4.900 3.760 2.657) 6.724 24.307 ( -4.783 -4.930 1.906) 7.128 24.307 ( -4.783 4.930 1.906) 7.128 25.832 ( 5.516 -4.859 1.122) 7.436 25.832 ( 5.516 4.859 1.122) 7.436 25.943 ( -5.887 -7.922 -0.453) 9.880 25.943 ( -5.887 7.922 -0.453) 9.880 30.602 ( 1.229 -3.721 -0.961) 4.035 30.602 ( 1.229 3.721 -0.961) 4.035 30.627 ( -1.316 -1.795 -1.157) 2.509 30.627 ( -1.316 1.795 -1.157) 2.509 30.825 ( 1.799 -5.879 0.915) 6.216 30.825 ( 1.799 5.879 0.915) 6.216 30.847 ( -0.418 -4.434 0.791) 4.523 30.847 ( -0.418 4.434 0.791) 4.523 88.980 ( 2.523 -2.938 9.498) 10.257 88.980 ( 2.523 2.938 9.498) 10.257 89.034 ( -3.029 -4.968 12.293) 13.601 89.034 ( -3.029 4.968 12.293) 13.601 89.897 ( 10.127 -11.627 -8.549) 17.630 89.897 ( 10.127 11.627 -8.549) 17.630 90.108 ( -11.573 -18.799 -9.773) 24.142 90.108 ( -11.573 18.799 -9.773) 24.142 ======================= Grid point 162 (51/75) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.000 0.000 15.193) 15.193 0.749 ( 0.000 0.000 15.904) 15.904 0.981 ( 0.000 0.000 -12.016) 12.016 1.042 ( 0.000 0.000 -12.220) 12.220 1.678 ( 0.000 0.000 36.216) 36.216 2.246 ( 0.000 0.000 4.014) 4.014 2.336 ( 0.000 0.000 -26.614) 26.614 2.342 ( 0.000 0.000 -4.971) 4.971 3.012 ( 0.000 0.000 15.826) 15.826 3.118 ( 0.000 0.000 3.682) 3.682 3.360 ( 0.000 0.000 -3.111) 3.111 3.361 ( 0.000 0.000 6.465) 6.465 3.497 ( 0.000 0.000 -6.187) 6.187 3.504 ( 0.000 0.000 -13.774) 13.774 4.089 ( 0.000 0.000 1.309) 1.309 4.185 ( 0.000 0.000 -6.492) 6.492 4.482 ( 0.000 0.000 16.124) 16.124 4.818 ( 0.000 0.000 -14.885) 14.885 4.823 ( 0.000 0.000 -1.385) 1.385 4.836 ( 0.000 0.000 -2.204) 2.204 5.012 ( 0.000 0.000 4.810) 4.810 5.073 ( 0.000 0.000 -0.593) 0.593 5.466 ( 0.000 0.000 5.592) 5.592 5.515 ( 0.000 0.000 0.775) 0.775 6.035 ( 0.000 0.000 3.010) 3.010 6.078 ( 0.000 0.000 -0.887) 0.887 6.235 ( 0.000 0.000 -0.148) 0.148 6.246 ( 0.000 0.000 -1.139) 1.139 6.592 ( 0.000 0.000 0.262) 0.262 6.601 ( 0.000 0.000 -1.005) 1.005 6.978 ( 0.000 0.000 2.890) 2.890 7.054 ( 0.000 0.000 -3.994) 3.994 7.070 ( 0.000 0.000 7.569) 7.569 7.243 ( 0.000 0.000 -8.502) 8.502 7.284 ( 0.000 0.000 1.009) 1.009 7.296 ( 0.000 0.000 -0.145) 0.145 10.742 ( 0.000 0.000 0.628) 0.628 10.752 ( 0.000 0.000 -0.269) 0.269 11.078 ( 0.000 0.000 -0.908) 0.908 11.090 ( 0.000 0.000 -1.858) 1.858 11.216 ( 0.000 0.000 2.225) 2.225 11.271 ( 0.000 0.000 -2.959) 2.959 11.631 ( 0.000 0.000 3.398) 3.398 11.712 ( 0.000 0.000 -3.801) 3.801 12.109 ( 0.000 0.000 2.436) 2.436 12.114 ( 0.000 0.000 2.191) 2.191 12.674 ( 0.000 0.000 1.361) 1.361 12.700 ( 0.000 0.000 2.443) 2.443 12.705 ( 0.000 0.000 -1.342) 1.342 12.800 ( 0.000 0.000 -6.625) 6.625 15.402 ( 0.000 0.000 2.125) 2.125 15.439 ( 0.000 0.000 -1.359) 1.359 22.047 ( 0.000 0.000 2.373) 2.373 22.095 ( 0.000 0.000 -2.005) 2.005 22.949 ( 0.000 0.000 0.473) 0.473 22.960 ( 0.000 0.000 -0.554) 0.554 22.972 ( 0.000 0.000 2.535) 2.535 23.034 ( 0.000 0.000 -3.427) 3.427 23.518 ( 0.000 0.000 0.307) 0.307 23.525 ( 0.000 0.000 -0.408) 0.408 24.128 ( 0.000 0.000 22.306) 22.306 24.129 ( 0.000 0.000 4.578) 4.578 24.215 ( 0.000 0.000 -3.451) 3.451 24.659 ( 0.000 0.000 -28.230) 28.230 25.416 ( 0.000 0.000 0.426) 0.426 25.423 ( 0.000 0.000 -0.225) 0.225 27.789 ( 0.000 0.000 27.912) 27.912 28.313 ( 0.000 0.000 -22.081) 22.081 29.832 ( 0.000 0.000 1.600) 1.600 29.862 ( 0.000 0.000 -1.230) 1.230 30.628 ( 0.000 0.000 0.272) 0.272 30.635 ( 0.000 0.000 -0.355) 0.355 30.830 ( 0.000 0.000 0.148) 0.148 30.833 ( 0.000 0.000 -0.109) 0.109 30.976 ( 0.000 0.000 5.811) 5.811 31.098 ( 0.000 0.000 -5.606) 5.606 88.938 ( 0.000 0.000 1.776) 1.776 88.973 ( 0.000 0.000 -1.525) 1.525 89.003 ( 0.000 0.000 0.954) 0.954 89.021 ( 0.000 0.000 -0.730) 0.730 89.254 ( 0.000 0.000 4.051) 4.051 89.341 ( 0.000 0.000 -4.100) 4.100 94.448 ( 0.000 0.000 0.173) 0.173 94.453 ( 0.000 0.000 -0.290) 0.290 ======================= Grid point 163 (52/75) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 11.032 0.000 12.161) 16.419 0.889 ( 13.340 0.000 10.648) 17.069 1.080 ( 9.548 0.000 -9.488) 13.461 1.144 ( 10.138 0.000 -9.382) 13.813 1.719 ( 4.161 0.000 34.348) 34.599 2.231 ( -1.557 0.000 5.493) 5.710 2.337 ( 0.447 0.000 -15.693) 15.700 2.363 ( 1.581 0.000 -15.691) 15.770 2.969 ( -3.852 0.000 12.344) 12.931 3.057 ( -6.117 0.000 3.381) 6.989 3.230 ( -10.266 0.000 1.767) 10.417 3.280 ( -7.741 0.000 -4.282) 8.847 3.531 ( 3.014 0.000 -2.443) 3.880 3.583 ( 4.909 0.000 -7.344) 8.834 4.043 ( -3.422 0.000 0.973) 3.558 4.130 ( -4.513 0.000 -6.114) 7.599 4.511 ( 1.590 0.000 14.443) 14.531 4.777 ( -4.466 0.000 -6.846) 8.174 4.857 ( 1.984 0.000 -1.285) 2.364 4.892 ( 2.270 0.000 -5.592) 6.035 4.991 ( 2.088 0.000 1.758) 2.730 5.061 ( -0.638 0.000 -1.919) 2.023 5.490 ( 2.004 0.000 7.657) 7.915 5.590 ( 6.604 0.000 -1.372) 6.745 5.951 ( -6.304 0.000 3.529) 7.225 6.042 ( -3.091 0.000 -4.520) 5.476 6.246 ( 2.472 0.000 2.005) 3.183 6.279 ( 3.415 0.000 -1.152) 3.604 6.681 ( 6.419 0.000 0.064) 6.420 6.692 ( 7.983 0.000 -0.822) 8.026 6.926 ( -5.259 0.000 0.997) 5.353 6.935 ( -7.219 0.000 1.039) 7.293 7.133 ( 1.780 0.000 0.949) 2.017 7.178 ( -3.639 0.000 -2.105) 4.204 7.281 ( -0.499 0.000 1.387) 1.474 7.314 ( -0.338 0.000 -1.785) 1.817 10.737 ( 1.171 0.000 0.128) 1.178 10.747 ( 0.531 0.000 -0.641) 0.832 11.200 ( -1.413 0.000 2.323) 2.719 11.221 ( 11.938 0.000 2.428) 12.183 11.255 ( -1.490 0.000 -2.924) 3.281 11.356 ( 18.734 0.000 -11.483) 21.973 11.637 ( 0.631 0.000 3.124) 3.187 11.715 ( 0.271 0.000 -3.761) 3.771 12.123 ( 1.479 0.000 2.597) 2.988 12.136 ( 2.087 0.000 1.723) 2.706 12.688 ( -1.333 0.000 2.465) 2.802 12.780 ( -1.293 0.000 -5.711) 5.856 12.789 ( 12.068 0.000 4.278) 12.804 12.936 ( 22.598 0.000 -11.586) 25.395 15.381 ( -2.533 0.000 3.004) 3.929 15.438 ( -0.602 0.000 -2.342) 2.418 22.075 ( 2.805 0.000 2.122) 3.517 22.117 ( 2.254 0.000 -1.741) 2.848 22.910 ( -3.791 0.000 0.422) 3.815 22.919 ( -4.063 0.000 -0.425) 4.085 22.992 ( 1.836 0.000 3.268) 3.749 23.082 ( 4.434 0.000 -5.832) 7.326 23.519 ( -0.679 0.000 0.524) 0.858 23.535 ( 1.533 0.000 -0.983) 1.822 24.077 ( -1.740 0.000 11.989) 12.115 24.203 ( 3.987 0.000 14.097) 14.650 24.212 ( -0.105 0.000 -4.143) 4.144 24.660 ( -0.133 0.000 -25.727) 25.727 25.444 ( 2.898 0.000 1.128) 3.110 25.469 ( 4.752 0.000 -1.432) 4.963 27.621 ( -16.178 0.000 21.598) 26.985 27.934 ( -33.862 0.000 -5.601) 34.322 29.843 ( 1.507 0.000 1.677) 2.255 29.876 ( 1.549 0.000 -1.382) 2.076 30.576 ( -5.022 0.000 0.039) 5.022 30.576 ( -4.577 0.000 -0.030) 4.578 30.874 ( 3.561 0.000 0.596) 3.610 30.886 ( 4.784 0.000 -0.599) 4.822 31.010 ( 2.938 0.000 6.489) 7.123 31.164 ( 4.959 0.000 -8.428) 9.778 88.896 ( -2.271 0.000 2.779) 3.589 88.949 ( -1.518 0.000 -2.145) 2.627 89.039 ( 0.971 0.000 0.359) 1.035 89.046 ( 2.546 0.000 -0.253) 2.559 89.263 ( 0.999 0.000 4.678) 4.783 89.367 ( 2.816 0.000 -5.009) 5.746 93.557 ( -77.314 0.000 34.203) 84.542 93.978 ( -44.932 0.000 -11.322) 46.337 ======================= Grid point 164 (53/75) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 16.732 0.000 8.738) 18.876 1.208 ( 18.231 0.000 2.383) 18.386 1.322 ( 15.065 0.000 -3.686) 15.509 1.405 ( 16.114 0.000 -6.077) 17.222 1.831 ( 7.253 0.000 28.830) 29.729 2.184 ( -3.305 0.000 8.704) 9.310 2.347 ( 0.239 0.000 -10.435) 10.438 2.394 ( 1.584 0.000 -20.314) 20.376 2.869 ( -6.753 0.000 4.635) 8.191 2.893 ( -10.497 0.000 3.609) 11.100 3.003 ( -13.049 0.000 1.183) 13.103 3.079 ( -12.727 0.000 -4.620) 13.539 3.607 ( 4.898 0.000 1.056) 5.010 3.659 ( 3.083 0.000 -2.887) 4.224 3.994 ( -1.541 0.000 -0.214) 1.556 4.050 ( -3.236 0.000 -4.834) 5.817 4.516 ( -0.594 0.000 8.474) 8.495 4.659 ( -7.079 0.000 -4.364) 8.317 4.832 ( -5.309 0.000 4.893) 7.220 4.869 ( -1.927 0.000 0.060) 1.928 5.088 ( 4.005 0.000 -1.427) 4.251 5.129 ( 8.320 0.000 -7.204) 11.006 5.517 ( -0.001 0.000 9.040) 9.040 5.692 ( 0.415 0.000 -7.208) 7.220 5.887 ( 2.955 0.000 6.129) 6.804 6.010 ( 0.906 0.000 -5.328) 5.404 6.338 ( 6.611 0.000 2.550) 7.086 6.377 ( 6.627 0.000 -1.517) 6.798 6.736 ( -5.051 0.000 1.506) 5.271 6.787 ( -6.771 0.000 -2.945) 7.384 6.848 ( 5.673 0.000 0.734) 5.721 6.859 ( 3.234 0.000 0.091) 3.235 7.125 ( -2.287 0.000 0.962) 2.481 7.136 ( -1.356 0.000 -0.263) 1.381 7.260 ( -1.610 0.000 1.052) 1.923 7.278 ( -3.113 0.000 -0.154) 3.117 10.788 ( 3.567 0.000 -0.365) 3.586 10.792 ( 4.143 0.000 -0.739) 4.209 11.161 ( -2.367 0.000 2.250) 3.266 11.215 ( -2.582 0.000 -2.818) 3.822 11.450 ( 10.183 0.000 4.353) 11.074 11.609 ( 6.260 0.000 -7.936) 10.108 11.660 ( 2.367 0.000 -1.014) 2.575 11.719 ( 0.039 0.000 -3.569) 3.569 12.171 ( 3.686 0.000 2.072) 4.228 12.190 ( 3.508 0.000 0.793) 3.596 12.648 ( -2.741 0.000 2.401) 3.644 12.734 ( -3.327 0.000 -5.273) 6.234 13.136 ( 23.171 0.000 11.060) 25.675 13.492 ( 31.239 0.000 -25.648) 40.419 15.284 ( -8.105 0.000 5.188) 9.623 15.389 ( -5.122 0.000 -4.629) 6.904 22.152 ( 5.041 0.000 1.449) 5.246 22.179 ( 4.171 0.000 -1.079) 4.308 22.811 ( -6.239 0.000 0.076) 6.240 22.814 ( -6.580 0.000 -0.187) 6.583 23.041 ( 3.217 0.000 5.135) 6.059 23.182 ( 5.470 0.000 -8.908) 10.453 23.493 ( -2.188 0.000 2.784) 3.541 23.562 ( 0.680 0.000 -3.722) 3.783 24.068 ( 0.928 0.000 9.995) 10.038 24.222 ( 1.370 0.000 -5.502) 5.670 24.271 ( 2.714 0.000 13.235) 13.511 24.641 ( -2.037 0.000 -20.157) 20.260 25.530 ( 6.024 0.000 3.400) 6.918 25.605 ( 9.218 0.000 -4.101) 10.089 27.229 ( -35.363 0.000 12.604) 37.542 27.231 ( -22.537 0.000 9.419) 24.426 29.895 ( 3.804 0.000 1.286) 4.015 29.925 ( 3.481 0.000 -1.397) 3.751 30.467 ( -6.031 0.000 0.291) 6.038 30.474 ( -5.806 0.000 -0.360) 5.817 30.952 ( 4.210 0.000 1.830) 4.591 30.989 ( 5.492 0.000 -1.686) 5.745 31.068 ( 2.706 0.000 6.980) 7.486 31.239 ( 2.449 0.000 -9.296) 9.614 88.883 ( 1.125 0.000 3.117) 3.314 88.933 ( 0.046 0.000 -1.754) 1.755 89.046 ( -0.297 0.000 1.644) 1.671 89.080 ( 0.901 0.000 -1.567) 1.807 89.301 ( 3.309 0.000 7.115) 7.847 89.466 ( 8.035 0.000 -8.139) 11.437 92.050 ( -70.633 0.000 58.589) 91.770 92.914 ( -60.167 0.000 -27.919) 66.329 ======================= Grid point 165 (54/75) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 17.272 0.000 8.372) 19.194 1.555 ( 17.454 0.000 -3.984) 17.903 1.652 ( 18.636 0.000 2.731) 18.835 1.739 ( 17.855 0.000 -3.427) 18.181 1.989 ( 8.487 0.000 19.829) 21.569 2.105 ( -4.437 0.000 11.541) 12.364 2.324 ( -3.520 0.000 -9.008) 9.671 2.424 ( 1.429 0.000 -19.405) 19.458 2.666 ( -12.736 0.000 4.373) 13.465 2.698 ( -10.921 0.000 -0.204) 10.923 2.741 ( -13.151 0.000 -0.378) 13.156 2.803 ( -15.456 0.000 -4.635) 16.136 3.716 ( 6.192 0.000 0.123) 6.193 3.717 ( 3.323 0.000 0.064) 3.324 3.963 ( -2.385 0.000 0.505) 2.438 4.006 ( -1.851 0.000 -3.734) 4.168 4.520 ( 1.595 0.000 1.955) 2.523 4.538 ( -4.536 0.000 0.283) 4.544 4.718 ( -6.301 0.000 6.366) 8.957 4.794 ( -5.125 0.000 -0.870) 5.198 5.190 ( 5.741 0.000 1.186) 5.862 5.274 ( 6.583 0.000 -6.815) 9.475 5.480 ( -3.486 0.000 6.523) 7.396 5.615 ( -5.835 0.000 -5.622) 8.103 6.045 ( 10.518 0.000 1.665) 10.650 6.086 ( 6.453 0.000 -2.064) 6.775 6.478 ( 5.781 0.000 4.558) 7.362 6.521 ( 7.098 0.000 0.030) 7.098 6.603 ( -5.256 0.000 -1.822) 5.563 6.635 ( -7.156 0.000 -4.547) 8.479 6.931 ( 1.322 0.000 1.423) 1.943 6.938 ( 1.805 0.000 0.643) 1.917 7.081 ( -1.589 0.000 0.777) 1.769 7.096 ( -1.499 0.000 -0.725) 1.665 7.211 ( -3.366 0.000 1.411) 3.650 7.223 ( -2.159 0.000 0.086) 2.161 10.873 ( 4.965 0.000 0.041) 4.966 10.886 ( 5.359 0.000 -1.102) 5.471 11.111 ( -2.807 0.000 1.880) 3.379 11.157 ( -3.385 0.000 -2.437) 4.171 11.597 ( 5.247 0.000 2.436) 5.785 11.655 ( 1.107 0.000 0.638) 1.278 11.707 ( 0.951 0.000 -5.734) 5.812 11.714 ( -0.563 0.000 -2.996) 3.048 12.267 ( 6.152 0.000 0.255) 6.157 12.272 ( 4.926 0.000 0.396) 4.942 12.581 ( -4.215 0.000 2.083) 4.701 12.652 ( -5.199 0.000 -4.289) 6.740 13.642 ( 28.145 0.000 15.234) 32.004 14.063 ( 27.307 0.000 -25.949) 37.669 15.054 ( -15.823 0.000 8.106) 17.778 15.226 ( -11.816 0.000 -7.971) 14.253 22.264 ( 6.391 0.000 0.616) 6.421 22.275 ( 5.606 0.000 -0.361) 5.617 22.675 ( -7.523 0.000 0.029) 7.523 22.678 ( -7.310 0.000 -0.199) 7.313 23.116 ( 4.601 0.000 6.746) 8.166 23.286 ( 5.294 0.000 -9.454) 10.836 23.430 ( -4.339 0.000 5.150) 6.734 23.547 ( -2.237 0.000 -5.681) 6.106 24.114 ( 3.613 0.000 7.814) 8.609 24.271 ( 3.796 0.000 -6.816) 7.802 24.298 ( -0.102 0.000 10.809) 10.810 24.578 ( -4.456 0.000 -14.663) 15.325 25.679 ( 9.448 0.000 7.209) 11.884 25.818 ( 12.725 0.000 -6.307) 14.202 26.631 ( -26.306 0.000 17.463) 31.575 26.800 ( -21.398 0.000 -0.133) 21.398 29.986 ( 5.390 0.000 0.915) 5.467 30.008 ( 5.075 0.000 -1.192) 5.213 30.347 ( -6.362 0.000 0.404) 6.374 30.357 ( -6.199 0.000 -0.578) 6.226 31.028 ( 3.555 0.000 3.012) 4.659 31.091 ( 4.946 0.000 -2.914) 5.741 31.106 ( 1.178 0.000 6.445) 6.552 31.259 ( -0.240 0.000 -7.888) 7.892 88.935 ( 3.744 0.000 1.528) 4.043 88.947 ( 1.184 0.000 0.012) 1.184 89.030 ( -1.229 0.000 2.443) 2.735 89.081 ( -0.706 0.000 -2.335) 2.440 89.413 ( 9.029 0.000 13.111) 15.920 89.704 ( 17.302 0.000 -13.736) 22.092 90.914 ( -47.711 0.000 51.272) 70.037 91.788 ( -54.523 0.000 -32.635) 63.544 ======================= Grid point 166 (55/75) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 13.894 0.000 11.486) 18.027 1.882 ( 16.216 0.000 -4.209) 16.754 1.944 ( -7.525 0.000 13.976) 15.873 2.011 ( 17.125 0.000 3.686) 17.517 2.093 ( 15.377 0.000 -1.254) 15.428 2.179 ( -10.751 0.000 -6.785) 12.713 2.194 ( 9.135 0.000 7.499) 11.819 2.357 ( -14.544 0.000 0.330) 14.547 2.461 ( -12.341 0.000 -0.637) 12.357 2.487 ( 0.638 0.000 -10.628) 10.647 2.506 ( -14.007 0.000 -3.856) 14.529 2.552 ( -5.889 0.000 -6.270) 8.602 3.796 ( 4.795 0.000 1.303) 4.969 3.839 ( 6.352 0.000 -2.693) 6.900 3.892 ( -4.739 0.000 1.576) 4.994 3.948 ( -4.519 0.000 -3.964) 6.011 4.513 ( 2.084 0.000 5.188) 5.591 4.583 ( 4.690 0.000 -1.309) 4.869 4.597 ( -5.902 0.000 6.808) 9.010 4.687 ( -5.710 0.000 -1.554) 5.917 5.297 ( 5.372 0.000 2.630) 5.982 5.390 ( 5.694 0.000 -5.857) 8.169 5.397 ( -4.871 0.000 4.098) 6.366 5.500 ( -5.828 0.000 -5.266) 7.855 6.235 ( 8.445 0.000 0.544) 8.462 6.250 ( 10.438 0.000 -0.956) 10.481 6.400 ( -8.371 0.000 2.468) 8.727 6.442 ( -9.318 0.000 -1.572) 9.449 6.696 ( 9.124 0.000 -0.365) 9.131 6.713 ( 8.966 0.000 -2.033) 9.194 6.862 ( -7.301 0.000 0.903) 7.356 6.875 ( -7.095 0.000 -0.380) 7.105 7.100 ( 2.645 0.000 1.411) 2.998 7.119 ( 2.939 0.000 -0.421) 2.969 7.153 ( -2.764 0.000 1.992) 3.407 7.176 ( -2.738 0.000 -0.249) 2.749 10.969 ( 4.703 0.000 0.546) 4.735 10.990 ( 5.231 0.000 -1.395) 5.414 11.050 ( -3.633 0.000 1.220) 3.833 11.083 ( -4.333 0.000 -1.868) 4.719 11.666 ( 2.286 0.000 -0.051) 2.286 11.677 ( 1.255 0.000 -0.452) 1.334 11.698 ( -1.160 0.000 -1.856) 2.189 11.702 ( -1.087 0.000 -2.674) 2.887 12.377 ( 5.790 0.000 0.763) 5.840 12.399 ( 7.216 0.000 -1.582) 7.387 12.487 ( -5.438 0.000 1.464) 5.632 12.536 ( -6.715 0.000 -3.052) 7.376 14.186 ( 27.420 0.000 14.596) 31.063 14.545 ( 22.667 0.000 -19.697) 30.029 14.677 ( -22.910 0.000 11.517) 25.642 14.938 ( -17.852 0.000 -13.037) 22.106 22.394 ( 6.667 0.000 0.080) 6.667 22.394 ( 7.065 0.000 -0.019) 7.065 22.530 ( -7.391 0.000 0.165) 7.393 22.535 ( -7.411 0.000 -0.270) 7.416 23.217 ( 5.733 0.000 7.330) 9.306 23.330 ( -5.778 0.000 6.750) 8.886 23.387 ( 5.153 0.000 -8.466) 9.911 23.481 ( -4.398 0.000 -7.050) 8.309 24.194 ( 4.331 0.000 6.995) 8.228 24.267 ( -2.913 0.000 8.235) 8.735 24.364 ( 5.556 0.000 -8.299) 9.987 24.476 ( -5.811 0.000 -10.709) 12.184 25.897 ( 13.333 0.000 11.720) 17.752 26.091 ( 15.455 0.000 -6.904) 16.927 26.202 ( -18.557 0.000 15.718) 24.319 26.416 ( -18.271 0.000 -5.213) 19.000 30.099 ( 6.229 0.000 0.672) 6.265 30.116 ( 5.996 0.000 -0.961) 6.072 30.222 ( -6.478 0.000 0.515) 6.498 30.236 ( -6.301 0.000 -0.762) 6.347 31.085 ( 2.232 0.000 4.176) 4.735 31.112 ( -0.574 0.000 5.367) 5.398 31.176 ( 3.798 0.000 -4.386) 5.802 31.235 ( -2.233 0.000 -6.082) 6.479 88.973 ( 1.483 0.000 1.725) 2.275 89.003 ( -1.536 0.000 2.529) 2.959 89.005 ( 3.227 0.000 -1.087) 3.405 89.055 ( -1.942 0.000 -2.342) 3.042 89.679 ( 19.011 0.000 23.427) 30.170 90.153 ( 29.467 0.000 -20.872) 36.110 90.161 ( -31.319 0.000 36.618) 48.185 90.847 ( -42.466 0.000 -28.208) 50.981 ======================= Grid point 171 (56/75) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 17.552 12.286) 21.425 0.936 ( 0.000 15.344 10.293) 18.477 1.132 ( 0.000 8.565 -8.202) 11.859 1.152 ( 0.000 14.792 -10.717) 18.266 1.723 ( 0.000 4.346 34.800) 35.070 2.230 ( 0.000 -1.530 3.596) 3.908 2.316 ( 0.000 -2.461 -4.297) 4.952 2.355 ( 0.000 1.801 -25.193) 25.258 3.019 ( 0.000 0.772 12.852) 12.875 3.065 ( 0.000 -5.033 4.415) 6.696 3.282 ( 0.000 -7.413 7.030) 10.216 3.316 ( 0.000 -3.563 0.337) 3.578 3.427 ( 0.000 -6.514 -6.511) 9.210 3.538 ( 0.000 3.077 -16.025) 16.318 4.129 ( 0.000 3.744 1.622) 4.081 4.221 ( 0.000 3.253 -6.092) 6.906 4.417 ( 0.000 -6.021 14.590) 15.784 4.703 ( 0.000 -8.851 -10.773) 13.943 4.815 ( 0.000 -0.761 -1.722) 1.883 4.827 ( 0.000 -2.003 -3.999) 4.473 5.072 ( 0.000 5.567 4.613) 7.230 5.126 ( 0.000 4.798 -0.234) 4.804 5.500 ( 0.000 2.447 4.730) 5.325 5.540 ( 0.000 2.114 0.769) 2.250 5.947 ( 0.000 -2.388 4.052) 4.704 6.048 ( 0.000 -3.092 -5.072) 5.941 6.397 ( 0.000 13.107 0.489) 13.116 6.412 ( 0.000 10.183 -0.580) 10.199 6.593 ( 0.000 -0.070 -0.155) 0.170 6.603 ( 0.000 0.080 -1.093) 1.096 6.942 ( 0.000 -3.380 3.261) 4.696 7.018 ( 0.000 -3.569 -3.624) 5.087 7.045 ( 0.000 -2.007 5.632) 5.979 7.166 ( 0.000 -5.577 -5.095) 7.554 7.273 ( 0.000 -0.878 0.580) 1.052 7.280 ( 0.000 -1.477 -0.053) 1.478 10.755 ( 0.000 1.471 0.760) 1.656 10.774 ( 0.000 1.984 -0.838) 2.153 11.061 ( 0.000 -1.601 -0.705) 1.749 11.074 ( 0.000 -1.499 -1.801) 2.343 11.434 ( 0.000 13.152 -0.119) 13.153 11.496 ( 0.000 18.204 -7.652) 19.747 11.636 ( 0.000 0.501 2.776) 2.820 11.710 ( 0.000 -0.123 -3.810) 3.812 12.080 ( 0.000 -1.097 3.712) 3.870 12.143 ( 0.000 0.740 -1.394) 1.578 12.661 ( 0.000 -1.283 1.718) 2.145 12.696 ( 0.000 -1.000 -1.298) 1.639 12.934 ( 0.000 17.251 2.150) 17.384 13.086 ( 0.000 30.782 -13.576) 33.643 15.375 ( 0.000 -2.667 1.113) 2.890 15.393 ( 0.000 -4.567 -0.546) 4.600 22.117 ( 0.000 5.288 0.884) 5.362 22.152 ( 0.000 6.205 -2.317) 6.624 22.934 ( 0.000 -3.365 3.743) 5.033 22.960 ( 0.000 1.053 0.653) 1.240 22.975 ( 0.000 1.433 -0.734) 1.610 23.021 ( 0.000 -1.490 -4.492) 4.733 23.486 ( 0.000 -2.662 1.048) 2.861 23.508 ( 0.000 -2.059 -0.981) 2.280 24.132 ( 0.000 0.324 21.734) 21.736 24.137 ( 0.000 0.787 3.651) 3.735 24.205 ( 0.000 -0.896 -2.700) 2.844 24.648 ( 0.000 -1.177 -27.372) 27.397 25.446 ( 0.000 2.288 0.733) 2.402 25.461 ( 0.000 4.243 -0.566) 4.280 27.478 ( 0.000 -27.467 24.843) 37.036 27.830 ( 0.000 -35.308 -7.263) 36.047 29.956 ( 0.000 10.259 3.817) 10.946 30.057 ( 0.000 12.712 -6.291) 14.183 30.636 ( 0.000 0.798 0.562) 0.976 30.648 ( 0.000 1.096 -0.561) 1.231 30.819 ( 0.000 -0.975 0.405) 1.056 30.827 ( 0.000 -0.662 -0.287) 0.722 30.951 ( 0.000 -2.372 5.407) 5.904 31.065 ( 0.000 -3.130 -5.248) 6.111 88.957 ( 0.000 2.060 2.977) 3.620 88.966 ( 0.000 -1.051 5.711) 5.807 89.009 ( 0.000 3.334 -1.470) 3.644 89.089 ( 0.000 3.839 -5.739) 6.905 89.271 ( 0.000 1.769 3.165) 3.626 89.355 ( 0.000 1.334 -4.356) 4.555 93.429 ( 0.000 -79.964 36.246) 87.795 93.889 ( 0.000 -49.662 -12.638) 51.245 ======================= Grid point 172 (57/75) ======================= q-point: ( 0.11 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 0.893 7.871 13.450) 15.609 1.073 ( 1.351 6.012 -10.289) 11.993 1.185 ( 15.047 16.741 7.811) 23.826 1.344 ( 12.948 14.438 -7.265) 20.710 1.769 ( 4.694 4.818 32.352) 33.044 2.216 ( -1.445 -1.432 4.579) 5.011 2.321 ( 0.486 -2.173 -5.892) 6.299 2.375 ( 1.799 1.744 -23.019) 23.155 2.952 ( -8.535 -3.684 7.217) 11.769 3.000 ( -5.617 -4.984 3.595) 8.326 3.146 ( -8.631 -5.144 6.664) 12.057 3.280 ( -4.681 -1.235 -3.548) 6.003 3.488 ( 4.674 -3.486 -0.790) 5.885 3.606 ( 5.011 1.980 -11.099) 12.338 4.066 ( -4.710 2.225 2.545) 5.798 4.166 ( -4.345 2.983 -6.316) 8.226 4.468 ( 3.249 -3.966 13.012) 13.985 4.733 ( -1.176 -5.463 -10.320) 11.736 4.815 ( 1.457 -2.692 0.355) 3.082 4.861 ( 3.583 -2.728 -4.792) 6.576 5.045 ( -1.204 5.547 4.448) 7.211 5.117 ( -0.592 5.040 -1.532) 5.300 5.517 ( 1.347 2.041 6.270) 6.730 5.600 ( 5.514 0.801 -0.946) 5.652 5.930 ( -2.060 -0.621 3.609) 4.201 6.023 ( -1.914 -1.267 -4.776) 5.299 6.329 ( -3.104 6.128 1.730) 7.084 6.366 ( -1.374 6.454 -1.646) 6.801 6.691 ( 5.934 0.737 0.565) 6.007 6.712 ( 7.461 1.537 -1.175) 7.708 6.898 ( -4.071 -2.297 1.863) 5.032 6.928 ( -5.324 -0.540 -0.437) 5.369 7.085 ( 0.908 -4.152 1.189) 4.413 7.128 ( -2.513 -4.045 -2.099) 5.204 7.278 ( 0.224 -0.233 0.808) 0.870 7.295 ( 0.490 -1.534 -0.702) 1.757 10.733 ( -0.367 0.754 0.520) 0.987 10.751 ( -0.341 0.885 -1.048) 1.413 11.164 ( 7.347 -2.485 0.482) 7.771 11.183 ( 5.953 -2.061 -0.806) 6.351 11.440 ( 1.237 12.402 0.469) 12.472 11.529 ( 3.530 11.583 -8.803) 14.970 11.643 ( 0.702 0.811 2.039) 2.304 11.715 ( 0.438 0.076 -4.204) 4.228 12.096 ( 1.964 -0.830 3.250) 3.887 12.154 ( 1.349 0.478 -1.456) 2.042 12.733 ( 4.594 -0.623 1.925) 5.020 12.766 ( 5.363 0.013 -0.414) 5.379 12.964 ( 4.392 16.171 4.539) 17.361 13.207 ( 14.280 26.648 -20.588) 36.578 15.349 ( -2.982 -3.107 1.980) 4.740 15.387 ( -1.038 -4.990 -1.542) 5.326 22.139 ( 2.214 4.996 1.181) 5.591 22.174 ( 2.277 6.021 -2.104) 6.772 22.914 ( -3.066 -0.127 1.211) 3.299 22.934 ( -3.952 1.250 -0.712) 4.205 22.967 ( 1.649 -1.587 3.424) 4.119 23.066 ( 4.212 -1.542 -6.164) 7.624 23.486 ( -0.370 -2.792 1.344) 3.121 23.518 ( 1.098 -2.050 -1.591) 2.818 24.088 ( -1.498 1.064 11.531) 11.677 24.200 ( 2.280 -0.518 7.259) 7.627 24.207 ( 1.468 -0.235 2.522) 2.928 24.646 ( -0.366 -1.401 -24.972) 25.014 25.483 ( 2.852 3.173 0.259) 4.274 25.490 ( 3.978 2.618 -0.589) 4.798 27.332 ( -14.486 -25.705 21.839) 36.708 27.588 ( -22.081 -26.315 -1.316) 34.377 29.959 ( 0.563 9.654 3.037) 10.136 30.031 ( -1.537 11.407 -3.901) 12.153 30.587 ( -4.345 1.184 0.327) 4.515 30.593 ( -4.579 1.389 -0.227) 4.790 30.864 ( 3.390 -0.961 0.575) 3.570 30.875 ( 4.520 -1.100 -0.486) 4.677 30.982 ( 2.760 -2.579 5.955) 7.052 31.121 ( 4.403 -3.930 -7.275) 9.368 88.917 ( -1.866 1.900 4.264) 5.027 88.959 ( -1.115 1.131 0.986) 1.869 89.035 ( 1.639 1.818 1.531) 2.887 89.110 ( 1.609 3.861 -4.964) 6.491 89.280 ( 1.017 1.801 3.671) 4.213 89.379 ( 2.657 1.155 -5.202) 5.954 92.820 ( -54.547 -59.876 50.098) 95.238 93.495 ( -37.776 -42.872 -19.868) 60.496 ======================= Grid point 173 (58/75) ======================= q-point: ( 0.22 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 12.205 -3.500 11.005) 16.802 1.179 ( 9.270 -2.764 -9.998) 13.911 1.483 ( 14.870 13.273 9.543) 22.099 1.623 ( 15.553 13.638 -5.438) 21.388 1.904 ( 9.228 7.080 23.732) 26.429 2.174 ( -2.961 -1.018 7.347) 7.987 2.330 ( 0.197 -1.869 -7.234) 7.474 2.414 ( 1.975 2.024 -20.634) 20.827 2.727 ( -13.609 -9.732 4.442) 17.310 2.794 ( -14.261 -10.785 -1.355) 17.931 3.030 ( -4.916 4.333 6.988) 9.580 3.157 ( -7.860 3.893 -4.512) 9.864 3.587 ( 5.676 -1.079 2.461) 6.280 3.692 ( 3.641 2.277 -6.450) 7.749 3.990 ( -2.843 0.414 2.724) 3.959 4.091 ( -3.149 2.655 -6.279) 7.509 4.503 ( 0.582 -1.205 8.220) 8.329 4.651 ( -5.506 -0.843 -5.086) 7.542 4.841 ( -0.492 -2.647 1.943) 3.320 4.863 ( -3.744 1.466 1.965) 4.475 5.106 ( 5.830 0.818 -2.607) 6.438 5.133 ( 3.879 3.104 -3.456) 6.052 5.533 ( -0.289 1.289 7.939) 8.048 5.693 ( 1.349 0.051 -6.606) 6.742 5.900 ( 1.987 1.291 5.766) 6.234 6.012 ( 1.362 0.297 -4.629) 4.834 6.330 ( 3.188 -0.113 3.445) 4.695 6.398 ( 4.239 1.356 -2.784) 5.250 6.703 ( -5.393 -2.759 1.690) 6.289 6.754 ( -5.646 -2.768 -2.977) 6.957 6.869 ( 3.547 1.632 2.140) 4.453 6.901 ( 2.496 1.872 -0.855) 3.235 7.075 ( -1.382 -4.021 0.707) 4.310 7.092 ( -1.134 -2.475 -0.824) 2.844 7.273 ( -0.897 0.794 0.725) 1.400 7.283 ( -1.620 0.146 0.016) 1.626 10.769 ( 3.807 -0.392 0.079) 3.828 10.783 ( 3.620 0.089 -1.167) 3.804 11.220 ( -1.081 3.118 1.298) 3.546 11.244 ( 0.121 0.740 -0.911) 1.180 11.508 ( 5.333 5.707 1.806) 8.017 11.597 ( 2.530 -0.314 -4.308) 5.005 11.659 ( 0.815 0.180 -0.509) 0.978 11.722 ( 0.181 0.046 -5.170) 5.173 12.166 ( 5.366 0.898 1.611) 5.674 12.202 ( 3.746 0.971 -1.081) 4.018 12.746 ( -2.120 6.472 2.667) 7.314 12.812 ( -1.587 4.804 -3.075) 5.920 13.204 ( 20.076 8.173 12.850) 25.199 13.610 ( 24.595 11.711 -28.001) 39.065 15.243 ( -8.490 -3.901 4.172) 10.232 15.330 ( -5.439 -5.713 -3.889) 8.795 22.201 ( 4.210 4.227 1.625) 6.183 22.239 ( 4.295 5.756 -1.877) 7.423 22.827 ( -5.613 1.420 0.059) 5.790 22.831 ( -6.405 1.612 -0.249) 6.609 23.017 ( 3.340 -2.093 5.609) 6.856 23.163 ( 5.440 -1.745 -8.822) 10.510 23.464 ( -2.024 -2.658 3.134) 4.581 23.538 ( 0.440 -2.414 -3.737) 4.470 24.082 ( 1.020 1.386 9.363) 9.519 24.217 ( 1.497 -0.457 -4.459) 4.726 24.266 ( 2.591 -0.441 12.426) 12.701 24.624 ( -2.125 -1.671 -19.497) 19.684 25.558 ( 5.205 2.711 2.382) 6.334 25.613 ( 8.391 0.839 -3.187) 9.014 26.951 ( -23.513 -20.106 19.156) 36.388 27.124 ( -23.250 -13.042 1.778) 26.718 29.987 ( 2.555 8.114 1.865) 8.709 30.029 ( 1.457 8.701 -2.010) 9.049 30.489 ( -5.500 2.072 0.290) 5.885 30.495 ( -5.391 2.019 -0.305) 5.764 30.937 ( 3.949 -1.408 1.812) 4.567 30.972 ( 5.211 -1.583 -1.547) 5.662 31.038 ( 2.654 -2.806 6.380) 7.458 31.193 ( 2.570 -4.292 -8.190) 9.597 88.909 ( 1.262 2.490 4.088) 4.950 88.947 ( 0.073 1.448 0.656) 1.591 89.054 ( 0.255 1.639 2.704) 3.172 89.134 ( 0.716 4.151 -4.822) 6.403 89.317 ( 3.091 1.616 5.895) 6.850 89.473 ( 7.611 0.606 -8.159) 11.174 91.691 ( -56.094 -31.006 58.038) 86.466 92.588 ( -52.124 -29.423 -30.355) 67.112 ======================= Grid point 174 (59/75) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 17.324 -9.972 7.556) 21.369 1.410 ( 14.101 -9.069 -7.533) 18.380 1.734 ( 10.770 5.219 15.562) 19.632 1.930 ( 15.617 10.505 -5.354) 19.568 2.086 ( -2.079 2.094 10.145) 10.565 2.122 ( 7.386 5.349 8.539) 12.493 2.308 ( -3.275 -0.761 -6.163) 7.021 2.392 ( -9.738 -8.152 -6.795) 14.403 2.511 ( -2.524 -1.017 -5.448) 6.090 2.523 ( -11.403 -9.283 -3.051) 15.017 2.905 ( -8.428 9.290 2.773) 12.846 2.977 ( -10.751 8.936 -3.451) 14.400 3.705 ( 6.276 0.075 1.372) 6.424 3.755 ( 3.430 2.248 -2.953) 5.054 3.950 ( -1.834 -0.523 2.572) 3.202 4.036 ( -3.050 1.722 -5.323) 6.372 4.511 ( 0.356 -0.020 3.842) 3.858 4.569 ( -1.643 2.102 -1.384) 3.006 4.753 ( -6.315 2.826 5.290) 8.709 4.797 ( -4.212 -0.137 0.778) 4.285 5.201 ( 5.302 1.556 0.030) 5.525 5.262 ( 7.015 -0.559 -5.890) 9.177 5.495 ( -3.500 1.271 6.161) 7.199 5.629 ( -5.815 1.331 -5.869) 8.368 6.036 ( 9.809 -0.772 2.333) 10.113 6.084 ( 5.934 -0.096 -2.104) 6.297 6.432 ( 6.131 -3.703 5.121) 8.805 6.501 ( 4.619 -1.740 -0.726) 4.989 6.574 ( -5.720 -2.460 -1.151) 6.332 6.615 ( -6.891 -1.997 -4.799) 8.631 6.894 ( -2.792 -4.316 2.002) 5.517 6.914 ( -2.311 -3.720 -0.079) 4.380 7.069 ( 1.758 0.148 1.317) 2.202 7.099 ( 2.071 2.021 -1.349) 3.193 7.238 ( -2.515 1.738 1.084) 3.243 7.248 ( -1.945 1.585 0.151) 2.514 10.865 ( 5.796 0.020 0.034) 5.796 10.879 ( 5.975 0.266 -1.144) 6.089 11.171 ( -3.558 4.272 1.416) 5.737 11.204 ( -3.606 3.152 -1.517) 5.024 11.600 ( 3.565 0.312 0.410) 3.602 11.627 ( 1.020 -2.512 -0.727) 2.807 11.666 ( -0.209 -1.969 -1.217) 2.324 11.717 ( -0.781 -0.896 -5.143) 5.278 12.294 ( 7.094 2.909 0.248) 7.671 12.301 ( 6.847 3.187 -0.453) 7.566 12.676 ( -4.895 7.698 2.687) 9.510 12.740 ( -5.375 6.923 -2.974) 9.256 13.663 ( 26.016 2.387 15.523) 30.389 14.084 ( 23.781 2.169 -25.411) 34.870 15.010 ( -15.698 -4.137 7.135) 17.733 15.165 ( -11.622 -5.819 -7.302) 14.909 22.298 ( 5.663 3.460 1.771) 6.869 22.336 ( 5.624 5.348 -1.835) 7.975 22.696 ( -7.372 2.065 0.410) 7.667 22.707 ( -6.605 2.545 -0.699) 7.113 23.094 ( 4.702 -1.958 7.159) 8.786 23.267 ( 5.271 -1.764 -9.266) 10.805 23.405 ( -4.119 -2.379 5.216) 7.059 23.522 ( -2.158 -2.483 -5.522) 6.427 24.127 ( 3.414 1.267 7.254) 8.117 24.267 ( 3.704 -0.428 -5.806) 6.900 24.293 ( 0.098 -0.382 10.280) 10.288 24.561 ( -4.317 -1.578 -13.935) 14.674 25.687 ( 8.211 0.893 6.137) 10.290 25.808 ( 11.695 -0.889 -5.601) 12.998 26.504 ( -21.371 -10.881 18.230) 30.124 26.711 ( -19.713 -8.242 -2.525) 21.516 30.057 ( 4.486 6.477 1.086) 7.953 30.083 ( 3.888 6.598 -1.333) 7.773 30.380 ( -5.793 3.057 0.307) 6.557 30.388 ( -5.684 2.865 -0.480) 6.384 31.009 ( 3.322 -1.859 2.961) 4.823 31.068 ( 4.495 -2.183 -2.284) 5.494 31.077 ( 1.416 -2.704 5.517) 6.305 31.218 ( 0.100 -3.883 -7.185) 8.168 88.953 ( 1.966 1.817 2.791) 3.867 88.966 ( 2.482 1.915 2.699) 4.137 89.050 ( -0.295 2.422 2.171) 3.266 89.134 ( -0.676 4.479 -5.005) 6.751 89.418 ( 8.084 0.539 11.835) 14.342 89.697 ( 16.132 -0.765 -13.414) 20.994 90.751 ( -41.000 -14.691 48.501) 65.186 91.597 ( -48.636 -17.452 -32.352) 60.965 ======================= Grid point 175 (60/75) ======================= q-point: ( 0.44 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 17.893 -11.389 6.084) 22.066 1.701 ( 15.336 -12.285 -3.783) 20.011 1.873 ( -1.641 -5.227 14.274) 15.289 1.933 ( -9.169 -6.669 6.715) 13.177 2.082 ( -7.667 -6.922 -2.161) 10.554 2.143 ( -9.042 -6.390 7.590) 13.423 2.209 ( 9.808 3.977 -9.557) 14.260 2.343 ( -2.187 0.439 -8.079) 8.381 2.464 ( 9.905 10.608 1.911) 14.638 2.571 ( 6.082 8.278 -6.577) 12.197 2.707 ( -11.629 12.721 0.826) 17.255 2.756 ( -11.367 11.655 -2.997) 16.554 3.815 ( 4.820 1.441 0.205) 5.035 3.844 ( 5.871 0.450 -2.548) 6.415 3.898 ( -3.651 0.374 1.503) 3.966 3.957 ( -5.238 0.578 -4.152) 6.709 4.532 ( 2.934 1.793 5.606) 6.576 4.599 ( 1.997 1.839 1.277) 3.000 4.635 ( -4.014 2.918 3.738) 6.214 4.703 ( -5.168 1.290 -0.786) 5.384 5.307 ( 5.469 1.106 1.949) 5.911 5.389 ( 5.873 0.128 -5.061) 7.754 5.410 ( -4.655 1.206 3.230) 5.793 5.510 ( -6.276 0.942 -5.273) 8.251 6.221 ( 8.057 -1.243 0.813) 8.193 6.234 ( 9.856 -1.463 -0.257) 9.967 6.384 ( -7.793 -1.540 2.296) 8.269 6.425 ( -8.984 -1.519 -1.590) 9.249 6.619 ( 8.548 -5.809 1.218) 10.407 6.674 ( 7.681 -3.950 -3.640) 9.373 6.784 ( -7.746 -6.445 1.810) 10.238 6.819 ( -6.777 -5.184 -1.540) 8.671 7.126 ( 3.329 2.057 1.699) 4.266 7.151 ( 2.904 2.799 -0.610) 4.079 7.186 ( -2.863 2.259 1.549) 3.962 7.204 ( -2.517 2.156 -0.120) 3.316 10.981 ( 5.957 1.371 0.464) 6.130 11.001 ( 6.330 1.367 -1.248) 6.595 11.088 ( -4.955 3.069 0.980) 5.911 11.116 ( -5.344 2.668 -1.474) 6.153 11.635 ( 0.786 -2.402 0.301) 2.545 11.648 ( -0.125 -2.586 -0.696) 2.681 11.666 ( 1.274 -1.782 -2.285) 3.165 11.695 ( -1.391 -1.534 -4.116) 4.607 12.429 ( 7.166 4.971 1.236) 8.808 12.457 ( 8.399 5.237 -1.475) 10.007 12.564 ( -6.570 6.766 2.119) 9.666 12.613 ( -7.504 6.550 -2.360) 10.237 14.171 ( 25.927 -1.221 14.143) 29.559 14.515 ( 20.179 -2.742 -17.937) 27.138 14.644 ( -21.404 -3.132 9.814) 23.754 14.886 ( -16.998 -4.860 -12.357) 21.570 22.417 ( 6.661 2.929 1.571) 7.444 22.452 ( 6.321 4.612 -1.717) 8.011 22.553 ( -7.306 2.503 1.070) 7.797 22.578 ( -6.680 3.637 -1.322) 7.720 23.196 ( 5.702 -1.915 7.629) 9.715 23.307 ( -5.467 -2.146 6.856) 9.028 23.369 ( 4.875 -1.788 -8.323) 9.810 23.458 ( -4.185 -2.160 -6.949) 8.394 24.202 ( 3.997 0.754 6.572) 7.729 24.268 ( -2.570 0.121 7.861) 8.271 24.356 ( 5.326 -0.728 -7.404) 9.150 24.464 ( -5.563 -1.189 -9.876) 11.397 25.878 ( 11.679 -1.650 10.755) 15.962 26.059 ( 14.196 -2.891 -6.559) 15.903 26.144 ( -15.947 -5.148 15.047) 22.521 26.359 ( -16.802 -5.217 -5.771) 18.516 30.155 ( 5.554 5.173 0.631) 7.616 30.172 ( 5.183 5.084 -0.945) 7.322 30.266 ( -5.883 4.085 0.392) 7.173 30.278 ( -5.672 3.873 -0.672) 6.901 31.061 ( 2.033 -2.247 4.032) 5.044 31.085 ( -0.411 -2.571 5.076) 5.705 31.148 ( 3.468 -2.661 -4.126) 6.011 31.200 ( -1.878 -3.272 -5.656) 6.799 88.981 ( 1.271 1.229 4.137) 4.499 88.999 ( -0.195 1.020 4.892) 5.001 89.067 ( 2.253 4.467 -2.906) 5.785 89.110 ( -1.837 4.655 -4.769) 6.913 89.656 ( 17.059 -2.098 22.212) 28.086 90.075 ( -12.850 -6.666 21.728) 26.109 90.128 ( 12.059 -3.668 -7.281) 14.556 90.750 ( -38.613 -9.053 -27.503) 48.263 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 17.554 4.317) 18.077 1.328 ( 0.000 21.169 9.448) 23.181 1.373 ( 0.000 13.791 -3.328) 14.186 1.522 ( 0.000 19.229 -8.605) 21.066 1.850 ( 0.000 7.482 30.144) 31.058 2.179 ( 0.000 -3.551 2.767) 4.502 2.246 ( 0.000 -4.013 -2.950) 4.980 2.405 ( 0.000 2.823 -21.584) 21.768 2.900 ( 0.000 -9.934 6.533) 11.890 3.003 ( 0.000 -5.157 -1.471) 5.363 3.069 ( 0.000 -12.407 8.245) 14.896 3.238 ( 0.000 -11.299 -7.233) 13.416 3.287 ( 0.000 3.312 12.257) 12.696 3.630 ( 0.000 5.787 -18.063) 18.967 4.241 ( 0.000 -10.570 11.842) 15.873 4.242 ( 0.000 6.890 1.623) 7.079 4.315 ( 0.000 5.701 -4.835) 7.475 4.483 ( 0.000 -11.712 -10.534) 15.753 4.766 ( 0.000 -3.676 -1.104) 3.838 4.784 ( 0.000 -2.411 -2.343) 3.362 5.224 ( 0.000 8.356 3.476) 9.050 5.254 ( 0.000 7.079 0.783) 7.122 5.540 ( 0.000 1.074 4.342) 4.473 5.583 ( 0.000 1.483 0.305) 1.514 5.952 ( 0.000 2.793 2.824) 3.972 6.026 ( 0.000 1.323 -3.682) 3.912 6.574 ( 0.000 -2.362 -0.483) 2.411 6.592 ( 0.000 -1.779 -1.862) 2.576 6.617 ( 0.000 8.949 1.665) 9.102 6.642 ( 0.000 9.072 -0.480) 9.084 6.851 ( 0.000 -4.682 3.573) 5.889 6.913 ( 0.000 -5.882 -2.251) 6.298 7.009 ( 0.000 -1.079 2.621) 2.835 7.077 ( 0.000 -1.972 -3.681) 4.176 7.235 ( 0.000 -2.626 0.928) 2.785 7.257 ( 0.000 -0.859 -1.153) 1.437 10.802 ( 0.000 2.740 0.799) 2.854 10.826 ( 0.000 2.758 -1.158) 2.991 11.017 ( 0.000 -2.432 -0.361) 2.458 11.033 ( 0.000 -2.346 -1.643) 2.864 11.655 ( 0.000 1.453 1.300) 1.950 11.702 ( 0.000 10.344 1.086) 10.401 11.712 ( 0.000 0.529 -3.687) 3.725 11.772 ( 0.000 7.808 -5.860) 9.763 12.084 ( 0.000 2.574 2.193) 3.381 12.150 ( 0.000 0.984 -3.393) 3.533 12.617 ( 0.000 -3.104 2.342) 3.888 12.656 ( 0.000 -2.943 -1.082) 3.135 13.414 ( 0.000 27.553 12.760) 30.364 13.830 ( 0.000 34.867 -29.260) 45.517 15.241 ( 0.000 -10.135 2.110) 10.353 15.288 ( 0.000 -5.914 -2.208) 6.312 22.240 ( 0.000 6.720 3.065) 7.386 22.334 ( 0.000 9.998 -6.487) 11.918 22.840 ( 0.000 -5.513 5.710) 7.937 22.966 ( 0.000 -3.793 -6.221) 7.286 22.997 ( 0.000 2.652 1.021) 2.841 23.021 ( 0.000 3.001 -1.143) 3.211 23.413 ( 0.000 -4.282 1.291) 4.472 23.437 ( 0.000 -4.629 -0.986) 4.733 24.139 ( 0.000 0.251 19.657) 19.659 24.160 ( 0.000 0.634 1.649) 1.767 24.191 ( 0.000 0.683 -1.048) 1.251 24.602 ( 0.000 -3.427 -24.175) 24.417 25.521 ( 0.000 4.961 3.526) 6.087 25.593 ( 0.000 8.472 -3.109) 9.025 26.811 ( 0.000 -31.947 25.746) 41.031 27.134 ( 0.000 -30.326 -5.443) 30.811 30.190 ( 0.000 11.393 4.139) 12.122 30.287 ( 0.000 9.357 -5.093) 10.654 30.660 ( 0.000 1.462 0.881) 1.707 30.676 ( 0.000 1.590 -0.643) 1.715 30.790 ( 0.000 -1.979 0.854) 2.156 30.805 ( 0.000 -1.529 -0.397) 1.580 30.882 ( 0.000 -4.065 4.082) 5.761 30.972 ( 0.000 -5.690 -4.165) 7.051 88.969 ( 0.000 1.235 8.939) 9.024 89.028 ( 0.000 4.298 5.873) 7.278 89.101 ( 0.000 5.397 1.360) 5.566 89.167 ( 0.000 3.596 -9.443) 10.104 89.336 ( 0.000 3.763 -0.539) 3.801 89.421 ( 0.000 7.255 -5.889) 9.344 91.788 ( 0.000 -70.025 56.343) 89.878 92.645 ( 0.000 -64.014 -28.380) 70.023 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.11 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -8.607 16.623 8.996) 20.769 1.266 ( -5.876 12.195 -6.847) 15.170 1.550 ( 11.235 16.485 8.863) 21.830 1.680 ( 11.211 16.664 -5.416) 20.801 1.915 ( 6.759 8.741 24.131) 26.540 2.169 ( -1.070 -3.275 2.914) 4.513 2.252 ( 0.722 -4.052 -2.919) 5.046 2.427 ( 1.965 2.842 -20.197) 20.490 2.777 ( -11.847 -10.834 4.580) 16.694 2.824 ( -12.633 -11.273 0.930) 16.957 3.111 ( 0.731 -0.908 7.289) 7.382 3.209 ( 0.341 -5.729 -2.032) 6.089 3.420 ( 8.298 -1.316 5.281) 9.924 3.669 ( 3.557 4.408 -15.504) 16.506 4.108 ( -6.218 -0.291 5.567) 8.351 4.231 ( -5.708 2.311 -6.343) 8.841 4.380 ( 6.421 -2.495 7.868) 10.457 4.572 ( 5.400 -7.877 -8.967) 13.100 4.762 ( -0.866 -3.077 -0.078) 3.198 4.795 ( 2.244 -3.353 -2.983) 5.018 5.203 ( -1.792 8.811 4.049) 9.861 5.252 ( -0.197 7.358 -0.162) 7.362 5.552 ( 0.752 0.976 4.637) 4.797 5.614 ( 3.305 0.275 -0.540) 3.360 5.951 ( -0.246 2.837 2.883) 4.052 6.023 ( -0.195 1.725 -3.595) 3.992 6.437 ( -7.445 3.304 1.297) 8.248 6.480 ( -5.423 3.480 -2.397) 6.875 6.689 ( 0.688 -1.300 1.578) 2.157 6.722 ( 1.658 -1.367 -1.326) 2.525 6.850 ( 0.401 -2.092 3.343) 3.964 6.902 ( -1.126 -3.310 -1.525) 3.815 7.004 ( 0.004 -1.703 2.344) 2.897 7.069 ( 0.266 0.075 -3.916) 3.925 7.256 ( 1.507 -2.237 0.617) 2.767 7.271 ( 1.062 -0.537 -0.796) 1.432 10.778 ( -0.956 3.279 0.266) 3.426 10.793 ( -0.932 3.064 -1.121) 3.393 11.106 ( 6.538 -3.100 0.032) 7.236 11.122 ( 6.918 -3.570 -1.178) 7.874 11.645 ( -1.095 1.549 0.973) 2.131 11.669 ( -2.535 6.231 -0.596) 6.754 11.717 ( -0.365 3.677 -2.362) 4.386 11.749 ( -2.087 4.538 -5.105) 7.142 12.119 ( 3.819 3.761 1.621) 5.600 12.171 ( 2.546 2.290 -2.760) 4.398 12.687 ( 6.420 -3.425 2.633) 7.738 12.731 ( 6.512 -3.284 -1.099) 7.376 13.428 ( 1.842 26.539 13.383) 29.779 13.853 ( 2.697 30.895 -29.011) 42.467 15.224 ( -2.124 -10.513 1.158) 10.787 15.252 ( -3.820 -6.578 -1.454) 7.744 22.260 ( 2.020 6.718 3.184) 7.704 22.349 ( 1.649 9.728 -5.623) 11.357 22.854 ( 0.987 -5.059 5.150) 7.287 22.955 ( -2.531 -0.431 -3.180) 4.088 22.985 ( -1.216 2.636 0.857) 3.027 23.032 ( 2.713 -0.198 -4.435) 5.202 23.410 ( -0.461 -4.379 1.687) 4.716 23.446 ( 0.825 -4.782 -1.562) 5.098 24.119 ( -0.721 1.725 11.710) 11.858 24.181 ( 0.931 -1.057 2.378) 2.764 24.212 ( 2.199 0.950 5.097) 5.632 24.596 ( -0.682 -3.539 -22.193) 22.483 25.550 ( 2.994 4.269 2.599) 5.826 25.608 ( 1.567 7.839 -2.597) 8.405 26.722 ( -8.791 -28.839 24.455) 38.820 27.026 ( -10.472 -26.436 -4.985) 28.868 30.187 ( -0.159 11.368 3.243) 11.822 30.259 ( -2.133 9.975 -3.613) 10.822 30.622 ( -3.327 2.086 0.525) 3.962 30.630 ( -3.718 2.048 -0.205) 4.249 30.834 ( 2.824 -1.864 0.496) 3.420 30.840 ( 3.871 -2.327 0.009) 4.517 30.908 ( 2.335 -4.342 4.329) 6.561 31.011 ( 3.281 -6.455 -5.109) 8.862 88.963 ( -0.190 2.338 8.173) 8.503 89.017 ( -0.907 4.430 4.841) 6.624 89.106 ( 0.508 4.519 2.693) 5.285 89.193 ( 2.103 3.873 -8.351) 9.443 89.352 ( 1.551 4.563 -1.073) 4.938 89.430 ( 1.239 5.784 -5.962) 8.398 91.521 ( -25.218 -58.462 56.035) 84.816 92.403 ( -23.744 -57.187 -30.260) 68.919 ======================= Grid point 182 (63/75) ======================= q-point: ( 0.22 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.172 8.118 9.894) 12.799 1.204 ( -0.111 5.147 -8.316) 9.780 1.726 ( 7.049 9.915 16.414) 20.431 1.901 ( 11.054 11.508 -3.622) 16.363 2.077 ( 6.575 3.947 6.816) 10.260 2.136 ( -2.084 -2.135 3.113) 4.311 2.275 ( 2.019 -1.904 -1.633) 3.220 2.430 ( -6.155 -4.508 -11.276) 13.614 2.548 ( -8.565 -4.511 2.550) 10.010 2.586 ( -7.092 -3.124 -1.963) 7.994 3.117 ( -0.400 3.058 5.070) 5.934 3.199 ( -1.882 -0.530 -2.487) 3.164 3.575 ( 7.654 0.206 4.387) 8.824 3.742 ( 3.442 2.734 -10.514) 11.396 4.007 ( -4.168 0.347 4.750) 6.329 4.133 ( -4.402 0.870 -7.094) 8.394 4.476 ( 3.456 -0.898 6.794) 7.675 4.619 ( -0.257 -2.071 -6.198) 6.540 4.759 ( 0.645 -4.306 3.615) 5.659 4.846 ( 1.324 -3.191 -3.697) 5.059 5.187 ( 1.307 7.202 2.840) 7.851 5.254 ( 0.757 7.471 -2.071) 7.789 5.557 ( -0.466 0.810 6.085) 6.156 5.686 ( 2.674 -0.944 -4.906) 5.667 5.944 ( 0.405 3.022 4.629) 5.543 6.032 ( 1.542 1.925 -3.461) 4.249 6.339 ( -2.289 0.595 3.595) 4.303 6.424 ( -0.216 0.991 -3.933) 4.061 6.631 ( -5.493 -3.923 1.669) 6.953 6.680 ( -5.091 -4.143 -2.786) 7.131 6.841 ( -2.467 -5.191 2.232) 6.165 6.863 ( -2.954 -5.473 -0.026) 6.219 7.034 ( 3.138 1.635 2.932) 4.596 7.106 ( 3.006 3.310 -3.772) 5.850 7.275 ( 0.278 -0.968 0.487) 1.119 7.283 ( -0.019 0.092 -0.280) 0.295 10.801 ( 3.388 3.373 0.107) 4.782 10.818 ( 3.416 3.274 -1.395) 4.933 11.215 ( 3.872 -3.024 0.417) 4.931 11.227 ( 3.182 -2.341 -0.441) 3.975 11.610 ( -2.383 1.493 -0.071) 2.813 11.626 ( -1.523 3.024 -1.261) 3.614 11.687 ( -2.418 2.828 -2.184) 4.315 11.715 ( -1.382 -0.763 -4.312) 4.592 12.232 ( 7.581 5.440 0.814) 9.366 12.258 ( 6.364 5.073 -1.339) 8.248 12.808 ( 4.408 -1.037 2.758) 5.302 12.849 ( 4.385 -1.347 -0.766) 4.651 13.517 ( 8.402 20.617 15.068) 26.883 13.952 ( 8.012 19.277 -27.317) 34.380 15.123 ( -9.070 -7.792 1.174) 12.015 15.154 ( -6.220 -10.966 -1.740) 12.727 22.316 ( 3.691 6.576 3.463) 8.298 22.400 ( 3.545 9.077 -4.617) 10.783 22.846 ( -2.466 -0.966 1.815) 3.210 22.873 ( -5.449 2.093 -0.893) 5.905 22.982 ( 1.769 0.184 4.746) 5.068 23.115 ( 5.100 -2.553 -7.951) 9.785 23.389 ( -1.851 -4.386 3.191) 5.731 23.459 ( 0.185 -5.089 -3.207) 6.018 24.123 ( 1.198 2.376 8.486) 8.893 24.204 ( 1.796 -0.659 -0.849) 2.093 24.257 ( 2.113 -0.134 8.394) 8.657 24.570 ( -2.092 -3.523 -17.305) 17.783 25.632 ( 5.018 3.278 0.804) 6.047 25.658 ( 4.183 4.966 -1.443) 6.652 26.500 ( -13.216 -21.189 21.340) 32.849 26.772 ( -14.763 -18.988 -5.007) 24.567 30.193 ( 1.066 10.856 1.813) 11.058 30.233 ( -0.160 10.162 -1.933) 10.345 30.548 ( -4.131 3.410 0.232) 5.362 30.552 ( -4.207 3.311 -0.155) 5.356 30.894 ( 3.223 -2.743 1.886) 4.633 30.923 ( 4.384 -3.157 -0.868) 5.471 30.958 ( 2.525 -4.654 4.412) 6.892 31.072 ( 2.623 -7.059 -5.850) 9.536 88.977 ( 1.812 3.416 7.436) 8.382 89.006 ( 0.032 4.714 4.685) 6.646 89.116 ( 0.419 3.974 4.636) 6.121 89.232 ( 1.706 4.654 -8.156) 9.544 89.389 ( 2.127 6.207 -0.420) 6.574 89.490 ( 5.750 1.502 -7.674) 9.706 90.942 ( -31.760 -37.269 51.156) 70.814 91.811 ( -35.164 -42.077 -32.274) 63.629 ======================= Grid point 183 (64/75) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 9.563 -2.795 7.731) 12.611 1.269 ( 6.711 -3.846 -7.324) 10.652 1.818 ( 1.023 1.318 17.405) 17.485 1.968 ( -10.181 -10.977 4.890) 15.750 2.047 ( -7.245 -9.427 -3.052) 12.274 2.133 ( 7.099 5.561 -6.951) 11.386 2.245 ( -7.322 -1.805 1.385) 7.667 2.336 ( -0.064 -1.876 -4.805) 5.159 2.520 ( 9.414 12.625 4.970) 16.514 2.634 ( 6.584 9.484 -5.458) 12.770 3.076 ( -4.175 6.703 2.581) 8.308 3.129 ( -5.503 5.102 -2.087) 7.789 3.716 ( 6.883 0.927 1.717) 7.154 3.797 ( 2.559 1.696 -5.815) 6.575 3.945 ( -2.389 -0.140 3.571) 4.299 4.053 ( -4.205 -0.330 -6.539) 7.782 4.524 ( 2.120 1.273 5.117) 5.683 4.614 ( 0.773 2.153 -3.030) 3.796 4.759 ( -1.234 -2.790 4.149) 5.150 4.810 ( -4.432 0.976 0.962) 4.639 5.260 ( 5.139 3.690 -1.058) 6.415 5.295 ( 3.928 4.889 -3.104) 6.998 5.524 ( -3.021 1.315 5.606) 6.503 5.661 ( -4.887 1.324 -6.569) 8.294 6.021 ( 7.436 -0.250 4.165) 8.526 6.089 ( 4.459 0.839 -2.235) 5.058 6.350 ( 2.820 -3.922 5.968) 7.678 6.459 ( 2.546 -2.075 -2.781) 4.304 6.513 ( -5.352 -3.180 -0.724) 6.268 6.555 ( -7.278 -3.592 -4.062) 9.076 6.758 ( -5.772 -7.776 2.000) 9.889 6.788 ( -4.761 -7.589 -0.900) 9.004 7.104 ( 3.715 2.594 3.093) 5.486 7.164 ( 2.751 3.299 -2.458) 4.949 7.265 ( -1.381 0.664 0.664) 1.669 7.270 ( -1.081 0.515 0.058) 1.199 10.898 ( 6.289 3.203 0.125) 7.059 10.916 ( 6.373 3.270 -1.361) 7.291 11.235 ( -2.224 1.082 0.462) 2.516 11.240 ( -1.391 -0.151 -0.046) 1.400 11.578 ( -0.654 -1.201 -0.542) 1.471 11.609 ( -0.120 -0.109 -3.034) 3.038 11.642 ( -2.162 -0.278 -1.110) 2.446 11.685 ( -1.756 -1.910 -4.503) 5.197 12.396 ( 9.056 6.942 0.910) 11.447 12.411 ( 9.282 7.131 -0.477) 11.715 12.825 ( -2.507 4.979 2.949) 6.306 12.868 ( -2.548 3.952 -0.896) 4.787 13.771 ( 17.376 8.736 14.970) 24.543 14.162 ( 13.335 5.482 -22.407) 26.645 14.888 ( -15.079 -7.408 4.153) 17.306 14.989 ( -10.878 -10.981 -5.174) 16.299 22.400 ( 5.021 6.142 3.489) 8.666 22.481 ( 4.655 8.144 -4.181) 10.270 22.756 ( -6.482 3.440 0.593) 7.363 22.771 ( -4.763 3.028 -0.924) 5.719 23.046 ( 4.481 -2.092 7.504) 8.987 23.215 ( 5.071 -3.140 -8.456) 10.348 23.336 ( -3.638 -4.055 4.953) 7.362 23.444 ( -1.802 -4.943 -4.869) 7.169 24.164 ( 2.873 2.187 6.278) 7.242 24.255 ( 3.414 -0.678 -2.361) 4.206 24.284 ( 0.536 -0.321 7.646) 7.671 24.513 ( -3.785 -3.001 -11.807) 12.757 25.723 ( 5.142 2.799 3.206) 6.675 25.790 ( 8.765 -0.517 -3.343) 9.395 26.243 ( -12.872 -12.893 17.308) 25.130 26.484 ( -14.587 -12.666 -5.911) 20.203 30.231 ( 2.800 9.607 0.939) 10.050 30.255 ( 2.228 9.362 -1.280) 9.708 30.466 ( -4.317 5.033 0.019) 6.631 30.469 ( -4.347 4.712 -0.238) 6.416 30.952 ( 2.699 -3.511 2.928) 5.309 30.993 ( 1.873 -4.884 3.751) 6.437 31.008 ( 3.377 -3.910 -1.368) 5.345 31.105 ( 0.808 -6.713 -5.467) 8.695 89.013 ( 1.097 3.540 6.718) 7.672 89.030 ( 2.352 4.710 7.050) 8.799 89.129 ( 1.506 4.592 2.880) 5.626 89.251 ( 0.106 6.241 -8.675) 10.687 89.448 ( 4.755 3.270 5.693) 8.106 89.669 ( 12.942 -1.905 -12.146) 17.851 90.365 ( -27.023 -20.723 40.770) 53.121 91.119 ( -35.063 -26.804 -30.368) 53.573 ======================= Grid point 184 (65/75) ======================= q-point: ( 0.44 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 15.118 -10.459 4.882) 19.020 1.451 ( 11.668 -10.948 -4.325) 16.574 1.663 ( -15.775 -13.431 4.252) 21.150 1.697 ( -13.399 -13.868 0.311) 19.286 2.032 ( 3.760 2.248 10.465) 11.345 2.121 ( -5.003 2.264 9.615) 11.072 2.263 ( 4.519 1.392 -10.575) 11.584 2.320 ( -1.652 -1.125 -8.833) 9.056 2.747 ( 11.850 13.616 2.497) 18.223 2.795 ( 9.528 11.972 -1.395) 15.364 2.952 ( -8.482 10.472 1.383) 13.547 2.987 ( -8.999 9.840 -1.493) 13.418 3.839 ( 5.157 0.620 -1.353) 5.367 3.853 ( 3.975 0.283 -2.735) 4.833 3.901 ( -2.519 -0.181 0.984) 2.710 3.960 ( -5.489 -0.526 -4.635) 7.204 4.582 ( 4.180 2.780 5.854) 7.712 4.649 ( 1.422 2.598 1.114) 3.164 4.697 ( -3.966 2.360 2.312) 5.162 4.727 ( -3.351 0.929 0.955) 3.606 5.354 ( 4.780 3.484 0.326) 5.924 5.406 ( 6.720 1.768 -4.490) 8.273 5.447 ( -4.680 2.262 2.983) 5.993 5.540 ( -6.959 1.864 -5.326) 8.960 6.185 ( 8.043 -2.077 2.150) 8.581 6.201 ( 7.041 -1.391 0.971) 7.243 6.336 ( -5.572 -3.080 2.917) 7.004 6.384 ( -8.296 -2.340 -1.462) 8.743 6.492 ( 5.568 -5.659 1.155) 8.023 6.569 ( 5.612 -5.723 -4.958) 9.425 6.628 ( -7.344 -7.776 2.196) 10.919 6.683 ( -5.885 -7.293 -2.847) 9.795 7.171 ( 3.169 2.053 2.462) 4.507 7.210 ( 2.042 2.369 -1.182) 3.344 7.226 ( -2.504 1.451 1.492) 3.256 7.245 ( -1.567 1.396 -0.314) 2.122 11.029 ( 6.961 3.157 0.442) 7.656 11.049 ( 6.998 3.072 -1.195) 7.735 11.154 ( -5.683 2.863 0.700) 6.402 11.171 ( -5.314 2.227 -0.749) 5.810 11.581 ( 0.800 -2.198 -0.596) 2.414 11.605 ( -1.595 -1.672 -0.611) 2.390 11.620 ( 1.174 -2.229 -4.151) 4.856 11.650 ( -1.766 -2.501 -4.534) 5.471 12.572 ( 8.901 8.259 1.845) 12.282 12.598 ( 9.584 7.797 -0.562) 12.368 12.729 ( -6.940 8.020 2.616) 10.923 12.766 ( -7.421 7.205 -0.801) 10.374 14.150 ( 20.830 -0.348 12.211) 24.148 14.441 ( 13.518 -4.006 -13.574) 19.571 14.554 ( -17.630 -5.155 5.659) 19.220 14.742 ( -14.343 -8.802 -10.110) 19.632 22.507 ( 5.980 5.459 2.949) 8.618 22.575 ( 5.051 6.861 -3.543) 9.227 22.629 ( -6.533 4.564 1.911) 8.196 22.674 ( -5.157 5.212 -2.435) 7.726 23.144 ( 5.427 -2.809 7.878) 9.970 23.247 ( -4.879 -3.454 6.773) 9.033 23.312 ( 4.357 -3.605 -7.729) 9.576 23.391 ( -3.569 -4.297 -6.411) 8.503 24.225 ( 3.087 1.367 5.610) 6.547 24.272 ( -1.643 0.308 6.634) 6.841 24.335 ( 4.643 -1.201 -4.775) 6.768 24.429 ( -4.805 -2.121 -7.486) 9.145 25.844 ( 7.520 -1.121 7.746) 10.854 25.983 ( 10.836 -4.081 -5.152) 12.674 26.017 ( -10.068 -6.243 12.391) 17.142 26.217 ( -13.007 -7.927 -6.321) 16.492 30.298 ( 4.008 8.054 0.438) 9.007 30.312 ( 3.570 8.024 -0.917) 8.831 30.381 ( -4.461 6.510 0.109) 7.893 30.387 ( -4.108 6.410 -0.536) 7.632 30.994 ( 1.518 -4.132 3.673) 5.733 31.009 ( -0.005 -4.619 4.238) 6.269 31.068 ( 2.575 -4.881 -3.383) 6.473 31.103 ( -0.999 -5.875 -4.512) 7.475 89.034 ( 1.064 3.830 8.008) 8.941 89.049 ( -0.295 3.933 8.641) 9.498 89.183 ( 3.335 6.277 -4.009) 8.161 89.234 ( -1.813 7.032 -7.987) 10.795 89.601 ( 11.628 -2.622 17.415) 21.104 89.895 ( -15.292 -9.972 26.541) 32.214 90.016 ( 16.756 -6.878 -15.684) 23.960 90.494 ( -29.170 -14.866 -25.239) 41.338 ======================= Grid point 189 (66/75) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 13.997 3.713) 14.481 1.675 ( 0.000 14.355 -2.153) 14.516 1.743 ( 0.000 17.208 8.096) 19.017 1.901 ( 0.000 15.795 -5.421) 16.700 2.013 ( 0.000 7.349 22.827) 23.981 2.074 ( 0.000 -6.427 3.628) 7.380 2.168 ( 0.000 -2.515 -3.737) 4.504 2.454 ( 0.000 -0.223 -17.186) 17.188 2.686 ( 0.000 -7.833 7.132) 10.593 2.800 ( 0.000 -12.109 8.474) 14.779 2.822 ( 0.000 -10.374 -5.667) 11.821 2.980 ( 0.000 -12.827 -7.617) 14.918 3.450 ( 0.000 10.976 13.828) 17.654 3.782 ( 0.000 8.784 -17.144) 19.263 3.991 ( 0.000 -13.149 10.769) 16.996 4.233 ( 0.000 -12.055 -12.012) 17.017 4.400 ( 0.000 7.879 1.117) 7.958 4.449 ( 0.000 6.957 -3.471) 7.774 4.675 ( 0.000 -5.030 0.654) 5.072 4.711 ( 0.000 -4.647 -2.636) 5.343 5.383 ( 0.000 6.279 3.145) 7.023 5.408 ( 0.000 7.349 0.994) 7.416 5.538 ( 0.000 -1.285 4.447) 4.629 5.589 ( 0.000 -1.090 -0.205) 1.109 6.063 ( 0.000 7.730 1.713) 7.917 6.110 ( 0.000 6.737 -2.448) 7.168 6.464 ( 0.000 -8.341 0.252) 8.345 6.495 ( 0.000 -7.913 -2.306) 8.242 6.752 ( 0.000 3.216 1.536) 3.564 6.759 ( 0.000 2.920 0.973) 3.078 6.784 ( 0.000 -1.382 2.245) 2.637 6.816 ( 0.000 -2.687 -0.699) 2.777 7.014 ( 0.000 2.112 2.820) 3.523 7.100 ( 0.000 3.492 -5.349) 6.387 7.171 ( 0.000 -3.539 2.523) 4.346 7.232 ( 0.000 -1.728 -3.223) 3.657 10.860 ( 0.000 2.704 0.531) 2.756 10.883 ( 0.000 2.605 -1.397) 2.956 10.965 ( 0.000 -2.522 -0.036) 2.523 10.982 ( 0.000 -2.380 -1.581) 2.857 11.695 ( 0.000 2.266 0.047) 2.266 11.739 ( 0.000 2.113 -3.662) 4.228 11.790 ( 0.000 -0.818 0.372) 0.898 11.846 ( 0.000 -0.262 -4.342) 4.350 12.204 ( 0.000 8.086 1.611) 8.245 12.244 ( 0.000 7.994 -1.791) 8.193 12.526 ( 0.000 -5.663 2.715) 6.281 12.568 ( 0.000 -5.625 -0.867) 5.691 14.008 ( 0.000 28.062 16.006) 32.305 14.445 ( 0.000 24.146 -26.182) 35.616 14.963 ( 0.000 -16.677 6.695) 17.971 15.123 ( 0.000 -10.157 -8.232) 13.074 22.393 ( 0.000 7.732 5.661) 9.582 22.540 ( 0.000 9.412 -8.748) 12.849 22.709 ( 0.000 -6.957 6.992) 9.863 22.864 ( 0.000 -5.974 -7.666) 9.719 23.073 ( 0.000 4.626 1.118) 4.759 23.099 ( 0.000 4.497 -1.329) 4.690 23.310 ( 0.000 -5.558 0.802) 5.615 23.324 ( 0.000 -5.908 -0.649) 5.943 24.141 ( 0.000 -0.003 15.701) 15.701 24.150 ( 0.000 -0.686 4.856) 4.904 24.256 ( 0.000 4.738 -4.536) 6.559 24.504 ( 0.000 -5.777 -18.142) 19.039 25.658 ( 0.000 8.412 8.143) 11.707 25.814 ( 0.000 12.867 -6.212) 14.288 26.246 ( 0.000 -21.925 21.902) 30.990 26.568 ( 0.000 -23.986 -8.632) 25.492 30.416 ( 0.000 10.124 2.238) 10.368 30.463 ( 0.000 7.879 -2.232) 8.189 30.695 ( 0.000 1.822 1.165) 2.163 30.714 ( 0.000 1.999 -0.692) 2.115 30.725 ( 0.000 -4.660 1.897) 5.032 30.760 ( 0.000 -3.173 -1.156) 3.377 30.796 ( 0.000 -3.838 1.851) 4.261 30.842 ( 0.000 -5.998 -2.066) 6.344 89.009 ( 0.000 2.362 10.082) 10.355 89.079 ( 0.000 0.203 8.600) 8.603 89.235 ( 0.000 2.830 -10.882) 11.244 89.244 ( 0.000 5.990 -3.675) 7.027 89.433 ( 0.000 9.422 11.491) 14.860 89.741 ( 0.000 23.424 -14.182) 27.383 90.589 ( 0.000 -45.957 45.563) 64.715 91.383 ( 0.000 -55.098 -30.158) 62.812 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.11 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -11.565 16.797 5.353) 21.084 1.552 ( -9.353 14.681 -3.954) 17.851 1.843 ( 4.953 11.310 13.563) 18.341 1.961 ( 1.891 5.586 1.870) 6.187 2.035 ( 0.589 -0.313 3.807) 3.865 2.074 ( -0.031 -5.399 1.784) 5.686 2.219 ( 5.384 3.893 1.864) 6.901 2.424 ( -4.689 -6.413 -11.949) 14.349 2.619 ( -4.526 -1.487 2.948) 5.602 2.649 ( -3.054 -0.258 -0.028) 3.065 2.987 ( 7.688 -10.414 0.878) 12.974 3.042 ( 4.581 -10.318 -3.166) 11.725 3.504 ( 5.157 8.755 11.464) 15.319 3.795 ( 1.243 7.509 -14.971) 16.795 3.983 ( -0.779 -10.234 8.210) 13.143 4.183 ( -4.104 -7.621 -10.099) 13.301 4.429 ( 2.704 5.822 2.614) 6.931 4.510 ( 4.980 2.688 -4.792) 7.415 4.679 ( -0.007 -4.808 0.648) 4.852 4.717 ( 1.188 -4.375 -2.818) 5.338 5.378 ( -0.805 7.166 3.242) 7.906 5.404 ( -0.011 7.031 1.345) 7.159 5.550 ( 0.898 -1.186 3.725) 4.011 5.602 ( 1.559 -1.603 -0.570) 2.308 6.054 ( -0.812 7.147 2.000) 7.466 6.106 ( -0.342 6.361 -2.586) 6.875 6.416 ( -4.608 -6.010 0.984) 7.637 6.462 ( -2.988 -6.095 -3.004) 7.423 6.675 ( -5.268 1.205 1.592) 5.633 6.695 ( -4.243 0.432 -0.127) 4.267 6.794 ( -1.889 -3.121 1.584) 3.977 6.810 ( -2.390 -4.307 0.011) 4.925 7.036 ( 2.576 3.692 3.547) 5.732 7.124 ( 2.422 3.577 -4.162) 5.999 7.203 ( 2.528 -2.729 1.269) 3.930 7.252 ( 1.562 -1.433 -2.755) 3.476 10.858 ( 0.507 4.231 -0.024) 4.261 10.869 ( 0.359 3.957 -0.998) 4.097 11.035 ( 4.884 -3.655 -0.557) 6.126 11.041 ( 5.496 -4.145 -0.892) 6.941 11.679 ( -1.627 1.818 -0.039) 2.440 11.719 ( -2.059 1.716 -3.246) 4.210 11.755 ( -3.162 -0.777 -0.260) 3.266 11.806 ( -3.673 -0.126 -4.389) 5.725 12.253 ( 4.938 8.435 1.696) 9.920 12.290 ( 4.592 8.507 -1.425) 9.772 12.589 ( 5.995 -6.046 2.841) 8.976 12.632 ( 6.041 -6.160 -0.876) 8.672 13.999 ( -0.763 27.070 15.363) 31.134 14.412 ( -3.087 22.545 -24.222) 33.235 14.940 ( -2.556 -16.730 5.382) 17.759 15.077 ( -4.790 -10.470 -7.299) 13.632 22.412 ( 1.994 7.722 5.617) 9.755 22.552 ( 1.350 9.309 -7.673) 12.139 22.729 ( 1.780 -6.711 6.339) 9.401 22.878 ( 1.110 -5.773 -7.617) 9.622 23.064 ( -0.802 4.922 1.056) 5.097 23.089 ( -0.779 4.437 -1.253) 4.676 23.307 ( -0.512 -5.445 0.970) 5.554 23.327 ( 0.360 -6.334 -0.931) 6.413 24.145 ( 0.541 0.552 12.228) 12.252 24.162 ( 1.094 -0.723 6.696) 6.823 24.263 ( 0.673 4.101 -3.543) 5.461 24.499 ( -0.607 -5.660 -16.836) 17.772 25.671 ( 1.331 7.542 7.325) 10.597 25.814 ( -0.048 11.985 -5.667) 13.258 26.210 ( -3.637 -20.017 20.584) 28.941 26.517 ( -5.126 -22.055 -8.417) 24.156 30.414 ( -0.118 10.188 1.690) 10.328 30.450 ( -0.950 8.642 -1.727) 8.864 30.664 ( -2.513 0.981 0.642) 2.773 30.672 ( -2.222 1.808 0.093) 2.866 30.774 ( 2.585 -3.528 1.431) 4.602 30.787 ( 2.480 -2.848 -0.268) 3.786 30.818 ( 1.986 -4.021 1.445) 4.712 30.866 ( 2.203 -6.702 -2.506) 7.487 89.016 ( 0.837 2.670 10.081) 10.462 89.082 ( 0.410 0.817 8.572) 8.621 89.228 ( -0.089 5.698 -3.542) 6.710 89.270 ( 1.929 3.628 -8.292) 9.254 89.442 ( 1.094 7.625 8.379) 11.382 89.726 ( -1.570 22.138 -13.763) 26.115 90.483 ( -10.323 -41.072 43.736) 60.879 91.259 ( -12.361 -50.623 -29.971) 60.114 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.22 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -8.708 13.939 6.522) 17.682 1.377 ( -8.044 11.004 -5.386) 14.656 1.861 ( -8.792 -8.117 9.306) 15.158 1.907 ( -3.966 -4.735 9.087) 10.988 1.984 ( -3.049 -5.233 -0.971) 6.134 2.128 ( 4.674 3.427 -0.807) 5.851 2.284 ( 0.376 -1.133 -1.187) 1.683 2.324 ( -3.697 -2.569 -5.284) 6.941 2.622 ( 6.807 11.947 4.450) 14.452 2.710 ( 6.685 10.263 -3.382) 12.707 3.105 ( 4.499 -5.748 0.955) 7.362 3.121 ( 3.394 -6.326 -0.071) 7.179 3.626 ( 6.880 5.326 6.848) 11.072 3.820 ( 1.086 4.652 -9.512) 10.644 3.961 ( -1.477 -4.874 3.233) 6.032 4.099 ( -4.337 -4.402 -8.440) 10.460 4.493 ( 3.654 2.872 4.703) 6.613 4.601 ( 3.945 1.124 -4.904) 6.393 4.674 ( -0.048 -3.997 3.099) 5.058 4.762 ( 2.795 -4.490 -4.630) 7.029 5.357 ( -0.855 7.911 3.982) 8.897 5.413 ( 0.794 7.167 -0.058) 7.211 5.558 ( -0.293 -0.864 3.792) 3.900 5.648 ( 2.590 -2.809 -3.119) 4.932 6.034 ( -1.009 5.857 3.467) 6.881 6.104 ( 0.492 5.268 -2.741) 5.959 6.318 ( -4.640 -3.773 3.091) 6.732 6.405 ( -2.148 -4.422 -4.705) 6.805 6.569 ( -5.681 -0.627 1.862) 6.011 6.609 ( -4.987 -1.369 -1.667) 5.434 6.721 ( -5.123 -5.243 0.799) 7.374 6.729 ( -5.177 -6.302 0.058) 8.156 7.100 ( 3.472 3.691 4.028) 6.473 7.176 ( 2.535 2.543 -2.044) 4.132 7.246 ( 1.670 -1.473 -0.166) 2.233 7.276 ( 0.671 -0.813 -1.878) 2.153 10.897 ( 3.605 5.529 -0.056) 6.601 10.911 ( 3.873 5.403 -1.252) 6.765 11.131 ( 4.623 -4.812 0.134) 6.674 11.147 ( 4.847 -4.920 -1.084) 6.991 11.636 ( -2.843 1.116 -0.234) 3.063 11.660 ( -3.497 0.955 -1.436) 3.899 11.694 ( -2.982 -0.946 -2.841) 4.226 11.723 ( -4.454 -0.086 -4.412) 6.270 12.386 ( 8.506 8.876 1.751) 12.418 12.413 ( 7.963 9.192 -0.633) 12.178 12.729 ( 7.705 -5.927 2.954) 10.159 12.769 ( 7.216 -6.043 -0.423) 9.422 13.989 ( 0.131 23.401 13.651) 27.092 14.344 ( -3.297 17.498 -20.070) 26.830 14.858 ( -5.964 -16.427 2.500) 17.654 14.938 ( -9.519 -10.747 -4.795) 15.137 22.466 ( 3.419 7.590 5.462) 9.957 22.594 ( 2.856 9.041 -6.616) 11.561 22.766 ( 1.788 -5.780 5.357) 8.081 22.880 ( -1.560 -2.611 -4.897) 5.765 23.048 ( -0.696 5.295 1.531) 5.555 23.094 ( 1.815 1.594 -3.295) 4.086 23.287 ( -1.633 -5.294 2.076) 5.916 23.332 ( -0.017 -6.814 -2.101) 7.131 24.166 ( 1.684 1.289 9.300) 9.539 24.192 ( 2.043 -0.564 5.599) 5.987 24.279 ( 0.895 2.737 -1.362) 3.186 24.479 ( -1.497 -5.128 -13.265) 14.301 25.712 ( 2.950 5.093 4.945) 7.687 25.814 ( 0.144 9.515 -4.035) 10.336 26.117 ( -5.641 -15.239 17.184) 23.650 26.385 ( -8.127 -17.486 -7.871) 20.827 30.414 ( 0.294 9.808 1.044) 9.868 30.441 ( 0.190 9.820 -1.440) 9.927 30.616 ( -2.448 2.365 0.378) 3.425 30.625 ( -2.557 3.276 -0.321) 4.168 30.820 ( 2.401 -4.262 2.907) 5.690 30.842 ( 2.791 -3.989 0.452) 4.889 30.864 ( 2.637 -4.206 0.350) 4.976 30.913 ( 2.373 -7.579 -3.080) 8.518 89.045 ( 2.091 3.084 10.281) 10.935 89.099 ( 1.599 2.263 8.854) 9.277 89.228 ( -0.123 7.211 4.564) 8.535 89.312 ( 2.362 3.217 -9.641) 10.434 89.487 ( 3.991 3.288 -0.056) 5.171 89.684 ( -2.593 18.482 -12.227) 22.312 90.229 ( -14.895 -30.139 38.272) 50.941 90.941 ( -19.521 -39.792 -28.729) 52.819 ======================= Grid point 192 (69/75) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -1.446 6.267 5.768) 8.639 1.266 ( -2.964 3.655 -5.401) 7.163 1.639 ( -12.478 -14.514 3.245) 19.414 1.678 ( -14.718 -14.370 0.084) 20.570 2.034 ( 4.225 5.350 11.209) 13.119 2.208 ( 3.201 0.757 -1.383) 3.568 2.259 ( -2.672 1.319 0.507) 3.023 2.295 ( 0.427 -1.206 -5.799) 5.938 2.808 ( 10.617 13.327 3.263) 17.349 2.864 ( 8.664 11.594 -1.312) 14.533 3.155 ( 0.609 0.175 1.330) 1.473 3.166 ( 0.834 -1.979 0.247) 2.162 3.750 ( 5.666 2.721 1.919) 6.572 3.836 ( 0.715 2.150 -4.775) 5.285 3.927 ( -1.957 -1.751 0.184) 2.633 4.017 ( -4.274 -3.174 -6.947) 8.752 4.562 ( 3.561 2.322 5.146) 6.675 4.661 ( 2.453 2.563 -3.955) 5.313 4.688 ( 1.406 -3.538 5.428) 6.630 4.790 ( -0.546 -2.565 -3.109) 4.067 5.367 ( 2.357 6.122 2.129) 6.897 5.432 ( 1.162 7.048 -2.144) 7.457 5.537 ( -1.791 -0.276 4.082) 4.466 5.661 ( -2.114 -1.783 -6.335) 6.912 6.045 ( 3.108 2.970 5.554) 7.023 6.132 ( 2.339 3.551 -2.345) 4.856 6.261 ( -0.991 -4.979 5.928) 7.805 6.392 ( 0.507 -5.934 -5.907) 8.388 6.460 ( -5.209 -0.482 1.387) 5.412 6.496 ( -6.308 -1.071 -1.828) 6.655 6.609 ( -6.225 -5.751 0.208) 8.477 6.629 ( -5.005 -7.024 -1.449) 8.746 7.161 ( 2.802 2.642 3.628) 5.291 7.216 ( 1.650 1.374 -0.570) 2.222 7.264 ( 0.180 -0.449 -0.678) 0.832 7.274 ( -0.769 -0.116 -0.717) 1.058 10.990 ( 5.698 5.296 0.153) 7.781 11.008 ( 5.783 5.260 -1.304) 7.925 11.198 ( 1.953 -3.486 0.343) 4.010 11.211 ( 1.427 -3.093 -0.642) 3.467 11.576 ( -2.587 0.666 -0.754) 2.776 11.605 ( -2.255 -0.071 -2.135) 3.106 11.633 ( -3.257 -0.936 -3.683) 5.005 11.649 ( -3.064 -1.230 -4.012) 5.196 12.567 ( 9.829 8.839 1.811) 13.342 12.585 ( 9.418 9.080 0.226) 13.084 12.851 ( 3.930 -2.456 2.816) 5.423 12.878 ( 3.355 -2.806 0.424) 4.394 14.028 ( 4.621 15.264 11.092) 19.426 14.310 ( 0.415 8.472 -15.468) 17.641 14.705 ( -11.246 -11.661 -0.333) 16.204 14.722 ( -10.893 -12.523 -2.134) 16.735 22.541 ( 4.363 7.121 4.934) 9.700 22.655 ( 3.299 8.060 -5.905) 10.522 22.786 ( -0.026 -2.451 2.451) 3.466 22.820 ( -4.212 1.802 -0.877) 4.664 23.052 ( 1.432 3.452 3.832) 5.353 23.151 ( 3.637 -2.255 -5.555) 7.012 23.243 ( -2.846 -4.595 3.512) 6.446 23.321 ( -1.258 -6.703 -3.529) 7.679 24.208 ( 2.532 1.610 6.896) 7.520 24.240 ( 2.961 -0.678 3.235) 4.437 24.293 ( 0.406 1.586 0.699) 1.780 24.439 ( -2.638 -4.010 -8.521) 9.780 25.785 ( 4.522 1.974 1.691) 5.216 25.824 ( 1.231 5.355 -1.451) 5.683 26.005 ( -5.598 -9.394 12.718) 16.773 26.218 ( -8.864 -12.335 -6.929) 16.695 30.431 ( 1.453 9.053 0.805) 9.204 30.456 ( 1.311 9.614 -1.588) 9.832 30.569 ( -2.396 4.278 -0.051) 4.903 30.574 ( -2.642 4.773 -0.410) 5.471 30.865 ( 2.079 -4.695 3.517) 6.223 30.886 ( 1.655 -4.702 1.815) 5.305 30.914 ( 2.424 -4.898 -1.199) 5.595 30.951 ( 1.422 -7.619 -3.154) 8.368 89.088 ( 2.215 3.656 10.815) 11.629 89.151 ( 3.378 4.502 9.555) 11.090 89.222 ( 0.061 5.560 10.062) 11.496 89.357 ( 2.015 3.685 -9.881) 10.737 89.597 ( 5.018 4.491 -8.312) 10.698 89.643 ( 1.027 6.776 -7.918) 10.472 89.945 ( -13.704 -18.399 28.825) 36.841 90.543 ( -20.836 -27.368 -25.715) 42.946 ======================= Grid point 193 (70/75) ======================= q-point: ( 0.44 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 7.109 -3.331 3.397) 8.554 1.276 ( 4.122 -5.195 -3.554) 7.524 1.401 ( -12.749 -10.604 1.193) 16.626 1.417 ( -10.215 -12.040 -0.537) 15.798 2.116 ( 4.123 4.931 9.422) 11.405 2.189 ( -3.423 3.749 5.801) 7.708 2.270 ( 2.046 -1.049 -3.991) 4.606 2.296 ( -0.587 -1.275 -5.465) 5.642 2.998 ( 8.499 10.033 2.230) 13.337 3.025 ( 7.509 9.293 0.008) 11.948 3.123 ( -4.086 5.337 1.587) 6.906 3.139 ( -3.743 4.191 0.182) 5.622 3.844 ( 4.053 0.197 -1.807) 4.442 3.857 ( 1.711 0.254 -2.957) 3.426 3.890 ( -1.834 -0.855 -1.325) 2.419 3.932 ( -4.408 -1.998 -4.911) 6.895 4.638 ( 4.373 2.507 5.041) 7.128 4.695 ( 0.358 1.470 1.794) 2.346 4.712 ( 0.836 -0.275 1.289) 1.561 4.743 ( -3.339 0.227 0.632) 3.406 5.442 ( 4.086 4.198 -0.906) 5.927 5.466 ( 3.291 3.895 -2.720) 5.779 5.494 ( -2.431 1.889 1.787) 3.560 5.573 ( -6.093 0.775 -5.174) 8.031 6.151 ( 6.678 -0.703 4.638) 8.161 6.188 ( 3.118 0.526 1.652) 3.568 6.255 ( -0.871 -4.480 5.426) 7.090 6.325 ( -7.242 -3.735 -0.229) 8.152 6.411 ( 0.686 -1.761 -1.405) 2.355 6.454 ( 2.073 -4.344 -3.537) 5.973 6.492 ( -4.922 -4.756 -1.365) 6.979 6.537 ( -4.507 -6.283 -3.821) 8.625 7.209 ( 2.250 1.592 2.480) 3.708 7.242 ( 1.089 0.620 -0.203) 1.269 7.248 ( -1.716 0.709 0.905) 2.065 7.259 ( -0.697 0.120 -0.537) 0.888 11.104 ( 5.691 3.697 0.373) 6.797 11.120 ( 5.339 3.426 -0.913) 6.409 11.193 ( -3.042 0.610 0.198) 3.108 11.197 ( -2.352 0.100 -0.130) 2.358 11.554 ( 0.237 -0.474 -1.737) 1.816 11.574 ( -1.263 -1.158 -2.080) 2.695 11.584 ( -1.033 -1.232 -4.241) 4.535 11.600 ( -1.991 -2.089 -4.054) 4.976 12.746 ( 8.122 7.721 2.165) 11.413 12.761 ( 8.241 7.247 0.741) 10.999 12.859 ( -3.089 3.767 2.624) 5.533 12.879 ( -3.390 2.917 0.805) 4.545 14.182 ( 11.104 3.929 7.594) 14.014 14.370 ( 4.407 -2.274 -8.503) 9.844 14.444 ( -12.616 -5.021 1.007) 13.616 14.534 ( -9.366 -10.617 -5.949) 15.357 22.632 ( 4.913 6.138 3.750) 8.711 22.716 ( 2.903 5.922 -4.237) 7.839 22.728 ( -4.951 4.501 1.827) 6.936 22.765 ( -2.030 2.414 -1.515) 3.499 23.103 ( 3.549 -0.217 5.562) 6.601 23.175 ( -3.605 -2.908 5.017) 6.828 23.225 ( 3.312 -4.454 -5.748) 7.991 23.283 ( -2.566 -5.843 -4.872) 8.029 24.256 ( 2.189 1.459 5.000) 5.650 24.284 ( -0.411 0.909 3.665) 3.798 24.310 ( 3.163 -1.089 -0.932) 3.473 24.378 ( -3.526 -2.590 -4.060) 5.968 25.846 ( 2.444 1.525 3.188) 4.297 25.905 ( 5.193 -3.038 -1.011) 6.101 25.910 ( -2.710 -3.582 6.347) 7.775 26.051 ( -8.213 -7.538 -5.217) 12.308 30.469 ( 2.378 7.843 0.479) 8.209 30.488 ( 1.898 8.222 -1.378) 8.550 30.519 ( -2.715 6.308 0.057) 6.867 30.528 ( -2.185 6.367 -0.884) 6.789 30.896 ( 1.099 -4.848 3.323) 5.979 30.905 ( 0.272 -4.837 2.689) 5.541 30.952 ( 1.381 -5.989 -2.120) 6.502 30.965 ( 0.034 -6.974 -2.773) 7.505 89.130 ( 2.069 5.157 11.726) 12.976 89.166 ( -1.454 7.076 11.949) 13.963 89.286 ( 5.585 1.805 5.613) 8.122 89.368 ( -1.746 4.056 -5.424) 6.995 89.604 ( 1.432 4.962 1.069) 5.274 89.699 ( -7.500 -6.929 16.834) 19.689 89.853 ( 12.361 -8.375 -15.234) 21.331 90.160 ( -18.317 -16.478 -21.326) 32.586 ======================= Grid point 198 (71/75) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 -7.544 4.295) 8.681 1.863 ( 0.000 7.544 4.295) 8.681 1.925 ( 0.000 -8.607 -0.801) 8.645 1.925 ( 0.000 8.607 -0.801) 8.645 2.089 ( 0.000 -2.473 11.492) 11.755 2.089 ( 0.000 2.473 11.492) 11.755 2.281 ( 0.000 -12.223 -4.231) 12.935 2.281 ( 0.000 12.223 -4.231) 12.935 2.658 ( 0.000 -0.753 0.727) 1.047 2.658 ( 0.000 0.753 0.727) 1.047 2.739 ( 0.000 -8.826 -5.555) 10.428 2.739 ( 0.000 8.826 -5.555) 10.429 3.710 ( 0.000 -13.428 11.762) 17.851 3.710 ( 0.000 13.428 11.762) 17.851 3.990 ( 0.000 -11.045 -14.624) 18.326 3.990 ( 0.000 11.045 -14.624) 18.326 4.554 ( 0.000 -6.682 1.014) 6.759 4.554 ( 0.000 6.682 1.014) 6.759 4.593 ( 0.000 -6.515 -2.780) 7.084 4.593 ( 0.000 6.515 -2.780) 7.084 5.486 ( 0.000 -3.701 4.164) 5.571 5.486 ( 0.000 3.701 4.164) 5.571 5.533 ( 0.000 -4.345 -0.091) 4.346 5.533 ( 0.000 4.345 -0.091) 4.346 6.259 ( 0.000 -10.455 0.993) 10.502 6.259 ( 0.000 10.455 0.993) 10.502 6.293 ( 0.000 -10.218 -2.033) 10.418 6.293 ( 0.000 10.218 -2.033) 10.418 6.774 ( 0.000 -0.162 1.418) 1.427 6.774 ( 0.000 0.162 1.418) 1.427 6.790 ( 0.000 -0.537 0.001) 0.537 6.790 ( 0.000 0.537 0.001) 0.537 7.088 ( 0.000 -4.236 3.575) 5.543 7.088 ( 0.000 4.236 3.575) 5.543 7.179 ( 0.000 -3.422 -4.907) 5.982 7.179 ( 0.000 3.422 -4.907) 5.982 10.913 ( 0.000 -2.470 0.251) 2.483 10.913 ( 0.000 2.470 0.251) 2.483 10.934 ( 0.000 -2.345 -1.551) 2.811 10.934 ( 0.000 2.345 -1.551) 2.811 11.746 ( 0.000 -2.587 0.063) 2.588 11.746 ( 0.000 2.587 0.063) 2.588 11.798 ( 0.000 -3.235 -4.361) 5.429 11.798 ( 0.000 3.235 -4.361) 5.429 12.381 ( 0.000 -8.143 2.569) 8.539 12.381 ( 0.000 8.143 2.569) 8.539 12.423 ( 0.000 -8.201 -0.992) 8.261 12.423 ( 0.000 8.201 -0.992) 8.261 14.547 ( 0.000 -23.216 12.323) 26.284 14.547 ( 0.000 23.216 12.323) 26.284 14.855 ( 0.000 -15.851 -16.854) 23.136 14.855 ( 0.000 15.851 -16.854) 23.136 22.555 ( 0.000 -7.734 7.044) 10.461 22.555 ( 0.000 7.734 7.044) 10.461 22.720 ( 0.000 -7.814 -8.712) 11.703 22.720 ( 0.000 7.814 -8.712) 11.703 23.186 ( 0.000 -6.019 0.819) 6.074 23.186 ( 0.000 6.019 0.819) 6.074 23.204 ( 0.000 -5.474 -0.980) 5.561 23.204 ( 0.000 5.474 -0.980) 5.561 24.141 ( 0.000 -0.131 10.339) 10.340 24.141 ( 0.000 0.131 10.339) 10.340 24.374 ( 0.000 -6.318 -10.833) 12.541 24.374 ( 0.000 6.318 -10.833) 12.541 25.883 ( 0.000 -13.582 14.638) 19.968 25.883 ( 0.000 13.582 14.638) 19.968 26.133 ( 0.000 -17.934 -8.577) 19.879 26.133 ( 0.000 17.934 -8.577) 19.879 30.599 ( 0.000 -7.255 1.447) 7.398 30.599 ( 0.000 7.255 1.447) 7.398 30.631 ( 0.000 -8.266 -1.536) 8.407 30.631 ( 0.000 8.266 -1.536) 8.407 30.736 ( 0.000 -2.185 1.532) 2.669 30.736 ( 0.000 2.185 1.532) 2.669 30.760 ( 0.000 -2.566 -0.788) 2.685 30.760 ( 0.000 2.566 -0.788) 2.685 89.056 ( 0.000 -1.955 9.937) 10.128 89.056 ( 0.000 1.955 9.937) 10.128 89.278 ( 0.000 -1.062 -10.810) 10.862 89.278 ( 0.000 1.062 -10.810) 10.862 89.830 ( 0.000 -27.746 30.063) 40.910 89.830 ( 0.000 27.746 30.063) 40.910 90.395 ( 0.000 -39.474 -23.180) 45.777 90.395 ( 0.000 39.474 -23.180) 45.777 ======================= Grid point 200 (72/75) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -8.779 -11.202 4.538) 14.938 1.767 ( -8.779 11.202 4.538) 14.938 1.862 ( -8.341 -11.027 -4.132) 14.430 1.862 ( -8.341 11.027 -4.132) 14.430 2.054 ( -0.236 -5.718 14.716) 15.790 2.054 ( -0.236 5.718 14.716) 15.790 2.289 ( 0.279 -3.733 -6.826) 7.785 2.289 ( 0.279 3.733 -6.826) 7.785 2.738 ( 7.250 -11.501 1.590) 13.688 2.738 ( 7.250 11.501 1.590) 13.688 2.807 ( 6.169 -10.926 -3.789) 13.107 2.807 ( 6.169 10.926 -3.789) 13.107 3.731 ( 2.054 -12.032 10.544) 16.130 3.731 ( 2.054 12.032 10.544) 16.130 3.988 ( -0.293 -9.660 -13.624) 16.704 3.988 ( -0.293 9.660 -13.624) 16.704 4.559 ( 0.559 -5.692 1.773) 5.988 4.559 ( 0.559 5.692 1.773) 5.988 4.614 ( 2.137 -4.968 -3.465) 6.423 4.614 ( 2.137 4.968 -3.465) 6.423 5.486 ( -0.115 -2.732 4.435) 5.210 5.486 ( -0.115 2.732 4.435) 5.210 5.543 ( 1.054 -3.531 -0.614) 3.736 5.543 ( 1.054 3.531 -0.614) 3.736 6.236 ( -2.254 -9.384 1.421) 9.755 6.236 ( -2.254 9.384 1.421) 9.755 6.280 ( -1.251 -9.365 -2.410) 9.751 6.280 ( -1.251 9.365 -2.410) 9.751 6.725 ( -4.591 -1.862 1.050) 5.065 6.725 ( -4.591 1.862 1.050) 5.065 6.738 ( -4.744 -1.387 -0.094) 4.943 6.738 ( -4.744 1.387 -0.094) 4.943 7.119 ( 2.593 -3.732 3.766) 5.902 7.119 ( 2.593 3.732 3.766) 5.902 7.208 ( 2.416 -2.684 -4.576) 5.829 7.208 ( 2.416 2.684 -4.576) 5.829 10.941 ( 2.784 -0.893 0.279) 2.937 10.941 ( 2.784 0.893 0.279) 2.937 10.963 ( 2.922 -0.526 -1.606) 3.375 10.963 ( 2.922 0.526 -1.606) 3.375 11.719 ( -2.614 -1.991 -0.084) 3.287 11.719 ( -2.614 1.991 -0.084) 3.287 11.768 ( -2.836 -2.614 -4.293) 5.771 11.768 ( -2.836 2.614 -4.293) 5.771 12.436 ( 5.369 -8.264 2.636) 10.202 12.436 ( 5.369 8.264 2.636) 10.202 12.477 ( 5.315 -8.434 -0.894) 10.009 12.477 ( 5.315 8.434 -0.894) 10.009 14.522 ( -2.524 -22.491 11.485) 25.380 14.522 ( -2.524 22.491 11.485) 25.380 14.809 ( -4.627 -15.253 -15.684) 22.362 14.809 ( -4.627 15.253 -15.684) 22.362 22.574 ( 1.868 -7.558 6.960) 10.443 22.574 ( 1.868 7.558 6.960) 10.443 22.736 ( 1.514 -7.741 -8.520) 11.611 22.736 ( 1.514 7.741 -8.520) 11.611 23.177 ( -0.816 -3.238 1.262) 3.570 23.177 ( -0.816 3.238 1.262) 3.570 23.204 ( -0.143 -2.775 -1.306) 3.070 23.204 ( -0.143 2.775 -1.306) 3.070 24.151 ( 1.016 -0.307 9.930) 9.986 24.151 ( 1.016 0.307 9.930) 9.986 24.373 ( -0.159 -6.050 -10.156) 11.822 24.373 ( -0.159 6.050 -10.156) 11.822 25.875 ( -0.768 -12.368 13.763) 18.519 25.875 ( -0.768 12.368 13.763) 18.519 26.114 ( -2.008 -16.660 -8.292) 18.717 26.114 ( -2.008 16.660 -8.292) 18.717 30.593 ( -0.492 -6.801 1.456) 6.972 30.593 ( -0.492 6.801 1.456) 6.973 30.629 ( -0.152 -7.773 -1.918) 8.007 30.629 ( -0.152 7.773 -1.918) 8.007 30.747 ( 1.088 -1.588 1.878) 2.689 30.747 ( 1.088 1.588 1.878) 2.689 30.776 ( 1.483 -2.133 -0.880) 2.743 30.776 ( 1.483 2.133 -0.880) 2.743 89.066 ( 1.029 -1.890 10.298) 10.520 89.066 ( 1.029 1.890 10.298) 10.520 89.293 ( 1.512 -1.318 -10.774) 10.959 89.293 ( 1.512 1.318 -10.774) 10.959 89.794 ( -3.568 -25.357 28.717) 38.476 89.794 ( -3.568 25.357 28.717) 38.476 90.342 ( -5.307 -36.935 -22.771) 43.714 90.342 ( -5.307 36.935 -22.771) 43.714 ======================= Grid point 202 (73/75) ======================= q-point: ( 0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -11.784 -14.948 4.482) 19.555 1.560 ( -11.784 14.949 4.482) 19.555 1.646 ( -12.476 -13.567 -3.208) 18.709 1.646 ( -12.476 13.567 -3.208) 18.709 2.088 ( 2.895 -5.889 11.651) 13.372 2.088 ( 2.895 5.889 11.651) 13.372 2.291 ( -0.081 -1.511 -7.193) 7.351 2.291 ( -0.081 1.511 -7.193) 7.351 2.896 ( 8.425 -12.532 2.149) 15.253 2.896 ( 8.425 12.532 2.149) 15.253 2.944 ( 7.335 -10.732 -1.499) 13.085 2.944 ( 7.335 10.732 -1.499) 13.085 3.780 ( 2.773 -8.256 7.071) 11.218 3.780 ( 2.773 8.256 7.071) 11.218 3.974 ( -1.328 -6.503 -10.984) 12.834 3.974 ( -1.328 6.503 -10.984) 12.834 4.578 ( 1.450 -4.527 3.772) 6.068 4.578 ( 1.450 4.527 3.772) 6.068 4.669 ( 3.287 -4.094 -4.788) 7.105 4.669 ( 3.287 4.094 -4.788) 7.105 5.481 ( -0.331 -3.173 5.104) 6.020 5.481 ( -0.331 3.173 5.104) 6.020 5.570 ( 1.452 -4.135 -2.498) 5.044 5.570 ( 1.452 4.135 -2.498) 5.044 6.181 ( -3.021 -7.280 3.134) 8.482 6.181 ( -3.021 7.280 3.134) 8.482 6.254 ( -1.105 -7.830 -3.332) 8.580 6.254 ( -1.105 7.830 -3.332) 8.580 6.615 ( -6.416 -3.990 0.832) 7.602 6.615 ( -6.416 3.990 0.832) 7.602 6.635 ( -5.432 -2.831 -0.902) 6.191 6.635 ( -5.432 2.831 -0.902) 6.191 7.170 ( 2.381 -2.712 3.846) 5.274 7.170 ( 2.381 2.712 3.846) 5.274 7.250 ( 1.624 -1.492 -3.742) 4.343 7.250 ( 1.624 1.492 -3.742) 4.343 11.013 ( 4.440 -3.233 0.365) 5.505 11.013 ( 4.440 3.233 0.365) 5.504 11.038 ( 4.489 -3.299 -1.643) 5.808 11.038 ( 4.489 3.299 -1.643) 5.808 11.658 ( -3.449 -0.969 -0.523) 3.620 11.658 ( -3.449 0.969 -0.523) 3.620 11.701 ( -3.819 -1.441 -4.219) 5.870 11.701 ( -3.819 1.441 -4.219) 5.870 12.572 ( 8.341 -7.802 2.791) 11.757 12.572 ( 8.341 7.802 2.791) 11.757 12.611 ( 8.085 -8.106 -0.503) 11.460 12.611 ( 8.085 8.105 -0.503) 11.460 14.454 ( -4.355 -20.151 9.102) 22.536 14.454 ( -4.355 20.151 9.102) 22.536 14.684 ( -8.022 -13.101 -12.619) 19.880 14.684 ( -8.022 13.101 -12.619) 19.880 22.623 ( 3.038 -7.226 6.488) 10.175 22.623 ( 3.038 7.226 6.488) 10.175 22.770 ( 1.782 -7.123 -7.588) 10.560 22.770 ( 1.782 7.123 -7.588) 10.560 23.159 ( -0.958 -1.207 1.887) 2.436 23.159 ( -0.958 1.207 1.887) 2.436 23.197 ( -0.507 -2.601 -1.830) 3.220 23.197 ( -0.507 2.601 -1.830) 3.220 24.181 ( 2.031 -0.484 8.674) 8.922 24.181 ( 2.031 0.484 8.674) 8.922 24.367 ( -0.428 -5.230 -8.089) 9.642 24.367 ( -0.428 5.230 -8.089) 9.642 25.858 ( -0.781 -9.170 11.175) 14.477 25.858 ( -0.781 9.170 11.175) 14.477 26.060 ( -3.413 -13.462 -7.291) 15.685 26.060 ( -3.413 13.462 -7.291) 15.685 30.584 ( -0.310 -5.962 1.322) 6.115 30.584 ( -0.310 5.962 1.322) 6.115 30.624 ( -0.422 -5.935 -2.322) 6.387 30.624 ( -0.422 5.935 -2.322) 6.387 30.776 ( 1.917 -1.259 2.196) 3.175 30.776 ( 1.917 1.259 2.196) 3.175 30.810 ( 1.884 -1.514 -0.950) 2.597 30.810 ( 1.884 1.514 -0.950) 2.597 89.098 ( 2.288 -1.743 11.276) 11.637 89.098 ( 2.288 1.743 11.276) 11.637 89.334 ( 2.508 -2.011 -9.639) 10.161 89.334 ( 2.508 2.011 -9.639) 10.161 89.707 ( -4.897 -18.820 24.006) 30.894 89.707 ( -4.897 18.820 24.006) 30.894 90.202 ( -8.762 -30.412 -21.447) 38.231 90.202 ( -8.762 30.412 -21.447) 38.231 ======================= Grid point 204 (74/75) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -9.350 -12.516 3.368) 15.982 1.348 ( -9.350 12.516 3.368) 15.982 1.415 ( -10.804 -10.360 -2.771) 15.223 1.415 ( -10.804 10.360 -2.771) 15.223 2.151 ( 3.407 -5.052 8.104) 10.140 2.151 ( 3.407 5.052 8.104) 10.140 2.284 ( -0.750 -0.820 -4.419) 4.556 2.284 ( -0.750 0.820 -4.419) 4.556 3.046 ( 6.808 -8.937 2.094) 11.428 3.046 ( 6.808 8.937 2.094) 11.428 3.074 ( 5.829 -7.528 -0.011) 9.521 3.074 ( 5.829 7.528 -0.011) 9.521 3.827 ( 1.868 -3.798 2.457) 4.894 3.827 ( 1.868 3.798 2.457) 4.894 3.937 ( -2.391 -3.658 -7.783) 8.926 3.937 ( -2.391 3.658 -7.783) 8.926 4.619 ( 2.864 -3.083 5.322) 6.784 4.619 ( 2.864 3.083 5.322) 6.784 4.724 ( 1.951 -3.350 -4.213) 5.725 4.724 ( 1.951 3.350 -4.213) 5.725 5.478 ( 0.272 -3.670 4.384) 5.723 5.478 ( 0.272 3.670 4.384) 5.723 5.584 ( -0.375 -5.233 -4.793) 7.106 5.584 ( -0.375 5.233 -4.793) 7.106 6.142 ( -0.426 -5.755 5.703) 8.114 6.142 ( -0.426 5.755 5.703) 8.114 6.245 ( 0.033 -6.861 -3.262) 7.597 6.245 ( 0.033 6.861 -3.262) 7.597 6.491 ( -6.027 -1.863 0.768) 6.355 6.491 ( -6.027 1.863 0.768) 6.355 6.534 ( -5.029 -0.370 -2.700) 5.720 6.534 ( -5.029 0.370 -2.700) 5.720 7.208 ( 1.670 -1.764 3.184) 4.004 7.208 ( 1.670 1.764 3.184) 4.004 7.266 ( 0.079 -0.549 -2.277) 2.344 7.266 ( 0.079 0.549 -2.277) 2.344 11.101 ( 4.385 -4.040 0.449) 5.979 11.101 ( 4.385 4.040 0.449) 5.979 11.124 ( 4.068 -3.976 -1.347) 5.845 11.124 ( 4.068 3.976 -1.347) 5.845 11.595 ( -2.834 -0.957 -1.344) 3.280 11.595 ( -2.834 0.957 -1.344) 3.280 11.628 ( -3.534 -0.748 -4.149) 5.501 11.628 ( -3.534 0.748 -4.149) 5.501 12.738 ( 8.245 -5.748 2.841) 10.445 12.738 ( 8.245 5.748 2.841) 10.445 12.768 ( 7.583 -5.955 0.293) 9.646 12.768 ( 7.583 5.955 0.293) 9.646 14.367 ( -4.156 -15.656 5.465) 17.096 14.367 ( -4.156 15.656 5.465) 17.096 14.516 ( -8.818 -8.574 -8.544) 14.975 14.516 ( -8.818 8.574 -8.544) 14.975 22.685 ( 3.277 -6.333 5.173) 8.809 22.685 ( 3.277 6.333 5.173) 8.809 22.794 ( 0.486 -4.517 -5.095) 6.826 22.794 ( 0.486 4.517 -5.095) 6.826 23.146 ( -0.296 -0.391 1.533) 1.609 23.146 ( -0.296 0.391 1.533) 1.609 23.184 ( -0.854 -3.950 -2.041) 4.527 23.184 ( -0.854 3.950 -2.041) 4.527 24.228 ( 2.715 -0.591 6.498) 7.067 24.228 ( 2.715 0.591 6.498) 7.067 24.354 ( -1.018 -3.886 -4.723) 6.200 24.354 ( -1.018 3.886 -4.723) 6.200 25.851 ( 0.195 -4.811 7.144) 8.615 25.851 ( 0.195 4.811 7.144) 8.615 25.988 ( -3.837 -9.373 -5.256) 11.410 25.988 ( -3.837 9.373 -5.256) 11.410 30.583 ( 0.159 -4.314 0.802) 4.390 30.583 ( 0.159 4.314 0.802) 4.390 30.613 ( -0.612 -3.245 -1.978) 3.849 30.613 ( -0.612 3.245 -1.978) 3.849 30.815 ( 1.959 -1.728 1.780) 3.161 30.815 ( 1.959 1.728 1.780) 3.161 30.842 ( 1.297 -1.368 -0.668) 2.000 30.842 ( 1.297 1.368 -0.668) 2.000 89.155 ( 3.665 -2.376 12.610) 13.345 89.155 ( 3.665 2.376 12.610) 13.345 89.371 ( 0.338 -4.646 -1.144) 4.797 89.371 ( 0.338 4.646 -1.144) 4.797 89.637 ( -1.193 -7.674 10.502) 13.061 89.637 ( -1.193 7.674 10.502) 13.061 90.019 ( -9.849 -22.177 -19.069) 30.862 90.019 ( -9.849 22.177 -19.069) 30.862 ======================= Grid point 206 (75/75) ======================= q-point: ( 0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.16e-06 1.16e-06 1.16e-06 1.16e-06 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -2.648 -5.531 1.062) 6.224 1.227 ( -2.648 5.531 1.062) 6.224 1.254 ( -5.303 -3.149 -1.400) 6.324 1.254 ( -5.303 3.149 -1.400) 6.324 2.213 ( 2.892 -3.959 4.058) 6.365 2.213 ( 2.892 3.960 4.058) 6.365 2.259 ( -1.836 -2.518 -0.311) 3.132 2.259 ( -1.836 2.518 -0.311) 3.132 3.145 ( 3.024 -3.551 1.695) 4.962 3.145 ( 3.024 3.551 1.695) 4.962 3.154 ( 2.072 -2.466 0.998) 3.372 3.154 ( 2.072 2.466 0.998) 3.372 3.855 ( 1.375 -0.773 -1.625) 2.264 3.855 ( 1.375 0.773 -1.625) 2.264 3.890 ( -2.242 -1.564 -4.789) 5.514 3.890 ( -2.242 1.564 -4.789) 5.514 4.682 ( 3.334 -1.664 4.082) 5.527 4.682 ( 3.334 1.664 4.082) 5.527 4.731 ( -1.297 -1.163 -0.222) 1.756 4.731 ( -1.297 1.163 -0.222) 1.756 5.500 ( 2.119 -1.214 0.442) 2.482 5.500 ( 2.119 1.214 0.442) 2.482 5.551 ( -2.691 -2.972 -3.956) 5.633 5.551 ( -2.691 2.972 -3.956) 5.633 6.172 ( 3.253 -2.815 6.062) 7.433 6.172 ( 3.253 2.815 6.062) 7.433 6.235 ( -2.018 -3.912 1.678) 4.711 6.235 ( -2.018 3.912 1.678) 4.711 6.411 ( -1.148 -0.852 -2.492) 2.873 6.411 ( -1.148 0.852 -2.492) 2.873 6.446 ( -3.788 -1.420 -4.258) 5.874 6.446 ( -3.788 1.420 -4.258) 5.874 7.236 ( 1.266 -0.960 1.687) 2.317 7.236 ( 1.266 0.960 1.687) 2.317 7.257 ( -0.875 -0.242 -0.311) 0.960 7.257 ( -0.875 0.242 -0.311) 0.960 11.170 ( 2.338 -2.075 0.296) 3.140 11.170 ( 2.338 2.075 0.296) 3.140 11.180 ( 1.376 -1.639 -0.495) 2.197 11.180 ( 1.376 1.639 -0.495) 2.197 11.558 ( -0.730 -0.675 -2.648) 2.829 11.558 ( -0.730 0.675 -2.648) 2.829 11.572 ( -2.068 -0.381 -3.777) 4.323 11.572 ( -2.068 0.381 -3.777) 4.323 12.864 ( 4.075 -2.147 2.466) 5.224 12.864 ( 4.075 2.147 2.466) 5.224 12.876 ( 2.891 -2.132 1.452) 3.875 12.876 ( 2.891 2.132 1.452) 3.875 14.317 ( -0.299 -8.337 0.893) 8.390 14.317 ( -0.299 8.337 0.893) 8.390 14.370 ( -5.650 -1.552 -3.988) 7.088 14.370 ( -5.650 1.552 -3.988) 7.088 22.744 ( 2.717 -4.010 2.638) 5.516 22.744 ( 2.717 4.010 2.638) 5.516 22.785 ( -1.398 -0.101 -1.125) 1.797 22.785 ( -1.398 0.101 -1.125) 1.797 23.149 ( 0.623 -2.548 -0.056) 2.624 23.149 ( 0.623 2.548 -0.056) 2.624 23.166 ( -0.993 -4.050 -1.510) 4.435 23.166 ( -0.993 4.050 -1.510) 4.435 24.281 ( 2.663 -1.041 3.345) 4.401 24.281 ( 2.663 1.041 3.345) 4.401 24.326 ( -1.920 -2.292 -0.614) 3.052 24.326 ( -1.920 2.292 -0.614) 3.052 25.870 ( 1.770 -0.161 2.419) 3.002 25.870 ( 1.770 0.161 2.419) 3.002 25.918 ( -3.200 -4.865 -1.963) 6.145 25.918 ( -3.200 4.865 -1.963) 6.145 30.590 ( 0.506 -2.070 -0.077) 2.132 30.590 ( 0.506 2.070 -0.077) 2.132 30.601 ( -0.642 -0.544 -1.103) 1.388 30.601 ( -0.642 0.544 -1.103) 1.388 30.846 ( 1.141 -1.794 0.917) 2.316 30.846 ( 1.141 1.794 0.917) 2.316 30.857 ( 0.125 -1.576 0.008) 1.581 30.857 ( 0.125 1.576 0.008) 1.581 89.237 ( 4.691 -4.613 13.683) 15.182 89.237 ( 4.691 4.613 13.683) 15.182 89.327 ( -4.200 -6.983 11.706) 14.263 89.327 ( -4.200 6.983 11.706) 14.263 89.687 ( 5.858 -6.071 -7.915) 11.568 89.687 ( 5.858 6.071 -7.915) 11.568 89.834 ( -8.951 -14.021 -15.339) 22.627 89.834 ( -8.951 14.021 -15.339) 22.627 =================== 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 3/30240 10.0 198.235 211.981 168.642 0.000 0.000 -0.000 3/30240 20.0 73.770 88.254 61.593 0.000 0.000 -0.000 3/30240 30.0 39.912 47.159 32.635 0.000 0.000 -0.000 3/30240 40.0 25.529 29.734 20.851 0.000 0.000 -0.000 3/30240 50.0 18.156 20.958 14.862 0.000 0.000 -0.000 3/30240 60.0 13.889 15.940 11.394 0.000 0.000 -0.000 3/30240 70.0 11.183 12.783 9.188 0.000 0.000 -0.000 3/30240 80.0 9.341 10.644 7.681 0.000 0.000 -0.000 3/30240 90.0 8.016 9.112 6.594 0.000 0.000 -0.000 3/30240 100.0 7.020 7.964 5.776 0.000 0.000 -0.000 3/30240 110.0 6.245 7.073 5.140 0.000 0.000 -0.000 3/30240 120.0 5.627 6.364 4.632 0.000 0.000 -0.000 3/30240 130.0 5.122 5.786 4.218 0.000 0.000 -0.000 3/30240 140.0 4.702 5.306 3.874 0.000 0.000 -0.000 3/30240 150.0 4.348 4.902 3.585 0.000 0.000 -0.000 3/30240 160.0 4.045 4.557 3.338 0.000 0.000 -0.000 3/30240 170.0 3.784 4.259 3.125 0.000 0.000 -0.000 3/30240 180.0 3.555 4.000 2.940 0.000 0.000 -0.000 3/30240 190.0 3.354 3.771 2.777 0.000 0.000 -0.000 3/30240 200.0 3.175 3.570 2.633 0.000 0.000 -0.000 3/30240 210.0 3.016 3.390 2.504 0.000 0.000 -0.000 3/30240 220.0 2.872 3.228 2.389 0.000 0.000 -0.000 3/30240 230.0 2.743 3.082 2.285 0.000 0.000 -0.000 3/30240 240.0 2.625 2.950 2.190 0.000 0.000 -0.000 3/30240 250.0 2.518 2.830 2.104 0.000 0.000 -0.000 3/30240 260.0 2.420 2.720 2.026 0.000 0.000 -0.000 3/30240 270.0 2.329 2.618 1.953 0.000 0.000 -0.000 3/30240 280.0 2.246 2.525 1.886 0.000 0.000 -0.000 3/30240 290.0 2.168 2.439 1.824 0.000 0.000 -0.000 3/30240 300.0 2.096 2.358 1.767 0.000 0.000 -0.000 3/30240 310.0 2.029 2.284 1.713 0.000 0.000 -0.000 3/30240 320.0 1.966 2.214 1.663 0.000 0.000 -0.000 3/30240 330.0 1.908 2.149 1.616 0.000 0.000 -0.000 3/30240 340.0 1.853 2.088 1.571 0.000 0.000 -0.000 3/30240 350.0 1.801 2.030 1.530 0.000 0.000 -0.000 3/30240 360.0 1.752 1.976 1.490 0.000 0.000 -0.000 3/30240 370.0 1.706 1.924 1.453 0.000 0.000 -0.000 3/30240 380.0 1.662 1.876 1.417 0.000 0.000 -0.000 3/30240 390.0 1.620 1.830 1.384 0.000 0.000 -0.000 3/30240 400.0 1.581 1.786 1.352 0.000 0.000 -0.000 3/30240 410.0 1.543 1.745 1.321 0.000 0.000 -0.000 3/30240 420.0 1.508 1.705 1.292 0.000 0.000 -0.000 3/30240 430.0 1.474 1.668 1.265 0.000 0.000 -0.000 3/30240 440.0 1.441 1.632 1.238 0.000 0.000 -0.000 3/30240 450.0 1.410 1.597 1.213 0.000 0.000 -0.000 3/30240 460.0 1.381 1.564 1.188 0.000 0.000 -0.000 3/30240 470.0 1.352 1.533 1.165 0.000 0.000 -0.000 3/30240 480.0 1.325 1.502 1.142 0.000 0.000 -0.000 3/30240 490.0 1.299 1.473 1.121 0.000 0.000 -0.000 3/30240 500.0 1.274 1.445 1.100 0.000 0.000 -0.000 3/30240 510.0 1.249 1.419 1.080 0.000 0.000 -0.000 3/30240 520.0 1.226 1.393 1.061 0.000 0.000 -0.000 3/30240 530.0 1.204 1.368 1.042 0.000 0.000 -0.000 3/30240 540.0 1.182 1.344 1.024 0.000 0.000 -0.000 3/30240 550.0 1.161 1.321 1.007 0.000 0.000 -0.000 3/30240 560.0 1.141 1.298 0.990 0.000 0.000 -0.000 3/30240 570.0 1.122 1.277 0.974 0.000 0.000 -0.000 3/30240 580.0 1.103 1.256 0.958 0.000 0.000 -0.000 3/30240 590.0 1.085 1.235 0.943 0.000 0.000 -0.000 3/30240 600.0 1.067 1.216 0.928 0.000 0.000 -0.000 3/30240 610.0 1.050 1.197 0.914 0.000 0.000 -0.000 3/30240 620.0 1.034 1.179 0.900 0.000 0.000 -0.000 3/30240 630.0 1.018 1.161 0.886 0.000 0.000 -0.000 3/30240 640.0 1.003 1.144 0.873 0.000 0.000 -0.000 3/30240 650.0 0.988 1.127 0.861 0.000 0.000 -0.000 3/30240 660.0 0.973 1.110 0.848 0.000 0.000 -0.000 3/30240 670.0 0.959 1.095 0.836 0.000 0.000 -0.000 3/30240 680.0 0.945 1.079 0.825 0.000 0.000 -0.000 3/30240 690.0 0.932 1.064 0.813 0.000 0.000 -0.000 3/30240 700.0 0.919 1.050 0.802 0.000 0.000 -0.000 3/30240 710.0 0.906 1.036 0.792 0.000 0.000 -0.000 3/30240 720.0 0.894 1.022 0.781 0.000 0.000 -0.000 3/30240 730.0 0.882 1.009 0.771 0.000 0.000 -0.000 3/30240 740.0 0.870 0.995 0.761 0.000 0.000 -0.000 3/30240 750.0 0.859 0.983 0.751 0.000 0.000 -0.000 3/30240 760.0 0.848 0.970 0.742 0.000 0.000 -0.000 3/30240 770.0 0.837 0.958 0.733 0.000 0.000 -0.000 3/30240 780.0 0.827 0.946 0.724 0.000 0.000 -0.000 3/30240 790.0 0.817 0.935 0.715 0.000 0.000 -0.000 3/30240 800.0 0.807 0.924 0.706 0.000 0.000 -0.000 3/30240 810.0 0.797 0.913 0.698 0.000 0.000 -0.000 3/30240 820.0 0.787 0.902 0.690 0.000 0.000 -0.000 3/30240 830.0 0.778 0.892 0.682 0.000 0.000 -0.000 3/30240 840.0 0.769 0.881 0.674 0.000 0.000 -0.000 3/30240 850.0 0.760 0.871 0.667 0.000 0.000 -0.000 3/30240 860.0 0.751 0.862 0.659 0.000 0.000 -0.000 3/30240 870.0 0.743 0.852 0.652 0.000 0.000 -0.000 3/30240 880.0 0.735 0.843 0.645 0.000 0.000 -0.000 3/30240 890.0 0.727 0.834 0.638 0.000 0.000 -0.000 3/30240 900.0 0.719 0.825 0.631 0.000 0.000 -0.000 3/30240 910.0 0.711 0.816 0.624 0.000 0.000 -0.000 3/30240 920.0 0.703 0.807 0.618 0.000 0.000 -0.000 3/30240 930.0 0.696 0.799 0.611 0.000 0.000 -0.000 3/30240 940.0 0.689 0.791 0.605 0.000 0.000 -0.000 3/30240 950.0 0.682 0.783 0.599 0.000 0.000 -0.000 3/30240 960.0 0.675 0.775 0.593 0.000 0.000 -0.000 3/30240 970.0 0.668 0.767 0.587 0.000 0.000 -0.000 3/30240 980.0 0.661 0.759 0.581 0.000 0.000 -0.000 3/30240 990.0 0.654 0.752 0.575 0.000 0.000 -0.000 3/30240 1000.0 0.648 0.745 0.570 0.000 0.000 -0.000 3/30240 Thermal conductivity related properties were written into "kappa-m985.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:53:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|