# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/eebcbf18-62ab-44e5-a4d4-264f9c687627/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Si(HgO2)2 / Fddd (70) / materials id 779704](https://mdr.nims.go.jp/datasets/564e1524-2868-4f07-9db5-2c05ec5e858e) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 03:44:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fddd (70)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 5.391662980000000 5.666032659999999 b 3.229479520000000 0.000000000000000 5.666032659999999 c 3.229479520000000 5.391662980000000 0.000000000000000Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 2 Si 0.25000000000000 0.25000000000000 0.25000000000000 28.085 *3 Hg 0.93365430846050 0.56634569153950 0.93365430846050 200.590 4 Hg 0.56634569153950 0.93365430846050 0.56634569153950 200.590 5 Hg 0.31634569153950 0.68365430846050 0.31634569153950 200.590 6 Hg 0.68365430846050 0.31634569153950 0.68365430846050 200.590 *7 O 0.84442588910895 0.31704383917699 0.96549055178051 15.999 8 O 0.87303971993355 0.96549055178051 0.31704383917699 15.999 9 O 0.31704383917699 0.84442588910895 0.87303971993355 15.999 10 O 0.96549055178051 0.87303971993355 0.84442588910896 15.999 11 O 0.28450944821950 0.37696028006645 0.40557411089105 15.999 12 O 0.93295616082301 0.40557411089105 0.37696028006645 15.999 13 O 0.37696028006645 0.28450944821949 0.93295616082301 15.999 14 O 0.40557411089105 0.93295616082301 0.28450944821949 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.458959040000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.783325960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.332065319999998Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 1 2 Si 0.75000000000000 0.75000000000000 0.25000000000000 28.085 > 2 3 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 1 4 Si 0.75000000000000 0.25000000000000 0.75000000000000 28.085 > 2 5 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 1 6 Si 0.25000000000000 0.75000000000000 0.75000000000000 28.085 > 2 7 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 1 8 Si 0.25000000000000 0.25000000000000 0.25000000000000 28.085 > 2 *9 Hg 0.75000000000000 0.43365430846050 0.25000000000000 200.590 > 3 10 Hg 0.75000000000000 0.06634569153950 0.25000000000000 200.590 > 4 11 Hg 0.50000000000000 0.81634569153950 0.00000000000000 200.590 > 5 12 Hg 0.50000000000000 0.18365430846050 0.00000000000000 200.590 > 6 13 Hg 0.75000000000000 0.93365430846050 0.75000000000000 200.590 > 3 14 Hg 0.75000000000000 0.56634569153950 0.75000000000000 200.590 > 4 15 Hg 0.50000000000000 0.31634569153950 0.50000000000000 200.590 > 5 16 Hg 0.50000000000000 0.68365430846050 0.50000000000000 200.590 > 6 17 Hg 0.25000000000000 0.43365430846050 0.75000000000000 200.590 > 3 18 Hg 0.25000000000000 0.06634569153950 0.75000000000000 200.590 > 4 19 Hg 0.00000000000000 0.81634569153950 0.50000000000000 200.590 > 5 20 Hg 0.00000000000000 0.18365430846050 0.50000000000000 200.590 > 6 21 Hg 0.25000000000000 0.93365430846050 0.25000000000000 200.590 > 3 22 Hg 0.25000000000000 0.56634569153950 0.25000000000000 200.590 > 4 23 Hg 0.00000000000000 0.31634569153950 0.00000000000000 200.590 > 5 24 Hg 0.00000000000000 0.68365430846050 0.00000000000000 200.590 > 6 *25 O 0.64126719547875 0.40495822044473 0.08073486414297 15.999 > 7 26 O 0.64126719547875 0.09504177955527 0.41926513585703 15.999 > 8 27 O 0.85873280452125 0.09504177955527 0.08073486414297 15.999 > 9 28 O 0.85873280452125 0.40495822044473 0.41926513585703 15.999 > 10 29 O 0.89126719547875 0.84504177955527 0.33073486414297 15.999 > 11 30 O 0.39126719547875 0.15495822044473 0.16926513585703 15.999 > 12 31 O 0.10873280452125 0.15495822044473 0.33073486414297 15.999 > 13 32 O 0.60873280452125 0.84504177955527 0.16926513585703 15.999 > 14 33 O 0.64126719547875 0.90495822044473 0.58073486414297 15.999 > 7 34 O 0.64126719547875 0.59504177955527 0.91926513585703 15.999 > 8 35 O 0.85873280452125 0.59504177955527 0.58073486414297 15.999 > 9 36 O 0.85873280452125 0.90495822044473 0.91926513585703 15.999 > 10 37 O 0.89126719547875 0.34504177955527 0.83073486414297 15.999 > 11 38 O 0.39126719547875 0.65495822044473 0.66926513585703 15.999 > 12 39 O 0.10873280452125 0.65495822044473 0.83073486414297 15.999 > 13 40 O 0.60873280452125 0.34504177955527 0.66926513585703 15.999 > 14 41 O 0.14126719547875 0.40495822044473 0.58073486414297 15.999 > 7 42 O 0.14126719547875 0.09504177955527 0.91926513585703 15.999 > 8 43 O 0.35873280452125 0.09504177955527 0.58073486414297 15.999 > 9 44 O 0.35873280452125 0.40495822044473 0.91926513585703 15.999 > 10 45 O 0.39126719547875 0.84504177955527 0.83073486414297 15.999 > 11 46 O 0.89126719547875 0.15495822044473 0.66926513585703 15.999 > 12 47 O 0.60873280452125 0.15495822044473 0.83073486414297 15.999 > 13 48 O 0.10873280452125 0.84504177955527 0.66926513585703 15.999 > 14 49 O 0.14126719547875 0.90495822044473 0.08073486414297 15.999 > 7 50 O 0.14126719547875 0.59504177955527 0.41926513585703 15.999 > 8 51 O 0.35873280452125 0.59504177955527 0.08073486414297 15.999 > 9 52 O 0.35873280452125 0.90495822044473 0.41926513585703 15.999 > 10 53 O 0.39126719547875 0.34504177955527 0.33073486414297 15.999 > 11 54 O 0.89126719547875 0.65495822044473 0.16926513585703 15.999 > 12 55 O 0.60873280452125 0.65495822044473 0.33073486414297 15.999 > 13 56 O 0.10873280452125 0.34504177955527 0.16926513585703 15.999 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 12.917918080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.783325960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.332065319999998Atomic positions (fractional): *1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 1 3 Si 0.37500000000000 0.75000000000000 0.25000000000000 28.085 > 2 4 Si 0.87500000000000 0.75000000000000 0.25000000000000 28.085 > 2 5 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 1 6 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 1 7 Si 0.37500000000000 0.25000000000000 0.75000000000000 28.085 > 2 8 Si 0.87500000000000 0.25000000000000 0.75000000000000 28.085 > 2 9 Si 0.25000000000000 0.00000000000000 0.50000000000000 28.085 > 1 10 Si 0.75000000000000 0.00000000000000 0.50000000000000 28.085 > 1 11 Si 0.12500000000000 0.75000000000000 0.75000000000000 28.085 > 2 12 Si 0.62500000000000 0.75000000000000 0.75000000000000 28.085 > 2 13 Si 0.25000000000000 0.50000000000000 0.00000000000000 28.085 > 1 14 Si 0.75000000000000 0.50000000000000 0.00000000000000 28.085 > 1 15 Si 0.12500000000000 0.25000000000000 0.25000000000000 28.085 > 2 16 Si 0.62500000000000 0.25000000000000 0.25000000000000 28.085 > 2 *17 Hg 0.37500000000000 0.43365430846050 0.25000000000000 200.590 > 3 18 Hg 0.87500000000000 0.43365430846050 0.25000000000000 200.590 > 3 19 Hg 0.37500000000000 0.06634569153950 0.25000000000000 200.590 > 4 20 Hg 0.87500000000000 0.06634569153950 0.25000000000000 200.590 > 4 21 Hg 0.25000000000000 0.81634569153950 0.00000000000000 200.590 > 5 22 Hg 0.75000000000000 0.81634569153950 0.00000000000000 200.590 > 5 23 Hg 0.25000000000000 0.18365430846050 0.00000000000000 200.590 > 6 24 Hg 0.75000000000000 0.18365430846050 0.00000000000000 200.590 > 6 25 Hg 0.37500000000000 0.93365430846050 0.75000000000000 200.590 > 3 26 Hg 0.87500000000000 0.93365430846050 0.75000000000000 200.590 > 3 27 Hg 0.37500000000000 0.56634569153950 0.75000000000000 200.590 > 4 28 Hg 0.87500000000000 0.56634569153950 0.75000000000000 200.590 > 4 29 Hg 0.25000000000000 0.31634569153950 0.50000000000000 200.590 > 5 30 Hg 0.75000000000000 0.31634569153950 0.50000000000000 200.590 > 5 31 Hg 0.25000000000000 0.68365430846050 0.50000000000000 200.590 > 6 32 Hg 0.75000000000000 0.68365430846050 0.50000000000000 200.590 > 6 33 Hg 0.12500000000000 0.43365430846050 0.75000000000000 200.590 > 3 34 Hg 0.62500000000000 0.43365430846050 0.75000000000000 200.590 > 3 35 Hg 0.12500000000000 0.06634569153950 0.75000000000000 200.590 > 4 36 Hg 0.62500000000000 0.06634569153950 0.75000000000000 200.590 > 4 37 Hg 0.00000000000000 0.81634569153950 0.50000000000000 200.590 > 5 38 Hg 0.50000000000000 0.81634569153950 0.50000000000000 200.590 > 5 39 Hg 0.00000000000000 0.18365430846050 0.50000000000000 200.590 > 6 40 Hg 0.50000000000000 0.18365430846050 0.50000000000000 200.590 > 6 41 Hg 0.12500000000000 0.93365430846050 0.25000000000000 200.590 > 3 42 Hg 0.62500000000000 0.93365430846050 0.25000000000000 200.590 > 3 43 Hg 0.12500000000000 0.56634569153950 0.25000000000000 200.590 > 4 44 Hg 0.62500000000000 0.56634569153950 0.25000000000000 200.590 > 4 45 Hg 0.00000000000000 0.31634569153950 0.00000000000000 200.590 > 5 46 Hg 0.50000000000000 0.31634569153950 0.00000000000000 200.590 > 5 47 Hg 0.00000000000000 0.68365430846050 0.00000000000000 200.590 > 6 48 Hg 0.50000000000000 0.68365430846050 0.00000000000000 200.590 > 6 *49 O 0.32063359773937 0.40495822044473 0.08073486414297 15.999 > 7 50 O 0.82063359773937 0.40495822044473 0.08073486414297 15.999 > 7 51 O 0.32063359773937 0.09504177955527 0.41926513585703 15.999 > 8 52 O 0.82063359773937 0.09504177955527 0.41926513585703 15.999 > 8 53 O 0.42936640226063 0.09504177955527 0.08073486414297 15.999 > 9 54 O 0.92936640226063 0.09504177955527 0.08073486414297 15.999 > 9 55 O 0.42936640226063 0.40495822044473 0.41926513585703 15.999 > 10 56 O 0.92936640226063 0.40495822044473 0.41926513585703 15.999 > 10 57 O 0.44563359773937 0.84504177955527 0.33073486414297 15.999 > 11 58 O 0.94563359773937 0.84504177955527 0.33073486414297 15.999 > 11 59 O 0.19563359773937 0.15495822044473 0.16926513585703 15.999 > 12 60 O 0.69563359773937 0.15495822044473 0.16926513585703 15.999 > 12 61 O 0.05436640226063 0.15495822044473 0.33073486414297 15.999 > 13 62 O 0.55436640226063 0.15495822044473 0.33073486414297 15.999 > 13 63 O 0.30436640226063 0.84504177955527 0.16926513585703 15.999 > 14 64 O 0.80436640226063 0.84504177955527 0.16926513585703 15.999 > 14 65 O 0.32063359773937 0.90495822044473 0.58073486414297 15.999 > 7 66 O 0.82063359773937 0.90495822044473 0.58073486414297 15.999 > 7 67 O 0.32063359773937 0.59504177955527 0.91926513585703 15.999 > 8 68 O 0.82063359773937 0.59504177955527 0.91926513585703 15.999 > 8 69 O 0.42936640226063 0.59504177955527 0.58073486414297 15.999 > 9 70 O 0.92936640226063 0.59504177955527 0.58073486414297 15.999 > 9 71 O 0.42936640226063 0.90495822044473 0.91926513585703 15.999 > 10 72 O 0.92936640226063 0.90495822044473 0.91926513585703 15.999 > 10 73 O 0.44563359773937 0.34504177955527 0.83073486414297 15.999 > 11 74 O 0.94563359773937 0.34504177955527 0.83073486414297 15.999 > 11 75 O 0.19563359773937 0.65495822044473 0.66926513585703 15.999 > 12 76 O 0.69563359773937 0.65495822044473 0.66926513585703 15.999 > 12 77 O 0.05436640226063 0.65495822044473 0.83073486414297 15.999 > 13 78 O 0.55436640226063 0.65495822044473 0.83073486414297 15.999 > 13 79 O 0.30436640226063 0.34504177955527 0.66926513585703 15.999 > 14 80 O 0.80436640226063 0.34504177955527 0.66926513585703 15.999 > 14 81 O 0.07063359773937 0.40495822044473 0.58073486414297 15.999 > 7 82 O 0.57063359773937 0.40495822044473 0.58073486414297 15.999 > 7 83 O 0.07063359773937 0.09504177955527 0.91926513585703 15.999 > 8 84 O 0.57063359773937 0.09504177955527 0.91926513585703 15.999 > 8 85 O 0.17936640226063 0.09504177955527 0.58073486414297 15.999 > 9 86 O 0.67936640226063 0.09504177955527 0.58073486414297 15.999 > 9 87 O 0.17936640226063 0.40495822044473 0.91926513585703 15.999 > 10 88 O 0.67936640226063 0.40495822044473 0.91926513585703 15.999 > 10 89 O 0.19563359773937 0.84504177955527 0.83073486414297 15.999 > 11 90 O 0.69563359773937 0.84504177955527 0.83073486414297 15.999 > 11 91 O 0.44563359773937 0.15495822044473 0.66926513585703 15.999 > 12 92 O 0.94563359773937 0.15495822044473 0.66926513585703 15.999 > 12 93 O 0.30436640226063 0.15495822044473 0.83073486414297 15.999 > 13 94 O 0.80436640226063 0.15495822044473 0.83073486414297 15.999 > 13 95 O 0.05436640226063 0.84504177955527 0.66926513585703 15.999 > 14 96 O 0.55436640226063 0.84504177955527 0.66926513585703 15.999 > 14 97 O 0.07063359773937 0.90495822044473 0.08073486414297 15.999 > 7 98 O 0.57063359773937 0.90495822044473 0.08073486414297 15.999 > 7 99 O 0.07063359773937 0.59504177955527 0.41926513585703 15.999 > 8 100 O 0.57063359773937 0.59504177955527 0.41926513585703 15.999 > 8 101 O 0.17936640226063 0.59504177955527 0.08073486414297 15.999 > 9 102 O 0.67936640226063 0.59504177955527 0.08073486414297 15.999 > 9 103 O 0.17936640226063 0.90495822044473 0.41926513585703 15.999 > 10 104 O 0.67936640226063 0.90495822044473 0.41926513585703 15.999 > 10 105 O 0.19563359773937 0.34504177955527 0.33073486414297 15.999 > 11 106 O 0.69563359773937 0.34504177955527 0.33073486414297 15.999 > 11 107 O 0.44563359773937 0.65495822044473 0.16926513585703 15.999 > 12 108 O 0.94563359773937 0.65495822044473 0.16926513585703 15.999 > 12 109 O 0.30436640226063 0.65495822044473 0.33073486414297 15.999 > 13 110 O 0.80436640226063 0.65495822044473 0.33073486414297 15.999 > 13 111 O 0.05436640226063 0.34504177955527 0.16926513585703 15.999 > 14 112 O 0.55436640226063 0.34504177955527 0.16926513585703 15.999 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.3666614 0.0000000 0.0000000 0.0000000 4.2047246 0.0000000 0.0000000 0.0000000 5.2222711-------------------------- Born effective charges -------------------------- 1 Si 3.3034946 0.0000000 0.0000000 0.0000000 3.0454948 0.0000000 0.0000000 0.0000000 3.6293226 2 Si 3.3034946 0.0000000 0.0000000 0.0000000 3.0454948 0.0000000 0.0000000 0.0000000 3.6293226 3 Hg 2.1365861 0.0000000 0.2132016 0.0000000 1.8550111 0.0000000 0.1214039 0.0000000 2.7910880 4 Hg 2.1365861 0.0000000 -0.2132016 0.0000000 1.8550111 0.0000000 -0.1214039 0.0000000 2.7910880 5 Hg 2.1365861 0.0000000 0.2132016 0.0000000 1.8550111 0.0000000 0.1214039 0.0000000 2.7910880 6 Hg 2.1365861 0.0000000 -0.2132016 0.0000000 1.8550111 0.0000000 -0.1214039 0.0000000 2.7910880 7 O -1.8941667 0.4367824 -0.5622244 0.2824534 -1.6888793 -0.0889674 -0.6177802 0.3579772 -2.3028746 8 O -1.8941667 -0.4367824 0.5622244 -0.2824534 -1.6888793 -0.0889674 0.6177802 0.3579772 -2.3028746 9 O -1.8941667 0.4367824 0.5622244 0.2824534 -1.6888793 0.0889674 0.6177802 -0.3579772 -2.3028746 10 O -1.8941667 -0.4367824 -0.5622244 -0.2824534 -1.6888793 0.0889674 -0.6177802 -0.3579772 -2.3028746 11 O -1.8941667 -0.4367824 -0.5622244 -0.2824534 -1.6888793 0.0889674 -0.6177802 -0.3579772 -2.3028746 12 O -1.8941667 0.4367824 0.5622244 0.2824534 -1.6888793 0.0889674 0.6177802 -0.3579772 -2.3028746 13 O -1.8941667 -0.4367824 0.5622244 -0.2824534 -1.6888793 -0.0889674 0.6177802 0.3579772 -2.3028746 14 O -1.8941667 0.4367824 -0.5622244 0.2824534 -1.6888793 -0.0889674 -0.6177802 0.3579772 -2.3028746----------------------------------------------------------------------------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: 336/336Permutation basis: 9366/9366Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 972Number of blocks in projector: 972Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 202Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 132Use standard eigh solver.Tree of FC basis block matrices:- (972, 955), data: False|-- (132, 129), data: True|-- (132, 129), data: True|-- (132, 129), data: True|-- (186, 184), data: True|-- (188, 186), data: True|-- (202, 198), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 240 - Time: 1.098Solver_block: 200 / 240 - Time: 1.047Solver_block: 240 / 240 - Time: 0.492Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.660--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336Permutation basis: 9366/9366Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 972Number of blocks in projector: 972Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 202Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 188Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 132Use standard eigh solver.Tree of FC basis block matrices:- (972, 955), data: False|-- (132, 129), data: True|-- (132, 129), data: True|-- (132, 129), data: True|-- (186, 184), data: True|-- (188, 186), data: True|-- (202, 198), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-09 03:44:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 03:44:47]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 1]Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fddd (70)------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 5.391662980000000 5.666032659999999 b 3.229479520000000 0.000000000000000 5.666032659999999 c 3.229479520000000 5.391662980000000 0.000000000000000Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 2 Si 0.25000000000000 0.25000000000000 0.25000000000000 28.085 3 Hg 0.93365430846050 0.56634569153950 0.93365430846050 200.590 4 Hg 0.56634569153950 0.93365430846050 0.56634569153950 200.590 5 Hg 0.31634569153950 0.68365430846050 0.31634569153950 200.590 6 Hg 0.68365430846050 0.31634569153950 0.68365430846050 200.590 7 O 0.84442588910895 0.31704383917699 0.96549055178051 15.999 8 O 0.87303971993355 0.96549055178051 0.31704383917699 15.999 9 O 0.31704383917699 0.84442588910895 0.87303971993355 15.999 10 O 0.96549055178051 0.87303971993355 0.84442588910896 15.999 11 O 0.28450944821950 0.37696028006645 0.40557411089105 15.999 12 O 0.93295616082301 0.40557411089105 0.37696028006645 15.999 13 O 0.37696028006645 0.28450944821949 0.93295616082301 15.999 14 O 0.40557411089105 0.93295616082301 0.28450944821949 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 12.917918080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.783325960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.332065319999998Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 1 3 Si 0.37500000000000 0.75000000000000 0.25000000000000 28.085 > 3 4 Si 0.87500000000000 0.75000000000000 0.25000000000000 28.085 > 3 5 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 1 6 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 1 7 Si 0.37500000000000 0.25000000000000 0.75000000000000 28.085 > 3 8 Si 0.87500000000000 0.25000000000000 0.75000000000000 28.085 > 3 9 Si 0.25000000000000 0.00000000000000 0.50000000000000 28.085 > 1 10 Si 0.75000000000000 0.00000000000000 0.50000000000000 28.085 > 1 11 Si 0.12500000000000 0.75000000000000 0.75000000000000 28.085 > 3 12 Si 0.62500000000000 0.75000000000000 0.75000000000000 28.085 > 3 13 Si 0.25000000000000 0.50000000000000 0.00000000000000 28.085 > 1 14 Si 0.75000000000000 0.50000000000000 0.00000000000000 28.085 > 1 15 Si 0.12500000000000 0.25000000000000 0.25000000000000 28.085 > 3 16 Si 0.62500000000000 0.25000000000000 0.25000000000000 28.085 > 3 17 Hg 0.37500000000000 0.43365430846050 0.25000000000000 200.590 > 17 18 Hg 0.87500000000000 0.43365430846050 0.25000000000000 200.590 > 17 19 Hg 0.37500000000000 0.06634569153950 0.25000000000000 200.590 > 19 20 Hg 0.87500000000000 0.06634569153950 0.25000000000000 200.590 > 19 21 Hg 0.25000000000000 0.81634569153950 0.00000000000000 200.590 > 21 22 Hg 0.75000000000000 0.81634569153950 0.00000000000000 200.590 > 21 23 Hg 0.25000000000000 0.18365430846050 0.00000000000000 200.590 > 23 24 Hg 0.75000000000000 0.18365430846050 0.00000000000000 200.590 > 23 25 Hg 0.37500000000000 0.93365430846050 0.75000000000000 200.590 > 17 26 Hg 0.87500000000000 0.93365430846050 0.75000000000000 200.590 > 17 27 Hg 0.37500000000000 0.56634569153950 0.75000000000000 200.590 > 19 28 Hg 0.87500000000000 0.56634569153950 0.75000000000000 200.590 > 19 29 Hg 0.25000000000000 0.31634569153950 0.50000000000000 200.590 > 21 30 Hg 0.75000000000000 0.31634569153950 0.50000000000000 200.590 > 21 31 Hg 0.25000000000000 0.68365430846050 0.50000000000000 200.590 > 23 32 Hg 0.75000000000000 0.68365430846050 0.50000000000000 200.590 > 23 33 Hg 0.12500000000000 0.43365430846050 0.75000000000000 200.590 > 17 34 Hg 0.62500000000000 0.43365430846050 0.75000000000000 200.590 > 17 35 Hg 0.12500000000000 0.06634569153950 0.75000000000000 200.590 > 19 36 Hg 0.62500000000000 0.06634569153950 0.75000000000000 200.590 > 19 37 Hg 0.00000000000000 0.81634569153950 0.50000000000000 200.590 > 21 38 Hg 0.50000000000000 0.81634569153950 0.50000000000000 200.590 > 21 39 Hg 0.00000000000000 0.18365430846050 0.50000000000000 200.590 > 23 40 Hg 0.50000000000000 0.18365430846050 0.50000000000000 200.590 > 23 41 Hg 0.12500000000000 0.93365430846050 0.25000000000000 200.590 > 17 42 Hg 0.62500000000000 0.93365430846050 0.25000000000000 200.590 > 17 43 Hg 0.12500000000000 0.56634569153950 0.25000000000000 200.590 > 19 44 Hg 0.62500000000000 0.56634569153950 0.25000000000000 200.590 > 19 45 Hg 0.00000000000000 0.31634569153950 0.00000000000000 200.590 > 21 46 Hg 0.50000000000000 0.31634569153950 0.00000000000000 200.590 > 21 47 Hg 0.00000000000000 0.68365430846050 0.00000000000000 200.590 > 23 48 Hg 0.50000000000000 0.68365430846050 0.00000000000000 200.590 > 23 49 O 0.32063359773937 0.40495822044473 0.08073486414297 15.999 > 49 50 O 0.82063359773937 0.40495822044473 0.08073486414297 15.999 > 49 51 O 0.32063359773937 0.09504177955527 0.41926513585703 15.999 > 51 52 O 0.82063359773937 0.09504177955527 0.41926513585703 15.999 > 51 53 O 0.42936640226063 0.09504177955527 0.08073486414297 15.999 > 53 54 O 0.92936640226063 0.09504177955527 0.08073486414297 15.999 > 53 55 O 0.42936640226063 0.40495822044473 0.41926513585703 15.999 > 55 56 O 0.92936640226063 0.40495822044473 0.41926513585703 15.999 > 55 57 O 0.44563359773937 0.84504177955527 0.33073486414297 15.999 > 57 58 O 0.94563359773937 0.84504177955527 0.33073486414297 15.999 > 57 59 O 0.19563359773937 0.15495822044473 0.16926513585703 15.999 > 59 60 O 0.69563359773937 0.15495822044473 0.16926513585703 15.999 > 59 61 O 0.05436640226063 0.15495822044473 0.33073486414297 15.999 > 61 62 O 0.55436640226063 0.15495822044473 0.33073486414297 15.999 > 61 63 O 0.30436640226063 0.84504177955527 0.16926513585703 15.999 > 63 64 O 0.80436640226063 0.84504177955527 0.16926513585703 15.999 > 63 65 O 0.32063359773937 0.90495822044473 0.58073486414297 15.999 > 49 66 O 0.82063359773937 0.90495822044473 0.58073486414297 15.999 > 49 67 O 0.32063359773937 0.59504177955527 0.91926513585703 15.999 > 51 68 O 0.82063359773937 0.59504177955527 0.91926513585703 15.999 > 51 69 O 0.42936640226063 0.59504177955527 0.58073486414297 15.999 > 53 70 O 0.92936640226063 0.59504177955527 0.58073486414297 15.999 > 53 71 O 0.42936640226063 0.90495822044473 0.91926513585703 15.999 > 55 72 O 0.92936640226063 0.90495822044473 0.91926513585703 15.999 > 55 73 O 0.44563359773937 0.34504177955527 0.83073486414297 15.999 > 57 74 O 0.94563359773937 0.34504177955527 0.83073486414297 15.999 > 57 75 O 0.19563359773937 0.65495822044473 0.66926513585703 15.999 > 59 76 O 0.69563359773937 0.65495822044473 0.66926513585703 15.999 > 59 77 O 0.05436640226063 0.65495822044473 0.83073486414297 15.999 > 61 78 O 0.55436640226063 0.65495822044473 0.83073486414297 15.999 > 61 79 O 0.30436640226063 0.34504177955527 0.66926513585703 15.999 > 63 80 O 0.80436640226063 0.34504177955527 0.66926513585703 15.999 > 63 81 O 0.07063359773937 0.40495822044473 0.58073486414297 15.999 > 49 82 O 0.57063359773937 0.40495822044473 0.58073486414297 15.999 > 49 83 O 0.07063359773937 0.09504177955527 0.91926513585703 15.999 > 51 84 O 0.57063359773937 0.09504177955527 0.91926513585703 15.999 > 51 85 O 0.17936640226063 0.09504177955527 0.58073486414297 15.999 > 53 86 O 0.67936640226063 0.09504177955527 0.58073486414297 15.999 > 53 87 O 0.17936640226063 0.40495822044473 0.91926513585703 15.999 > 55 88 O 0.67936640226063 0.40495822044473 0.91926513585703 15.999 > 55 89 O 0.19563359773937 0.84504177955527 0.83073486414297 15.999 > 57 90 O 0.69563359773937 0.84504177955527 0.83073486414297 15.999 > 57 91 O 0.44563359773937 0.15495822044473 0.66926513585703 15.999 > 59 92 O 0.94563359773937 0.15495822044473 0.66926513585703 15.999 > 59 93 O 0.30436640226063 0.15495822044473 0.83073486414297 15.999 > 61 94 O 0.80436640226063 0.15495822044473 0.83073486414297 15.999 > 61 95 O 0.05436640226063 0.84504177955527 0.66926513585703 15.999 > 63 96 O 0.55436640226063 0.84504177955527 0.66926513585703 15.999 > 63 97 O 0.07063359773937 0.90495822044473 0.08073486414297 15.999 > 49 98 O 0.57063359773937 0.90495822044473 0.08073486414297 15.999 > 49 99 O 0.07063359773937 0.59504177955527 0.41926513585703 15.999 > 51 100 O 0.57063359773937 0.59504177955527 0.41926513585703 15.999 > 51 101 O 0.17936640226063 0.59504177955527 0.08073486414297 15.999 > 53 102 O 0.67936640226063 0.59504177955527 0.08073486414297 15.999 > 53 103 O 0.17936640226063 0.90495822044473 0.41926513585703 15.999 > 55 104 O 0.67936640226063 0.90495822044473 0.41926513585703 15.999 > 55 105 O 0.19563359773937 0.34504177955527 0.33073486414297 15.999 > 57 106 O 0.69563359773937 0.34504177955527 0.33073486414297 15.999 > 57 107 O 0.44563359773937 0.65495822044473 0.16926513585703 15.999 > 59 108 O 0.94563359773937 0.65495822044473 0.16926513585703 15.999 > 59 109 O 0.30436640226063 0.65495822044473 0.33073486414297 15.999 > 61 110 O 0.80436640226063 0.65495822044473 0.33073486414297 15.999 > 61 111 O 0.05436640226063 0.34504177955527 0.16926513585703 15.999 > 63 112 O 0.55436640226063 0.34504177955527 0.16926513585703 15.999 > 63----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.3666614 0.0000000 0.0000000 0.0000000 4.2047246 0.0000000 0.0000000 0.0000000 5.2222711-------------------------- Born effective charges -------------------------- 1 Si 3.3034946 0.0000000 0.0000000 0.0000000 3.0454948 0.0000000 0.0000000 0.0000000 3.6293226 2 Si 3.3034946 0.0000000 0.0000000 0.0000000 3.0454948 0.0000000 0.0000000 0.0000000 3.6293226 3 Hg 2.1365861 0.0000000 0.2132016 0.0000000 1.8550111 0.0000000 0.1214039 0.0000000 2.7910880 4 Hg 2.1365861 0.0000000 -0.2132016 0.0000000 1.8550111 0.0000000 -0.1214039 0.0000000 2.7910880 5 Hg 2.1365861 0.0000000 0.2132016 0.0000000 1.8550111 0.0000000 0.1214039 0.0000000 2.7910880 6 Hg 2.1365861 0.0000000 -0.2132016 0.0000000 1.8550111 0.0000000 -0.1214039 0.0000000 2.7910880 7 O -1.8941667 0.4367824 -0.5622244 0.2824534 -1.6888793 -0.0889674 -0.6177802 0.3579772 -2.3028746 8 O -1.8941667 -0.4367824 0.5622244 -0.2824534 -1.6888793 -0.0889674 0.6177802 0.3579772 -2.3028746 9 O -1.8941667 0.4367824 0.5622244 0.2824534 -1.6888793 0.0889674 0.6177802 -0.3579772 -2.3028746 10 O -1.8941667 -0.4367824 -0.5622244 -0.2824534 -1.6888793 0.0889674 -0.6177802 -0.3579772 -2.3028746 11 O -1.8941667 -0.4367824 -0.5622244 -0.2824534 -1.6888793 0.0889674 -0.6177802 -0.3579772 -2.3028746 12 O -1.8941667 0.4367824 0.5622244 0.2824534 -1.6888793 0.0889674 0.6177802 -0.3579772 -2.3028746 13 O -1.8941667 -0.4367824 0.5622244 -0.2824534 -1.6888793 -0.0889674 0.6177802 0.3579772 -2.3028746 14 O -1.8941667 0.4367824 -0.5622244 0.2824534 -1.6888793 -0.0889674 -0.6177802 0.3579772 -2.3028746----------------------------------------------------------------------------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[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (xyz) -0.00000001 (xyz) -0.00000001 (xzy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 03:44:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 03:44:59]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 1]Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fddd (70)------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 5.391662980000000 5.666032659999999 b 3.229479520000000 0.000000000000000 5.666032659999999 c 3.229479520000000 5.391662980000000 0.000000000000000Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 2 Si 0.25000000000000 0.25000000000000 0.25000000000000 28.085 3 Hg 0.93365430846050 0.56634569153950 0.93365430846050 200.590 4 Hg 0.56634569153950 0.93365430846050 0.56634569153950 200.590 5 Hg 0.31634569153950 0.68365430846050 0.31634569153950 200.590 6 Hg 0.68365430846050 0.31634569153950 0.68365430846050 200.590 7 O 0.84442588910895 0.31704383917699 0.96549055178051 15.999 8 O 0.87303971993355 0.96549055178051 0.31704383917699 15.999 9 O 0.31704383917699 0.84442588910895 0.87303971993355 15.999 10 O 0.96549055178051 0.87303971993355 0.84442588910896 15.999 11 O 0.28450944821950 0.37696028006645 0.40557411089105 15.999 12 O 0.93295616082301 0.40557411089105 0.37696028006645 15.999 13 O 0.37696028006645 0.28450944821949 0.93295616082301 15.999 14 O 0.40557411089105 0.93295616082301 0.28450944821949 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 12.917918080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.783325960000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.332065319999998Atomic positions (fractional): 1 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 1 2 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 1 3 Si 0.37500000000000 0.75000000000000 0.25000000000000 28.085 > 3 4 Si 0.87500000000000 0.75000000000000 0.25000000000000 28.085 > 3 5 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 1 6 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 1 7 Si 0.37500000000000 0.25000000000000 0.75000000000000 28.085 > 3 8 Si 0.87500000000000 0.25000000000000 0.75000000000000 28.085 > 3 9 Si 0.25000000000000 0.00000000000000 0.50000000000000 28.085 > 1 10 Si 0.75000000000000 0.00000000000000 0.50000000000000 28.085 > 1 11 Si 0.12500000000000 0.75000000000000 0.75000000000000 28.085 > 3 12 Si 0.62500000000000 0.75000000000000 0.75000000000000 28.085 > 3 13 Si 0.25000000000000 0.50000000000000 0.00000000000000 28.085 > 1 14 Si 0.75000000000000 0.50000000000000 0.00000000000000 28.085 > 1 15 Si 0.12500000000000 0.25000000000000 0.25000000000000 28.085 > 3 16 Si 0.62500000000000 0.25000000000000 0.25000000000000 28.085 > 3 17 Hg 0.37500000000000 0.43365430846050 0.25000000000000 200.590 > 17 18 Hg 0.87500000000000 0.43365430846050 0.25000000000000 200.590 > 17 19 Hg 0.37500000000000 0.06634569153950 0.25000000000000 200.590 > 19 20 Hg 0.87500000000000 0.06634569153950 0.25000000000000 200.590 > 19 21 Hg 0.25000000000000 0.81634569153950 0.00000000000000 200.590 > 21 22 Hg 0.75000000000000 0.81634569153950 0.00000000000000 200.590 > 21 23 Hg 0.25000000000000 0.18365430846050 0.00000000000000 200.590 > 23 24 Hg 0.75000000000000 0.18365430846050 0.00000000000000 200.590 > 23 25 Hg 0.37500000000000 0.93365430846050 0.75000000000000 200.590 > 17 26 Hg 0.87500000000000 0.93365430846050 0.75000000000000 200.590 > 17 27 Hg 0.37500000000000 0.56634569153950 0.75000000000000 200.590 > 19 28 Hg 0.87500000000000 0.56634569153950 0.75000000000000 200.590 > 19 29 Hg 0.25000000000000 0.31634569153950 0.50000000000000 200.590 > 21 30 Hg 0.75000000000000 0.31634569153950 0.50000000000000 200.590 > 21 31 Hg 0.25000000000000 0.68365430846050 0.50000000000000 200.590 > 23 32 Hg 0.75000000000000 0.68365430846050 0.50000000000000 200.590 > 23 33 Hg 0.12500000000000 0.43365430846050 0.75000000000000 200.590 > 17 34 Hg 0.62500000000000 0.43365430846050 0.75000000000000 200.590 > 17 35 Hg 0.12500000000000 0.06634569153950 0.75000000000000 200.590 > 19 36 Hg 0.62500000000000 0.06634569153950 0.75000000000000 200.590 > 19 37 Hg 0.00000000000000 0.81634569153950 0.50000000000000 200.590 > 21 38 Hg 0.50000000000000 0.81634569153950 0.50000000000000 200.590 > 21 39 Hg 0.00000000000000 0.18365430846050 0.50000000000000 200.590 > 23 40 Hg 0.50000000000000 0.18365430846050 0.50000000000000 200.590 > 23 41 Hg 0.12500000000000 0.93365430846050 0.25000000000000 200.590 > 17 42 Hg 0.62500000000000 0.93365430846050 0.25000000000000 200.590 > 17 43 Hg 0.12500000000000 0.56634569153950 0.25000000000000 200.590 > 19 44 Hg 0.62500000000000 0.56634569153950 0.25000000000000 200.590 > 19 45 Hg 0.00000000000000 0.31634569153950 0.00000000000000 200.590 > 21 46 Hg 0.50000000000000 0.31634569153950 0.00000000000000 200.590 > 21 47 Hg 0.00000000000000 0.68365430846050 0.00000000000000 200.590 > 23 48 Hg 0.50000000000000 0.68365430846050 0.00000000000000 200.590 > 23 49 O 0.32063359773937 0.40495822044473 0.08073486414297 15.999 > 49 50 O 0.82063359773937 0.40495822044473 0.08073486414297 15.999 > 49 51 O 0.32063359773937 0.09504177955527 0.41926513585703 15.999 > 51 52 O 0.82063359773937 0.09504177955527 0.41926513585703 15.999 > 51 53 O 0.42936640226063 0.09504177955527 0.08073486414297 15.999 > 53 54 O 0.92936640226063 0.09504177955527 0.08073486414297 15.999 > 53 55 O 0.42936640226063 0.40495822044473 0.41926513585703 15.999 > 55 56 O 0.92936640226063 0.40495822044473 0.41926513585703 15.999 > 55 57 O 0.44563359773937 0.84504177955527 0.33073486414297 15.999 > 57 58 O 0.94563359773937 0.84504177955527 0.33073486414297 15.999 > 57 59 O 0.19563359773937 0.15495822044473 0.16926513585703 15.999 > 59 60 O 0.69563359773937 0.15495822044473 0.16926513585703 15.999 > 59 61 O 0.05436640226063 0.15495822044473 0.33073486414297 15.999 > 61 62 O 0.55436640226063 0.15495822044473 0.33073486414297 15.999 > 61 63 O 0.30436640226063 0.84504177955527 0.16926513585703 15.999 > 63 64 O 0.80436640226063 0.84504177955527 0.16926513585703 15.999 > 63 65 O 0.32063359773937 0.90495822044473 0.58073486414297 15.999 > 49 66 O 0.82063359773937 0.90495822044473 0.58073486414297 15.999 > 49 67 O 0.32063359773937 0.59504177955527 0.91926513585703 15.999 > 51 68 O 0.82063359773937 0.59504177955527 0.91926513585703 15.999 > 51 69 O 0.42936640226063 0.59504177955527 0.58073486414297 15.999 > 53 70 O 0.92936640226063 0.59504177955527 0.58073486414297 15.999 > 53 71 O 0.42936640226063 0.90495822044473 0.91926513585703 15.999 > 55 72 O 0.92936640226063 0.90495822044473 0.91926513585703 15.999 > 55 73 O 0.44563359773937 0.34504177955527 0.83073486414297 15.999 > 57 74 O 0.94563359773937 0.34504177955527 0.83073486414297 15.999 > 57 75 O 0.19563359773937 0.65495822044473 0.66926513585703 15.999 > 59 76 O 0.69563359773937 0.65495822044473 0.66926513585703 15.999 > 59 77 O 0.05436640226063 0.65495822044473 0.83073486414297 15.999 > 61 78 O 0.55436640226063 0.65495822044473 0.83073486414297 15.999 > 61 79 O 0.30436640226063 0.34504177955527 0.66926513585703 15.999 > 63 80 O 0.80436640226063 0.34504177955527 0.66926513585703 15.999 > 63 81 O 0.07063359773937 0.40495822044473 0.58073486414297 15.999 > 49 82 O 0.57063359773937 0.40495822044473 0.58073486414297 15.999 > 49 83 O 0.07063359773937 0.09504177955527 0.91926513585703 15.999 > 51 84 O 0.57063359773937 0.09504177955527 0.91926513585703 15.999 > 51 85 O 0.17936640226063 0.09504177955527 0.58073486414297 15.999 > 53 86 O 0.67936640226063 0.09504177955527 0.58073486414297 15.999 > 53 87 O 0.17936640226063 0.40495822044473 0.91926513585703 15.999 > 55 88 O 0.67936640226063 0.40495822044473 0.91926513585703 15.999 > 55 89 O 0.19563359773937 0.84504177955527 0.83073486414297 15.999 > 57 90 O 0.69563359773937 0.84504177955527 0.83073486414297 15.999 > 57 91 O 0.44563359773937 0.15495822044473 0.66926513585703 15.999 > 59 92 O 0.94563359773937 0.15495822044473 0.66926513585703 15.999 > 59 93 O 0.30436640226063 0.15495822044473 0.83073486414297 15.999 > 61 94 O 0.80436640226063 0.15495822044473 0.83073486414297 15.999 > 61 95 O 0.05436640226063 0.84504177955527 0.66926513585703 15.999 > 63 96 O 0.55436640226063 0.84504177955527 0.66926513585703 15.999 > 63 97 O 0.07063359773937 0.90495822044473 0.08073486414297 15.999 > 49 98 O 0.57063359773937 0.90495822044473 0.08073486414297 15.999 > 49 99 O 0.07063359773937 0.59504177955527 0.41926513585703 15.999 > 51 100 O 0.57063359773937 0.59504177955527 0.41926513585703 15.999 > 51 101 O 0.17936640226063 0.59504177955527 0.08073486414297 15.999 > 53 102 O 0.67936640226063 0.59504177955527 0.08073486414297 15.999 > 53 103 O 0.17936640226063 0.90495822044473 0.41926513585703 15.999 > 55 104 O 0.67936640226063 0.90495822044473 0.41926513585703 15.999 > 55 105 O 0.19563359773937 0.34504177955527 0.33073486414297 15.999 > 57 106 O 0.69563359773937 0.34504177955527 0.33073486414297 15.999 > 57 107 O 0.44563359773937 0.65495822044473 0.16926513585703 15.999 > 59 108 O 0.94563359773937 0.65495822044473 0.16926513585703 15.999 > 59 109 O 0.30436640226063 0.65495822044473 0.33073486414297 15.999 > 61 110 O 0.80436640226063 0.65495822044473 0.33073486414297 15.999 > 61 111 O 0.05436640226063 0.34504177955527 0.16926513585703 15.999 > 63 112 O 0.55436640226063 0.34504177955527 0.16926513585703 15.999 > 63----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.3666614 0.0000000 0.0000000 0.0000000 4.2047246 0.0000000 0.0000000 0.0000000 5.2222711-------------------------- Born effective charges -------------------------- 1 Si 3.3034946 0.0000000 0.0000000 0.0000000 3.0454948 0.0000000 0.0000000 0.0000000 3.6293226 2 Si 3.3034946 0.0000000 0.0000000 0.0000000 3.0454948 0.0000000 0.0000000 0.0000000 3.6293226 3 Hg 2.1365861 0.0000000 0.2132016 0.0000000 1.8550111 0.0000000 0.1214039 0.0000000 2.7910880 4 Hg 2.1365861 0.0000000 -0.2132016 0.0000000 1.8550111 0.0000000 -0.1214039 0.0000000 2.7910880 5 Hg 2.1365861 0.0000000 0.2132016 0.0000000 1.8550111 0.0000000 0.1214039 0.0000000 2.7910880 6 Hg 2.1365861 0.0000000 -0.2132016 0.0000000 1.8550111 0.0000000 -0.1214039 0.0000000 2.7910880 7 O -1.8941667 0.4367824 -0.5622244 0.2824534 -1.6888793 -0.0889674 -0.6177802 0.3579772 -2.3028746 8 O -1.8941667 -0.4367824 0.5622244 -0.2824534 -1.6888793 -0.0889674 0.6177802 0.3579772 -2.3028746 9 O -1.8941667 0.4367824 0.5622244 0.2824534 -1.6888793 0.0889674 0.6177802 -0.3579772 -2.3028746 10 O -1.8941667 -0.4367824 -0.5622244 -0.2824534 -1.6888793 0.0889674 -0.6177802 -0.3579772 -2.3028746 11 O -1.8941667 -0.4367824 -0.5622244 -0.2824534 -1.6888793 0.0889674 -0.6177802 -0.3579772 -2.3028746 12 O -1.8941667 0.4367824 0.5622244 0.2824534 -1.6888793 0.0889674 0.6177802 -0.3579772 -2.3028746 13 O -1.8941667 -0.4367824 0.5622244 -0.2824534 -1.6888793 -0.0889674 0.6177802 0.3579772 -2.3028746 14 O -1.8941667 0.4367824 -0.5622244 0.2824534 -1.6888793 -0.0889674 -0.6177802 0.3579772 -2.3028746----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (xyz) -0.00000001 (xyz) -0.00000001 (xzy)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 10 10 10 ]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: 0.71, Number of G-points: 303, Lambda: 0.16Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/171) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.460 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 -0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 -0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 7.520 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 11.438 ( 0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 13.685 ( 0.000 0.000 0.000) 0.000 13.959 ( 0.000 0.000 0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 14.228 ( 0.000 0.000 0.000) 0.000 14.558 ( 0.000 0.000 0.000) 0.000 15.362 ( 0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 0.000) 0.000 24.923 ( 0.000 0.000 0.000) 0.000 25.136 ( 0.000 0.000 0.000) 0.000 25.271 ( 0.000 0.000 -0.000) 0.000 25.382 ( 0.000 0.000 0.000) 0.000 25.464 ( 0.000 0.000 0.000) 0.000 26.049 ( 0.000 0.000 0.000) 0.000 26.595 ( 0.000 0.000 0.000) 0.000 27.726 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/171) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.293 ( -8.939 12.745 4.608) 16.235 0.308 ( -15.523 4.339 2.507) 16.311 0.814 ( -22.276 3.690 37.103) 43.434 1.570 ( 1.106 -1.498 6.774) 7.025 1.682 ( -6.324 -1.914 7.890) 10.291 1.696 ( -8.729 -2.347 1.941) 9.245 1.817 ( 0.238 -1.033 -1.515) 1.849 1.910 ( 1.320 -1.503 -1.044) 2.256 1.951 ( 1.583 1.394 1.269) 2.461 2.075 ( -4.657 -1.702 8.669) 9.987 2.587 ( -6.168 0.022 -2.137) 6.528 2.758 ( 1.463 -0.191 1.591) 2.170 3.933 ( 10.913 21.869 -2.369) 24.555 4.081 ( -0.254 -1.535 0.319) 1.588 4.436 ( 0.722 1.436 2.871) 3.290 4.812 ( -5.187 -0.978 -10.776) 11.999 5.538 ( -2.694 -7.740 -18.278) 20.031 5.689 ( -7.243 -5.229 -18.056) 20.145 5.773 ( -12.488 -7.352 -15.065) 20.904 6.311 ( 3.958 4.002 1.129) 5.741 7.571 ( -2.207 3.635 2.998) 5.203 8.570 ( -1.411 -0.172 -0.251) 1.444 9.646 ( -14.105 -9.227 -19.095) 25.470 10.487 ( 1.497 -0.499 -4.530) 4.797 11.425 ( -4.421 2.838 -13.494) 14.480 11.993 ( 2.147 0.660 11.462) 11.679 12.327 ( 4.261 -0.432 -8.385) 9.415 13.746 ( 15.372 -7.944 11.938) 21.021 13.911 ( 3.036 0.093 -1.911) 3.589 14.025 ( 5.747 1.856 4.460) 7.508 14.318 ( -6.220 -12.718 1.055) 14.197 14.479 ( 0.122 0.547 -13.514) 13.526 15.783 ( 11.940 40.627 5.952) 42.762 16.150 ( -5.013 1.449 11.600) 12.719 24.923 ( 1.195 0.062 2.499) 2.770 25.129 ( 0.529 -0.451 0.125) 0.706 25.291 ( -0.447 0.446 2.408) 2.489 25.433 ( -1.406 0.213 2.587) 2.953 25.990 ( 6.518 -2.514 2.595) 7.452 26.431 ( -20.359 -37.931 14.264) 45.351 27.650 ( 5.985 2.533 -3.579) 7.419 27.782 ( 4.922 -0.883 13.494) 14.391======================= Grid point 2 (3/171) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -8.310 9.307 7.285) 14.448 0.603 ( -13.877 5.718 2.696) 15.249 1.317 ( -10.052 1.118 15.621) 18.609 1.575 ( 2.699 -1.325 4.930) 5.774 1.713 ( 0.837 -1.994 -6.477) 6.828 1.775 ( 3.268 -0.612 1.273) 3.560 1.821 ( -0.754 -0.434 0.718) 1.128 1.980 ( -1.677 1.672 4.914) 5.455 1.985 ( -5.472 0.568 11.996) 13.197 2.394 ( -17.880 -1.550 26.962) 32.389 2.642 ( -3.188 -0.535 -4.643) 5.657 2.812 ( -5.686 0.810 7.551) 9.487 3.944 ( 9.058 17.100 -1.409) 19.402 4.078 ( -1.958 -2.720 -0.204) 3.357 4.433 ( 3.097 0.686 -1.238) 3.405 4.828 ( -6.476 0.027 -3.221) 7.233 5.330 ( 3.795 -4.739 -12.504) 13.900 5.576 ( -3.389 -4.870 -13.629) 14.865 5.720 ( -0.926 -4.518 -7.019) 8.399 6.284 ( 4.457 -4.336 7.744) 9.932 7.688 ( -2.489 5.367 4.577) 7.479 8.592 ( -2.210 -0.845 -0.426) 2.404 9.575 ( 0.075 -1.176 -11.254) 11.315 10.382 ( 3.363 -0.869 -9.418) 10.038 11.396 ( -6.261 3.738 -18.279) 19.680 12.102 ( 1.806 2.284 16.523) 16.778 12.137 ( 6.479 -0.726 -12.424) 14.030 13.493 ( 11.590 -4.528 -6.376) 13.981 13.839 ( 4.333 3.023 -4.669) 7.051 13.934 ( 6.551 -1.147 -2.051) 6.960 14.330 ( -4.400 -7.631 3.918) 9.641 14.394 ( -2.353 -0.260 -9.057) 9.361 16.051 ( 0.553 17.125 13.071) 21.550 16.375 ( -5.912 2.039 13.814) 15.164 24.940 ( 1.070 0.324 5.096) 5.218 25.119 ( 0.192 -0.671 0.370) 0.790 25.316 ( 1.026 0.364 2.352) 2.591 25.493 ( -4.899 0.378 -1.312) 5.086 25.882 ( 7.792 -2.318 4.591) 9.336 26.536 ( -14.250 -20.654 9.905) 26.977 27.529 ( 6.615 2.750 -7.102) 10.087 27.807 ( 2.508 0.525 5.778) 6.321======================= Grid point 3 (4/171) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( -7.866 4.435 7.099) 11.486 0.889 ( -9.869 6.865 6.110) 13.485 1.491 ( -1.967 -0.927 2.421) 3.255 1.547 ( -1.504 -0.719 -6.608) 6.815 1.617 ( 4.906 -0.385 2.094) 5.348 1.709 ( 3.086 0.420 -2.048) 3.728 1.809 ( 0.706 -1.713 0.541) 1.930 2.084 ( -2.758 1.464 7.955) 8.546 2.160 ( -3.366 0.735 7.155) 7.941 2.578 ( 0.530 -2.190 -3.958) 4.554 2.975 ( -18.619 1.077 26.853) 32.694 3.062 ( -11.425 2.712 13.760) 18.089 3.941 ( 8.911 13.384 0.193) 16.080 4.083 ( -2.536 -2.366 -2.052) 4.030 4.330 ( 4.737 -0.694 -7.304) 8.734 4.927 ( -5.305 0.638 -0.038) 5.344 5.136 ( 4.629 -3.456 -6.610) 8.779 5.483 ( -4.145 -6.246 -9.166) 11.841 5.638 ( 1.434 -1.809 0.427) 2.348 6.232 ( 4.328 -5.316 6.503) 9.449 7.810 ( -1.473 5.214 4.300) 6.917 8.608 ( -1.919 -1.813 -0.923) 2.797 9.423 ( 6.216 1.545 -11.600) 13.251 10.210 ( 4.649 -0.804 -12.363) 13.233 11.376 ( -5.587 3.098 -13.721) 15.135 11.917 ( 5.971 -1.212 -11.495) 13.010 12.276 ( -0.594 4.260 17.061) 17.595 13.220 ( 8.534 -3.970 -10.390) 14.019 13.750 ( 3.766 7.008 -11.525) 14.004 13.812 ( 4.154 -6.528 2.752) 8.212 14.366 ( -2.698 -4.590 3.938) 6.622 14.375 ( -2.365 -0.664 -3.451) 4.236 16.282 ( -1.061 8.794 10.356) 13.628 16.582 ( -4.310 1.781 10.233) 11.245 24.986 ( 0.288 0.483 6.821) 6.844 25.118 ( -0.356 -0.672 0.569) 0.950 25.295 ( 3.025 -0.006 -0.427) 3.055 25.559 ( -5.720 0.288 -3.515) 6.720 25.804 ( 6.045 -1.437 6.485) 8.981 26.663 ( -12.112 -14.715 9.914) 21.483 27.372 ( 8.379 3.240 -8.322) 12.245 27.819 ( 1.267 1.286 1.900) 2.622======================= Grid point 4 (5/171) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( -5.275 2.303 7.969) 9.831 1.126 ( -5.731 3.994 7.852) 10.510 1.407 ( 0.392 -1.708 -12.674) 12.795 1.497 ( 2.193 -0.129 -4.168) 4.712 1.613 ( 2.542 -0.202 5.401) 5.973 1.682 ( -0.201 2.297 -1.793) 2.921 1.789 ( 0.434 -2.024 0.881) 2.250 2.202 ( -2.726 -0.304 3.562) 4.496 2.255 ( -1.323 2.103 7.839) 8.223 2.501 ( 0.735 -2.223 -6.269) 6.692 3.381 ( -10.889 3.837 14.360) 18.426 3.454 ( -12.239 1.581 17.888) 21.732 3.922 ( 6.707 6.504 1.774) 9.509 4.046 ( 1.855 -1.065 -7.460) 7.760 4.166 ( 4.234 -1.856 -7.653) 8.940 4.954 ( -0.901 -0.892 -3.221) 3.462 5.026 ( 2.071 -1.365 -1.361) 2.829 5.408 ( -0.497 -4.924 -3.602) 6.121 5.699 ( -4.742 0.941 5.271) 7.152 6.173 ( 3.487 -3.734 3.620) 6.261 7.898 ( -0.477 3.530 2.721) 4.483 8.598 ( -0.673 -1.983 -1.653) 2.668 9.244 ( 5.667 1.652 -8.656) 10.477 10.037 ( 3.497 -0.353 -9.185) 9.835 11.385 ( -3.526 2.004 -5.892) 7.153 11.746 ( 3.689 -1.299 -6.826) 7.867 12.491 ( -2.836 5.113 14.999) 16.099 12.974 ( 5.976 -4.239 -11.432) 13.579 13.668 ( 1.343 5.143 -9.897) 11.235 13.736 ( 2.807 -5.351 4.525) 7.549 14.381 ( -2.680 1.188 -4.789) 5.614 14.393 ( 0.059 -3.867 5.975) 7.117 16.423 ( -0.619 3.885 5.343) 6.635 16.713 ( -2.108 0.997 5.090) 5.598 25.054 ( -0.671 0.337 6.698) 6.740 25.125 ( -0.316 -0.437 0.786) 0.953 25.225 ( 3.097 -0.135 -3.576) 4.732 25.606 ( -3.850 0.046 -3.189) 5.000 25.778 ( 3.216 -0.524 5.165) 6.107 26.815 ( -11.158 -10.545 10.250) 18.460 27.189 ( 9.807 4.615 -9.240) 14.243 27.826 ( 0.474 1.003 0.295) 1.147======================= Grid point 5 (6/171) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -0.000 0.000 0.000) 0.000 1.255 ( -0.000 0.000 0.000) 0.000 1.295 ( -0.000 0.000 -0.000) 0.000 1.445 ( 0.000 0.000 -0.000) 0.000 1.613 ( -0.000 0.000 -0.000) 0.000 1.693 ( -0.000 0.000 -0.000) 0.000 1.778 ( -0.000 0.000 0.000) 0.000 2.227 ( -0.000 0.000 -0.000) 0.000 2.356 ( -0.000 0.000 0.000) 0.000 2.423 ( -0.000 0.000 0.000) 0.000 3.582 ( -0.000 0.000 0.000) 0.000 3.726 ( 0.000 -0.000 -0.000) 0.000 3.821 ( -0.000 0.000 0.000) 0.000 3.950 ( -0.000 0.000 0.000) 0.000 4.097 ( -0.000 0.000 0.000) 0.000 4.934 ( -0.000 0.000 0.000) 0.000 5.003 ( -0.000 0.000 0.000) 0.000 5.369 ( -0.000 0.000 0.000) 0.000 5.786 ( -0.000 0.000 -0.000) 0.000 6.137 ( -0.000 0.000 0.000) 0.000 7.932 ( -0.000 0.000 -0.000) 0.000 8.581 ( -0.000 0.000 0.000) 0.000 9.165 ( -0.000 0.000 0.000) 0.000 9.964 ( -0.000 0.000 0.000) 0.000 11.401 ( -0.000 0.000 0.000) 0.000 11.676 ( -0.000 0.000 0.000) 0.000 12.675 ( -0.000 0.000 0.000) 0.000 12.788 ( 0.000 -0.000 -0.000) 0.000 13.637 ( -0.000 0.000 -0.000) 0.000 13.708 ( -0.000 -0.000 0.000) 0.000 14.388 ( -0.000 0.000 -0.000) 0.000 14.400 ( 0.000 -0.000 0.000) 0.000 16.469 ( -0.000 0.000 0.000) 0.000 16.756 ( -0.000 0.000 0.000) 0.000 25.109 ( -0.000 0.000 0.000) 0.000 25.140 ( -0.000 0.000 0.000) 0.000 25.155 ( -0.000 0.000 -0.000) 0.000 25.622 ( 0.000 0.000 0.000) 0.000 25.775 ( -0.000 0.000 -0.000) 0.000 26.973 ( -0.000 -0.000 0.000) 0.000 27.017 ( 0.000 0.000 -0.000) 0.000 27.828 ( -0.000 0.000 0.000) 0.000======================= Grid point 12 (7/171) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.219 ( 0.000 0.000 13.268) 13.268 0.420 ( 0.000 0.000 20.399) 20.399 1.059 ( 0.000 0.000 56.623) 56.623 1.573 ( 0.000 0.000 12.838) 12.838 1.702 ( 0.000 0.000 8.852) 8.852 1.805 ( -0.000 -0.000 -2.515) 2.515 1.817 ( 0.000 0.000 27.441) 27.441 1.912 ( -0.000 -0.000 -2.132) 2.132 1.970 ( 0.000 0.000 2.713) 2.713 2.098 ( 0.000 0.000 7.732) 7.732 2.508 ( -0.000 -0.000 -3.847) 3.847 2.788 ( 0.000 0.000 2.644) 2.644 3.819 ( -0.000 -0.000 -1.216) 1.216 4.100 ( 0.000 0.000 1.661) 1.661 4.350 ( -0.000 -0.000 -3.232) 3.232 4.520 ( 0.000 0.000 9.260) 9.260 5.061 ( -0.000 -0.000 -7.681) 7.681 5.482 ( -0.000 -0.000 -17.088) 17.088 5.684 ( -0.000 -0.000 -8.068) 8.068 6.396 ( 0.000 0.000 13.654) 13.654 7.600 ( 0.000 0.000 8.592) 8.592 8.556 ( -0.000 -0.000 -0.590) 0.590 9.394 ( 0.000 0.000 1.628) 1.628 10.435 ( -0.000 -0.000 -9.638) 9.638 11.256 ( -0.000 -0.000 -16.675) 16.675 12.120 ( 0.000 0.000 14.472) 14.472 12.250 ( -0.000 -0.000 -16.645) 16.645 13.862 ( -0.000 -0.000 -6.285) 6.285 14.004 ( -0.000 -0.000 -21.887) 21.887 14.128 ( 0.000 0.000 7.613) 7.613 14.235 ( -0.000 -0.000 -26.832) 26.832 14.545 ( -0.000 -0.000 -0.943) 0.943 15.690 ( 0.000 0.000 27.538) 27.538 16.236 ( 0.000 0.000 18.703) 18.703 24.963 ( 0.000 0.000 4.380) 4.380 25.157 ( 0.000 0.000 2.357) 2.357 25.321 ( 0.000 0.000 5.549) 5.549 25.497 ( 0.000 0.000 3.562) 3.562 26.090 ( 0.000 0.000 4.632) 4.632 26.582 ( -0.000 -0.000 -1.424) 1.424 27.666 ( -0.000 -0.000 -6.665) 6.665 28.032 ( -0.000 -0.000 -5.604) 5.604======================= Grid point 13 (8/171) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( -6.954 7.626 11.802) 15.678 0.612 ( -2.281 2.159 18.671) 18.934 1.445 ( 4.758 0.993 30.313) 30.700 1.700 ( 2.447 -2.548 3.423) 4.919 1.750 ( 3.844 1.235 5.368) 6.717 1.828 ( -3.163 -0.354 6.361) 7.113 1.876 ( 1.476 -0.710 2.509) 2.996 1.993 ( 0.192 0.484 5.166) 5.192 2.064 ( 1.828 0.630 21.677) 21.763 2.361 ( -17.666 -1.084 25.999) 31.452 2.531 ( -5.628 0.289 -3.082) 6.423 2.830 ( -1.423 -0.039 8.052) 8.176 3.875 ( 3.884 14.566 -3.236) 15.418 4.098 ( -0.190 -2.992 1.762) 3.477 4.420 ( -1.602 2.695 -8.094) 8.680 4.687 ( -7.952 1.941 3.704) 8.985 5.127 ( -18.926 -9.022 -18.719) 28.107 5.349 ( -1.189 5.519 -18.469) 19.313 5.618 ( -2.099 -0.174 -7.959) 8.233 6.475 ( 4.156 -1.983 12.148) 12.991 7.700 ( 0.236 3.153 10.773) 11.227 8.561 ( -1.602 -0.340 -0.888) 1.863 9.456 ( -3.383 1.190 -4.590) 5.825 10.317 ( 1.899 0.475 -14.410) 14.542 11.131 ( -3.091 2.380 -17.985) 18.403 12.055 ( 2.031 -0.554 -21.511) 21.614 12.253 ( 0.850 1.114 16.239) 16.299 13.651 ( 11.384 -5.739 -15.845) 20.337 13.797 ( 5.103 4.733 -11.333) 13.300 13.974 ( 1.670 -1.820 -14.647) 14.853 14.230 ( -4.917 -1.519 -0.204) 5.150 14.458 ( -1.695 -12.506 5.055) 13.595 16.048 ( 0.653 17.980 20.859) 27.547 16.440 ( -2.501 1.323 18.778) 18.990 25.003 ( 0.661 0.022 6.200) 6.235 25.157 ( 2.319 -0.455 2.797) 3.662 25.371 ( 1.570 0.521 6.543) 6.749 25.502 ( 2.529 0.010 5.116) 5.707 26.068 ( 7.187 -1.538 6.409) 9.752 26.578 ( -9.341 -12.847 3.392) 16.242 27.542 ( 5.870 0.914 -8.722) 10.553 27.904 ( 1.880 -6.113 -1.244) 6.515======================= Grid point 14 (9/171) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( -7.963 7.870 10.573) 15.399 0.857 ( -4.953 3.064 18.144) 19.056 1.536 ( 7.303 1.884 10.543) 12.963 1.601 ( 5.125 -3.890 -0.715) 6.474 1.708 ( 3.850 1.170 -1.016) 4.150 1.860 ( 2.292 -2.322 5.861) 6.708 1.891 ( 6.877 -1.012 14.500) 16.080 2.105 ( -2.393 2.015 10.385) 10.846 2.157 ( -0.340 0.443 4.069) 4.107 2.554 ( -0.535 -0.519 -3.828) 3.900 2.941 ( -18.648 0.232 32.149) 37.167 3.025 ( -7.561 2.089 17.088) 18.803 3.915 ( 3.649 11.433 -1.640) 12.113 4.087 ( -0.158 -3.067 1.494) 3.415 4.338 ( 4.177 1.200 -7.621) 8.773 4.829 ( -5.765 1.354 -0.422) 5.937 5.071 ( -6.245 -7.062 -15.796) 18.395 5.292 ( -7.470 0.420 -17.207) 18.763 5.622 ( -3.514 0.052 -1.368) 3.772 6.449 ( 7.661 -3.552 9.668) 12.837 7.825 ( 0.540 3.988 10.348) 11.103 8.576 ( -2.362 -1.174 -1.537) 3.053 9.399 ( 4.803 2.217 -8.459) 9.977 10.140 ( 3.225 0.999 -16.853) 17.188 11.099 ( -8.372 3.182 -14.879) 17.367 11.831 ( 0.875 -0.746 -21.278) 21.309 12.403 ( 0.671 2.296 16.973) 17.140 13.306 ( 9.667 -4.737 -13.203) 17.035 13.638 ( 4.533 4.464 -14.961) 16.257 13.869 ( -1.273 -2.064 -7.045) 7.451 14.270 ( -3.246 -2.553 -0.630) 4.178 14.454 ( -4.038 -9.160 5.148) 11.257 16.328 ( 2.360 11.473 16.873) 20.540 16.635 ( -0.931 2.426 14.410) 14.643 25.056 ( 0.468 0.228 7.509) 7.527 25.138 ( 2.137 -0.239 1.811) 2.811 25.372 ( 5.226 0.257 3.884) 6.516 25.521 ( 0.666 0.419 3.909) 3.988 25.996 ( 7.533 -1.942 8.356) 11.416 26.677 ( -11.773 -11.888 6.300) 17.878 27.379 ( 6.423 2.362 -10.057) 12.165 27.835 ( -0.438 -3.266 -2.992) 4.451======================= Grid point 15 (10/171) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( -6.766 4.744 9.321) 12.457 1.130 ( -4.023 4.236 18.837) 19.722 1.414 ( 7.533 -1.859 -4.287) 8.865 1.532 ( 5.036 -0.241 1.616) 5.294 1.670 ( 3.077 2.198 1.613) 4.111 1.838 ( 2.408 -1.832 3.120) 4.346 1.903 ( 10.948 -2.308 21.771) 24.478 2.170 ( -2.775 -0.279 -2.562) 3.787 2.274 ( -2.333 2.686 10.373) 10.966 2.490 ( 2.474 -0.612 -4.679) 5.328 3.326 ( -8.574 4.162 17.191) 19.656 3.438 ( -11.028 0.878 21.403) 24.093 3.941 ( 2.348 6.342 -0.984) 6.834 4.058 ( 2.518 -2.403 0.015) 3.481 4.198 ( 5.522 -0.797 -5.828) 8.067 4.865 ( -4.069 0.700 -9.171) 10.057 4.969 ( -3.945 -4.103 -11.848) 13.144 5.277 ( -8.637 -2.424 -14.065) 16.682 5.707 ( -2.313 1.504 8.460) 8.899 6.358 ( 9.190 -2.909 6.611) 11.688 7.927 ( 1.340 2.664 8.533) 9.039 8.577 ( -1.849 -1.899 -2.618) 3.725 9.249 ( 6.500 2.511 -6.953) 9.844 9.974 ( 1.916 2.039 -12.869) 13.170 11.173 ( -10.878 2.541 -9.585) 14.720 11.657 ( -1.904 -0.620 -17.667) 17.780 12.574 ( -0.374 2.999 16.430) 16.705 13.028 ( 7.445 -4.797 -10.440) 13.691 13.507 ( 1.338 5.578 -14.145) 15.264 13.823 ( -1.303 -2.762 -3.317) 4.509 14.277 ( -2.840 -2.798 -2.379) 4.643 14.481 ( -3.239 -7.062 4.375) 8.917 16.488 ( 3.994 6.201 12.148) 14.212 16.759 ( 1.549 2.762 9.243) 9.770 25.118 ( 1.304 0.082 4.713) 4.891 25.125 ( 0.060 0.601 2.998) 3.058 25.288 ( 7.223 -0.218 -0.128) 7.227 25.550 ( -0.145 0.926 1.720) 1.959 25.954 ( 6.728 -1.534 10.436) 12.511 26.818 ( -11.564 -10.505 7.731) 17.432 27.203 ( 7.945 3.298 -10.683) 13.715 27.801 ( -1.928 -1.405 -4.002) 4.659======================= Grid point 16 (11/171) =======================q-point: ( 0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( -2.370 1.499 6.796) 7.352 1.233 ( 7.608 -0.163 -2.257) 7.937 1.378 ( -3.053 1.318 12.638) 13.068 1.469 ( 3.969 0.846 3.333) 5.251 1.675 ( 0.999 2.639 1.426) 3.162 1.811 ( 2.980 -1.521 3.600) 4.914 1.888 ( 12.586 -2.594 21.533) 25.076 2.187 ( -3.211 -0.198 -3.874) 5.036 2.348 ( 1.972 -1.042 -4.565) 5.080 2.452 ( 1.253 3.252 7.814) 8.556 3.599 ( -1.043 1.086 6.420) 6.594 3.676 ( -6.605 2.885 8.543) 11.177 3.872 ( 7.363 -2.379 -11.539) 13.893 3.980 ( 1.683 -0.997 5.490) 5.829 4.125 ( 0.945 -0.673 3.454) 3.643 4.859 ( -4.998 1.922 -8.587) 10.120 4.917 ( -4.660 -1.897 -9.157) 10.449 5.256 ( -6.961 -1.290 -12.873) 14.691 5.821 ( 1.341 2.377 7.526) 8.006 6.235 ( 9.221 -0.677 2.321) 9.533 7.976 ( 1.880 -0.629 5.646) 5.984 8.566 ( -1.353 -0.532 -1.566) 2.137 9.173 ( 1.254 1.191 1.105) 2.053 9.922 ( -1.769 3.019 -3.270) 4.789 11.289 ( -10.030 0.701 -5.591) 11.505 11.580 ( -5.352 0.450 -11.487) 12.681 12.720 ( 2.303 -1.784 3.412) 4.487 12.825 ( 2.639 -0.801 2.233) 3.548 13.460 ( -2.071 7.598 -11.451) 13.897 13.797 ( -1.536 -3.978 -0.465) 4.289 14.271 ( -3.038 -1.813 -4.299) 5.568 14.493 ( -1.486 -5.725 3.285) 6.766 16.538 ( 5.348 2.187 7.144) 9.188 16.801 ( 3.985 2.310 4.605) 6.514 25.110 ( 0.627 1.165 -1.252) 1.822 25.163 ( 6.349 -0.395 -2.671) 6.900 25.185 ( -0.158 0.170 5.942) 5.946 25.571 ( -0.667 1.371 -0.630) 1.650 25.931 ( 7.544 -1.120 11.386) 13.705 26.953 ( -3.803 -3.025 -0.749) 4.916 27.028 ( 2.256 -0.650 -2.715) 3.589 27.795 ( -2.911 -1.065 -3.653) 4.791======================= Grid point 17 (12/171) =======================q-point: (-0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 7.029 0.780 -2.299) 7.437 1.182 ( 4.446 -3.011 -2.196) 5.801 1.483 ( -3.816 0.035 3.739) 5.342 1.551 ( 3.273 1.610 15.874) 16.288 1.711 ( -0.775 2.031 1.739) 2.783 1.776 ( 5.978 -0.889 6.591) 8.943 1.855 ( 11.299 -2.054 18.749) 21.987 2.189 ( -1.090 0.151 -3.968) 4.118 2.217 ( 3.351 -1.728 -9.289) 10.025 2.540 ( 1.645 3.100 7.379) 8.171 3.457 ( 10.738 -1.646 -12.177) 16.319 3.536 ( 14.107 -2.326 -15.000) 20.723 3.858 ( -7.583 -5.417 0.699) 9.345 4.081 ( -3.915 -1.002 10.679) 11.419 4.181 ( -0.963 1.460 8.448) 8.627 4.896 ( -8.023 0.264 -9.650) 12.552 4.933 ( -3.482 2.387 -0.757) 4.289 5.268 ( -7.736 2.790 -10.638) 13.446 5.792 ( 9.053 1.303 0.602) 9.166 6.140 ( 4.969 3.398 0.173) 6.022 7.955 ( 2.196 -4.222 2.343) 5.304 8.588 ( -0.702 2.096 0.367) 2.240 9.253 ( -4.795 -0.746 9.186) 10.388 10.019 ( -4.979 3.426 5.220) 7.986 11.386 ( -7.892 -1.520 -1.939) 8.267 11.642 ( -9.312 2.004 -3.101) 10.017 12.515 ( 7.217 -6.487 -9.351) 13.476 12.972 ( -3.783 2.479 12.059) 12.879 13.508 ( -4.729 9.045 -7.698) 12.784 13.793 ( -2.623 -4.977 1.992) 5.968 14.265 ( -2.937 -0.254 -5.419) 6.169 14.482 ( -0.135 -4.469 2.375) 5.063 16.493 ( 6.359 -1.315 2.291) 6.886 16.759 ( 6.397 1.308 0.246) 6.534 25.043 ( 4.002 -0.311 -4.625) 6.123 25.105 ( 0.559 1.841 -1.547) 2.469 25.235 ( -0.660 -0.141 4.175) 4.230 25.588 ( -1.469 1.810 -2.256) 3.244 25.891 ( 9.307 -1.053 11.076) 14.505 26.792 ( 10.267 8.488 -12.586) 18.327 27.157 ( -10.569 -6.696 7.814) 14.751 27.799 ( -3.071 -2.098 -3.001) 4.779======================= Grid point 18 (13/171) =======================q-point: (-0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 8.156 -1.043 -0.061) 8.222 1.023 ( 6.202 -4.338 -3.641) 8.399 1.543 ( 3.025 0.779 4.104) 5.157 1.602 ( 1.211 -2.366 3.569) 4.450 1.744 ( 2.608 2.682 4.293) 5.694 1.752 ( 5.266 -0.084 9.679) 11.019 1.852 ( 7.649 -0.132 17.294) 18.911 2.073 ( 2.716 -2.092 -6.564) 7.405 2.139 ( 1.947 -0.418 -7.556) 7.814 2.580 ( 1.413 2.268 1.229) 2.941 3.057 ( 18.590 -1.528 -22.688) 29.371 3.173 ( 13.585 -1.536 -10.422) 17.191 3.905 ( -10.326 -12.732 -0.379) 16.398 4.141 ( 2.425 0.095 4.121) 4.783 4.322 ( -3.188 1.246 7.221) 7.991 4.983 ( -1.515 1.076 0.498) 1.924 4.999 ( -9.363 1.326 -1.892) 9.644 5.373 ( -9.289 7.532 -6.216) 13.478 5.659 ( 6.899 1.767 -0.008) 7.122 6.132 ( 2.362 6.298 -0.942) 6.792 7.880 ( 2.843 -5.692 0.209) 6.365 8.614 ( 0.852 2.730 0.249) 2.871 9.433 ( -6.950 -1.341 10.632) 12.773 10.199 ( -5.668 3.547 7.533) 10.072 11.496 ( -6.475 -2.080 6.106) 9.140 11.826 ( -11.577 1.813 2.603) 12.004 12.249 ( 7.258 -6.479 -11.307) 14.917 13.165 ( -6.453 1.815 9.240) 11.415 13.621 ( -5.574 8.741 -4.491) 11.298 13.824 ( -4.648 -5.505 3.328) 7.936 14.262 ( -2.141 1.093 -4.747) 5.321 14.466 ( 0.102 -2.969 2.421) 3.833 16.359 ( 7.077 -5.223 -2.009) 9.022 16.631 ( 8.833 0.138 -3.805) 9.619 24.952 ( 1.983 -0.476 -4.377) 4.829 25.102 ( 0.463 2.060 -1.426) 2.548 25.277 ( -1.201 -0.128 2.001) 2.337 25.619 ( -2.685 2.298 -1.855) 3.991 25.814 ( 10.304 -1.403 8.382) 13.357 26.618 ( 11.357 13.452 -11.460) 21.007 27.328 ( -10.178 -4.686 6.333) 12.871 27.792 ( -2.736 -3.784 -2.966) 5.532======================= Grid point 19 (14/171) =======================q-point: (-0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( 8.614 -9.444 -2.465) 13.019 0.888 ( 10.811 -0.626 4.197) 11.615 1.413 ( 12.729 0.409 -5.066) 13.706 1.605 ( 1.912 -1.587 6.811) 7.250 1.739 ( 2.987 -1.349 1.893) 3.785 1.781 ( 1.056 2.996 2.694) 4.165 1.903 ( 4.031 0.746 11.634) 12.335 1.974 ( 5.120 -0.151 -9.310) 10.626 2.006 ( 3.926 -2.456 3.360) 5.721 2.411 ( 17.168 1.855 -26.132) 31.322 2.687 ( 2.094 -1.246 -1.031) 2.646 2.909 ( 11.967 0.417 -3.875) 12.585 3.940 ( -11.830 -16.606 0.043) 20.389 4.117 ( 3.907 1.006 1.376) 4.263 4.403 ( -2.065 0.426 0.996) 2.332 4.941 ( 5.971 0.842 1.537) 6.223 5.218 ( -13.679 1.417 2.842) 14.042 5.573 ( -7.431 11.285 0.916) 13.543 5.652 ( -1.564 2.513 1.498) 3.318 6.153 ( 1.012 7.104 -2.243) 7.518 7.772 ( 3.800 -5.694 -0.575) 6.870 8.615 ( 1.888 1.862 0.067) 2.653 9.602 ( -5.013 0.667 6.615) 8.327 10.364 ( -4.265 3.198 4.422) 6.926 11.646 ( -2.089 -2.577 15.695) 16.042 11.977 ( 3.584 -4.471 -15.535) 16.558 12.061 ( -11.012 0.772 3.924) 11.716 13.365 ( -8.940 1.063 5.034) 10.315 13.745 ( -4.618 6.922 -2.303) 8.633 13.886 ( -6.495 -5.477 1.995) 8.727 14.271 ( -1.130 2.086 -2.089) 3.161 14.477 ( -1.001 -1.338 3.576) 3.947 16.150 ( 6.257 -10.907 -4.056) 13.212 16.432 ( 10.622 -0.783 -5.421) 11.951 24.899 ( 0.159 -0.468 -2.678) 2.724 25.105 ( 0.155 1.648 -0.600) 1.761 25.299 ( -0.535 -0.168 0.038) 0.562 25.662 ( 7.055 0.568 6.119) 9.356 25.726 ( -2.100 0.736 -2.647) 3.458 26.490 ( 14.016 19.344 -7.604) 25.070 27.491 ( -9.011 -2.968 4.475) 10.490 27.759 ( -2.291 -5.600 -3.450) 6.965======================= Grid point 20 (15/171) =======================q-point: (-0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 8.869 -11.994 -0.000) 14.917 0.701 ( 16.728 -1.759 -0.000) 16.820 1.074 ( 24.197 -3.972 -0.000) 24.521 1.598 ( 6.338 -0.807 -0.000) 6.389 1.648 ( 0.591 0.143 -0.000) 0.607 1.807 ( -0.085 1.718 0.000) 1.720 1.885 ( 0.833 1.613 0.000) 1.815 1.907 ( 18.756 3.540 -0.000) 19.087 1.932 ( -1.288 -1.108 0.000) 1.699 2.062 ( 2.577 -0.184 -0.000) 2.583 2.711 ( -2.813 -0.027 0.000) 2.813 2.726 ( 10.165 0.518 -0.000) 10.178 3.957 ( -11.325 -18.919 -0.000) 22.050 4.082 ( 2.795 2.401 -0.000) 3.685 4.424 ( -1.176 -1.253 -0.000) 1.719 4.884 ( 4.441 2.775 -0.000) 5.236 5.455 ( -12.130 1.227 0.000) 12.192 5.708 ( -2.200 1.375 0.000) 2.594 5.795 ( 0.230 17.415 0.000) 17.416 6.215 ( -4.537 4.097 0.000) 6.113 7.656 ( 4.165 -4.833 -0.000) 6.380 8.596 ( 2.071 0.775 -0.000) 2.212 9.712 ( -0.576 6.588 0.000) 6.613 10.461 ( -2.588 2.214 0.000) 3.406 11.653 ( 10.150 -4.397 -0.000) 11.062 11.869 ( -6.520 -0.906 0.000) 6.582 12.255 ( -8.930 0.759 0.000) 8.962 13.529 ( -8.698 0.026 0.000) 8.699 13.853 ( -3.185 5.385 0.000) 6.256 13.945 ( -6.503 -5.357 0.000) 8.426 14.298 ( 0.452 3.880 0.000) 3.906 14.521 ( -2.066 -0.227 0.000) 2.078 15.925 ( -0.358 -21.343 -0.000) 21.346 16.228 ( 9.854 -1.156 -0.000) 9.922 24.892 ( -1.171 -0.253 0.000) 1.197 25.117 ( -0.306 1.068 0.000) 1.111 25.294 ( 0.469 -0.378 -0.000) 0.602 25.532 ( 8.849 -0.991 -0.000) 8.905 25.837 ( -7.508 3.277 0.000) 8.192 26.408 ( 19.589 26.725 0.000) 33.136 27.622 ( -7.003 -1.269 0.000) 7.118 27.707 ( -2.033 -7.431 -0.000) 7.704======================= Grid point 23 (16/171) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.476 ( 0.000 0.000 15.937) 15.937 0.702 ( 0.000 0.000 12.281) 12.281 1.729 ( 0.000 0.000 0.717) 0.717 1.822 ( 0.000 0.000 8.940) 8.940 1.823 ( -0.000 -0.000 -5.351) 5.351 1.861 ( 0.000 0.000 20.887) 20.887 1.877 ( 0.000 0.000 8.480) 8.480 2.117 ( 0.000 0.000 18.821) 18.821 2.340 ( 0.000 0.000 22.310) 22.310 2.432 ( 0.000 0.000 35.890) 35.890 2.441 ( -0.000 -0.000 -1.889) 1.889 2.914 ( 0.000 0.000 15.397) 15.397 3.799 ( -0.000 -0.000 -0.594) 0.594 4.149 ( 0.000 0.000 3.954) 3.954 4.262 ( -0.000 -0.000 -7.261) 7.261 4.691 ( 0.000 0.000 7.113) 7.113 4.884 ( -0.000 -0.000 -11.600) 11.600 5.150 ( -0.000 -0.000 -19.675) 19.675 5.542 ( -0.000 -0.000 -4.362) 4.362 6.628 ( 0.000 0.000 11.479) 11.479 7.798 ( 0.000 0.000 13.029) 13.029 8.540 ( -0.000 -0.000 -1.231) 1.231 9.418 ( 0.000 0.000 0.590) 0.590 10.184 ( -0.000 -0.000 -18.380) 18.380 10.931 ( -0.000 -0.000 -18.979) 18.979 11.850 ( -0.000 -0.000 -27.427) 27.427 12.397 ( 0.000 0.000 16.360) 16.360 13.581 ( -0.000 -0.000 -23.373) 23.373 13.750 ( -0.000 -0.000 -6.713) 6.713 13.781 ( -0.000 -0.000 -22.945) 22.945 14.253 ( 0.000 0.000 6.303) 6.303 14.524 ( -0.000 -0.000 -1.443) 1.443 16.172 ( 0.000 0.000 25.598) 25.598 16.591 ( 0.000 0.000 19.431) 19.431 25.065 ( 0.000 0.000 6.736) 6.736 25.212 ( 0.000 0.000 3.639) 3.639 25.459 ( 0.000 0.000 9.684) 9.684 25.584 ( 0.000 0.000 6.011) 6.011 26.215 ( 0.000 0.000 9.522) 9.522 26.551 ( -0.000 -0.000 -1.890) 1.890 27.499 ( -0.000 -0.000 -12.037) 12.037 27.886 ( -0.000 -0.000 -10.758) 10.758======================= Grid point 24 (17/171) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( -4.888 5.004 15.499) 17.004 0.862 ( -6.270 1.665 10.741) 12.548 1.679 ( 3.335 -1.915 -2.875) 4.801 1.726 ( 4.365 -0.720 -3.877) 5.882 1.818 ( 6.708 1.600 7.882) 10.473 1.959 ( -3.179 -2.902 4.972) 6.576 2.006 ( 0.921 1.581 5.524) 5.819 2.224 ( 7.327 0.898 25.417) 26.467 2.345 ( 9.368 0.378 12.368) 15.520 2.521 ( -1.832 0.170 0.921) 2.057 2.968 ( -16.405 0.260 38.399) 41.758 3.116 ( -2.009 0.424 23.882) 23.970 3.840 ( -0.164 6.776 -0.519) 6.798 4.138 ( -1.063 -5.481 1.253) 5.722 4.269 ( -0.432 6.097 -6.757) 9.111 4.717 ( -2.242 -0.041 -7.686) 8.006 4.855 ( -10.408 -5.978 -11.412) 16.562 5.015 ( -2.846 4.234 -19.080) 19.750 5.578 ( -3.078 0.830 6.983) 7.677 6.663 ( 5.413 -1.869 8.173) 9.979 7.918 ( 0.858 1.843 13.139) 13.295 8.537 ( -1.623 -0.695 -1.800) 2.521 9.395 ( 3.893 1.788 -3.415) 5.479 10.001 ( 1.399 0.898 -20.319) 20.387 10.824 ( -6.019 1.854 -16.110) 17.297 11.605 ( -1.466 -0.457 -28.408) 28.450 12.544 ( 0.358 1.005 16.525) 16.559 13.331 ( 5.970 -2.095 -17.083) 18.218 13.551 ( 4.276 0.729 -15.833) 16.416 13.733 ( -3.913 0.485 -10.401) 11.123 14.299 ( -0.602 -2.363 4.834) 5.414 14.500 ( -3.374 -7.239 0.399) 7.997 16.422 ( 1.037 8.278 20.117) 21.778 16.751 ( 0.561 1.165 15.315) 15.370 25.124 ( 0.143 -0.115 6.915) 6.918 25.216 ( 3.230 -0.357 3.564) 4.823 25.511 ( 5.106 0.447 8.929) 10.296 25.607 ( 3.568 0.267 6.397) 7.330 26.214 ( 8.023 -1.622 9.765) 12.742 26.620 ( -10.956 -5.469 2.681) 12.535 27.349 ( 4.426 1.096 -12.890) 13.673 27.786 ( -2.563 -3.685 -10.881) 11.770======================= Grid point 25 (18/171) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( -6.018 4.601 12.990) 15.038 1.103 ( -9.252 3.503 10.136) 14.164 1.551 ( 6.308 -3.335 -2.312) 7.501 1.626 ( 4.698 -0.030 -2.403) 5.277 1.799 ( 6.711 2.493 7.387) 10.286 1.955 ( 6.137 -2.334 7.099) 9.670 2.045 ( -5.097 0.246 -5.352) 7.395 2.318 ( 10.186 -0.978 22.588) 24.798 2.385 ( 3.831 1.123 17.746) 18.190 2.512 ( 3.485 1.423 1.983) 4.254 3.364 ( -3.024 2.530 20.310) 20.690 3.473 ( -9.721 0.728 24.966) 26.801 3.893 ( -0.524 3.705 -0.956) 3.862 4.127 ( -0.378 -2.553 2.309) 3.463 4.230 ( 4.395 2.114 -3.384) 5.936 4.650 ( -5.408 0.211 -18.414) 19.193 4.816 ( -5.617 -4.129 -13.541) 15.230 4.992 ( -9.533 1.276 -16.851) 19.403 5.747 ( -2.973 1.821 14.788) 15.194 6.583 ( 9.321 -2.092 4.321) 10.484 8.026 ( 1.719 1.471 11.654) 11.872 8.536 ( -2.135 -1.716 -3.000) 4.063 9.281 ( 7.130 2.528 -4.486) 8.795 9.836 ( -0.015 2.749 -16.246) 16.477 10.872 ( -12.409 2.189 -11.040) 16.753 11.410 ( -5.052 -0.383 -25.464) 25.963 12.697 ( 0.183 1.612 16.156) 16.238 13.088 ( 6.552 -3.307 -10.078) 12.467 13.380 ( 2.815 2.411 -13.345) 13.850 13.707 ( -4.026 0.795 -10.477) 11.252 14.310 ( -0.468 -4.972 3.557) 6.132 14.506 ( -4.914 -7.280 0.968) 8.836 16.612 ( 3.888 6.982 14.695) 16.727 16.856 ( 2.627 2.510 10.049) 10.686 25.168 ( 2.315 -0.347 3.436) 4.158 25.189 ( 2.313 0.428 4.825) 5.368 25.452 ( 10.121 -0.451 5.087) 11.336 25.605 ( 3.993 1.195 5.003) 6.511 26.172 ( 6.762 -1.727 11.366) 13.337 26.783 ( -12.124 -8.230 6.179) 15.903 27.178 ( 5.479 2.873 -12.270) 13.741 27.713 ( -4.242 -2.973 -10.096) 11.347======================= Grid point 26 (19/171) =======================q-point: ( 0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( -5.286 1.778 9.058) 10.637 1.328 ( -2.350 1.150 2.487) 3.610 1.415 ( 4.090 -1.359 2.905) 5.197 1.556 ( 2.615 1.680 1.760) 3.571 1.790 ( 7.001 2.707 9.437) 12.058 1.900 ( 5.018 -1.781 5.395) 7.580 2.061 ( -4.120 0.920 -7.840) 8.905 2.346 ( 7.605 -2.096 14.037) 16.102 2.377 ( 8.272 -1.664 8.679) 12.104 2.576 ( 5.770 3.892 18.946) 20.184 3.623 ( -5.758 3.459 15.591) 16.976 3.668 ( 1.555 0.479 2.842) 3.275 3.873 ( 2.496 -1.109 -6.905) 7.426 4.107 ( 5.492 -1.996 5.176) 7.806 4.182 ( -0.278 -0.863 5.071) 5.151 4.603 ( -8.616 2.064 -17.751) 19.839 4.763 ( -5.481 -0.829 -11.202) 12.498 4.991 ( -9.506 -0.487 -17.895) 20.269 5.912 ( 1.495 2.381 13.324) 13.617 6.423 ( 11.610 -0.815 -0.255) 11.642 8.087 ( 2.516 -1.248 8.881) 9.315 8.525 ( -2.128 -1.035 -2.906) 3.747 9.204 ( 2.610 1.616 2.073) 3.705 9.796 ( -3.725 5.000 -6.980) 9.360 11.018 ( -14.732 0.697 -8.430) 16.988 11.320 ( -9.203 0.567 -18.987) 21.107 12.823 ( 3.138 -1.531 6.104) 7.032 12.908 ( 3.407 -1.582 2.759) 4.661 13.285 ( 0.208 5.451 -10.199) 11.566 13.691 ( -4.877 1.082 -10.627) 11.743 14.290 ( -0.662 -6.749 2.681) 7.292 14.520 ( -3.990 -6.418 0.325) 7.564 16.687 ( 6.609 3.543 9.859) 12.386 16.895 ( 4.986 3.548 5.821) 8.446 25.127 ( 3.726 0.887 0.585) 3.874 25.210 ( 2.475 1.157 1.342) 3.044 25.317 ( 8.778 -2.034 4.133) 9.913 25.592 ( 3.610 1.620 2.461) 4.660 26.167 ( 7.040 -0.663 13.506) 15.245 26.904 ( -4.342 -4.275 -3.588) 7.071 27.040 ( 0.446 -1.338 -2.050) 2.488 27.690 ( -5.676 -1.502 -7.919) 9.858======================= Grid point 27 (20/171) =======================q-point: ( 0.60 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 6.912 -2.142 -0.546) 7.257 1.272 ( 3.851 -1.478 2.674) 4.915 1.446 ( -3.848 -0.312 2.310) 4.499 1.654 ( -2.832 4.676 4.342) 6.981 1.805 ( 7.973 1.421 15.250) 17.267 1.868 ( 2.661 -0.323 3.715) 4.582 2.059 ( -2.320 1.243 -6.170) 6.708 2.220 ( 5.430 -0.625 -8.373) 9.999 2.371 ( 13.565 -3.406 26.024) 29.544 2.662 ( 6.764 2.613 13.991) 15.759 3.531 ( 10.024 -0.540 -10.267) 14.359 3.636 ( 12.766 -0.769 -14.052) 19.000 3.816 ( -5.944 -4.182 4.610) 8.606 4.144 ( -3.338 -3.024 12.321) 13.119 4.249 ( 0.479 0.478 9.051) 9.076 4.632 ( -10.618 1.084 -14.048) 17.643 4.797 ( -6.765 3.982 -4.698) 9.149 4.980 ( -9.798 1.231 -17.124) 19.767 5.951 ( 8.941 2.260 7.061) 11.616 6.230 ( 10.139 1.805 -2.812) 10.675 8.074 ( 3.046 -5.097 4.753) 7.606 8.546 ( -1.801 2.157 -0.873) 2.942 9.271 ( -3.726 -0.433 8.470) 9.264 9.908 ( -6.781 6.290 0.550) 9.266 11.170 ( -15.004 -1.993 -7.526) 16.903 11.388 ( -13.399 2.280 -8.541) 16.052 12.647 ( 8.970 -5.790 -3.619) 11.273 13.011 ( -2.113 0.879 9.522) 9.793 13.307 ( -3.029 8.129 -4.133) 9.609 13.695 ( -5.941 1.361 -9.553) 11.332 14.260 ( -1.321 -7.086 2.028) 7.488 14.512 ( -2.441 -5.592 -0.538) 6.125 16.653 ( 8.550 0.513 5.256) 10.050 16.867 ( 7.695 3.303 2.635) 8.779 25.086 ( 4.019 1.685 -0.920) 4.454 25.116 ( 6.300 0.880 -2.274) 6.755 25.278 ( 1.019 -1.549 3.908) 4.325 25.571 ( 2.404 1.616 0.240) 2.906 26.165 ( 9.672 0.287 14.620) 17.532 26.752 ( 8.223 5.395 -14.297) 17.353 27.130 ( -10.049 -8.677 6.479) 14.773 27.713 ( -5.877 -1.509 -4.923) 7.814======================= Grid point 28 (21/171) =======================q-point: (-0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 6.567 -0.104 0.449) 6.583 1.154 ( 7.095 -4.687 -0.900) 8.551 1.546 ( -5.038 -0.602 2.507) 5.659 1.733 ( -0.169 3.879 0.526) 3.919 1.773 ( 10.613 -0.874 7.567) 13.064 1.906 ( 2.609 1.181 10.407) 10.794 2.017 ( 1.750 -0.783 -6.196) 6.486 2.083 ( 2.265 1.234 -7.481) 7.913 2.335 ( 13.799 -2.995 21.004) 25.309 2.642 ( 7.324 0.412 2.620) 7.790 3.188 ( 18.308 -1.106 -14.568) 23.423 3.310 ( 14.056 0.798 -8.376) 16.382 3.863 ( -9.344 -12.010 0.137) 15.217 4.223 ( 1.691 -1.734 5.102) 5.648 4.340 ( -0.667 0.935 5.767) 5.880 4.747 ( -14.957 0.208 -3.674) 15.403 4.927 ( -5.527 4.499 -0.181) 7.129 5.055 ( -12.466 5.696 -10.441) 17.230 5.804 ( 13.487 1.368 0.495) 13.565 6.140 ( 5.351 5.583 -0.087) 7.734 7.995 ( 3.384 -6.514 1.519) 7.497 8.588 ( -0.370 3.641 -0.158) 3.663 9.419 ( -6.640 -1.674 6.792) 9.644 10.098 ( -7.229 6.360 2.630) 9.982 11.342 ( -15.954 -2.621 -2.024) 16.294 11.594 ( -15.433 2.107 -1.770) 15.676 12.404 ( 11.152 -6.525 -2.969) 13.257 13.132 ( -4.645 1.090 4.663) 6.671 13.433 ( -4.946 8.066 -0.234) 9.464 13.738 ( -6.688 1.211 -5.421) 8.694 14.239 ( -2.211 -6.090 1.071) 6.567 14.490 ( -1.639 -4.407 -0.580) 4.737 16.531 ( 9.829 -2.262 1.472) 10.192 16.762 ( 10.454 2.052 0.079) 10.653 24.984 ( 5.327 -0.054 -1.793) 5.621 25.082 ( 1.408 2.739 -0.843) 3.193 25.286 ( -0.182 -0.739 1.476) 1.661 25.561 ( 0.043 1.530 -0.782) 1.719 26.106 ( 13.220 -0.520 10.727) 17.033 26.569 ( 9.338 10.363 -10.702) 17.582 27.264 ( -10.744 -7.157 3.661) 13.419 27.744 ( -4.792 -3.174 -2.336) 6.204======================= Grid point 29 (22/171) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 8.098 -7.605 -0.000) 11.110 1.007 ( 5.483 1.473 -0.000) 5.678 1.600 ( 13.826 0.781 -0.000) 13.848 1.617 ( -3.596 -1.403 0.000) 3.860 1.765 ( 0.260 2.667 0.000) 2.680 1.919 ( 6.762 -1.949 -0.000) 7.037 1.956 ( 0.677 -1.641 -0.000) 1.775 1.980 ( 4.612 1.624 -0.000) 4.890 2.249 ( 9.831 -1.618 -0.000) 9.963 2.494 ( 12.592 1.665 -0.000) 12.701 2.804 ( 14.824 -3.047 -0.000) 15.134 3.078 ( 13.411 1.827 -0.000) 13.535 3.903 ( -11.799 -15.199 -0.000) 19.242 4.185 ( 3.603 -0.870 -0.000) 3.706 4.378 ( -0.803 1.277 0.000) 1.508 4.983 ( -14.128 -0.134 0.000) 14.129 5.002 ( -0.967 1.905 0.000) 2.136 5.287 ( -13.367 9.467 0.000) 16.380 5.663 ( 5.956 2.752 -0.000) 6.561 6.127 ( 4.346 7.229 0.000) 8.435 7.885 ( 3.749 -6.198 -0.000) 7.244 8.615 ( 0.977 3.093 0.000) 3.244 9.541 ( -6.640 -1.108 0.000) 6.732 10.268 ( -5.693 5.188 0.000) 7.702 11.562 ( -14.872 -2.098 0.000) 15.020 11.845 ( -14.760 1.571 0.000) 14.843 12.140 ( 12.490 -6.688 -0.000) 14.168 13.256 ( -7.250 0.705 0.000) 7.284 13.586 ( -5.419 7.732 0.000) 9.442 13.822 ( -6.540 -1.233 0.000) 6.655 14.237 ( -2.702 -3.241 -0.000) 4.220 14.481 ( -1.889 -2.838 -0.000) 3.409 16.344 ( 9.808 -5.809 -0.000) 11.399 16.594 ( 12.104 0.587 -0.000) 12.118 24.912 ( 2.540 -0.402 -0.000) 2.572 25.088 ( 0.622 2.559 0.000) 2.634 25.294 ( -0.521 -0.233 0.000) 0.570 25.598 ( -3.507 1.915 0.000) 3.995 25.926 ( 14.061 -1.538 -0.000) 14.145 26.486 ( 11.254 15.665 0.000) 19.289 27.391 ( -10.541 -4.759 0.000) 11.565 27.756 ( -3.251 -5.239 -0.000) 6.166======================= Grid point 34 (23/171) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 0.000 0.000 17.137) 17.137 0.888 ( 0.000 0.000 9.532) 9.532 1.686 ( -0.000 -0.000 -2.801) 2.801 1.730 ( -0.000 -0.000 -4.867) 4.867 1.865 ( -0.000 -0.000 -1.383) 1.383 1.909 ( -0.000 -0.000 -4.942) 4.942 2.088 ( 0.000 0.000 8.397) 8.397 2.505 ( 0.000 0.000 0.339) 0.339 2.528 ( 0.000 0.000 12.177) 12.177 2.593 ( 0.000 0.000 30.550) 30.550 3.186 ( 0.000 0.000 42.077) 42.077 3.346 ( 0.000 0.000 27.901) 27.901 3.807 ( 0.000 0.000 1.487) 1.487 4.074 ( -0.000 -0.000 -14.384) 14.384 4.243 ( 0.000 0.000 6.773) 6.773 4.663 ( -0.000 -0.000 -9.607) 9.607 4.674 ( -0.000 -0.000 -11.608) 11.608 4.802 ( -0.000 -0.000 -19.547) 19.547 5.659 ( 0.000 0.000 17.530) 17.530 6.770 ( 0.000 0.000 3.834) 3.834 8.034 ( 0.000 0.000 13.118) 13.118 8.511 ( -0.000 -0.000 -2.026) 2.026 9.400 ( -0.000 -0.000 -2.781) 2.781 9.819 ( -0.000 -0.000 -21.631) 21.631 10.619 ( -0.000 -0.000 -15.342) 15.342 11.327 ( -0.000 -0.000 -30.568) 30.568 12.687 ( 0.000 0.000 16.301) 16.301 13.241 ( -0.000 -0.000 -14.169) 14.169 13.445 ( -0.000 -0.000 -15.267) 15.267 13.616 ( -0.000 -0.000 -8.570) 8.570 14.347 ( 0.000 0.000 4.327) 4.327 14.497 ( -0.000 -0.000 -1.471) 1.471 16.570 ( 0.000 0.000 19.284) 19.284 16.877 ( 0.000 0.000 12.332) 12.332 25.184 ( 0.000 0.000 6.344) 6.344 25.276 ( 0.000 0.000 3.312) 3.312 25.645 ( 0.000 0.000 10.724) 10.724 25.698 ( 0.000 0.000 6.625) 6.625 26.425 ( 0.000 0.000 14.268) 14.268 26.528 ( -0.000 -0.000 -0.217) 0.217 27.254 ( -0.000 -0.000 -15.212) 15.212 27.657 ( -0.000 -0.000 -15.007) 15.007======================= Grid point 35 (24/171) =======================q-point: ( 0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( -3.459 2.823 14.663) 15.328 1.030 ( -6.241 2.338 9.008) 11.205 1.627 ( 3.289 -2.565 -2.815) 5.032 1.656 ( 2.960 -0.042 -3.229) 4.381 1.845 ( 0.916 1.458 -2.237) 2.823 1.898 ( -4.184 1.218 -7.671) 8.823 2.125 ( 3.230 -1.645 7.351) 8.196 2.472 ( 1.860 -0.770 -3.142) 3.732 2.650 ( 2.494 1.426 18.576) 18.797 2.767 ( 10.124 0.584 31.124) 32.734 3.546 ( 2.789 0.290 21.810) 21.989 3.578 ( -4.702 0.727 26.968) 27.385 3.852 ( -1.639 1.651 1.262) 2.647 4.010 ( -8.464 0.677 -12.704) 15.281 4.287 ( 3.238 0.890 5.581) 6.514 4.490 ( 2.995 -0.908 -12.242) 12.636 4.641 ( -4.368 -2.527 -14.982) 15.809 4.701 ( -7.141 1.936 -15.189) 16.895 5.861 ( -1.410 1.124 22.089) 22.163 6.731 ( 5.540 -1.033 -1.340) 5.792 8.142 ( 0.743 0.349 11.678) 11.707 8.496 ( -1.244 -1.156 -2.952) 3.405 9.331 ( 5.442 1.622 -3.340) 6.588 9.650 ( -1.171 1.611 -17.972) 18.082 10.584 ( -9.154 1.328 -10.269) 13.820 11.095 ( -4.226 -0.089 -27.916) 28.234 12.831 ( 0.199 0.648 15.811) 15.826 13.107 ( 3.495 -1.294 -7.691) 8.546 13.303 ( 2.533 0.346 -11.647) 11.925 13.556 ( -2.005 0.870 -10.493) 10.718 14.374 ( -0.469 -2.762 3.543) 4.516 14.491 ( -3.446 -4.281 -1.079) 5.601 16.733 ( 1.785 4.157 14.735) 15.414 16.956 ( 1.977 1.201 7.639) 7.981 25.231 ( 0.640 -0.268 4.881) 4.930 25.274 ( 3.353 -0.120 2.774) 4.353 25.666 ( 8.407 -0.242 7.808) 11.476 25.717 ( 4.817 1.105 5.776) 7.602 26.395 ( 7.470 -1.890 10.310) 12.871 26.711 ( -12.390 -4.523 8.280) 15.573 27.102 ( 2.929 2.228 -14.405) 14.868 27.549 ( -4.660 -1.762 -15.404) 16.190======================= Grid point 36 (25/171) =======================q-point: ( 0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -5.188 0.934 8.610) 10.095 1.257 ( -6.732 5.241 7.676) 11.476 1.517 ( 4.486 -3.037 -1.197) 5.548 1.588 ( 2.800 -0.216 -1.454) 3.163 1.834 ( 0.114 2.323 -1.821) 2.954 1.913 ( -3.822 2.211 -6.592) 7.934 2.101 ( 5.976 -2.228 8.510) 10.635 2.380 ( 3.605 -0.978 -6.083) 7.138 2.779 ( 7.390 -0.578 24.262) 25.369 2.880 ( 9.579 1.981 26.392) 28.146 3.670 ( 0.374 0.351 7.830) 7.847 3.731 ( 1.951 2.297 7.429) 8.017 3.867 ( 1.513 -0.427 -2.781) 3.195 4.122 ( -10.789 1.506 -5.341) 12.132 4.254 ( 4.471 -1.612 5.776) 7.480 4.371 ( 0.402 0.924 -6.686) 6.761 4.577 ( -4.953 0.068 -12.181) 13.150 4.698 ( -8.431 -0.462 -16.007) 18.098 6.062 ( 1.838 1.502 18.943) 19.091 6.571 ( 9.435 -0.534 -6.061) 11.226 8.215 ( 1.502 -1.471 9.225) 9.462 8.474 ( -1.818 -1.420 -3.826) 4.467 9.257 ( 3.268 1.072 1.842) 3.901 9.602 ( -4.831 5.202 -9.844) 12.137 10.712 ( -14.188 0.588 -6.569) 15.646 10.984 ( -9.564 0.786 -20.692) 22.809 12.943 ( 3.619 -1.012 6.027) 7.103 13.000 ( 2.095 -1.673 4.837) 5.530 13.189 ( 2.150 3.110 -7.234) 8.162 13.507 ( -3.150 1.850 -12.114) 12.653 14.369 ( -0.880 -6.432 2.863) 7.095 14.503 ( -4.381 -4.888 -0.896) 6.624 16.830 ( 4.731 3.590 9.621) 11.306 16.977 ( 3.943 3.033 3.649) 6.169 25.210 ( 4.926 -0.487 1.714) 5.238 25.256 ( 2.728 1.066 2.251) 3.694 25.540 ( 11.839 -2.205 4.227) 12.763 25.681 ( 6.642 2.330 3.237) 7.747 26.389 ( 5.277 -1.164 13.110) 14.180 26.842 ( -3.928 -5.734 -5.727) 9.006 27.021 ( -2.797 0.507 0.833) 2.962 27.506 ( -7.652 -0.740 -12.452) 14.634======================= Grid point 37 (26/171) =======================q-point: ( 0.60 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( -2.017 -1.425 2.038) 3.202 1.367 ( 3.088 0.442 2.456) 3.970 1.438 ( 1.369 -1.257 0.377) 1.896 1.594 ( -2.692 3.388 1.741) 4.665 1.861 ( -1.784 2.499 0.409) 3.098 1.942 ( -2.893 2.507 -3.815) 5.405 2.065 ( 6.703 -1.463 10.170) 12.268 2.237 ( 5.663 -0.691 -8.398) 10.152 2.808 ( 11.905 -2.679 18.748) 22.370 2.939 ( 10.884 1.256 16.779) 20.039 3.587 ( 6.310 -0.843 -6.489) 9.091 3.695 ( 9.988 0.520 -11.761) 15.439 3.848 ( -0.702 -1.342 8.107) 8.247 4.197 ( -8.280 -1.036 1.301) 8.446 4.325 ( -2.314 -1.019 8.700) 9.060 4.371 ( -2.268 1.501 -3.597) 4.509 4.591 ( -7.227 3.650 -7.395) 10.965 4.682 ( -8.376 0.554 -14.724) 16.949 6.146 ( 7.386 1.868 12.686) 14.798 6.341 ( 11.247 0.748 -8.584) 14.169 8.211 ( 2.597 -5.649 4.282) 7.549 8.482 ( -2.301 1.919 -1.666) 3.428 9.292 ( -2.578 -0.963 5.412) 6.071 9.711 ( -7.802 8.170 -3.013) 11.691 10.881 ( -15.794 -2.366 -5.708) 16.960 11.066 ( -14.800 2.829 -7.835) 16.983 12.813 ( 8.235 -4.412 -0.464) 9.354 13.038 ( -0.083 0.678 1.589) 1.730 13.219 ( -1.105 4.687 5.443) 7.267 13.487 ( -4.936 3.612 -10.942) 12.535 14.337 ( -1.507 -8.868 1.866) 9.187 14.510 ( -3.258 -4.940 -0.772) 5.968 16.816 ( 7.603 1.239 4.100) 8.727 16.960 ( 6.129 4.526 1.640) 7.794 25.140 ( 5.051 0.765 0.587) 5.142 25.206 ( 7.235 2.133 -0.667) 7.572 25.386 ( 6.516 -3.914 2.416) 7.976 25.623 ( 5.676 2.344 0.943) 6.213 26.423 ( 7.007 0.788 15.100) 16.665 26.695 ( 5.474 1.976 -14.794) 15.898 27.120 ( -8.753 -9.395 4.904) 13.745 27.557 ( -8.671 0.642 -5.578) 10.330======================= Grid point 38 (27/171) =======================q-point: (-0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.203 ( 6.309 -2.501 -0.000) 6.787 1.290 ( 6.232 -2.535 -0.000) 6.727 1.477 ( -5.230 -0.316 0.000) 5.240 1.683 ( -1.755 4.554 0.000) 4.880 1.926 ( -0.701 2.138 0.000) 2.250 1.969 ( -1.405 0.550 0.000) 1.509 2.031 ( 8.793 -0.749 -0.000) 8.825 2.069 ( 4.062 0.835 -0.000) 4.147 2.675 ( 13.119 -3.045 -0.000) 13.468 2.831 ( 12.300 -0.688 -0.000) 12.320 3.389 ( 14.342 -0.258 -0.000) 14.344 3.459 ( 12.933 2.044 -0.000) 13.094 3.853 ( -4.780 -9.348 -0.000) 10.499 4.303 ( 1.445 -3.261 -0.000) 3.567 4.369 ( 0.334 -0.198 -0.000) 0.388 4.476 ( -15.749 2.257 0.000) 15.910 4.753 ( -12.215 4.350 0.000) 12.966 4.766 ( -7.854 5.112 0.000) 9.371 6.037 ( 15.887 0.829 -0.000) 15.908 6.179 ( 5.795 3.853 -0.000) 6.959 8.120 ( 3.269 -7.168 -0.000) 7.879 8.536 ( -1.551 3.834 0.000) 4.135 9.373 ( -5.566 -1.960 0.000) 5.901 9.912 ( -8.666 8.403 0.000) 12.071 11.087 ( -17.659 -3.157 0.000) 17.939 11.310 ( -16.528 2.602 0.000) 16.732 12.619 ( 10.279 -5.603 -0.000) 11.707 13.078 ( -2.493 2.150 0.000) 3.292 13.322 ( -2.881 4.556 0.000) 5.390 13.566 ( -6.732 4.695 0.000) 8.207 14.288 ( -1.967 -9.039 -0.000) 9.251 14.501 ( -2.130 -4.960 -0.000) 5.399 16.703 ( 9.415 -0.319 -0.000) 9.421 16.890 ( 8.881 3.761 -0.000) 9.645 25.082 ( 8.567 0.939 -0.000) 8.618 25.090 ( 3.282 2.139 -0.000) 3.918 25.314 ( 1.322 -2.315 -0.000) 2.666 25.573 ( 3.484 1.745 -0.000) 3.897 26.377 ( 12.478 -0.205 -0.000) 12.480 26.544 ( 6.236 7.070 0.000) 9.427 27.196 ( -10.144 -9.624 0.000) 13.983 27.659 ( -7.113 -0.984 0.000) 7.181======================= Grid point 45 (28/171) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( 0.000 0.000 12.251) 12.251 1.047 ( 0.000 0.000 8.242) 8.242 1.645 ( -0.000 -0.000 -1.684) 1.684 1.660 ( -0.000 -0.000 -2.860) 2.860 1.784 ( -0.000 -0.000 -6.720) 6.720 1.810 ( -0.000 -0.000 -4.397) 4.397 2.222 ( 0.000 0.000 7.180) 7.180 2.453 ( -0.000 -0.000 -5.119) 5.119 2.814 ( 0.000 0.000 18.855) 18.855 3.093 ( 0.000 0.000 22.594) 22.594 3.761 ( 0.000 0.000 17.835) 17.835 3.779 ( -0.000 -0.000 -16.150) 16.150 3.788 ( 0.000 0.000 23.680) 23.680 3.835 ( 0.000 0.000 0.267) 0.267 4.371 ( 0.000 0.000 6.541) 6.541 4.461 ( -0.000 -0.000 -10.885) 10.885 4.479 ( -0.000 -0.000 -15.733) 15.733 4.498 ( -0.000 -0.000 -7.433) 7.433 6.061 ( 0.000 0.000 25.261) 25.261 6.737 ( -0.000 -0.000 -8.197) 8.197 8.243 ( 0.000 0.000 10.153) 10.153 8.465 ( -0.000 -0.000 -3.322) 3.322 9.335 ( -0.000 -0.000 -3.586) 3.586 9.481 ( -0.000 -0.000 -15.076) 15.076 10.432 ( -0.000 -0.000 -4.664) 4.664 10.822 ( -0.000 -0.000 -25.148) 25.148 12.968 ( 0.000 0.000 15.379) 15.379 13.091 ( -0.000 -0.000 -3.210) 3.210 13.230 ( -0.000 -0.000 -9.409) 9.409 13.443 ( -0.000 -0.000 -11.112) 11.112 14.408 ( 0.000 0.000 2.673) 2.673 14.472 ( -0.000 -0.000 -1.402) 1.402 16.849 ( 0.000 0.000 12.289) 12.289 17.016 ( 0.000 0.000 3.424) 3.424 25.278 ( 0.000 0.000 4.072) 4.072 25.321 ( 0.000 0.000 1.523) 1.523 25.804 ( 0.000 0.000 5.025) 5.025 25.806 ( 0.000 0.000 6.591) 6.591 26.566 ( 0.000 0.000 5.275) 5.275 26.710 ( 0.000 0.000 17.697) 17.697 26.978 ( -0.000 -0.000 -15.624) 15.624 27.365 ( -0.000 -0.000 -17.886) 17.886======================= Grid point 46 (29/171) =======================q-point: ( 0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -3.305 0.167 5.517) 6.434 1.182 ( -4.700 4.092 5.810) 8.520 1.591 ( 2.951 -2.782 -0.907) 4.156 1.618 ( 1.969 -0.506 -1.096) 2.310 1.770 ( -1.667 1.032 -3.733) 4.216 1.800 ( -1.960 3.304 -3.195) 4.997 2.255 ( 2.836 -1.431 7.301) 7.962 2.380 ( 2.281 -0.865 -6.469) 6.913 3.001 ( -0.484 1.163 19.650) 19.690 3.186 ( 4.726 0.163 8.566) 9.784 3.690 ( 0.562 0.443 -2.785) 2.876 3.799 ( 1.929 2.130 -1.000) 3.042 3.887 ( 1.278 0.124 5.814) 5.955 3.955 ( -2.532 0.614 2.959) 3.942 4.351 ( 1.356 -1.033 -0.212) 1.718 4.371 ( 0.678 0.396 -1.564) 1.750 4.433 ( -2.107 -0.147 -3.501) 4.089 4.485 ( -4.252 -0.563 -8.771) 9.764 6.268 ( 1.985 0.509 22.239) 22.333 6.598 ( 4.648 -0.068 -13.703) 14.470 8.317 ( 0.281 -1.166 7.947) 8.037 8.430 ( -0.730 -1.214 -4.618) 4.830 9.302 ( 1.697 0.373 0.447) 1.794 9.410 ( -3.186 3.403 -8.464) 9.663 10.498 ( -8.499 0.555 1.602) 8.666 10.677 ( -6.351 0.720 -17.742) 18.859 13.047 ( 3.368 -1.002 2.425) 4.270 13.093 ( 0.542 -2.293 7.058) 7.441 13.154 ( 1.438 2.845 -0.804) 3.288 13.353 ( -1.037 1.257 -12.489) 12.595 14.423 ( -1.003 -3.649 1.995) 4.278 14.469 ( -2.804 -2.375 -1.284) 3.893 16.936 ( 2.241 2.038 8.046) 8.597 17.018 ( 2.142 1.663 -0.557) 2.768 25.290 ( 2.335 -0.648 1.754) 2.992 25.308 ( 2.405 0.376 0.969) 2.620 25.762 ( 9.308 -1.266 2.756) 9.790 25.796 ( 6.747 2.141 2.666) 7.564 26.582 ( 3.367 -2.228 11.361) 12.057 26.794 ( -0.711 -5.893 -9.627) 11.310 26.974 ( -5.936 2.893 10.129) 12.091 27.262 ( -6.744 0.650 -16.353) 17.701======================= Grid point 47 (30/171) =======================q-point: ( 0.60 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( -4.610 -0.298 0.000) 4.620 1.336 ( -4.490 5.439 0.000) 7.052 1.510 ( 3.735 -2.748 -0.000) 4.636 1.576 ( 1.381 -0.672 -0.000) 1.536 1.796 ( -2.452 1.864 0.000) 3.080 1.857 ( -2.445 3.868 0.000) 4.576 2.232 ( 4.680 -2.330 -0.000) 5.228 2.269 ( 4.602 -0.499 -0.000) 4.629 3.075 ( 7.171 -2.083 -0.000) 7.468 3.145 ( 5.413 1.527 -0.000) 5.624 3.652 ( 3.606 -1.714 -0.000) 3.993 3.748 ( 6.266 2.945 -0.000) 6.924 3.928 ( 2.463 0.559 -0.000) 2.526 3.973 ( -7.496 3.102 0.000) 8.113 4.385 ( -2.726 -4.163 -0.000) 4.976 4.401 ( -0.478 -0.132 0.000) 0.496 4.423 ( -2.734 1.306 0.000) 3.030 4.484 ( -4.996 1.731 0.000) 5.287 6.347 ( 6.265 -0.625 -0.000) 6.296 6.401 ( 7.742 1.938 -0.000) 7.981 8.318 ( 1.503 -5.049 -0.000) 5.268 8.421 ( -2.010 1.163 0.000) 2.322 9.299 ( -1.132 -1.610 -0.000) 1.968 9.502 ( -6.119 8.114 0.000) 10.163 10.661 ( -11.962 -2.267 0.000) 12.175 10.772 ( -13.386 3.526 0.000) 13.843 12.965 ( 6.416 -3.355 -0.000) 7.240 13.047 ( 2.037 0.414 -0.000) 2.078 13.239 ( -0.049 1.268 0.000) 1.269 13.315 ( -3.240 4.241 0.000) 5.337 14.398 ( -1.659 -7.698 -0.000) 7.875 14.491 ( -3.602 -3.206 0.000) 4.822 16.928 ( 5.462 1.072 -0.000) 5.566 16.998 ( 3.651 4.554 0.000) 5.836 25.226 ( 5.151 -0.647 -0.000) 5.192 25.275 ( 4.159 1.514 -0.000) 4.426 25.580 ( 11.619 -3.249 -0.000) 12.065 25.711 ( 7.947 2.948 -0.000) 8.477 26.618 ( 2.445 -1.118 -0.000) 2.688 26.643 ( 4.377 -0.750 -0.000) 4.441 27.108 ( -7.198 -7.997 -0.000) 10.759 27.350 ( -10.585 3.773 0.000) 11.237======================= Grid point 58 (31/171) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( -0.000 -0.000 -1.328) 1.328 1.147 ( 0.000 0.000 1.328) 1.328 1.632 ( -0.000 -0.000 -0.366) 0.366 1.632 ( 0.000 0.000 0.366) 0.366 1.739 ( -0.000 -0.000 -2.058) 2.058 1.739 ( 0.000 0.000 2.058) 2.058 2.345 ( -0.000 -0.000 -6.752) 6.752 2.345 ( 0.000 0.000 6.752) 6.752 3.147 ( -0.000 -0.000 -15.796) 15.796 3.147 ( 0.000 0.000 15.796) 15.796 3.741 ( -0.000 -0.000 -10.198) 10.198 3.741 ( 0.000 0.000 10.198) 10.198 3.959 ( -0.000 -0.000 -3.339) 3.339 3.959 ( 0.000 0.000 3.339) 3.339 4.337 ( -0.000 -0.000 -1.169) 1.169 4.337 ( 0.000 0.000 1.169) 1.169 4.436 ( -0.000 -0.000 -1.158) 1.158 4.436 ( 0.000 0.000 1.158) 1.158 6.478 ( -0.000 -0.000 -20.432) 20.432 6.478 ( 0.000 0.000 20.432) 20.432 8.386 ( -0.000 -0.000 -6.055) 6.055 8.386 ( 0.000 0.000 6.055) 6.055 9.319 ( -0.000 -0.000 -3.226) 3.226 9.319 ( 0.000 0.000 3.226) 3.226 10.489 ( -0.000 -0.000 -11.482) 11.482 10.489 ( 0.000 0.000 11.482) 11.482 13.107 ( -0.000 -0.000 -4.397) 4.397 13.107 ( 0.000 0.000 4.397) 4.397 13.225 ( -0.000 -0.000 -13.572) 13.572 13.225 ( 0.000 0.000 13.572) 13.572 14.446 ( -0.000 -0.000 -1.702) 1.702 14.446 ( 0.000 0.000 1.702) 1.702 17.002 ( -0.000 -0.000 -4.904) 4.904 17.002 ( 0.000 0.000 4.904) 4.904 25.325 ( -0.000 -0.000 -1.165) 1.165 25.325 ( 0.000 0.000 1.165) 1.165 25.859 ( -0.000 -0.000 -0.539) 0.539 25.859 ( 0.000 0.000 0.539) 0.539 26.725 ( -0.000 -0.000 -12.346) 12.346 26.725 ( 0.000 0.000 12.346) 12.346 27.037 ( -0.000 -0.000 -18.916) 18.916 27.037 ( 0.000 0.000 18.916) 18.916======================= Grid point 106 (32/171) =======================q-point: ( 0.10 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.210 ( -0.000 11.235 0.000) 11.235 0.235 ( -0.000 12.617 0.000) 12.617 0.485 ( -0.000 25.736 0.000) 25.736 1.426 ( 0.000 -2.555 -0.000) 2.555 1.569 ( -0.000 3.523 0.000) 3.523 1.616 ( 0.000 -0.215 -0.000) 0.215 1.824 ( 0.000 -0.903 -0.000) 0.903 1.913 ( 0.000 -2.217 -0.000) 2.217 1.982 ( -0.000 2.468 0.000) 2.468 2.002 ( 0.000 -2.407 -0.000) 2.407 2.547 ( -0.000 0.177 0.000) 0.177 2.751 ( 0.000 -1.731 -0.000) 1.731 4.007 ( 0.000 -6.058 -0.000) 6.058 4.449 ( -0.000 3.291 0.000) 3.291 4.506 ( -0.000 9.941 0.000) 9.941 4.812 ( 0.000 -5.266 -0.000) 5.266 5.217 ( 0.000 -3.921 -0.000) 3.921 5.663 ( 0.000 -0.821 -0.000) 0.821 5.741 ( 0.000 -2.033 -0.000) 2.033 6.465 ( 0.000 -5.487 -0.000) 5.487 7.596 ( -0.000 7.662 0.000) 7.662 8.559 ( 0.000 -0.202 -0.000) 0.202 9.418 ( -0.000 4.332 0.000) 4.332 10.502 ( 0.000 -2.019 -0.000) 2.019 11.504 ( -0.000 7.020 0.000) 7.020 11.964 ( -0.000 0.979 0.000) 0.979 12.390 ( 0.000 -1.320 -0.000) 1.320 13.689 ( -0.000 0.411 0.000) 0.411 13.899 ( 0.000 -6.426 -0.000) 6.426 13.990 ( 0.000 -2.492 -0.000) 2.492 14.254 ( -0.000 2.517 0.000) 2.517 14.555 ( 0.000 -0.414 -0.000) 0.414 16.062 ( -0.000 2.017 0.000) 2.017 16.560 ( 0.000 -1.336 -0.000) 1.336 24.923 ( -0.000 0.001 0.000) 0.001 25.127 ( 0.000 -0.965 -0.000) 0.965 25.281 ( -0.000 1.032 0.000) 1.032 25.390 ( -0.000 0.828 0.000) 0.828 25.462 ( 0.000 -0.247 -0.000) 0.247 26.026 ( 0.000 -2.440 -0.000) 2.440 27.733 ( -0.000 0.748 0.000) 0.748 27.745 ( -0.000 0.785 0.000) 0.785======================= Grid point 107 (33/171) =======================q-point: ( 0.20 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.438 ( -9.937 8.781 2.985) 13.593 0.548 ( -7.666 11.920 5.966) 15.377 0.968 ( -13.679 13.022 25.863) 32.024 1.515 ( -4.022 -3.098 6.976) 8.628 1.666 ( -6.056 0.852 7.176) 9.428 1.693 ( -3.154 0.721 7.900) 8.537 1.797 ( 0.374 -1.184 -1.227) 1.746 1.873 ( 0.407 -2.361 -0.208) 2.404 1.976 ( 1.395 0.510 2.577) 2.975 2.052 ( -4.614 -0.163 6.282) 7.796 2.587 ( -5.588 -0.169 -2.004) 5.939 2.736 ( 0.151 -2.135 1.939) 2.888 3.989 ( -3.643 -4.259 0.045) 5.605 4.376 ( 17.157 19.250 -3.187) 25.983 4.482 ( 2.764 3.144 2.444) 4.847 4.764 ( -4.280 -4.240 -3.825) 7.137 5.312 ( -17.984 -11.596 -20.245) 29.458 5.601 ( 4.515 -3.680 -1.709) 6.070 5.713 ( -0.237 -2.163 -1.981) 2.943 6.299 ( 7.810 -4.763 -0.792) 9.182 7.697 ( -0.599 9.334 3.145) 9.868 8.563 ( -1.057 -0.724 -0.373) 1.334 9.562 ( -8.259 1.005 -3.042) 8.859 10.456 ( 1.541 -2.879 -2.959) 4.407 11.533 ( -2.722 8.525 -14.788) 17.285 12.022 ( 1.992 2.547 13.150) 13.541 12.307 ( 3.814 -1.806 -8.449) 9.444 13.651 ( 8.718 -3.062 0.172) 9.242 13.828 ( -0.022 -7.418 2.075) 7.703 14.016 ( -1.289 -3.557 5.083) 6.337 14.228 ( -1.194 1.326 -10.088) 10.245 14.479 ( -0.393 -0.236 -13.309) 13.317 16.168 ( -3.113 3.336 9.120) 10.197 16.335 ( 15.405 14.134 3.752) 21.240 24.925 ( 0.973 0.173 2.543) 2.728 25.113 ( 0.478 -1.274 0.374) 1.412 25.307 ( 0.125 1.229 2.557) 2.840 25.442 ( -2.097 0.764 1.434) 2.653 25.797 ( -15.243 -15.489 16.797) 27.466 26.006 ( -3.981 -6.189 5.656) 9.281 27.689 ( 3.873 1.834 -4.688) 6.351 27.777 ( -1.104 0.362 2.615) 2.862======================= Grid point 108 (34/171) =======================q-point: ( 0.30 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( -8.697 6.171 5.848) 12.162 0.802 ( -6.695 10.132 4.245) 12.865 1.370 ( -5.888 4.900 12.848) 14.958 1.541 ( 0.367 -2.029 1.710) 2.679 1.680 ( 2.417 -1.549 -3.656) 4.648 1.759 ( 1.952 -0.918 -0.040) 2.158 1.814 ( 0.063 -0.409 -0.747) 0.854 1.999 ( -7.029 1.377 13.519) 15.299 2.023 ( -0.560 2.341 5.084) 5.626 2.376 ( -17.121 -0.357 27.207) 32.148 2.627 ( -3.841 -1.033 -3.294) 5.164 2.818 ( -7.792 -0.173 9.320) 12.150 4.019 ( -4.257 -2.639 -1.234) 5.158 4.291 ( 13.229 18.013 -4.146) 22.730 4.434 ( 4.283 -1.064 -2.300) 4.976 4.828 ( -7.092 0.138 0.987) 7.161 5.214 ( -2.807 -6.916 -15.248) 16.977 5.466 ( 1.079 -5.962 -6.560) 8.929 5.655 ( 1.705 -2.583 -2.526) 3.996 6.173 ( 5.684 -7.243 8.165) 12.306 7.823 ( -0.422 8.768 3.684) 9.520 8.568 ( -1.564 -1.777 -0.506) 2.421 9.592 ( 1.201 3.191 -6.635) 7.459 10.345 ( 3.444 -3.092 -6.933) 8.336 11.496 ( -3.358 6.815 -19.052) 20.510 12.108 ( 6.128 -2.127 -12.432) 14.023 12.175 ( 1.011 5.502 16.889) 17.791 13.422 ( 9.540 -3.445 -9.497) 13.896 13.759 ( 2.976 -8.458 3.499) 9.625 13.980 ( 5.176 2.342 -5.802) 8.121 14.207 ( -6.274 -4.353 -2.658) 8.086 14.399 ( -3.716 0.533 -11.119) 11.735 16.308 ( 2.621 8.804 9.863) 13.478 16.440 ( -1.258 5.067 14.561) 15.469 24.947 ( 0.856 0.461 5.085) 5.177 25.100 ( 0.328 -1.346 1.246) 1.863 25.326 ( 1.733 0.760 2.129) 2.848 25.504 ( -4.818 0.851 -1.664) 5.168 25.816 ( 4.763 -4.644 6.047) 8.990 26.195 ( -15.224 -14.253 14.006) 25.121 27.581 ( 5.967 2.835 -6.985) 9.614 27.814 ( -1.343 0.185 0.440) 1.425======================= Grid point 109 (35/171) =======================q-point: ( 0.40 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.913 ( -4.802 3.868 9.027) 10.932 1.020 ( -5.777 5.923 5.967) 10.201 1.470 ( -0.732 -1.077 -5.283) 5.442 1.559 ( -1.722 1.850 -2.751) 3.736 1.604 ( 3.179 -1.003 2.282) 4.040 1.720 ( 0.876 0.980 -1.432) 1.944 1.783 ( 1.649 -1.133 0.343) 2.030 2.112 ( -2.149 1.327 6.257) 6.748 2.181 ( -2.788 1.574 7.919) 8.542 2.532 ( 0.699 -2.621 -2.560) 3.730 3.005 ( -18.666 2.017 26.896) 32.800 3.108 ( -12.540 2.071 16.084) 20.500 4.033 ( -2.169 -1.907 -2.743) 3.984 4.203 ( 11.073 13.032 -6.183) 18.184 4.307 ( 5.121 -1.791 -7.280) 9.079 4.932 ( -4.056 -0.404 -0.666) 4.130 5.063 ( 1.239 -3.808 -7.165) 8.208 5.365 ( -1.572 -5.666 -4.162) 7.204 5.623 ( -0.192 0.195 3.761) 3.771 6.115 ( 3.418 -7.078 9.030) 11.971 7.922 ( 0.358 6.480 1.868) 6.754 8.568 ( -1.505 -2.373 -0.445) 2.845 9.477 ( 7.662 4.152 -10.406) 13.573 10.180 ( 4.853 -2.472 -8.967) 10.491 11.449 ( -2.885 4.625 -13.800) 14.837 11.881 ( 5.677 -2.629 -11.264) 12.885 12.385 ( -1.068 7.475 15.643) 17.370 13.159 ( 7.904 -2.664 -12.295) 14.858 13.649 ( 3.972 -10.587 4.805) 12.286 13.865 ( 2.597 4.826 -11.356) 12.610 14.260 ( -4.541 -5.080 3.960) 7.881 14.395 ( -5.165 1.416 -8.481) 10.031 16.426 ( 2.260 6.234 8.455) 10.745 16.621 ( -1.953 2.141 11.433) 11.794 24.995 ( 0.223 0.452 6.531) 6.551 25.101 ( 0.042 -1.185 2.223) 2.519 25.296 ( 3.327 0.146 -0.869) 3.442 25.568 ( -4.366 0.718 -2.004) 4.857 25.768 ( 3.429 -2.380 5.674) 7.044 26.417 ( -13.581 -11.038 12.952) 21.773 27.441 ( 7.440 4.081 -8.202) 11.802 27.829 ( -1.182 -0.271 -1.346) 1.812======================= Grid point 110 (36/171) =======================q-point: ( 0.50 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -1.595 2.198 11.546) 11.861 1.183 ( -2.646 1.877 7.266) 7.957 1.384 ( -0.541 -0.694 -12.652) 12.683 1.494 ( 3.059 -0.335 -4.680) 5.601 1.605 ( -0.904 -0.474 -0.276) 1.057 1.708 ( 1.521 -0.133 -0.982) 1.815 1.781 ( -0.021 1.850 1.637) 2.471 2.196 ( -2.225 -0.280 2.325) 3.230 2.298 ( -1.152 2.321 9.253) 9.609 2.461 ( 1.337 -1.971 -4.432) 5.032 3.442 ( -9.706 2.667 15.746) 18.688 3.492 ( -13.013 2.350 17.619) 22.029 3.975 ( 5.976 -0.234 -5.898) 8.400 4.081 ( 6.133 3.947 -10.249) 12.580 4.125 ( 3.812 -2.509 -7.071) 8.416 4.937 ( -0.533 -0.910 -1.231) 1.621 4.995 ( -0.149 -1.831 -1.759) 2.543 5.339 ( -2.238 -2.272 -0.112) 3.192 5.729 ( -2.979 2.317 7.588) 8.475 6.095 ( 1.170 -4.501 7.046) 8.442 7.957 ( 0.941 2.554 -1.542) 3.128 8.569 ( -1.122 -1.001 0.206) 1.518 9.290 ( 7.965 3.105 -9.120) 12.500 10.019 ( 4.194 -1.524 -5.456) 7.048 11.429 ( -1.411 2.590 -6.710) 7.330 11.712 ( 3.017 -2.275 -5.269) 6.484 12.607 ( -2.428 7.226 11.853) 14.093 12.916 ( 6.285 -1.900 -12.567) 14.178 13.544 ( 2.974 -10.926 7.318) 13.483 13.803 ( -0.564 5.059 -9.668) 10.926 14.310 ( -1.971 -3.787 5.123) 6.669 14.423 ( -5.513 2.176 -8.244) 10.154 16.487 ( 2.560 2.848 3.943) 5.496 16.730 ( -0.154 0.716 6.473) 6.514 25.059 ( -0.818 0.172 6.028) 6.086 25.114 ( 0.275 -0.709 3.113) 3.204 25.223 ( 3.055 -0.138 -3.795) 4.873 25.613 ( -1.234 0.651 0.638) 1.534 25.761 ( 0.126 -1.275 2.030) 2.400 26.645 ( -12.820 -7.430 11.903) 19.006 27.289 ( 8.312 5.932 -8.800) 13.480 27.823 ( -1.085 -1.232 -2.125) 2.685======================= Grid point 111 (37/171) =======================q-point: (-0.40 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.155 ( 4.141 0.325 -0.329) 4.167 1.237 ( 4.608 -1.715 -0.420) 4.935 1.302 ( -1.989 0.629 2.743) 3.446 1.444 ( -1.181 -0.097 0.501) 1.287 1.615 ( -3.823 0.151 -5.790) 6.940 1.665 ( 2.395 -2.038 1.389) 3.438 1.812 ( 0.088 2.559 0.192) 2.567 2.225 ( -0.658 -0.240 0.358) 0.787 2.343 ( 2.029 -0.824 -6.382) 6.747 2.443 ( -0.129 1.500 8.870) 8.997 3.586 ( 3.403 0.473 -3.822) 5.139 3.687 ( 7.639 -2.983 -7.687) 11.240 3.857 ( -6.443 2.497 4.363) 8.172 3.932 ( 1.561 -1.518 -4.240) 4.767 4.091 ( -2.274 -0.572 1.783) 2.945 4.943 ( 0.602 0.857 3.040) 3.215 4.992 ( -2.323 -0.982 -0.683) 2.613 5.391 ( -2.978 1.933 2.743) 4.486 5.793 ( 3.669 0.626 1.736) 4.107 6.136 ( -3.271 -0.083 3.564) 4.838 7.917 ( 0.973 -1.323 -4.481) 4.772 8.596 ( -0.775 1.375 1.997) 2.546 9.175 ( 2.593 1.028 -0.704) 2.876 9.954 ( 1.013 -0.901 3.467) 3.722 11.401 ( 1.972 0.022 -1.530) 2.497 11.672 ( -1.037 -0.369 2.452) 2.688 12.639 ( 3.854 -2.401 -13.598) 14.336 12.863 ( -2.336 6.501 9.244) 11.540 13.498 ( 0.494 -9.635 10.146) 14.001 13.799 ( -2.452 4.638 -7.014) 8.759 14.341 ( -0.054 -2.164 4.668) 5.145 14.453 ( -4.876 2.771 -8.700) 10.351 16.466 ( 3.249 -0.289 -1.336) 3.525 16.754 ( 1.774 -0.240 1.418) 2.284 25.110 ( 0.024 0.099 -0.571) 0.580 25.135 ( 0.501 -0.452 0.953) 1.168 25.155 ( -0.210 -0.008 1.233) 1.250 25.628 ( 2.911 0.599 4.384) 5.296 25.768 ( -3.153 -0.708 -3.816) 5.000 26.883 ( -11.863 -4.463 10.569) 16.503 27.145 ( 8.674 8.024 -8.331) 14.458 27.806 ( -1.519 -2.265 -2.470) 3.679======================= Grid point 112 (38/171) =======================q-point: (-0.30 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( 8.433 -1.998 -7.459) 11.434 1.056 ( 8.940 -2.950 -6.858) 11.647 1.439 ( -1.761 1.393 13.503) 13.689 1.505 ( -2.418 0.823 2.407) 3.510 1.605 ( -1.142 -1.217 -4.624) 4.916 1.648 ( -2.758 -0.981 -1.296) 3.201 1.830 ( 0.136 1.953 -0.355) 1.990 2.207 ( 3.495 0.156 -6.584) 7.456 2.227 ( 1.204 -0.838 -4.153) 4.405 2.537 ( -0.175 1.428 7.550) 7.686 3.313 ( 11.749 -3.037 -13.624) 18.245 3.433 ( 11.847 -0.720 -18.229) 21.752 3.798 ( -2.693 -5.677 -8.187) 10.320 4.074 ( -2.638 1.406 6.426) 7.087 4.192 ( -4.435 0.971 7.824) 9.046 4.968 ( 2.205 0.510 3.689) 4.328 5.044 ( -4.979 0.615 1.069) 5.129 5.500 ( -1.137 4.289 6.656) 7.999 5.691 ( 5.891 -0.092 -3.085) 6.650 6.228 ( -5.023 2.134 -0.936) 5.537 7.838 ( 1.231 -2.558 -5.115) 5.850 8.634 ( 0.662 1.606 1.892) 2.568 9.229 ( -3.788 -0.150 9.098) 9.856 10.035 ( -2.792 -0.418 12.152) 12.476 11.357 ( 4.930 -1.072 5.554) 7.503 11.761 ( -3.878 0.383 7.901) 8.810 12.420 ( 2.864 -2.562 -16.674) 17.111 13.066 ( -5.273 5.242 9.574) 12.122 13.530 ( -2.403 -7.461 11.462) 13.886 13.834 ( -3.266 3.602 -4.096) 6.357 14.357 ( 1.223 -0.798 4.201) 4.448 14.467 ( -3.518 3.148 -9.154) 10.299 16.355 ( 4.580 -3.113 -6.920) 8.863 16.696 ( 3.666 -0.727 -3.881) 5.388 25.048 ( 0.669 -0.293 -7.132) 7.169 25.130 ( 0.905 0.148 1.187) 1.500 25.227 ( -3.291 0.097 3.378) 4.717 25.609 ( 5.859 0.235 5.750) 8.213 25.781 ( -5.706 -0.039 -7.416) 9.357 27.009 ( 8.542 9.152 -5.827) 13.808 27.123 ( -9.612 -2.296 8.533) 13.056 27.790 ( -2.882 -2.511 -3.516) 5.193======================= Grid point 113 (39/171) =======================q-point: (-0.20 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 10.685 -3.755 -9.062) 14.505 0.817 ( 12.313 -1.512 -4.826) 13.311 1.502 ( 5.990 0.252 -0.424) 6.011 1.570 ( -3.933 1.047 -2.303) 4.676 1.620 ( -3.711 0.029 6.634) 7.601 1.701 ( -5.063 -0.393 0.411) 5.095 1.839 ( -0.114 1.062 -0.881) 1.384 2.067 ( 3.439 -0.398 -8.796) 9.452 2.152 ( 3.805 -0.165 -7.002) 7.971 2.608 ( -0.451 0.855 5.073) 5.164 2.969 ( 18.398 0.355 -27.041) 32.708 3.015 ( 10.722 -2.069 -12.164) 16.347 3.745 ( -4.789 -6.205 -4.428) 9.003 4.120 ( 1.254 1.205 1.222) 2.126 4.336 ( -3.990 0.060 7.127) 8.168 4.917 ( 6.278 -0.319 0.162) 6.288 5.180 ( -7.352 1.246 5.536) 9.287 5.562 ( 5.807 1.928 10.676) 12.305 5.682 ( -2.937 2.097 3.947) 5.348 6.303 ( -5.003 2.039 -4.636) 7.119 7.741 ( 2.685 -1.964 -5.157) 6.137 8.632 ( 2.257 0.674 0.728) 2.466 9.413 ( -5.514 0.091 13.622) 14.696 10.215 ( -4.213 -0.076 14.486) 15.086 11.337 ( 7.170 -1.056 13.816) 15.601 11.929 ( -6.040 0.231 11.735) 13.200 12.225 ( 0.182 -1.365 -17.633) 17.687 13.297 ( -9.114 3.411 8.791) 13.115 13.627 ( -4.811 -4.961 10.277) 12.385 13.892 ( -3.877 2.108 -1.421) 4.636 14.365 ( 2.444 -0.116 5.422) 5.949 14.460 ( -2.391 3.028 -9.103) 9.886 16.141 ( 6.932 -4.904 -12.833) 15.388 16.559 ( 5.526 -0.659 -9.410) 10.932 24.979 ( -0.285 -0.218 -6.870) 6.879 25.126 ( 0.600 0.205 0.393) 0.746 25.295 ( -2.807 0.028 0.303) 2.824 25.556 ( 6.321 -0.050 3.933) 7.444 25.821 ( -7.512 0.430 -6.748) 10.107 26.903 ( 10.115 8.637 -3.474) 13.747 27.323 ( -8.531 -1.827 7.987) 11.828 27.789 ( -4.950 -1.372 -6.316) 8.141======================= Grid point 114 (40/171) =======================q-point: (-0.10 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.469 ( 11.504 -0.000 -8.612) 14.370 0.561 ( 15.102 -0.000 -3.289) 15.456 1.310 ( 11.498 -0.000 -16.097) 19.782 1.586 ( -3.728 -0.000 -6.445) 7.446 1.737 ( 0.518 0.000 9.904) 9.918 1.779 ( -4.900 -0.000 -3.001) 5.746 1.829 ( 1.030 -0.000 -1.432) 1.764 1.962 ( 1.286 -0.000 -4.768) 4.938 1.982 ( 5.886 -0.000 -11.269) 12.713 2.416 ( 17.700 -0.000 -26.248) 31.658 2.647 ( 2.883 0.000 4.909) 5.693 2.799 ( 4.848 -0.000 -6.883) 8.419 3.757 ( -4.289 -0.000 -1.316) 4.487 4.108 ( 1.207 -0.000 -0.194) 1.222 4.424 ( -2.315 0.000 0.871) 2.474 4.827 ( 6.604 0.000 5.502) 8.596 5.374 ( -7.624 0.000 9.592) 12.253 5.620 ( 2.313 0.000 13.606) 13.801 5.781 ( 4.093 0.000 15.655) 16.181 6.325 ( -3.343 -0.000 -7.866) 8.547 7.637 ( 3.614 -0.000 -4.446) 5.730 8.600 ( 2.458 -0.000 0.317) 2.478 9.599 ( -0.508 0.000 15.879) 15.887 10.386 ( -3.043 0.000 10.590) 11.019 11.361 ( 7.430 0.000 18.339) 19.788 12.082 ( -1.982 -0.000 -16.510) 16.629 12.143 ( -6.702 0.000 12.699) 14.359 13.561 ( -14.437 0.000 4.391) 15.090 13.762 ( -5.493 0.000 7.808) 9.547 13.962 ( -5.246 -0.000 -1.532) 5.465 14.385 ( 3.467 0.000 10.674) 11.223 14.438 ( -2.365 -0.000 -8.024) 8.365 15.840 ( 9.386 -0.000 -18.199) 20.477 16.357 ( 6.647 -0.000 -13.378) 14.938 24.936 ( -1.147 -0.000 -5.054) 5.183 25.125 ( -0.168 -0.000 -0.067) 0.181 25.313 ( -0.710 -0.000 -2.350) 2.454 25.490 ( 4.855 0.000 1.057) 4.969 25.903 ( -8.639 -0.000 -4.223) 9.616 26.783 ( 9.570 -0.000 -0.329) 9.576 27.494 ( -6.967 0.000 5.874) 9.113 27.800 ( -6.558 -0.000 -10.833) 12.664======================= Grid point 115 (41/171) =======================q-point: ( 0.00 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.379 ( 12.064 -0.000 0.000) 12.064 0.685 ( 18.328 -0.000 0.000) 18.328 1.040 ( 28.421 -0.000 0.000) 28.421 1.591 ( 4.529 -0.000 0.000) 4.529 1.649 ( 0.310 -0.000 0.000) 0.310 1.822 ( 0.930 -0.000 0.000) 0.930 1.906 ( 0.151 -0.000 0.000) 0.151 1.915 ( -0.893 0.000 -0.000) 0.893 1.967 ( 15.938 -0.000 0.000) 15.938 2.062 ( 2.134 -0.000 0.000) 2.134 2.704 ( -3.689 0.000 -0.000) 3.689 2.731 ( 10.450 -0.000 0.000) 10.450 3.745 ( -5.477 0.000 -0.000) 5.477 4.108 ( 1.758 -0.000 0.000) 1.758 4.411 ( -0.301 0.000 -0.000) 0.301 4.912 ( 3.369 -0.000 0.000) 3.369 5.466 ( -12.511 0.000 -0.000) 12.511 5.721 ( -1.978 0.000 -0.000) 1.978 5.997 ( -12.019 0.000 -0.000) 12.019 6.247 ( 0.548 -0.000 0.000) 0.548 7.615 ( 5.157 -0.000 0.000) 5.157 8.602 ( 2.355 -0.000 0.000) 2.355 9.814 ( -7.622 0.000 -0.000) 7.622 10.482 ( -2.465 0.000 -0.000) 2.465 11.621 ( 10.688 -0.000 0.000) 10.688 11.861 ( -6.506 0.000 -0.000) 6.506 12.260 ( -8.998 0.000 -0.000) 8.998 13.529 ( -8.661 0.000 -0.000) 8.661 13.861 ( -7.344 0.000 -0.000) 7.344 13.905 ( -3.484 0.000 -0.000) 3.484 14.360 ( -2.609 0.000 -0.000) 2.609 14.519 ( -2.454 0.000 -0.000) 2.454 15.652 ( 15.848 -0.000 0.000) 15.848 16.217 ( 10.284 -0.000 0.000) 10.284 24.890 ( -1.253 0.000 -0.000) 1.253 25.128 ( -0.238 0.000 -0.000) 0.238 25.291 ( 0.734 -0.000 0.000) 0.734 25.523 ( 8.806 -0.000 0.000) 8.806 25.866 ( -8.797 0.000 -0.000) 8.797 26.781 ( 9.075 -0.000 0.000) 9.075 27.577 ( -2.254 0.000 -0.000) 2.254 27.610 ( -7.303 0.000 -0.000) 7.303======================= Grid point 117 (42/171) =======================q-point: ( 0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.407 ( -0.000 14.624 8.562) 16.946 0.477 ( 0.000 5.799 17.655) 18.583 1.120 ( 0.000 6.424 50.909) 51.313 1.578 ( 0.000 0.376 14.083) 14.089 1.706 ( 0.000 0.446 9.774) 9.784 1.792 ( 0.000 -1.160 -2.860) 3.086 1.818 ( 0.000 0.200 25.946) 25.947 1.883 ( 0.000 -2.531 -2.890) 3.842 2.004 ( -0.000 2.943 3.395) 4.493 2.069 ( 0.000 -2.302 8.222) 8.538 2.514 ( -0.000 0.393 -3.473) 3.495 2.774 ( 0.000 -1.520 2.882) 3.258 4.017 ( 0.000 -6.162 1.189) 6.275 4.398 ( -0.000 28.874 -31.823) 42.970 4.448 ( -0.000 7.364 -1.577) 7.531 4.568 ( -0.000 5.534 7.586) 9.390 4.960 ( 0.000 -7.848 -10.876) 13.412 5.556 ( -0.000 3.978 -16.541) 17.013 5.668 ( -0.000 -1.563 -7.530) 7.690 6.393 ( 0.000 -1.559 7.141) 7.310 7.668 ( -0.000 6.883 7.774) 10.384 8.553 ( 0.000 -0.361 -0.779) 0.859 9.434 ( -0.000 4.221 1.526) 4.488 10.436 ( -0.000 -0.709 -8.769) 8.798 11.307 ( -0.000 5.470 -17.390) 18.230 12.138 ( 0.000 2.053 14.918) 15.059 12.237 ( -0.000 -1.395 -16.679) 16.737 13.801 ( 0.000 -5.606 -8.615) 10.278 14.001 ( 0.000 -18.621 11.595) 21.936 14.029 ( -0.000 0.408 -13.737) 13.744 14.106 ( 0.000 -1.059 1.924) 2.196 14.319 ( -0.000 -2.816 -16.233) 16.475 16.255 ( 0.000 2.046 18.720) 18.831 16.272 ( -0.000 28.571 -5.255) 29.051 24.962 ( 0.000 -0.067 4.312) 4.313 25.145 ( 0.000 -1.164 2.379) 2.649 25.333 ( 0.000 1.261 5.604) 5.744 25.495 ( 0.000 -0.163 3.651) 3.654 26.066 ( 0.000 -2.523 4.523) 5.179 26.106 ( 0.000 -31.729 32.916) 45.719 27.674 ( -0.000 0.839 -6.558) 6.612 27.817 ( 0.000 -8.575 3.295) 9.186======================= Grid point 118 (43/171) =======================q-point: ( 0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( -4.086 13.157 9.824) 16.921 0.687 ( -2.230 5.771 15.019) 16.243 1.482 ( 4.527 2.755 26.336) 26.864 1.651 ( 5.163 -2.367 4.527) 7.263 1.754 ( 2.356 -0.821 2.432) 3.484 1.811 ( -0.406 -1.994 -0.163) 2.042 1.872 ( 2.761 0.898 11.176) 11.547 2.007 ( -2.655 0.911 10.618) 10.983 2.087 ( 2.304 1.754 15.616) 15.883 2.345 ( -18.207 -0.169 28.707) 33.995 2.536 ( -4.644 0.152 -2.682) 5.365 2.822 ( -3.220 -0.859 9.387) 9.961 3.995 ( -2.133 -4.051 0.683) 4.629 4.256 ( 10.943 19.023 -10.413) 24.291 4.474 ( 3.929 1.994 -4.856) 6.557 4.738 ( -5.397 2.344 3.521) 6.857 4.958 ( -16.280 -7.136 -16.900) 24.527 5.411 ( 1.147 0.644 -16.964) 17.015 5.612 ( -2.432 -0.471 -6.570) 7.021 6.404 ( 4.471 -5.534 10.999) 13.100 7.806 ( 0.833 7.712 8.727) 11.676 8.548 ( -1.342 -0.980 -1.300) 2.110 9.508 ( -1.062 4.475 -2.575) 5.271 10.318 ( 1.841 -0.765 -12.824) 12.978 11.215 ( -2.345 6.500 -19.124) 20.334 12.033 ( 1.612 -1.873 -21.470) 21.612 12.296 ( 0.753 3.624 16.295) 16.710 13.536 ( 10.590 -6.069 -12.664) 17.589 13.861 ( 2.284 -1.503 -4.049) 4.886 13.918 ( 2.057 -0.999 -18.786) 18.924 14.162 ( -6.860 -7.014 5.097) 11.056 14.244 ( -5.785 -5.661 -4.164) 9.103 16.398 ( 6.071 12.258 14.017) 19.586 16.507 ( -0.994 7.969 15.519) 17.474 25.004 ( 0.313 0.068 6.001) 6.010 25.142 ( 1.736 -1.059 2.882) 3.527 25.389 ( 2.324 1.302 6.562) 7.082 25.503 ( 2.162 0.176 5.269) 5.698 26.006 ( 5.753 -5.585 7.631) 11.069 26.250 ( -13.022 -17.313 15.462) 26.616 27.570 ( 4.623 1.961 -8.765) 10.101 27.790 ( -2.966 -4.382 -2.126) 5.703======================= Grid point 119 (44/171) =======================q-point: ( 0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( -4.501 6.820 8.175) 11.558 0.955 ( -4.666 8.252 16.487) 19.018 1.524 ( 5.660 -4.140 -1.777) 7.234 1.584 ( 6.495 2.794 9.115) 11.536 1.719 ( 3.044 0.394 1.481) 3.408 1.804 ( 1.834 -3.355 6.928) 7.913 1.877 ( 7.415 -0.519 11.668) 13.835 2.140 ( 1.061 1.170 8.073) 8.226 2.180 ( -2.861 2.337 6.711) 7.661 2.538 ( 0.471 -1.162 -2.588) 2.876 2.958 ( -18.887 1.559 32.738) 37.827 3.066 ( -9.542 2.222 18.658) 21.074 4.005 ( -2.521 -2.784 -0.339) 3.771 4.178 ( 8.751 12.705 -7.938) 17.349 4.350 ( 6.291 -0.029 -5.821) 8.571 4.851 ( -5.174 0.047 -1.064) 5.282 4.943 ( -8.599 -5.351 -15.568) 18.572 5.277 ( -3.078 -1.812 -13.650) 14.110 5.631 ( -2.380 1.168 2.638) 3.740 6.358 ( 6.748 -6.135 11.284) 14.509 7.922 ( 1.905 6.113 7.186) 9.625 8.548 ( -1.963 -1.706 -1.894) 3.217 9.464 ( 6.306 4.714 -7.411) 10.812 10.152 ( 3.041 -0.046 -14.163) 14.486 11.183 ( -6.576 5.707 -16.065) 18.273 11.805 ( 0.377 -2.052 -20.863) 20.968 12.469 ( 0.527 4.885 16.100) 16.833 13.218 ( 9.226 -4.397 -12.556) 16.190 13.717 ( 1.953 3.059 -18.221) 18.579 13.796 ( 0.558 -5.451 -0.776) 5.534 14.221 ( -5.829 -2.561 -4.358) 7.715 14.281 ( -7.057 -8.337 3.788) 11.561 16.528 ( 6.093 8.680 13.517) 17.181 16.703 ( 0.788 4.744 14.299) 15.086 25.061 ( 0.187 0.215 7.205) 7.211 25.132 ( 1.506 -0.388 2.312) 2.787 25.377 ( 5.932 0.231 3.493) 6.888 25.535 ( 0.615 1.124 4.411) 4.594 25.943 ( 5.638 -3.714 8.721) 11.029 26.431 ( -13.149 -13.007 11.569) 21.815 27.431 ( 5.784 3.133 -9.811) 11.812 27.778 ( -3.500 -2.656 -4.757) 6.476======================= Grid point 120 (45/171) =======================q-point: ( 0.50 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -4.668 3.816 7.279) 9.452 1.230 ( -2.643 5.979 16.525) 17.771 1.368 ( 6.152 -2.542 -4.187) 7.864 1.538 ( 5.650 0.246 0.652) 5.692 1.708 ( 2.767 1.703 2.747) 4.255 1.804 ( 3.591 -1.549 7.804) 8.729 1.862 ( 9.271 -1.875 16.279) 18.827 2.166 ( -2.090 -0.150 -1.596) 2.634 2.327 ( -1.562 2.763 8.699) 9.260 2.481 ( 2.787 -0.282 -0.814) 2.917 3.410 ( -9.130 4.569 18.295) 20.951 3.459 ( -10.925 1.379 21.056) 23.761 3.994 ( 0.300 -1.771 -4.162) 4.533 4.067 ( 6.910 3.911 -6.042) 9.977 4.179 ( 7.633 -1.197 -5.923) 9.736 4.877 ( -4.599 -2.136 -5.771) 7.682 4.892 ( -5.865 -1.166 -12.626) 13.970 5.233 ( -6.716 -2.046 -10.742) 12.833 5.753 ( -1.770 3.470 10.770) 11.453 6.289 ( 7.387 -4.480 9.362) 12.739 7.976 ( 2.866 2.359 3.995) 5.454 8.547 ( -2.002 -1.108 -1.826) 2.927 9.311 ( 8.340 4.009 -7.223) 11.739 10.005 ( 2.097 1.207 -9.323) 9.631 11.232 ( -8.824 3.704 -11.142) 14.688 11.637 ( -2.590 -1.639 -16.297) 16.583 12.647 ( -0.129 4.721 13.543) 14.343 12.951 ( 7.783 -3.026 -9.849) 12.912 13.598 ( -1.356 3.183 -13.808) 14.235 13.735 ( 0.543 -5.998 0.976) 6.101 14.240 ( -5.954 -1.000 -7.477) 9.611 14.344 ( -5.626 -7.205 3.831) 9.912 16.595 ( 7.056 5.000 9.878) 13.129 16.816 ( 3.230 3.093 10.151) 11.092 25.117 ( 1.039 -0.170 5.795) 5.890 25.137 ( -0.042 0.642 2.695) 2.770 25.284 ( 7.279 -0.200 -0.404) 7.293 25.571 ( -0.130 1.306 1.831) 2.252 25.918 ( 5.697 -2.258 11.225) 12.789 26.623 ( -12.949 -9.755 10.153) 19.129 27.277 ( 7.197 4.559 -10.339) 13.396 27.766 ( -3.903 -2.374 -5.612) 7.236======================= Grid point 121 (46/171) =======================q-point: ( 0.60 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( -0.505 0.548 2.695) 2.796 1.225 ( 5.256 -0.391 -4.753) 7.097 1.395 ( -1.264 0.271 5.069) 5.231 1.503 ( 5.009 2.869 13.602) 14.776 1.705 ( 1.534 0.071 2.441) 2.884 1.800 ( 7.412 -0.049 11.698) 13.849 1.840 ( 7.739 -1.754 13.167) 15.374 2.184 ( -3.058 -0.055 -3.402) 4.574 2.332 ( 2.907 -0.600 -5.744) 6.466 2.516 ( 1.628 3.334 10.541) 11.175 3.617 ( 2.731 1.001 1.871) 3.458 3.728 ( -4.279 1.927 6.429) 7.960 3.826 ( 7.518 -2.012 -11.180) 13.622 3.950 ( 1.747 -1.912 0.603) 2.659 4.106 ( -0.973 -1.263 5.177) 5.417 4.867 ( -7.633 -2.389 -11.429) 13.950 4.909 ( -3.492 2.424 -2.354) 4.859 5.249 ( -8.177 0.477 -9.756) 12.739 5.876 ( 3.122 3.555 8.148) 9.422 6.216 ( 6.327 -1.347 5.422) 8.441 7.949 ( 2.976 -2.096 0.658) 3.699 8.573 ( -2.183 1.154 0.592) 2.540 9.207 ( 3.686 2.317 0.223) 4.359 9.968 ( -0.950 1.878 0.229) 2.117 11.302 ( -8.106 0.748 -8.146) 11.516 11.586 ( -6.428 0.172 -8.899) 10.979 12.655 ( 6.575 -3.822 -7.563) 10.725 12.876 ( -0.022 5.127 9.655) 10.932 13.574 ( -4.163 2.802 -8.081) 9.513 13.691 ( -0.523 -5.442 1.613) 5.700 14.259 ( -6.273 0.336 -9.040) 11.008 14.385 ( -3.607 -5.578 2.559) 7.118 16.575 ( 8.292 1.710 5.538) 10.117 16.840 ( 5.595 1.800 5.722) 8.203 25.132 ( 0.719 1.085 1.257) 1.809 25.151 ( 5.486 -0.538 -1.869) 5.821 25.190 ( 0.553 0.235 3.781) 3.828 25.595 ( -1.279 1.144 -1.202) 2.095 25.908 ( 7.723 -1.273 12.858) 15.054 26.829 ( -12.639 -6.781 8.691) 16.771 27.119 ( 7.900 7.114 -10.399) 14.871 27.753 ( -4.121 -3.466 -5.492) 7.691======================= Grid point 122 (47/171) =======================q-point: (-0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.102 ( 7.720 -1.588 -3.134) 8.482 1.124 ( 4.679 -0.967 -4.868) 6.821 1.473 ( -4.370 -0.938 3.291) 5.551 1.595 ( 5.427 2.999 13.636) 14.979 1.712 ( 2.024 -1.101 6.820) 7.199 1.781 ( 11.670 -0.793 20.287) 23.418 1.832 ( 3.328 0.720 5.343) 6.336 2.185 ( -0.320 -0.269 -7.150) 7.162 2.203 ( 3.340 -0.054 -6.126) 6.977 2.593 ( 2.204 2.508 6.486) 7.294 3.424 ( 12.397 -1.867 -10.740) 16.508 3.495 ( 13.797 -1.809 -14.394) 20.021 3.736 ( -3.306 -6.721 -7.293) 10.454 4.086 ( -3.831 0.981 9.552) 10.338 4.203 ( -2.718 0.902 9.407) 9.833 4.886 ( -9.667 -0.882 -9.531) 13.604 4.978 ( -2.307 2.050 1.032) 3.254 5.333 ( -10.602 3.798 -8.146) 13.899 5.825 ( 10.942 1.999 1.409) 11.212 6.195 ( 1.819 2.379 2.801) 4.100 7.877 ( 2.597 -3.803 -0.171) 4.609 8.629 ( -1.055 2.060 1.450) 2.731 9.256 ( -2.617 0.894 8.831) 9.254 10.068 ( -4.099 1.875 8.423) 9.553 11.363 ( -7.167 -0.968 -3.121) 7.877 11.673 ( -9.500 1.245 -2.038) 9.795 12.416 ( 8.288 -4.113 -9.990) 13.617 13.035 ( -3.219 4.250 8.885) 10.362 13.626 ( -5.472 -0.960 -0.033) 5.556 13.685 ( -2.722 -1.424 -0.989) 3.228 14.279 ( -5.856 1.393 -9.526) 11.268 14.402 ( -2.084 -3.769 1.695) 4.629 16.467 ( 9.753 -1.312 1.138) 9.906 16.778 ( 7.899 0.727 1.195) 8.022 25.036 ( 4.246 -0.331 -4.349) 6.087 25.139 ( 0.877 1.691 -0.102) 1.908 25.232 ( -0.877 -0.233 3.830) 3.936 25.615 ( -2.812 1.032 -3.417) 4.544 25.872 ( 10.341 -0.987 12.611) 16.339 26.971 ( 5.487 9.178 -7.926) 13.310 27.058 ( -9.405 -2.547 5.715) 11.296 27.729 ( -4.352 -5.345 -5.626) 8.897======================= Grid point 123 (48/171) =======================q-point: (-0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 9.636 -5.763 -6.069) 12.763 1.016 ( 8.571 0.932 1.216) 8.707 1.541 ( -1.691 -1.393 4.037) 4.593 1.597 ( 7.306 2.068 3.457) 8.343 1.724 ( 3.308 -1.654 7.627) 8.477 1.813 ( 5.787 2.894 11.943) 13.582 1.849 ( 5.056 -0.137 14.768) 15.610 2.042 ( 3.033 -1.019 -8.952) 9.506 2.139 ( 2.930 0.197 -7.571) 8.121 2.612 ( 0.396 1.198 -0.216) 1.280 3.037 ( 19.386 -0.591 -23.894) 30.774 3.143 ( 13.262 -1.593 -5.950) 14.623 3.687 ( -6.799 -9.448 -4.245) 12.390 4.154 ( 1.652 0.782 2.870) 3.403 4.339 ( -2.885 0.594 6.729) 7.345 4.998 ( -0.627 0.583 0.896) 1.239 5.012 ( -10.403 0.181 -2.644) 10.735 5.505 ( -12.472 5.858 -3.981) 14.343 5.695 ( 7.239 1.783 1.694) 7.645 6.226 ( 0.310 3.546 0.515) 3.596 7.796 ( 3.601 -3.126 -0.254) 4.775 8.654 ( 1.076 1.486 0.513) 1.905 9.431 ( -6.119 0.744 11.467) 13.019 10.246 ( -5.067 1.626 10.102) 11.418 11.468 ( -5.778 -0.976 6.208) 8.537 11.850 ( -11.419 0.825 2.619) 11.745 12.160 ( 7.741 -3.194 -11.667) 14.361 13.208 ( -6.527 2.612 5.924) 9.193 13.692 ( -4.491 -7.431 6.107) 10.615 13.748 ( -5.991 4.688 -4.395) 8.786 14.297 ( -4.708 1.985 -8.346) 9.786 14.418 ( -1.530 -1.923 2.138) 3.257 16.266 ( 11.866 -4.187 -3.076) 12.953 16.632 ( 10.147 -0.031 -3.087) 10.606 24.944 ( 2.176 -0.301 -4.259) 4.793 25.134 ( 1.074 1.250 -0.457) 1.710 25.276 ( -1.323 0.011 1.940) 2.349 25.651 ( -4.687 1.195 -3.294) 5.852 25.790 ( 11.489 -1.111 9.517) 14.961 26.893 ( 9.019 14.903 -6.662) 18.650 27.258 ( -10.993 -2.885 6.204) 12.949 27.688 ( -4.829 -6.942 -6.921) 10.927======================= Grid point 124 (49/171) =======================q-point: (-0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 11.034 -5.505 -4.733) 13.208 0.883 ( 13.885 -0.067 6.855) 15.485 1.436 ( 16.166 1.156 -4.502) 16.821 1.583 ( 0.943 -0.677 6.641) 6.741 1.716 ( 0.992 -0.845 -1.544) 2.021 1.827 ( 0.961 1.456 0.334) 1.777 1.912 ( 3.203 0.315 7.383) 8.054 1.970 ( 4.310 -0.568 10.085) 10.982 1.982 ( 5.505 0.046 -7.969) 9.685 2.453 ( 19.819 2.129 -27.335) 33.831 2.655 ( -2.265 -1.712 -0.869) 2.970 2.913 ( 12.237 0.043 -1.208) 12.296 3.693 ( -7.482 -8.014 -1.459) 11.060 4.137 ( 2.618 0.692 0.561) 2.766 4.404 ( -1.145 -0.082 0.839) 1.422 4.955 ( 5.215 0.506 3.289) 6.186 5.234 ( -15.052 0.371 1.141) 15.099 5.681 ( 0.217 1.070 3.168) 3.351 5.746 ( -12.722 5.276 1.806) 13.890 6.249 ( 0.137 2.819 -1.411) 3.155 7.704 ( 5.047 -1.664 -0.037) 5.314 8.638 ( 2.338 0.600 0.079) 2.415 9.636 ( -6.866 1.890 8.743) 11.276 10.403 ( -3.888 1.009 5.807) 7.061 11.615 ( 0.012 -0.726 16.495) 16.511 11.925 ( 3.106 -1.278 -16.017) 16.365 12.072 ( -11.696 0.251 4.220) 12.437 13.384 ( -9.502 0.944 1.323) 9.640 13.757 ( -5.782 -4.964 4.379) 8.789 13.843 ( -5.625 2.226 -2.954) 6.732 14.320 ( -3.522 1.996 -4.802) 6.280 14.459 ( -2.028 -0.525 3.598) 4.163 15.972 ( 14.589 -6.255 -5.404) 16.768 16.421 ( 11.580 -0.300 -4.920) 12.586 24.893 ( 0.182 -0.174 -2.604) 2.617 25.126 ( 0.476 0.588 -0.198) 0.782 25.298 ( -0.280 0.005 0.010) 0.280 25.661 ( 11.358 -0.180 5.656) 12.690 25.740 ( -7.667 0.473 -2.442) 8.061 26.848 ( 10.181 15.153 -2.307) 18.401 27.443 ( -8.984 -2.218 5.832) 10.938 27.630 ( -5.136 -6.321 -9.250) 12.324======================= Grid point 128 (50/171) =======================q-point: ( 0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( -0.000 11.554 13.153) 17.507 0.737 ( 0.000 3.652 11.809) 12.361 1.705 ( 0.000 -2.238 1.352) 2.615 1.793 ( 0.000 -2.080 -3.425) 4.007 1.803 ( 0.000 -3.419 12.170) 12.641 1.845 ( 0.000 1.265 7.746) 7.849 1.942 ( 0.000 4.144 13.320) 13.950 2.132 ( 0.000 1.507 18.285) 18.347 2.331 ( 0.000 -0.843 21.393) 21.409 2.422 ( 0.000 -0.145 29.719) 29.719 2.465 ( 0.000 1.697 7.182) 7.380 2.909 ( 0.000 -0.593 16.002) 16.013 4.028 ( -0.000 19.506 -12.099) 22.953 4.047 ( 0.000 -6.344 1.857) 6.610 4.388 ( -0.000 8.948 -4.950) 10.226 4.711 ( -0.000 2.084 5.260) 5.658 4.779 ( 0.000 -8.977 -10.457) 13.782 5.213 ( -0.000 4.211 -20.673) 21.097 5.545 ( -0.000 0.408 -2.785) 2.815 6.588 ( 0.000 -4.185 11.462) 12.202 7.846 ( -0.000 4.968 11.724) 12.733 8.532 ( 0.000 -0.821 -1.588) 1.788 9.456 ( -0.000 3.950 0.454) 3.976 10.194 ( -0.000 0.695 -18.052) 18.065 10.973 ( -0.000 4.385 -19.458) 19.946 11.838 ( -0.000 -1.303 -27.261) 27.292 12.418 ( 0.000 2.230 16.254) 16.406 13.534 ( -0.000 -4.300 -20.476) 20.923 13.765 ( -0.000 -1.880 -21.627) 21.709 13.781 ( -0.000 2.573 -9.181) 9.535 14.213 ( 0.000 -4.211 6.070) 7.388 14.334 ( 0.000 -14.897 5.406) 15.848 16.407 ( -0.000 19.163 14.863) 24.251 16.611 ( 0.000 2.056 19.420) 19.529 25.063 ( 0.000 -0.215 6.656) 6.660 25.202 ( 0.000 -1.046 3.757) 3.900 25.472 ( 0.000 1.382 9.767) 9.864 25.584 ( 0.000 0.073 6.175) 6.175 26.187 ( 0.000 -2.927 9.120) 9.578 26.394 ( 0.000 -15.165 6.284) 16.416 27.510 ( -0.000 1.181 -11.734) 11.794 27.784 ( 0.000 -7.806 -6.644) 10.250======================= Grid point 129 (51/171) =======================q-point: ( 0.40 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( -2.328 9.539 11.724) 15.293 0.927 ( -6.127 5.892 11.577) 14.362 1.626 ( 4.369 -3.407 -2.988) 6.295 1.701 ( 2.919 -1.880 -3.356) 4.829 1.858 ( 5.289 1.977 7.760) 9.597 1.889 ( -1.830 -3.924 6.235) 7.590 2.039 ( 2.223 1.910 4.247) 5.160 2.257 ( 6.201 2.569 23.252) 24.202 2.347 ( 9.093 -0.435 13.284) 16.104 2.528 ( -1.222 0.506 1.794) 2.229 2.983 ( -15.947 1.399 38.860) 42.028 3.130 ( -3.833 1.032 24.458) 24.778 3.992 ( 1.382 2.098 -3.213) 4.078 4.093 ( -0.464 6.492 -4.418) 7.866 4.376 ( 4.828 4.678 -5.454) 8.657 4.689 ( -8.171 -4.324 -14.356) 17.075 4.760 ( -4.789 -1.920 -4.889) 7.108 5.077 ( -2.835 1.754 -19.940) 20.216 5.611 ( -2.719 2.826 9.064) 9.876 6.597 ( 4.740 -5.099 9.360) 11.665 7.981 ( 1.490 4.645 10.431) 11.515 8.515 ( -1.454 -1.581 -2.526) 3.316 9.458 ( 4.695 4.785 -3.484) 7.555 10.026 ( 0.830 1.428 -19.059) 19.131 10.890 ( -5.231 5.086 -17.130) 18.619 11.587 ( -1.773 -1.479 -27.918) 28.013 12.582 ( 0.402 3.140 16.002) 16.312 13.269 ( 6.573 -4.111 -15.094) 16.968 13.564 ( 1.408 0.319 -17.526) 17.585 13.744 ( -2.526 0.456 -8.661) 9.034 14.216 ( -0.789 -6.267 3.564) 7.253 14.308 ( -5.789 -11.125 4.451) 13.308 16.642 ( 4.431 12.491 13.484) 18.907 16.795 ( 0.093 3.708 14.929) 15.383 25.121 ( -0.061 -0.208 6.683) 6.686 25.204 ( 2.612 -0.827 3.830) 4.709 25.526 ( 6.289 0.949 8.401) 10.537 25.617 ( 3.083 0.885 7.279) 7.954 26.154 ( 6.423 -4.744 9.400) 12.334 26.446 ( -11.329 -11.915 7.856) 18.222 27.384 ( 3.662 2.487 -12.095) 12.880 27.693 ( -4.046 -5.031 -8.698) 10.832======================= Grid point 130 (52/171) =======================q-point: ( 0.50 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( -4.023 4.521 8.858) 10.728 1.208 ( -6.726 7.460 11.329) 15.140 1.486 ( 6.119 -3.419 -1.812) 7.240 1.612 ( 2.985 -1.385 -2.664) 4.234 1.852 ( 6.722 2.841 7.535) 10.490 1.900 ( 2.787 -3.380 5.795) 7.265 2.054 ( -1.990 0.934 -1.511) 2.667 2.306 ( 12.191 -0.671 20.987) 24.280 2.395 ( 2.399 0.341 9.474) 9.779 2.551 ( 4.086 2.688 10.558) 11.635 3.426 ( -5.072 3.858 20.596) 21.560 3.493 ( -9.292 1.491 25.397) 27.085 3.951 ( 1.373 1.631 -7.065) 7.380 4.103 ( 1.202 0.273 1.564) 1.991 4.258 ( 7.631 0.799 -4.373) 8.831 4.644 ( -8.308 -1.458 -17.907) 19.795 4.750 ( -5.419 -1.911 -9.234) 10.875 5.003 ( -7.578 -0.082 -17.124) 18.726 5.800 ( -2.060 3.952 15.363) 15.996 6.525 ( 7.802 -4.084 6.477) 10.932 8.058 ( 3.010 1.779 7.547) 8.318 8.502 ( -2.302 -1.618 -3.116) 4.198 9.347 ( 8.385 4.399 -5.264) 10.834 9.895 ( -0.648 3.266 -13.389) 13.796 10.930 ( -10.813 3.913 -12.884) 17.269 11.397 ( -5.595 -0.995 -24.345) 25.000 12.741 ( 0.627 3.107 14.500) 14.842 13.021 ( 7.148 -3.438 -8.623) 11.716 13.427 ( -0.269 2.386 -13.750) 13.958 13.713 ( -3.053 -0.688 -7.978) 8.570 14.191 ( -1.723 -6.968 0.877) 7.231 14.350 ( -6.648 -8.839 2.850) 11.421 16.750 ( 7.057 6.908 11.069) 14.834 16.922 ( 2.868 4.469 10.139) 11.446 25.167 ( 1.435 0.267 3.346) 3.650 25.192 ( 1.822 -0.180 5.272) 5.581 25.444 ( 10.764 -0.317 3.901) 11.453 25.630 ( 4.224 1.257 5.616) 7.139 26.128 ( 4.590 -2.830 12.177) 13.317 26.601 ( -12.535 -10.508 7.987) 18.202 27.240 ( 5.288 3.607 -11.695) 13.332 27.652 ( -5.764 -3.361 -9.011) 11.213======================= Grid point 131 (53/171) =======================q-point: ( 0.60 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.196 ( -3.380 0.936 5.168) 6.246 1.315 ( 5.201 -1.732 0.113) 5.483 1.418 ( 1.407 0.434 1.938) 2.433 1.600 ( -2.123 3.511 5.611) 6.951 1.837 ( 8.758 1.592 11.612) 14.631 1.877 ( 2.443 -0.362 3.265) 4.094 2.078 ( -3.866 1.105 -6.011) 7.232 2.301 ( 10.988 -2.519 20.930) 23.773 2.358 ( 7.127 -0.433 2.894) 7.704 2.649 ( 5.584 3.867 17.202) 18.494 3.680 ( 2.669 0.822 1.280) 3.072 3.697 ( -3.453 4.266 12.280) 13.450 3.846 ( 3.390 -1.606 -7.298) 8.205 4.056 ( 6.711 -3.418 1.128) 7.616 4.162 ( -0.532 -1.296 6.157) 6.315 4.621 ( -9.265 -0.698 -16.081) 18.572 4.769 ( -6.570 1.949 -6.294) 9.305 4.988 ( -9.311 0.277 -16.451) 18.906 5.972 ( 2.088 4.078 13.058) 13.839 6.399 ( 9.682 -1.816 2.112) 10.075 8.047 ( 3.772 -2.941 3.634) 6.007 8.521 ( -3.280 0.626 -0.691) 3.410 9.249 ( 4.589 3.137 0.492) 5.580 9.888 ( -3.557 4.624 -3.687) 6.902 11.033 ( -12.827 0.816 -11.919) 17.529 11.333 ( -10.094 0.787 -16.484) 19.345 12.764 ( 7.600 -3.900 -2.122) 8.802 12.928 ( 0.856 3.155 8.978) 9.554 13.383 ( -3.060 4.803 -9.302) 10.907 13.688 ( -3.765 -1.933 -6.609) 7.848 14.163 ( -2.836 -6.054 -1.253) 6.801 14.387 ( -5.507 -7.468 1.123) 9.346 16.753 ( 9.163 3.327 7.523) 12.314 16.965 ( 5.970 3.719 6.518) 9.590 25.151 ( 2.843 1.590 0.974) 3.400 25.227 ( 0.543 0.312 3.704) 3.756 25.285 ( 10.552 -1.116 0.969) 10.655 25.612 ( 3.316 0.322 2.330) 4.066 26.157 ( 6.335 -0.271 15.518) 16.763 26.771 ( -12.361 -8.254 6.061) 16.052 27.079 ( 6.568 4.415 -11.576) 14.022 27.646 ( -6.492 -3.338 -7.339) 10.351======================= Grid point 132 (54/171) =======================q-point: (-0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( 4.630 -1.357 -1.207) 4.974 1.226 ( 6.385 -3.290 -0.395) 7.193 1.440 ( -3.909 -0.324 2.944) 4.904 1.734 ( -1.928 3.533 3.577) 5.385 1.826 ( 8.834 1.324 13.959) 16.572 1.881 ( 2.429 1.119 5.808) 6.394 2.086 ( -1.947 1.792 -6.204) 6.745 2.214 ( 5.267 -0.101 -6.669) 8.499 2.312 ( 15.078 -2.787 27.416) 31.413 2.705 ( 6.979 1.976 9.768) 12.167 3.521 ( 10.246 -0.544 -10.211) 14.476 3.616 ( 12.454 -1.156 -10.848) 16.557 3.722 ( 1.671 -5.782 -3.280) 6.855 4.111 ( -4.472 -0.469 11.961) 12.778 4.255 ( -1.198 0.196 9.883) 9.958 4.630 ( -10.551 -1.035 -13.388) 17.077 4.874 ( -6.995 3.861 -1.574) 8.144 5.020 ( -11.678 2.838 -14.683) 18.975 6.001 ( 10.665 3.079 5.822) 12.535 6.261 ( 6.663 1.376 -0.172) 6.806 7.974 ( 3.197 -5.245 1.803) 6.402 8.589 ( -2.720 2.339 0.941) 3.708 9.284 ( -1.434 1.612 6.972) 7.298 10.013 ( -6.118 4.780 3.590) 8.554 11.135 ( -14.401 -1.678 -9.772) 17.484 11.429 ( -13.467 2.035 -7.644) 15.618 12.553 ( 10.642 -4.244 -3.098) 11.868 13.041 ( -1.643 2.376 7.229) 7.785 13.444 ( -5.395 6.280 -4.349) 9.352 13.682 ( -4.610 -3.153 -3.952) 6.842 14.150 ( -4.019 -4.107 -2.727) 6.361 14.402 ( -4.075 -5.926 -0.174) 7.194 16.664 ( 11.141 0.568 3.999) 11.851 16.921 ( 8.975 2.439 3.239) 9.848 25.109 ( 8.015 0.483 -1.588) 8.185 25.142 ( 2.856 2.078 -0.296) 3.544 25.258 ( -0.103 -0.618 2.889) 2.956 25.582 ( 1.298 -0.417 -0.391) 1.419 26.174 ( 10.733 0.672 16.146) 19.399 26.875 ( 1.618 6.246 -9.673) 11.627 26.993 ( -7.380 -4.242 2.299) 8.817 27.651 ( -6.140 -5.228 -5.274) 9.636======================= Grid point 133 (55/171) =======================q-point: (-0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 8.850 -6.271 -2.036) 11.036 1.094 ( 4.341 0.865 -0.206) 4.431 1.528 ( -4.468 -1.154 2.159) 5.094 1.765 ( 5.461 0.985 5.061) 7.511 1.821 ( 5.916 3.936 4.874) 8.616 1.914 ( 3.294 -0.322 8.667) 9.278 2.011 ( 3.967 0.326 -8.014) 8.948 2.111 ( 2.782 1.590 -5.392) 6.272 2.288 ( 13.747 -1.892 22.995) 26.858 2.638 ( 5.864 -0.727 -1.405) 6.074 3.172 ( 20.032 -0.486 -15.009) 25.036 3.322 ( 14.085 0.487 -3.770) 14.589 3.648 ( -5.733 -10.558 -2.601) 12.292 4.202 ( 0.909 -0.590 3.624) 3.782 4.356 ( -1.120 0.796 5.401) 5.573 4.740 ( -15.421 -0.726 -4.607) 16.110 4.991 ( -3.927 2.482 0.807) 4.715 5.170 ( -15.120 6.036 -7.725) 18.020 5.839 ( 13.239 2.135 0.320) 13.414 6.228 ( 2.747 3.710 0.941) 4.711 7.890 ( 3.359 -4.528 0.845) 5.701 8.644 ( -0.584 2.344 0.384) 2.447 9.414 ( -5.178 0.849 6.362) 8.246 10.197 ( -6.479 4.157 4.543) 8.939 11.301 ( -16.284 -1.813 -2.796) 16.621 11.628 ( -15.124 1.481 -2.029) 15.331 12.308 ( 12.857 -3.851 -2.537) 13.659 13.150 ( -4.449 1.043 3.553) 5.788 13.569 ( -6.244 6.019 -1.839) 8.866 13.704 ( -5.245 -4.506 -0.519) 6.934 14.166 ( -4.750 -1.748 -2.809) 5.789 14.409 ( -3.392 -3.942 -0.299) 5.209 16.490 ( 13.221 -2.030 0.944) 13.409 16.792 ( 11.712 1.174 0.389) 11.777 24.982 ( 5.785 -0.118 -1.629) 6.011 25.132 ( 1.653 2.569 -0.361) 3.076 25.278 ( -0.572 -0.169 1.356) 1.482 25.570 ( -1.709 -0.390 -1.396) 2.241 26.097 ( 14.473 -0.397 9.791) 17.479 26.808 ( 6.681 15.020 -7.479) 18.060 27.151 ( -12.365 -4.788 3.205) 13.641 27.639 ( -5.296 -8.149 -3.401) 10.297======================= Grid point 134 (56/171) =======================q-point: (-0.10 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.820 ( 10.165 -7.314 -0.000) 12.523 1.036 ( 5.502 1.424 -0.000) 5.684 1.590 ( -3.704 -1.321 0.000) 3.933 1.646 ( 14.401 3.322 -0.000) 14.779 1.813 ( 2.463 2.025 -0.000) 3.189 1.878 ( 8.384 -2.168 -0.000) 8.660 1.924 ( -0.111 -1.518 -0.000) 1.522 2.011 ( 5.688 1.427 -0.000) 5.864 2.227 ( 9.241 -0.786 -0.000) 9.274 2.538 ( 8.143 3.205 -0.000) 8.751 2.739 ( 17.362 -3.897 -0.000) 17.794 3.105 ( 13.602 1.089 -0.000) 13.645 3.649 ( -8.361 -10.896 -0.000) 13.734 4.180 ( 2.694 -0.004 -0.000) 2.694 4.395 ( -0.626 0.635 0.000) 0.892 4.976 ( -16.950 -0.434 0.000) 16.956 5.028 ( 1.891 0.895 -0.000) 2.092 5.449 ( -16.350 7.084 0.000) 17.819 5.711 ( 5.417 2.110 -0.000) 5.813 6.233 ( 1.963 3.933 0.000) 4.396 7.799 ( 4.318 -2.944 -0.000) 5.226 8.657 ( 1.291 1.526 0.000) 1.998 9.548 ( -6.744 1.327 0.000) 6.874 10.342 ( -5.098 2.779 0.000) 5.806 11.532 ( -15.261 -1.138 0.000) 15.303 11.869 ( -14.699 0.924 0.000) 14.728 12.050 ( 13.919 -2.976 -0.000) 14.233 13.261 ( -7.195 0.111 0.000) 7.196 13.706 ( -6.028 4.671 0.000) 7.626 13.741 ( -5.592 -5.956 -0.000) 8.169 14.220 ( -4.709 0.612 0.000) 4.749 14.435 ( -3.450 -1.918 0.000) 3.947 16.241 ( 14.994 -4.655 -0.000) 15.700 16.602 ( 13.193 0.217 -0.000) 13.195 24.906 ( 2.791 -0.228 -0.000) 2.801 25.128 ( 1.186 1.609 0.000) 1.999 25.293 ( -0.515 0.068 0.000) 0.520 25.617 ( -5.385 0.368 0.000) 5.398 25.904 ( 14.490 -0.828 -0.000) 14.514 26.818 ( 8.896 18.817 0.000) 20.814 27.322 ( -11.887 -2.581 0.000) 12.164 27.609 ( -4.436 -10.409 -0.000) 11.315======================= Grid point 137 (57/171) =======================q-point: ( 0.20 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( 9.676 0.000 12.484) 15.795 0.828 ( 4.976 0.000 18.811) 19.458 1.518 ( -7.183 0.000 10.750) 12.929 1.655 ( -4.352 0.000 -0.563) 4.389 1.680 ( -5.208 -0.000 -1.782) 5.504 1.882 ( -2.579 0.000 4.178) 4.910 1.904 ( -6.835 0.000 17.109) 18.424 2.084 ( 3.732 0.000 9.493) 10.200 2.153 ( -0.051 0.000 4.200) 4.200 2.558 ( 1.042 -0.000 -4.241) 4.368 2.943 ( 19.012 0.000 31.927) 37.159 3.000 ( 5.971 0.000 16.330) 17.387 3.793 ( -1.109 0.000 2.853) 3.061 4.124 ( -0.724 0.000 1.880) 2.015 4.321 ( -2.350 -0.000 -8.679) 8.992 4.815 ( 6.420 -0.000 0.114) 6.421 5.154 ( -0.723 -0.000 -14.851) 14.868 5.276 ( 14.725 -0.000 -20.494) 25.236 5.622 ( 4.289 -0.000 -2.778) 5.110 6.483 ( -8.020 0.000 8.931) 12.003 7.786 ( 0.013 0.000 11.566) 11.566 8.588 ( 2.555 -0.000 -1.210) 2.827 9.379 ( -4.111 -0.000 -9.367) 10.230 10.128 ( -3.187 -0.000 -17.667) 17.953 11.069 ( 9.053 -0.000 -14.443) 17.045 11.837 ( -1.108 -0.000 -21.344) 21.373 12.382 ( -0.734 0.000 17.203) 17.218 13.362 ( -9.730 -0.000 -14.789) 17.703 13.585 ( -5.560 -0.000 -12.326) 13.522 13.885 ( 1.844 -0.000 -9.446) 9.624 14.297 ( 2.334 0.000 1.195) 2.622 14.556 ( 0.603 0.000 4.039) 4.084 16.198 ( 1.974 0.000 20.731) 20.825 16.613 ( 1.207 0.000 14.333) 14.384 25.054 ( -0.641 0.000 7.655) 7.682 25.140 ( -2.405 0.000 1.651) 2.917 25.369 ( -4.888 0.000 4.014) 6.324 25.517 ( -0.702 0.000 3.646) 3.713 26.014 ( -8.197 0.000 8.292) 11.660 26.801 ( 10.935 0.000 2.037) 11.124 27.354 ( -6.805 -0.000 -10.003) 12.098 27.873 ( -2.289 -0.000 -2.490) 3.382======================= Grid point 139 (58/171) =======================q-point: ( 0.40 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( -0.000 8.527 15.564) 17.746 0.919 ( 0.000 3.202 9.419) 9.949 1.658 ( 0.000 -2.621 -3.348) 4.252 1.706 ( 0.000 -2.254 -4.838) 5.337 1.892 ( -0.000 2.483 -0.913) 2.646 1.912 ( -0.000 -0.479 -1.666) 1.733 2.073 ( 0.000 -0.709 5.639) 5.683 2.489 ( 0.000 -1.619 0.807) 1.809 2.560 ( 0.000 2.977 12.917) 13.256 2.600 ( 0.000 0.741 29.653) 29.663 3.195 ( 0.000 1.103 41.996) 42.011 3.345 ( 0.000 -0.043 27.907) 27.907 3.901 ( -0.000 9.158 -3.415) 9.774 4.032 ( 0.000 -3.141 -6.652) 7.356 4.312 ( -0.000 5.884 -0.936) 5.958 4.597 ( 0.000 -6.372 -9.762) 11.658 4.658 ( -0.000 -0.559 -10.079) 10.094 4.845 ( -0.000 2.692 -20.709) 20.884 5.683 ( 0.000 2.577 17.828) 18.013 6.739 ( 0.000 -3.242 4.708) 5.716 8.057 ( 0.000 2.358 11.528) 11.767 8.496 ( 0.000 -1.595 -2.554) 3.011 9.436 ( -0.000 3.731 -2.803) 4.666 9.835 ( -0.000 1.547 -21.196) 21.253 10.653 ( -0.000 3.518 -15.800) 16.187 11.320 ( -0.000 -0.746 -30.135) 30.144 12.704 ( 0.000 1.804 15.980) 16.081 13.217 ( -0.000 -2.427 -13.609) 13.824 13.439 ( -0.000 -0.624 -14.889) 14.902 13.633 ( -0.000 1.516 -8.729) 8.860 14.304 ( 0.000 -4.563 4.188) 6.193 14.391 ( 0.000 -10.034 1.555) 10.154 16.683 ( -0.000 10.575 14.922) 18.289 16.897 ( 0.000 2.047 12.369) 12.538 25.181 ( 0.000 -0.327 6.307) 6.316 25.268 ( 0.000 -0.809 3.455) 3.549 25.660 ( 0.000 1.568 10.842) 10.954 25.702 ( 0.000 0.429 6.848) 6.862 26.384 ( 0.000 -4.225 12.992) 13.661 26.451 ( 0.000 -8.006 1.928) 8.235 27.275 ( -0.000 2.111 -14.280) 14.435 27.607 ( -0.000 -4.437 -12.797) 13.544======================= Grid point 140 (59/171) =======================q-point: ( 0.50 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( -1.602 4.315 9.892) 10.910 1.130 ( -5.953 8.288 11.688) 15.515 1.569 ( 3.423 -3.388 -3.012) 5.681 1.633 ( 1.478 -2.211 -3.642) 4.510 1.890 ( 0.886 2.886 -2.320) 3.808 1.922 ( -3.049 0.490 -3.252) 4.484 2.087 ( 3.128 -1.369 5.703) 6.647 2.447 ( 1.617 -1.783 -2.889) 3.761 2.689 ( 5.773 2.346 20.267) 21.203 2.789 ( 7.659 1.836 28.561) 29.627 3.559 ( 0.553 1.208 22.089) 22.129 3.603 ( -4.433 1.804 27.528) 27.941 3.896 ( 1.508 2.524 -5.741) 6.451 4.042 ( -7.180 3.024 -5.593) 9.591 4.314 ( 4.491 1.766 -0.219) 4.831 4.454 ( 0.302 -2.985 -10.329) 10.756 4.596 ( -4.573 -1.955 -11.437) 12.471 4.728 ( -6.014 0.801 -18.774) 19.730 5.903 ( -0.956 3.376 21.359) 21.646 6.693 ( 4.831 -3.087 0.490) 5.754 8.153 ( 1.335 0.806 8.626) 8.766 8.460 ( -1.443 -2.396 -3.598) 4.557 9.387 ( 6.567 4.142 -4.145) 8.801 9.702 ( -2.556 3.671 -15.986) 16.600 10.631 ( -8.061 3.609 -11.432) 14.446 11.091 ( -4.426 -0.359 -26.810) 27.175 12.856 ( 0.457 2.069 14.717) 14.869 13.068 ( 3.936 -2.635 -6.919) 8.385 13.312 ( 0.863 0.415 -11.058) 11.099 13.581 ( -1.881 1.531 -10.020) 10.310 14.274 ( 0.229 -7.744 2.654) 8.190 14.361 ( -4.809 -8.587 1.879) 10.020 16.858 ( 3.496 8.118 10.513) 13.735 16.999 ( 1.520 3.366 7.903) 8.723 25.224 ( 0.855 -0.404 4.647) 4.742 25.268 ( 2.347 -0.466 3.229) 4.019 25.664 ( 10.087 0.151 6.756) 12.141 25.747 ( 4.522 1.885 6.895) 8.459 26.329 ( 4.221 -5.084 10.032) 12.013 26.572 ( -11.157 -9.455 7.026) 16.225 27.163 ( 2.594 3.736 -11.995) 12.829 27.500 ( -4.951 -2.975 -12.583) 13.846======================= Grid point 141 (60/171) =======================q-point: ( 0.60 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( -3.316 1.676 6.068) 7.115 1.367 ( -1.753 5.179 6.718) 8.662 1.469 ( 3.408 -1.428 -0.055) 3.695 1.570 ( -0.638 -0.988 -1.537) 1.936 1.888 ( 0.334 3.094 -1.824) 3.607 1.945 ( -3.159 0.086 -3.237) 4.524 2.069 ( 5.581 0.047 8.140) 9.870 2.360 ( 3.097 -0.995 -5.555) 6.438 2.769 ( 10.733 -0.488 24.024) 26.317 2.922 ( 8.319 2.354 23.536) 25.073 3.689 ( 2.487 1.590 -0.406) 2.980 3.781 ( 0.899 3.014 12.318) 12.713 3.862 ( 2.810 0.043 -0.335) 2.831 4.153 ( -5.690 1.618 -4.422) 7.386 4.209 ( 4.800 -3.290 4.170) 7.159 4.383 ( -3.297 -0.129 -7.333) 8.042 4.582 ( -6.605 0.734 -8.728) 10.970 4.695 ( -8.290 0.272 -16.636) 18.590 6.105 ( 2.083 3.111 17.555) 17.950 6.553 ( 8.325 -1.398 -3.672) 9.205 8.168 ( 2.880 -3.530 4.427) 6.352 8.454 ( -3.510 -0.497 -1.903) 4.023 9.297 ( 4.958 3.127 -0.323) 5.871 9.715 ( -5.690 6.351 -6.747) 10.874 10.726 ( -11.935 0.918 -9.762) 15.446 11.005 ( -10.273 1.384 -17.878) 20.665 12.903 ( 6.776 -2.894 0.133) 7.369 12.996 ( 0.782 1.310 7.973) 8.117 13.250 ( -0.899 3.246 -5.042) 6.064 13.544 ( -3.397 1.669 -10.612) 11.266 14.217 ( -1.016 -9.248 1.396) 9.408 14.382 ( -5.391 -7.756 1.006) 9.499 16.907 ( 7.002 4.316 6.464) 10.461 17.053 ( 3.742 4.691 4.611) 7.567 25.209 ( 3.938 0.417 1.650) 4.290 25.270 ( 1.417 0.230 2.983) 3.310 25.506 ( 13.859 -1.232 2.798) 14.192 25.714 ( 6.550 0.851 3.500) 7.475 26.364 ( 2.203 -1.389 14.143) 14.381 26.703 ( -10.880 -8.466 2.054) 13.938 27.043 ( 4.430 1.890 -8.877) 10.099 27.485 ( -7.906 -1.589 -8.888) 12.001======================= Grid point 142 (61/171) =======================q-point: ( 0.70 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.237 ( 0.806 -2.215 0.403) 2.392 1.351 ( 5.358 -2.049 1.962) 6.063 1.426 ( 0.523 -0.162 0.450) 0.709 1.672 ( -4.437 4.924 2.226) 6.992 1.911 ( -0.689 2.113 1.125) 2.491 1.961 ( -2.713 -0.679 -2.836) 3.983 2.072 ( 6.281 2.731 9.965) 12.092 2.234 ( 5.406 0.513 -7.621) 9.358 2.760 ( 12.800 -2.382 17.660) 21.940 2.952 ( 11.219 0.121 12.908) 17.103 3.566 ( 5.425 -1.404 -6.891) 8.881 3.711 ( 10.697 1.154 -7.318) 13.012 3.828 ( 7.401 -1.022 0.913) 7.527 4.165 ( -4.740 -1.950 10.559) 11.737 4.308 ( -4.383 -0.655 4.532) 6.339 4.385 ( -4.821 -0.172 -6.756) 8.301 4.668 ( -10.076 4.094 -7.986) 13.494 4.708 ( -8.961 2.328 -9.392) 13.188 6.191 ( 7.193 2.863 11.306) 13.703 6.355 ( 10.054 0.694 -6.635) 12.066 8.094 ( 3.024 -6.563 1.471) 7.374 8.520 ( -4.054 2.095 0.256) 4.571 9.302 ( -0.233 1.834 3.475) 3.936 9.857 ( -7.922 7.207 -0.654) 10.729 10.838 ( -14.577 -2.129 -7.603) 16.578 11.119 ( -14.552 2.764 -6.612) 16.221 12.738 ( 9.851 -3.551 -0.282) 10.475 13.054 ( -0.611 1.270 2.833) 3.164 13.312 ( -2.766 4.915 1.636) 5.872 13.544 ( -5.386 2.005 -7.661) 9.577 14.165 ( -2.241 -8.982 0.517) 9.272 14.394 ( -4.526 -7.097 0.031) 8.418 16.847 ( 9.590 1.944 2.830) 10.186 17.042 ( 6.928 4.080 2.167) 8.327 25.165 ( 3.946 1.891 0.496) 4.404 25.247 ( 7.551 2.166 -0.103) 7.856 25.319 ( 6.229 -3.204 1.592) 7.184 25.642 ( 5.003 -0.459 0.915) 5.107 26.445 ( 6.385 1.516 15.953) 17.250 26.743 ( -1.080 2.773 -11.057) 11.450 26.957 ( -4.803 -7.006 -0.225) 8.497 27.538 ( -7.992 -2.676 -3.833) 9.258======================= Grid point 143 (62/171) =======================q-point: (-0.20 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( 4.519 -1.575 -0.000) 4.786 1.219 ( 7.616 -4.832 -0.000) 9.020 1.474 ( -4.267 -0.091 0.000) 4.268 1.763 ( -0.940 3.855 0.000) 3.968 1.945 ( -0.943 -2.363 -0.000) 2.545 1.982 ( -0.364 3.279 0.000) 3.299 2.030 ( 10.119 0.986 -0.000) 10.167 2.118 ( 4.364 3.707 -0.000) 5.726 2.623 ( 12.920 -2.522 -0.000) 13.163 2.801 ( 12.137 -2.401 -0.000) 12.372 3.385 ( 13.906 0.028 -0.000) 13.906 3.499 ( 13.156 2.147 -0.000) 13.330 3.688 ( 1.803 -8.436 -0.000) 8.626 4.248 ( 0.143 -2.455 -0.000) 2.460 4.368 ( -0.882 0.241 0.000) 0.915 4.490 ( -13.864 -0.301 0.000) 13.867 4.843 ( -14.139 5.057 0.000) 15.016 4.859 ( -8.354 4.462 0.000) 9.471 6.062 ( 16.341 1.730 -0.000) 16.433 6.246 ( 3.413 3.240 -0.000) 4.707 7.994 ( 3.014 -6.157 -0.000) 6.855 8.598 ( -2.502 2.788 0.000) 3.746 9.366 ( -3.482 0.979 0.000) 3.617 10.051 ( -8.146 6.381 0.000) 10.348 11.032 ( -17.554 -2.644 0.000) 17.752 11.354 ( -15.948 2.136 0.000) 16.090 12.532 ( 12.083 -3.777 -0.000) 12.660 13.103 ( -2.637 1.005 0.000) 2.822 13.424 ( -4.505 5.592 0.000) 7.181 13.618 ( -6.340 0.565 0.000) 6.365 14.135 ( -3.423 -6.723 -0.000) 7.545 14.397 ( -3.775 -5.807 -0.000) 6.927 16.701 ( 11.837 0.050 -0.000) 11.837 16.950 ( 10.062 2.636 -0.000) 10.402 25.095 ( 9.672 0.360 -0.000) 9.678 25.137 ( 2.701 2.881 0.000) 3.949 25.284 ( 0.057 -0.898 -0.000) 0.900 25.579 ( 2.287 -1.055 -0.000) 2.518 26.376 ( 13.756 0.049 -0.000) 13.756 26.717 ( 3.252 11.533 0.000) 11.982 27.033 ( -11.718 -7.653 0.000) 13.996 27.598 ( -6.655 -5.647 0.000) 8.728======================= Grid point 147 (63/171) =======================q-point: ( 0.20 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 9.121 -2.441 11.563) 14.928 1.079 ( 3.898 -1.324 19.887) 20.308 1.429 ( -7.730 0.036 -2.436) 8.105 1.560 ( -4.710 2.288 -1.400) 5.420 1.626 ( -3.836 -2.398 2.295) 5.073 1.866 ( -2.063 0.966 2.323) 3.254 1.936 ( -11.974 1.029 23.405) 26.310 2.174 ( 3.342 0.058 -4.009) 5.220 2.237 ( 3.130 -1.038 10.657) 11.155 2.499 ( -2.088 0.237 -6.119) 6.470 3.268 ( 8.241 -1.779 16.973) 18.952 3.427 ( 11.084 -0.297 21.545) 24.231 3.844 ( 0.009 -3.119 6.216) 6.955 4.095 ( -3.406 1.179 -1.353) 3.850 4.207 ( -3.866 0.189 -5.583) 6.793 4.857 ( 4.769 -0.181 -9.782) 10.884 5.024 ( 0.784 1.557 -12.099) 12.224 5.313 ( 11.158 1.156 -16.619) 20.051 5.692 ( 2.457 -0.302 6.549) 7.001 6.395 ( -10.175 1.018 4.808) 11.300 7.889 ( -0.666 -1.178 10.905) 10.989 8.606 ( 1.982 0.957 -2.353) 3.222 9.220 ( -5.167 -0.719 -7.170) 8.867 9.941 ( -1.702 -1.117 -15.016) 15.154 11.140 ( 11.996 -0.900 -8.782) 14.894 11.663 ( 1.552 0.093 -18.137) 18.203 12.537 ( 0.395 -0.989 17.509) 17.541 13.110 ( -6.453 3.186 -10.952) 13.105 13.415 ( -3.774 -3.439 -12.866) 13.842 13.847 ( 2.613 0.361 -6.951) 7.434 14.324 ( 0.735 1.568 1.213) 2.114 14.583 ( 0.404 3.233 4.186) 5.304 16.391 ( -0.201 -3.253 14.675) 15.033 16.723 ( -0.721 -1.042 8.587) 8.680 25.116 ( -1.183 -0.084 3.382) 3.583 25.117 ( -0.511 -0.240 3.912) 3.952 25.291 ( -7.168 0.093 0.268) 7.174 25.538 ( 0.290 -0.315 1.084) 1.165 25.973 ( -7.441 0.506 10.294) 12.712 26.976 ( 10.668 5.344 4.996) 12.935 27.155 ( -7.987 -1.781 -10.935) 13.658 27.818 ( -0.793 0.464 -2.920) 3.061======================= Grid point 148 (64/171) =======================q-point: ( 0.30 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( 7.275 0.000 14.929) 16.607 1.072 ( 9.786 0.000 9.384) 13.558 1.593 ( -6.936 -0.000 -1.113) 7.025 1.617 ( -4.848 -0.000 -3.863) 6.199 1.773 ( -6.663 0.000 7.581) 10.093 1.979 ( -6.998 0.000 7.574) 10.312 2.042 ( 5.647 -0.000 -6.857) 8.883 2.340 ( -9.669 0.000 21.305) 23.396 2.359 ( -3.953 0.000 23.722) 24.049 2.499 ( -2.919 -0.000 -2.217) 3.665 3.340 ( 2.209 0.000 20.374) 20.494 3.466 ( 9.786 0.000 24.733) 26.599 3.853 ( 2.052 0.000 3.472) 4.033 4.177 ( -4.173 0.000 3.997) 5.778 4.186 ( 1.576 -0.000 -5.987) 6.191 4.647 ( 4.531 -0.000 -18.332) 18.883 4.865 ( 3.148 -0.000 -17.386) 17.668 4.971 ( 12.705 -0.000 -14.849) 19.542 5.730 ( 3.322 0.000 14.504) 14.880 6.602 ( -9.886 0.000 3.469) 10.477 8.011 ( -1.359 0.000 13.093) 13.163 8.554 ( 2.211 -0.000 -2.711) 3.498 9.257 ( -6.517 -0.000 -4.188) 7.746 9.808 ( -0.291 -0.000 -17.328) 17.330 10.851 ( 12.992 -0.000 -10.409) 16.648 11.413 ( 4.855 -0.000 -25.764) 26.217 12.682 ( -0.083 0.000 16.640) 16.640 13.123 ( -5.895 -0.000 -10.826) 12.327 13.354 ( -4.344 -0.000 -12.845) 13.560 13.698 ( 4.238 -0.000 -11.206) 11.980 14.358 ( 0.284 0.000 4.345) 4.354 14.582 ( 3.513 -0.000 -0.629) 3.569 16.538 ( -1.904 0.000 17.215) 17.320 16.832 ( -2.682 0.000 9.936) 10.292 25.178 ( -4.881 0.000 2.444) 5.459 25.178 ( -0.370 0.000 5.635) 5.647 25.457 ( -9.818 0.000 5.969) 11.490 25.593 ( -3.907 0.000 4.261) 5.781 26.188 ( -7.538 0.000 11.195) 13.496 26.868 ( 12.426 0.000 5.962) 13.782 27.146 ( -5.838 -0.000 -13.278) 14.505 27.745 ( 3.012 -0.000 -11.001) 11.406======================= Grid point 150 (65/171) =======================q-point: ( 0.50 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( -0.000 3.149 8.391) 8.963 1.108 ( -0.000 6.309 11.058) 12.731 1.604 ( 0.000 -3.492 -2.424) 4.251 1.634 ( 0.000 -2.330 -3.207) 3.964 1.823 ( -0.000 3.253 -5.227) 6.157 1.848 ( -0.000 3.419 -3.680) 5.023 2.193 ( 0.000 -2.670 7.374) 7.842 2.437 ( -0.000 -1.558 -5.309) 5.533 2.850 ( 0.000 3.514 18.599) 18.928 3.093 ( 0.000 0.038 22.501) 22.501 3.760 ( 0.000 0.030 17.482) 17.482 3.797 ( 0.000 0.971 23.424) 23.444 3.805 ( -0.000 2.563 -14.308) 14.536 3.870 ( -0.000 3.606 -1.411) 3.872 4.372 ( 0.000 -0.064 4.806) 4.807 4.447 ( -0.000 -2.588 -7.557) 7.988 4.459 ( -0.000 -0.162 -10.247) 10.249 4.507 ( -0.000 0.079 -15.198) 15.198 6.079 ( 0.000 1.930 24.575) 24.651 6.724 ( -0.000 -1.448 -7.181) 7.326 8.237 ( 0.000 -0.563 8.626) 8.644 8.440 ( 0.000 -2.521 -3.748) 4.517 9.372 ( -0.000 3.768 -3.507) 5.148 9.506 ( -0.000 2.626 -14.414) 14.652 10.457 ( -0.000 2.631 -5.182) 5.812 10.825 ( -0.000 0.275 -24.507) 24.509 12.974 ( 0.000 0.773 14.223) 14.244 13.072 ( 0.000 -1.764 -3.049) 3.523 13.234 ( -0.000 0.297 -8.417) 8.422 13.461 ( -0.000 1.658 -10.859) 10.984 14.361 ( 0.000 -4.890 2.417) 5.455 14.402 ( 0.000 -7.050 -0.054) 7.050 16.908 ( -0.000 5.808 10.210) 11.746 17.039 ( -0.000 2.305 3.742) 4.395 25.274 ( 0.000 -0.366 4.056) 4.072 25.315 ( 0.000 -0.574 1.638) 1.736 25.813 ( 0.000 0.883 5.300) 5.373 25.822 ( 0.000 1.707 6.577) 6.795 26.506 ( 0.000 -6.309 5.226) 8.193 26.617 ( 0.000 -8.256 11.304) 13.998 27.041 ( -0.000 5.203 -9.957) 11.235 27.350 ( -0.000 -1.287 -15.827) 15.879======================= Grid point 151 (66/171) =======================q-point: ( 0.60 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.176 ( -0.753 2.808 5.099) 5.870 1.292 ( -5.499 7.475 4.933) 10.509 1.535 ( 2.481 -2.972 -0.312) 3.884 1.580 ( 0.776 -3.006 -2.271) 3.846 1.822 ( -0.010 3.726 -2.744) 4.627 1.871 ( -1.802 3.753 -2.159) 4.689 2.215 ( 2.561 -2.331 7.724) 8.465 2.354 ( 1.692 -1.600 -6.723) 7.115 3.036 ( 2.149 2.225 17.882) 18.148 3.192 ( 4.618 0.594 9.764) 10.818 3.711 ( 3.974 1.916 -2.527) 5.084 3.863 ( -0.356 3.832 3.578) 5.255 3.898 ( 1.733 1.715 1.102) 2.676 3.978 ( -2.975 1.747 2.981) 4.560 4.318 ( 2.439 -2.582 -1.004) 3.692 4.372 ( 0.356 -0.725 -0.936) 1.237 4.427 ( -3.483 -0.517 -4.507) 5.719 4.472 ( -4.819 -0.463 -8.258) 9.572 6.287 ( 2.283 1.547 20.406) 20.591 6.594 ( 4.020 -0.393 -11.544) 12.231 8.273 ( 1.439 -3.450 4.651) 5.967 8.396 ( -2.416 -2.060 -3.173) 4.488 9.332 ( 4.261 2.911 -1.673) 5.425 9.506 ( -5.591 6.235 -5.667) 10.112 10.517 ( -6.367 1.479 -0.845) 6.591 10.702 ( -7.278 1.864 -15.187) 16.944 13.016 ( 3.972 -2.099 0.993) 4.601 13.062 ( 0.956 -0.764 3.467) 3.677 13.207 ( -0.106 2.691 3.418) 4.351 13.390 ( -1.382 2.338 -11.406) 11.725 14.305 ( 0.261 -8.453 0.881) 8.503 14.381 ( -4.202 -6.781 0.505) 7.993 17.000 ( 3.751 4.433 5.065) 7.705 17.075 ( 1.319 4.286 1.122) 4.622 25.278 ( 2.754 -0.499 1.516) 3.183 25.311 ( 1.080 -0.136 1.335) 1.723 25.750 ( 12.069 -0.035 2.617) 12.349 25.836 ( 6.176 1.861 2.701) 6.993 26.506 ( -1.129 -5.543 10.051) 11.534 26.642 ( -6.761 -9.379 -2.261) 11.781 27.030 ( 2.443 2.700 -0.830) 3.735 27.281 ( -7.240 1.266 -10.277) 12.635======================= Grid point 152 (67/171) =======================q-point: ( 0.70 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( -2.041 0.314 0.000) 2.065 1.434 ( 1.421 3.377 0.000) 3.664 1.469 ( 3.466 -1.521 -0.000) 3.785 1.559 ( -4.942 0.646 0.000) 4.984 1.852 ( -1.301 3.567 0.000) 3.797 1.919 ( -1.692 1.986 0.000) 2.609 2.199 ( 3.886 -0.320 -0.000) 3.899 2.256 ( 3.932 -0.542 -0.000) 3.969 3.037 ( 9.167 -1.973 -0.000) 9.377 3.166 ( 6.759 0.676 -0.000) 6.793 3.633 ( 5.757 -0.375 -0.000) 5.770 3.803 ( 8.672 3.061 -0.000) 9.196 3.948 ( 5.569 1.450 -0.000) 5.755 4.040 ( -9.791 3.871 0.000) 10.529 4.295 ( -1.821 -5.387 -0.000) 5.686 4.392 ( -0.688 -0.951 -0.000) 1.174 4.452 ( -5.356 1.730 0.000) 5.629 4.519 ( -7.236 2.191 0.000) 7.561 6.346 ( 5.276 0.482 -0.000) 5.298 6.437 ( 7.846 1.822 -0.000) 8.055 8.207 ( 2.520 -6.633 -0.000) 7.095 8.438 ( -4.413 0.833 0.000) 4.491 9.306 ( 1.492 2.063 0.000) 2.546 9.655 ( -7.514 7.979 0.000) 10.960 10.626 ( -10.159 -1.466 0.000) 10.265 10.838 ( -13.249 3.553 0.000) 13.717 12.905 ( 7.664 -2.903 -0.000) 8.195 13.052 ( 0.460 0.561 0.000) 0.726 13.280 ( -0.114 2.701 0.000) 2.704 13.391 ( -4.395 3.624 0.000) 5.696 14.230 ( -1.197 -9.865 -0.000) 9.938 14.390 ( -4.746 -7.185 -0.000) 8.611 16.967 ( 7.021 2.855 -0.000) 7.579 17.091 ( 3.731 5.136 0.000) 6.348 25.224 ( 4.431 0.447 -0.000) 4.454 25.295 ( 2.100 0.580 -0.000) 2.179 25.532 ( 14.662 -1.737 -0.000) 14.765 25.745 ( 7.367 0.540 -0.000) 7.387 26.601 ( -2.072 -4.017 -0.000) 4.520 26.608 ( -2.702 0.360 0.000) 2.725 26.979 ( 0.362 -5.222 -0.000) 5.234 27.392 ( -9.257 0.805 0.000) 9.292======================= Grid point 158 (68/171) =======================q-point: ( 0.20 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 5.145 -1.324 8.945) 10.404 1.225 ( -9.541 -0.897 5.735) 11.168 1.363 ( 4.195 -0.268 9.431) 10.325 1.466 ( -3.587 0.396 -1.087) 3.769 1.625 ( -1.740 -2.446 2.150) 3.693 1.845 ( -1.434 1.766 1.838) 2.925 1.927 ( -13.468 1.493 22.158) 25.972 2.189 ( 2.717 0.029 -3.382) 4.338 2.363 ( -0.023 0.290 2.406) 2.423 2.406 ( -1.620 -1.434 -0.716) 2.279 3.574 ( 8.150 -1.407 13.964) 16.230 3.639 ( 2.367 -1.045 4.619) 5.294 3.901 ( -3.897 0.675 -8.566) 9.435 3.990 ( -2.692 0.358 9.034) 9.433 4.131 ( -2.715 0.133 2.049) 3.404 4.836 ( 5.495 -0.596 -11.318) 12.596 4.941 ( 2.475 0.754 -10.120) 10.445 5.289 ( 6.709 1.798 -15.966) 17.411 5.789 ( -0.351 -1.098 6.889) 6.985 6.243 ( -11.033 0.269 -0.111) 11.036 7.974 ( -1.141 -0.489 9.697) 9.776 8.587 ( 0.555 1.327 -3.393) 3.685 9.163 ( 1.078 -0.000 2.318) 2.557 9.866 ( 2.473 -2.647 -6.406) 7.359 11.278 ( 11.453 -0.436 -3.770) 12.066 11.571 ( 4.536 -0.379 -12.986) 13.760 12.715 ( 1.568 -0.936 15.354) 15.462 12.902 ( -4.345 5.652 -7.238) 10.159 13.316 ( -0.926 -7.335 -11.977) 14.075 13.833 ( 3.173 0.520 -5.470) 6.345 14.317 ( -0.206 2.527 1.008) 2.728 14.583 ( -0.762 3.648 3.564) 5.157 16.500 ( -2.311 -1.754 8.949) 9.407 16.762 ( -2.583 -1.644 3.420) 4.591 25.092 ( -0.646 -0.700 -2.414) 2.595 25.162 ( -3.696 -0.327 -2.951) 4.740 25.188 ( -2.744 0.374 7.086) 7.608 25.549 ( 0.691 -0.903 -1.542) 1.915 25.947 ( -7.781 0.569 10.973) 13.464 26.919 ( -9.714 -2.275 -12.189) 15.751 27.144 ( 9.252 6.620 7.343) 13.541 27.797 ( 1.103 -0.576 -2.607) 2.889======================= Grid point 159 (69/171) =======================q-point: ( 0.30 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.140 ( 6.400 -1.085 11.688) 13.369 1.300 ( 8.344 -1.020 4.542) 9.554 1.457 ( -8.094 2.214 2.790) 8.843 1.525 ( -4.696 -1.530 -0.918) 5.023 1.751 ( -6.039 -1.259 8.629) 10.608 1.933 ( -5.678 1.332 6.325) 8.604 2.043 ( 3.836 -0.761 -8.647) 9.490 2.371 ( -4.530 0.671 2.280) 5.116 2.417 ( -10.662 2.261 19.284) 22.151 2.510 ( -5.023 -2.847 20.263) 21.070 3.577 ( 6.697 -1.307 17.521) 18.803 3.663 ( -0.796 -0.143 3.472) 3.564 3.885 ( -1.558 0.263 -4.845) 5.096 4.130 ( -4.662 0.555 7.792) 9.097 4.193 ( -0.000 0.299 4.719) 4.728 4.572 ( 8.338 -0.901 -20.180) 21.854 4.777 ( 4.435 0.396 -14.903) 15.554 5.001 ( 10.175 0.447 -18.291) 20.935 5.883 ( -1.265 -0.755 13.308) 13.389 6.432 ( -12.606 0.225 -1.569) 12.706 8.098 ( -1.905 0.108 12.005) 12.156 8.547 ( 1.338 0.868 -4.336) 4.620 9.189 ( -0.929 -0.233 3.939) 4.054 9.722 ( 3.730 -2.396 -9.619) 10.592 11.009 ( 15.829 -0.274 -6.482) 17.107 11.313 ( 8.702 -0.201 -20.222) 22.016 12.828 ( 0.036 -0.137 13.775) 13.775 12.962 ( -4.280 2.694 -3.267) 6.021 13.197 ( -3.404 -3.263 -11.199) 12.151 13.669 ( 5.099 -0.815 -12.379) 13.413 14.384 ( -0.291 2.830 4.686) 5.482 14.608 ( 2.528 2.644 -0.997) 3.792 16.634 ( -4.165 -1.746 12.234) 13.041 16.847 ( -4.641 -1.405 5.043) 6.996 25.118 ( -4.514 -0.230 0.596) 4.559 25.193 ( -2.757 -0.568 0.259) 2.827 25.349 ( -8.650 1.066 6.492) 10.867 25.564 ( -3.446 -1.015 1.192) 3.785 26.177 ( -7.569 0.310 12.633) 14.730 26.924 ( -7.029 -0.206 -13.382) 15.118 27.104 ( 10.523 2.972 8.035) 13.569 27.705 ( 4.110 0.294 -9.169) 10.052======================= Grid point 160 (70/171) =======================q-point: ( 0.40 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 5.457 0.000 11.380) 12.620 1.203 ( 8.336 0.000 5.795) 10.152 1.565 ( -4.114 -0.000 -1.636) 4.428 1.571 ( -4.382 -0.000 -0.977) 4.490 1.812 ( -0.268 -0.000 -1.090) 1.123 1.889 ( 4.744 -0.000 -8.231) 9.501 2.125 ( -6.304 0.000 8.199) 10.342 2.390 ( -3.822 -0.000 -6.137) 7.230 2.786 ( -4.584 0.000 23.608) 24.049 2.859 ( -11.390 0.000 28.244) 30.454 3.671 ( 0.017 0.000 16.110) 16.110 3.705 ( -1.829 0.000 0.292) 1.852 3.872 ( -1.238 -0.000 -3.396) 3.615 4.107 ( 12.625 -0.000 -5.872) 13.924 4.269 ( -4.009 0.000 7.063) 8.121 4.361 ( -2.073 -0.000 -7.059) 7.357 4.576 ( 4.407 -0.000 -13.770) 14.458 4.704 ( 8.573 -0.000 -15.422) 17.645 6.048 ( -1.744 0.000 19.398) 19.477 6.575 ( -9.816 -0.000 -6.896) 11.996 8.227 ( -1.148 0.000 10.949) 11.009 8.491 ( 1.226 -0.000 -4.514) 4.677 9.250 ( -2.256 0.000 3.649) 4.291 9.548 ( 4.275 -0.000 -11.919) 12.662 10.706 ( 15.036 -0.000 -5.337) 15.955 10.977 ( 9.312 -0.000 -21.782) 23.689 12.950 ( -2.074 0.000 9.907) 10.122 13.025 ( -2.105 0.000 3.613) 4.182 13.153 ( -4.184 -0.000 -9.592) 10.464 13.488 ( 3.008 -0.000 -12.700) 13.052 14.432 ( 1.005 0.000 3.994) 4.118 14.550 ( 3.747 -0.000 -2.578) 4.548 16.793 ( -3.545 0.000 11.445) 11.982 16.948 ( -4.203 0.000 3.013) 5.171 25.219 ( -5.947 0.000 2.060) 6.293 25.241 ( -2.665 0.000 1.616) 3.116 25.569 ( -11.062 0.000 6.027) 12.598 25.650 ( -6.623 0.000 1.810) 6.866 26.401 ( -6.370 0.000 12.789) 14.288 26.897 ( -5.106 -0.000 -14.697) 15.559 27.019 ( 12.358 0.000 11.134) 16.634 27.513 ( 6.964 -0.000 -14.602) 16.178======================= Grid point 162 (71/171) =======================q-point: (-0.40 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( -0.000 4.084 -2.235) 4.655 1.187 ( -0.000 4.084 2.235) 4.655 1.593 ( 0.000 -3.061 -1.204) 3.289 1.593 ( 0.000 -3.061 1.204) 3.289 1.789 ( -0.000 4.198 -1.563) 4.480 1.789 ( -0.000 4.198 1.563) 4.480 2.323 ( -0.000 -2.102 -7.216) 7.516 2.323 ( 0.000 -2.102 7.216) 7.516 3.168 ( -0.000 2.095 -14.188) 14.342 3.168 ( 0.000 2.095 14.188) 14.342 3.760 ( -0.000 2.105 -9.381) 9.614 3.760 ( 0.000 2.105 9.381) 9.614 3.968 ( -0.000 0.995 -4.258) 4.373 3.968 ( 0.000 0.995 4.258) 4.373 4.330 ( -0.000 -0.791 -1.076) 1.335 4.330 ( 0.000 -0.791 1.076) 1.335 4.426 ( 0.000 -0.973 -0.259) 1.007 4.426 ( 0.000 -0.973 0.259) 1.007 6.482 ( -0.000 0.385 -19.522) 19.526 6.482 ( 0.000 0.385 19.522) 19.526 8.360 ( 0.000 -2.551 -5.486) 6.050 8.360 ( 0.000 -2.551 5.486) 6.050 9.355 ( -0.000 3.611 -2.642) 4.475 9.355 ( 0.000 3.611 2.642) 4.475 10.503 ( -0.000 1.526 -10.788) 10.895 10.503 ( 0.000 1.526 10.788) 10.895 13.083 ( 0.000 -1.920 -2.827) 3.417 13.083 ( 0.000 -1.920 2.827) 3.417 13.254 ( -0.000 2.530 -11.683) 11.954 13.254 ( 0.000 2.530 11.683) 11.954 14.392 ( 0.000 -5.567 -0.969) 5.651 14.392 ( 0.000 -5.567 0.969) 5.651 17.035 ( -0.000 3.345 -3.934) 5.164 17.035 ( -0.000 3.345 3.934) 5.164 25.320 ( -0.000 -0.422 -1.080) 1.159 25.320 ( 0.000 -0.422 1.080) 1.159 25.872 ( -0.000 1.404 -0.617) 1.534 25.872 ( 0.000 1.404 0.617) 1.534 26.637 ( 0.000 -8.294 -7.812) 11.394 26.637 ( 0.000 -8.294 7.812) 11.394 27.078 ( -0.000 3.485 -13.034) 13.492 27.078 ( 0.000 3.485 13.034) 13.492======================= Grid point 169 (72/171) =======================q-point: ( 0.20 0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( -8.057 -0.174 -1.411) 8.182 1.219 ( -3.301 1.082 -0.267) 3.484 1.473 ( 2.675 -0.778 4.165) 5.011 1.533 ( -1.106 -0.480 17.372) 17.414 1.660 ( 1.605 -2.775 0.423) 3.234 1.815 ( -2.660 2.716 2.801) 4.722 1.890 ( -12.878 1.571 19.439) 23.370 2.185 ( -0.178 -0.190 -3.444) 3.454 2.254 ( -2.080 1.864 -8.514) 8.960 2.486 ( -0.925 -2.528 7.509) 7.977 3.486 ( -9.754 1.473 -12.815) 16.172 3.571 ( -13.707 1.284 -16.226) 21.280 3.923 ( 10.717 2.021 10.457) 15.109 4.124 ( 4.960 2.754 12.380) 13.618 4.150 ( -1.283 -1.659 7.044) 7.350 4.866 ( 7.045 -2.192 -6.655) 9.936 4.907 ( 3.652 -0.844 -7.687) 8.553 5.239 ( 5.434 -0.427 -13.380) 14.448 5.779 ( -6.418 -0.175 0.291) 6.427 6.077 ( -8.580 -3.126 -3.063) 9.631 8.021 ( -1.280 2.697 6.606) 7.249 8.558 ( -0.246 -1.053 -2.542) 2.763 9.284 ( 7.277 2.338 10.681) 13.134 9.947 ( 5.858 -4.040 1.632) 7.300 11.417 ( 9.118 1.676 -0.198) 9.273 11.603 ( 8.542 -2.127 -4.286) 9.791 12.651 ( -5.328 7.945 -8.148) 12.566 12.944 ( 4.031 -0.578 13.903) 14.487 13.321 ( 2.548 -10.698 -8.451) 13.869 13.840 ( 3.903 0.438 -4.415) 5.909 14.295 ( -0.697 2.634 1.354) 3.043 14.557 ( -1.842 3.391 2.753) 4.740 16.513 ( -3.512 0.824 3.554) 5.065 16.732 ( -4.618 -1.440 -0.966) 4.933 25.047 ( -3.270 0.110 -4.881) 5.876 25.074 ( -0.939 -1.395 -2.799) 3.265 25.238 ( 0.341 0.175 5.189) 5.203 25.553 ( 1.059 -1.825 -3.189) 3.824 25.908 ( -8.921 0.697 10.529) 13.818 26.669 ( -11.786 -4.726 -13.370) 18.439 27.289 ( 8.887 7.066 7.888) 13.825 27.810 ( 1.946 -0.725 -1.812) 2.756======================= Grid point 170 (73/171) =======================q-point: ( 0.30 0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( -7.857 1.992 0.541) 8.123 1.282 ( -2.603 -0.115 4.062) 4.826 1.454 ( 2.588 0.651 2.283) 3.512 1.572 ( 3.783 -3.910 4.138) 6.835 1.773 ( -4.939 -1.548 13.597) 14.549 1.895 ( -3.616 2.013 4.753) 6.302 2.036 ( 2.451 -1.211 -6.035) 6.626 2.235 ( -5.432 0.803 -8.650) 10.246 2.431 ( -13.007 2.882 25.401) 28.683 2.612 ( -6.392 -2.500 16.207) 17.600 3.541 ( -9.276 0.454 -10.576) 14.075 3.642 ( -12.570 -0.055 -15.346) 19.837 3.878 ( 10.860 2.493 13.166) 17.248 4.207 ( 2.512 3.188 13.177) 13.788 4.238 ( -2.152 -0.594 8.168) 8.468 4.591 ( 11.635 -2.793 -14.818) 19.046 4.741 ( 5.584 -1.936 -10.608) 12.143 4.973 ( 8.712 0.184 -18.742) 20.668 5.919 ( -7.491 -1.116 7.842) 10.902 6.201 ( -12.913 -1.188 -4.795) 13.826 8.149 ( -2.370 2.805 9.162) 9.871 8.515 ( 0.302 -1.047 -4.558) 4.687 9.298 ( 6.107 2.150 11.378) 13.091 9.793 ( 7.296 -5.501 -3.089) 9.645 11.205 ( 15.924 1.637 -4.733) 16.693 11.349 ( 12.910 -1.769 -10.169) 16.529 12.760 ( -6.411 6.018 -3.282) 9.385 13.006 ( 1.579 0.313 8.455) 8.607 13.155 ( 0.735 -7.815 -1.605) 8.012 13.656 ( 6.106 -2.210 -13.143) 14.659 14.382 ( -0.422 5.349 5.137) 7.428 14.596 ( 1.006 3.158 -1.602) 3.681 16.647 ( -6.347 -0.175 7.005) 9.454 16.808 ( -6.499 -2.685 1.516) 7.193 25.059 ( -3.507 -1.015 -0.967) 3.777 25.102 ( -6.078 -0.631 -3.035) 6.823 25.312 ( -2.668 1.818 5.787) 6.627 25.531 ( -2.738 -2.276 -0.908) 3.674 26.163 ( -9.162 0.022 13.365) 16.204 26.681 ( -9.759 -2.377 -14.416) 17.570 27.284 ( 9.328 7.127 8.000) 14.206 27.713 ( 5.060 -1.090 -6.131) 8.023======================= Grid point 171 (74/171) =======================q-point: ( 0.40 0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( 3.370 0.834 4.364) 5.576 1.341 ( 1.644 -1.589 1.198) 2.581 1.479 ( -2.604 2.969 0.814) 4.033 1.537 ( -1.141 -2.988 1.127) 3.391 1.830 ( 1.839 -0.866 2.013) 2.860 1.903 ( 4.223 -1.228 -5.843) 7.313 2.091 ( -7.034 0.886 9.428) 11.796 2.250 ( -5.615 0.488 -8.327) 10.055 2.856 ( -11.020 2.377 19.534) 22.554 2.908 ( -11.088 -1.920 18.636) 21.770 3.597 ( -7.494 0.200 -6.072) 9.647 3.689 ( -10.229 -0.172 -14.054) 17.383 3.876 ( 7.708 1.191 15.548) 17.395 4.198 ( 12.113 -0.544 -15.283) 19.508 4.336 ( -1.173 -0.029 8.538) 8.618 4.351 ( 0.893 -0.232 10.432) 10.473 4.544 ( 5.337 -1.317 -9.477) 10.956 4.680 ( 7.923 0.116 -17.407) 19.125 6.123 ( -7.638 -0.630 13.254) 15.310 6.330 ( -11.811 -0.300 -9.500) 15.161 8.288 ( -1.671 2.316 8.891) 9.338 8.454 ( 0.294 -0.903 -5.882) 5.958 9.332 ( 4.773 2.582 10.056) 11.427 9.576 ( 7.419 -5.285 -7.695) 11.924 10.921 ( 16.933 1.600 -2.611) 17.207 11.020 ( 14.570 -1.761 -10.549) 18.074 12.892 ( -5.923 3.396 1.104) 6.916 13.016 ( -3.387 -1.743 -5.450) 6.649 13.157 ( 2.047 -1.599 13.740) 13.983 13.430 ( 4.191 -1.917 -14.168) 14.899 14.467 ( 1.057 4.361 4.131) 6.099 14.566 ( 2.440 1.085 -3.042) 4.048 16.805 ( -5.926 -0.019 6.503) 8.798 16.890 ( -5.901 -2.443 -0.130) 6.388 25.135 ( -6.224 0.123 1.204) 6.341 25.173 ( -6.462 -1.172 -1.513) 6.740 25.458 ( -6.953 3.373 4.431) 8.908 25.567 ( -5.891 -3.053 -0.705) 6.672 26.415 ( -7.545 -0.162 14.154) 16.040 26.672 ( -7.390 -0.579 -14.735) 16.495 27.271 ( 10.079 5.592 9.595) 14.998 27.523 ( 8.133 -2.190 -10.147) 13.187======================= Grid point 172 (75/171) =======================q-point: (-0.50 -0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 5.581 0.000 -0.292) 5.588 1.258 ( 5.581 0.000 0.292) 5.588 1.560 ( -3.475 0.000 -0.150) 3.478 1.560 ( -3.475 0.000 0.150) 3.478 1.799 ( 3.107 0.000 -0.981) 3.258 1.799 ( 3.107 0.000 0.981) 3.258 2.265 ( -4.952 -0.000 -7.651) 9.114 2.265 ( -4.952 0.000 7.651) 9.114 3.112 ( -5.638 -0.000 -6.808) 8.840 3.112 ( -5.638 0.000 6.808) 8.840 3.694 ( -3.641 -0.000 -8.021) 8.809 3.694 ( -3.641 0.000 8.021) 8.809 3.932 ( 2.139 -0.000 -11.519) 11.716 3.932 ( 2.139 0.000 11.519) 11.716 4.405 ( 1.751 -0.000 -6.515) 6.746 4.405 ( 1.751 0.000 6.515) 6.746 4.447 ( 3.060 -0.000 -12.718) 13.081 4.447 ( 3.060 0.000 12.718) 13.081 6.368 ( -7.151 -0.000 -15.813) 17.355 6.368 ( -7.151 0.000 15.813) 17.355 8.388 ( -0.107 -0.000 -7.121) 7.122 8.388 ( -0.107 0.000 7.121) 7.122 9.369 ( 3.971 -0.000 -8.124) 9.043 9.369 ( 3.971 0.000 8.124) 9.043 10.710 ( 13.045 -0.000 -7.045) 14.826 10.710 ( 13.045 0.000 7.045) 14.826 13.021 ( -4.686 -0.000 -4.900) 6.780 13.021 ( -4.686 0.000 4.900) 6.780 13.249 ( 1.768 -0.000 -14.174) 14.284 13.249 ( 1.768 0.000 14.174) 14.284 14.497 ( 2.502 -0.000 -2.988) 3.897 14.497 ( 2.502 0.000 2.988) 3.897 16.935 ( -4.222 -0.000 -4.322) 6.042 16.935 ( -4.222 0.000 4.322) 6.042 25.246 ( -5.185 0.000 -0.506) 5.210 25.246 ( -5.185 0.000 0.506) 5.210 25.646 ( -9.312 0.000 -1.630) 9.454 25.646 ( -9.312 0.000 1.630) 9.454 26.639 ( -5.227 -0.000 -14.175) 15.108 26.639 ( -5.227 0.000 14.175) 15.108 27.251 ( 10.168 -0.000 -13.888) 17.212 27.251 ( 10.168 0.000 13.888) 17.212======================= Grid point 180 (76/171) =======================q-point: ( 0.20 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( -6.282 -0.508 -0.462) 6.320 1.103 ( -6.016 2.705 -3.311) 7.380 1.545 ( -0.905 0.874 5.248) 5.396 1.642 ( 0.033 0.929 8.850) 8.899 1.691 ( -2.579 -1.314 0.914) 3.036 1.776 ( -2.825 1.906 5.692) 6.634 1.855 ( -10.362 0.240 16.843) 19.776 2.104 ( -2.362 1.027 -6.130) 6.649 2.160 ( -1.770 1.719 -5.499) 6.027 2.533 ( -2.081 -2.587 2.322) 4.052 3.091 ( -17.771 2.023 -21.963) 28.324 3.195 ( -14.128 0.700 -14.627) 20.348 4.075 ( 3.356 3.285 5.736) 7.413 4.206 ( 6.670 8.534 4.950) 11.909 4.295 ( 3.071 -1.396 7.852) 8.546 4.949 ( 1.639 -2.764 0.207) 3.220 4.967 ( 9.727 -1.954 -2.117) 10.144 5.254 ( 6.455 -4.807 -8.796) 11.923 5.641 ( -6.836 0.026 -2.375) 7.237 6.003 ( -4.525 -7.300 -3.066) 9.120 7.995 ( -1.563 6.412 2.371) 7.012 8.556 ( -0.790 -3.415 -1.143) 3.687 9.484 ( 8.477 4.044 10.891) 14.381 10.117 ( 6.283 -5.047 4.332) 9.149 11.543 ( 7.608 2.944 5.959) 10.103 11.784 ( 11.447 -2.626 3.082) 12.142 12.398 ( -6.025 9.465 -10.306) 15.235 13.136 ( 5.786 -1.705 9.825) 11.529 13.436 ( 4.975 -10.731 -2.723) 12.138 13.869 ( 4.730 -0.427 -4.030) 6.229 14.277 ( -0.779 2.580 3.058) 4.076 14.520 ( -1.906 2.679 2.471) 4.113 16.444 ( -3.823 3.719 -1.039) 5.434 16.626 ( -6.901 -0.395 -4.780) 8.404 24.961 ( -1.721 0.530 -4.378) 4.734 25.062 ( -0.111 -2.235 -2.497) 3.353 25.282 ( 1.174 0.450 2.555) 2.848 25.568 ( 1.716 -3.015 -2.696) 4.393 25.839 ( -9.904 1.186 8.527) 13.123 26.418 ( -12.749 -7.979 -13.192) 20.005 27.427 ( 8.435 5.763 6.557) 12.139 27.828 ( 1.514 0.270 -1.228) 1.968======================= Grid point 181 (77/171) =======================q-point: ( 0.30 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( -8.647 1.340 1.494) 8.876 1.205 ( -7.130 0.892 -0.878) 7.239 1.550 ( 4.764 -0.055 3.368) 5.835 1.661 ( 1.178 -3.473 -0.181) 3.671 1.819 ( -7.514 3.211 9.955) 12.879 1.885 ( -0.905 -0.525 8.129) 8.196 2.022 ( -0.359 -0.472 -4.261) 4.302 2.074 ( -3.139 0.253 -8.785) 9.332 2.394 ( -13.737 3.169 19.499) 24.062 2.623 ( -8.195 -1.555 5.801) 10.160 3.210 ( -16.736 1.279 -14.358) 22.088 3.293 ( -14.269 -1.049 -12.393) 18.929 4.070 ( 10.674 9.619 5.231) 15.291 4.268 ( -1.068 2.832 5.947) 6.673 4.324 ( 0.354 -0.257 6.116) 6.132 4.724 ( 14.749 -2.679 -4.056) 15.529 4.831 ( 7.059 -5.154 -1.046) 8.802 4.976 ( 10.109 -2.716 -13.970) 17.457 5.796 ( -12.904 0.576 1.034) 12.958 6.032 ( -8.500 -5.738 -1.676) 10.392 8.120 ( -2.836 6.685 3.607) 8.109 8.512 ( -0.224 -4.417 -1.964) 4.839 9.479 ( 8.456 4.676 8.315) 12.748 9.967 ( 8.060 -7.545 0.054) 11.040 11.395 ( 15.778 2.970 -1.337) 16.111 11.552 ( 15.648 -2.447 -1.413) 15.901 12.546 ( -8.506 8.644 -3.030) 12.500 13.084 ( 2.741 -5.347 -0.007) 6.009 13.306 ( 4.766 -4.197 7.678) 9.964 13.678 ( 6.752 -4.396 -10.359) 13.123 14.366 ( 0.217 6.757 4.229) 7.974 14.560 ( -0.014 2.826 -1.421) 3.163 16.570 ( -7.365 1.919 2.201) 7.923 16.719 ( -8.777 -2.503 -0.531) 9.142 24.984 ( -4.466 0.054 -1.903) 4.855 25.035 ( -1.746 -2.154 -1.283) 3.055 25.308 ( -0.519 1.641 2.298) 2.871 25.514 ( -1.209 -3.259 -1.200) 3.677 26.116 ( -11.815 0.506 11.814) 16.716 26.427 ( -10.973 -5.091 -12.809) 17.618 27.406 ( 8.672 7.869 4.438) 12.523 27.762 ( 4.383 -1.006 -2.501) 5.146======================= Grid point 182 (78/171) =======================q-point: (-0.60 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( -6.866 2.602 0.000) 7.343 1.310 ( -5.750 -0.164 0.000) 5.752 1.490 ( 4.788 1.206 -0.000) 4.938 1.599 ( 2.039 -4.353 -0.000) 4.807 1.904 ( 3.174 -0.382 -0.000) 3.197 1.936 ( 2.298 -2.044 -0.000) 3.076 2.054 ( -8.157 1.545 0.000) 8.302 2.077 ( -4.475 0.722 0.000) 4.533 2.733 ( -13.134 3.151 0.000) 13.507 2.825 ( -12.594 -1.264 0.000) 12.657 3.394 ( -14.093 0.367 0.000) 14.098 3.426 ( -13.087 -1.482 0.000) 13.171 4.032 ( 9.576 9.895 0.000) 13.769 4.357 ( 1.151 -3.592 -0.000) 3.772 4.359 ( -1.889 2.473 0.000) 3.112 4.407 ( 13.879 -3.127 -0.000) 14.227 4.689 ( 10.855 -2.353 -0.000) 11.107 4.691 ( 7.585 -2.613 -0.000) 8.022 6.035 ( -14.367 0.613 0.000) 14.380 6.111 ( -8.829 -3.311 0.000) 9.429 8.250 ( -2.823 6.620 0.000) 7.196 8.457 ( 0.113 -4.675 -0.000) 4.676 9.444 ( 7.720 5.729 -0.000) 9.613 9.746 ( 9.069 -9.268 -0.000) 12.967 11.147 ( 17.687 3.213 -0.000) 17.976 11.259 ( 17.108 -2.826 -0.000) 17.340 12.736 ( -7.757 6.890 0.000) 10.375 13.001 ( -0.552 -6.116 -0.000) 6.141 13.289 ( 3.594 1.231 -0.000) 3.799 13.461 ( 6.090 -6.204 -0.000) 8.693 14.446 ( 0.890 7.448 0.000) 7.501 14.564 ( 0.833 1.512 0.000) 1.726 16.717 ( -7.630 1.282 0.000) 7.737 16.817 ( -7.664 -3.876 0.000) 8.588 25.061 ( -4.272 -0.989 0.000) 4.385 25.064 ( -7.002 -0.907 0.000) 7.060 25.369 ( -2.844 3.557 0.000) 4.554 25.519 ( -4.094 -3.825 0.000) 5.603 26.385 ( -11.135 0.706 0.000) 11.157 26.449 ( -8.224 -3.415 0.000) 8.905 27.377 ( 8.643 9.489 0.000) 12.835 27.636 ( 7.177 -3.464 -0.000) 7.969======================= Grid point 191 (79/171) =======================q-point: ( 0.20 -0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.873 ( -7.901 1.233 3.040) 8.555 0.941 ( -6.484 4.440 -3.768) 8.715 1.452 ( -7.977 4.972 -3.689) 10.097 1.636 ( -2.902 1.577 5.700) 6.588 1.731 ( -0.422 -2.242 4.512) 5.056 1.763 ( -4.334 1.466 6.102) 7.627 1.880 ( -4.547 -1.659 11.221) 12.220 1.989 ( -4.296 1.384 -11.373) 12.236 2.055 ( -4.430 2.534 2.502) 5.684 2.386 ( -14.586 -0.950 -23.400) 27.590 2.701 ( -6.483 0.555 -2.109) 6.840 2.896 ( -11.857 -1.025 -6.996) 13.805 4.089 ( -3.838 -0.229 2.579) 4.630 4.274 ( 12.987 16.833 2.009) 21.356 4.381 ( 2.292 -2.057 0.972) 3.229 4.930 ( -5.829 -0.380 -0.134) 5.843 5.178 ( 11.108 -2.905 5.682) 12.811 5.368 ( 5.289 -9.708 -2.986) 11.452 5.604 ( 1.401 -2.496 0.506) 2.906 6.002 ( -1.228 -8.787 -3.334) 9.479 7.907 ( -1.810 8.441 -0.181) 8.635 8.568 ( -1.153 -3.235 -0.203) 3.440 9.629 ( 5.040 3.590 5.358) 8.185 10.285 ( 4.698 -5.193 2.774) 7.532 11.706 ( 5.574 3.662 13.575) 15.125 12.021 ( 10.724 -1.575 2.768) 11.187 12.119 ( -4.641 8.878 -11.816) 15.491 13.333 ( 7.709 -3.355 5.565) 10.082 13.594 ( 4.876 -8.216 -0.397) 9.562 13.919 ( 4.156 -2.021 -3.387) 5.730 14.280 ( 0.158 3.016 4.319) 5.270 14.505 ( -0.535 1.434 3.252) 3.594 16.323 ( -2.125 7.197 -2.725) 7.984 16.449 ( -8.631 1.067 -6.426) 10.813 24.910 ( -0.118 0.677 -2.689) 2.776 25.068 ( 0.224 -2.342 -1.181) 2.632 25.306 ( 0.999 0.719 0.236) 1.253 25.620 ( 0.900 -3.809 1.885) 4.344 25.730 ( -7.834 1.190 1.477) 8.061 26.200 ( -14.046 -11.580 -9.329) 20.456 27.555 ( 7.696 3.949 4.067) 9.558 27.824 ( 0.419 1.679 -1.027) 2.012======================= Grid point 192 (80/171) =======================q-point: ( 0.30 -0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( -6.060 -0.262 0.000) 6.066 1.064 ( -8.066 2.098 0.000) 8.334 1.630 ( -8.794 3.257 0.000) 9.378 1.634 ( 3.572 0.351 -0.000) 3.589 1.729 ( -1.038 -0.450 0.000) 1.131 1.948 ( -3.849 1.144 0.000) 4.015 1.959 ( -2.853 -0.541 0.000) 2.904 1.975 ( -2.464 0.263 0.000) 2.478 2.287 ( -10.453 2.439 0.000) 10.734 2.468 ( -13.723 -1.372 0.000) 13.792 2.854 ( -14.929 2.484 0.000) 15.134 3.040 ( -13.311 -2.218 0.000) 13.494 4.142 ( 4.494 6.762 0.000) 8.119 4.256 ( 5.374 10.035 0.000) 11.383 4.347 ( 0.019 -1.998 -0.000) 1.998 4.949 ( 2.403 -3.828 -0.000) 4.519 4.982 ( 14.535 -0.437 -0.000) 14.542 5.124 ( 10.685 -7.573 -0.000) 13.096 5.624 ( -7.403 -1.057 0.000) 7.478 5.979 ( -6.536 -8.366 -0.000) 10.617 8.020 ( -2.634 8.031 0.000) 8.452 8.543 ( -0.655 -4.660 -0.000) 4.706 9.596 ( 7.462 4.728 -0.000) 8.834 10.154 ( 6.506 -7.013 -0.000) 9.566 11.608 ( 14.519 2.756 -0.000) 14.779 11.812 ( 14.925 -2.055 -0.000) 15.066 12.297 ( -9.971 10.111 0.000) 14.201 13.205 ( 5.343 -6.283 -0.000) 8.247 13.461 ( 5.805 -3.931 -0.000) 7.011 13.779 ( 6.150 -5.080 -0.000) 7.977 14.334 ( 0.994 6.363 0.000) 6.440 14.530 ( 0.084 2.167 0.000) 2.168 16.439 ( -6.432 4.221 0.000) 7.694 16.580 ( -10.388 -0.999 0.000) 10.436 24.921 ( -2.118 0.567 0.000) 2.193 25.038 ( -0.349 -2.717 -0.000) 2.739 25.305 ( 0.503 1.058 0.000) 1.171 25.543 ( 1.570 -3.877 -0.000) 4.183 25.960 ( -13.428 2.101 0.000) 13.591 26.257 ( -11.831 -9.161 0.000) 14.963 27.493 ( 8.498 6.080 -0.000) 10.449 27.808 ( 2.477 0.618 -0.000) 2.553======================= Grid point 201 (81/171) =======================q-point: ( 0.20 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( -8.350 8.478 0.000) 11.899 0.746 ( -12.626 2.896 0.000) 12.953 1.202 ( -12.660 9.828 0.000) 16.027 1.627 ( -11.298 2.564 0.000) 11.585 1.644 ( -1.581 -0.255 0.000) 1.601 1.770 ( 0.118 -1.805 -0.000) 1.809 1.851 ( -1.793 -1.939 -0.000) 2.641 1.882 ( -16.682 0.375 0.000) 16.686 1.940 ( 0.614 -0.509 -0.000) 0.798 2.076 ( -2.868 1.312 0.000) 3.154 2.694 ( 0.729 -1.778 -0.000) 1.922 2.712 ( -9.488 -1.022 0.000) 9.543 4.034 ( -5.251 -2.146 0.000) 5.673 4.327 ( 14.365 19.109 0.000) 23.906 4.440 ( 3.235 -0.266 -0.000) 3.246 4.829 ( -7.120 -2.339 0.000) 7.494 5.419 ( 11.205 -2.531 -0.000) 11.487 5.477 ( -6.341 -15.281 -0.000) 16.545 5.674 ( 2.781 -2.230 -0.000) 3.565 6.102 ( 6.902 -7.621 -0.000) 10.282 7.793 ( -1.729 9.355 0.000) 9.514 8.572 ( -1.309 -1.848 -0.000) 2.265 9.661 ( -1.183 1.246 0.000) 1.718 10.400 ( 2.879 -4.299 -0.000) 5.174 11.796 ( -7.656 10.780 0.000) 13.222 11.895 ( 6.559 1.829 -0.000) 6.810 12.230 ( 8.429 -1.880 -0.000) 8.636 13.516 ( 8.446 -2.367 -0.000) 8.771 13.721 ( 2.649 -7.808 -0.000) 8.245 13.969 ( 1.361 -2.631 -0.000) 2.962 14.287 ( 0.871 2.613 0.000) 2.755 14.526 ( 1.058 0.221 -0.000) 1.081 16.243 ( 6.009 11.752 0.000) 13.199 16.257 ( -8.685 1.951 0.000) 8.901 24.899 ( 0.979 0.501 -0.000) 1.100 25.089 ( 0.476 -1.969 -0.000) 2.025 25.306 ( 0.192 0.988 0.000) 1.006 25.559 ( -8.910 1.888 0.000) 9.108 25.735 ( 1.355 -7.487 -0.000) 7.609 26.042 ( -14.670 -12.112 0.000) 19.024 27.655 ( 6.126 2.254 -0.000) 6.527 27.795 ( -0.618 2.636 0.000) 2.707======================= Grid point 211 (82/171) =======================q-point: ( 0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.414 ( -0.000 10.713 0.000) 10.713 0.466 ( -0.000 12.163 0.000) 12.163 0.946 ( -0.000 23.774 0.000) 23.774 1.379 ( 0.000 -2.441 -0.000) 2.441 1.606 ( 0.000 -0.932 -0.000) 0.932 1.643 ( -0.000 4.332 0.000) 4.332 1.800 ( 0.000 -1.570 -0.000) 1.570 1.862 ( 0.000 -3.161 -0.000) 3.161 1.943 ( 0.000 -3.652 -0.000) 3.652 2.034 ( -0.000 2.764 0.000) 2.764 2.548 ( 0.000 -0.117 -0.000) 0.117 2.702 ( 0.000 -3.613 -0.000) 3.613 3.915 ( 0.000 -3.215 -0.000) 3.215 4.533 ( -0.000 5.495 0.000) 5.495 4.676 ( 0.000 -9.099 -0.000) 9.099 4.711 ( -0.000 11.646 0.000) 11.646 5.121 ( 0.000 -6.050 -0.000) 6.050 5.635 ( 0.000 -2.347 -0.000) 2.347 5.695 ( 0.000 -2.614 -0.000) 2.614 6.331 ( 0.000 -8.674 -0.000) 8.674 7.778 ( -0.000 11.327 0.000) 11.327 8.550 ( 0.000 -0.890 -0.000) 0.890 9.532 ( -0.000 7.711 0.000) 7.711 10.445 ( 0.000 -4.056 -0.000) 4.056 11.693 ( -0.000 13.235 0.000) 13.235 11.991 ( -0.000 1.930 0.000) 1.930 12.354 ( 0.000 -2.477 -0.000) 2.477 13.700 ( -0.000 0.800 0.000) 0.800 13.725 ( 0.000 -12.080 -0.000) 12.080 13.935 ( 0.000 -3.201 -0.000) 3.201 14.309 ( -0.000 3.219 0.000) 3.219 14.543 ( 0.000 -0.808 -0.000) 0.808 16.113 ( -0.000 3.382 0.000) 3.382 16.524 ( 0.000 -2.459 -0.000) 2.459 24.924 ( -0.000 0.199 0.000) 0.199 25.101 ( 0.000 -1.761 -0.000) 1.761 25.307 ( -0.000 1.712 0.000) 1.712 25.415 ( -0.000 1.930 0.000) 1.930 25.455 ( 0.000 -0.519 -0.000) 0.519 25.962 ( 0.000 -4.454 -0.000) 4.454 27.752 ( -0.000 1.249 0.000) 1.249 27.764 ( -0.000 1.242 0.000) 1.242======================= Grid point 212 (83/171) =======================q-point: ( 0.30 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( -5.270 9.347 4.680) 11.706 0.723 ( -7.671 7.540 10.225) 14.841 1.255 ( -4.386 16.008 11.357) 20.112 1.472 ( -4.894 -1.535 5.756) 7.710 1.670 ( -4.727 -0.201 12.864) 13.706 1.727 ( -1.301 2.128 0.678) 2.584 1.777 ( -1.110 -0.495 0.719) 1.412 1.827 ( -1.026 -2.384 0.979) 2.773 1.955 ( -2.526 -2.027 7.169) 7.867 2.075 ( -2.170 1.772 3.636) 4.590 2.579 ( -4.632 -0.763 -1.963) 5.088 2.682 ( -1.341 -3.563 2.814) 4.734 3.934 ( -4.262 -1.204 -0.072) 4.430 4.495 ( 5.140 -3.233 -0.472) 6.091 4.677 ( 6.534 10.338 -2.936) 12.577 4.705 ( -1.934 2.876 1.595) 3.815 5.144 ( -11.315 -6.814 -10.536) 16.895 5.532 ( 6.756 -3.778 -2.044) 8.006 5.672 ( 0.021 -2.154 -2.231) 3.101 6.171 ( 7.762 -8.376 1.209) 11.484 7.892 ( 0.488 11.208 2.268) 11.445 8.540 ( -0.466 -1.789 -0.414) 1.894 9.644 ( -3.148 6.870 -0.853) 7.604 10.383 ( 1.548 -4.958 -2.114) 5.608 11.723 ( -0.680 11.221 -19.140) 22.197 12.098 ( 1.384 6.179 16.856) 18.006 12.262 ( 3.430 -2.905 -8.693) 9.787 13.552 ( 5.200 -10.304 -2.887) 11.897 13.705 ( 2.052 -3.296 1.430) 4.138 13.937 ( -2.584 -4.298 3.264) 5.984 14.280 ( 0.534 3.291 -11.504) 11.977 14.473 ( -1.061 -0.481 -12.642) 12.695 16.229 ( -3.398 3.477 10.457) 11.532 16.470 ( 6.853 2.409 8.087) 10.870 24.930 ( 0.733 0.438 2.448) 2.592 25.082 ( 0.559 -1.945 0.966) 2.242 25.334 ( 0.719 1.710 2.489) 3.104 25.462 ( -2.828 1.364 -0.385) 3.163 25.612 ( -10.647 -5.548 12.225) 17.135 25.914 ( 0.456 -4.911 2.889) 5.716 27.723 ( 3.024 1.827 -4.032) 5.361 27.789 ( -1.881 0.747 -0.537) 2.094======================= Grid point 213 (84/171) =======================q-point: ( 0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( -3.991 6.074 7.809) 10.668 0.941 ( -4.284 4.966 7.087) 9.655 1.479 ( -2.267 3.850 -0.942) 4.566 1.519 ( -1.563 1.844 6.603) 7.031 1.656 ( 1.829 -0.742 -4.362) 4.787 1.744 ( 0.798 -0.472 -0.572) 1.089 1.803 ( 1.138 -0.778 -0.822) 1.605 2.034 ( -6.959 2.120 13.116) 14.999 2.057 ( -0.738 1.163 5.887) 6.046 2.379 ( -14.379 0.507 25.890) 29.619 2.607 ( -6.240 -0.954 -0.029) 6.313 2.806 ( -9.824 -1.031 11.481) 15.146 3.991 ( -4.220 -0.204 -2.210) 4.768 4.382 ( 2.914 -4.301 -1.925) 5.540 4.586 ( 12.207 13.175 -6.921) 19.248 4.836 ( -7.180 0.787 1.317) 7.342 5.104 ( -3.149 -4.415 -11.503) 12.717 5.371 ( 4.428 -4.219 -3.530) 7.062 5.620 ( 1.816 -1.028 -0.175) 2.094 6.025 ( 5.977 -8.500 8.809) 13.622 7.995 ( 1.336 9.283 1.611) 9.516 8.526 ( -0.832 -2.828 0.024) 2.948 9.685 ( 3.059 6.361 -5.382) 8.876 10.269 ( 3.209 -4.976 -4.452) 7.409 11.635 ( 0.126 7.708 -19.639) 21.098 12.056 ( 5.697 -3.458 -13.344) 14.916 12.317 ( 0.081 9.867 16.455) 19.187 13.336 ( 6.320 -7.083 -6.755) 11.651 13.594 ( 5.023 -7.870 -0.578) 9.354 13.968 ( 0.609 -2.755 4.448) 5.268 14.187 ( -3.717 1.355 -15.471) 15.969 14.411 ( -4.665 0.677 -10.886) 11.862 16.409 ( -1.122 3.699 11.654) 12.278 16.526 ( 2.601 3.124 14.030) 14.608 24.957 ( 0.661 0.589 4.800) 4.881 25.070 ( 0.533 -1.879 2.413) 3.105 25.344 ( 2.327 1.061 1.246) 2.844 25.524 ( -3.956 1.193 -0.756) 4.201 25.725 ( 0.772 -4.561 6.842) 8.259 26.007 ( -11.564 -6.820 11.454) 17.648 27.635 ( 4.808 2.855 -6.631) 8.674 27.813 ( -2.101 -0.269 -1.938) 2.870======================= Grid point 214 (85/171) =======================q-point: ( 0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( -0.760 3.072 12.167) 12.572 1.092 ( -3.006 1.933 7.247) 8.080 1.463 ( -2.103 0.407 -10.056) 10.282 1.580 ( -0.279 -1.509 -2.546) 2.973 1.591 ( 2.093 0.890 -2.200) 3.164 1.750 ( 1.785 1.019 -1.131) 2.346 1.777 ( -0.440 1.859 2.400) 3.068 2.129 ( -1.950 0.469 4.921) 5.314 2.212 ( -2.330 1.540 9.081) 9.501 2.486 ( 0.793 -2.190 -1.318) 2.677 3.046 ( -18.316 2.284 26.458) 32.260 3.135 ( -13.775 0.741 18.925) 23.419 4.011 ( -2.519 -0.421 -4.000) 4.746 4.267 ( 4.523 -2.387 -7.069) 8.725 4.405 ( 12.988 8.066 -12.533) 19.769 4.911 ( -3.167 -1.281 -2.638) 4.316 5.009 ( 0.283 -2.244 -4.911) 5.407 5.288 ( -0.764 -2.652 -0.996) 2.934 5.649 ( -0.758 2.708 7.837) 8.326 5.978 ( 2.272 -7.571 11.150) 13.668 8.036 ( 2.335 5.419 -1.956) 6.216 8.524 ( -1.468 -2.252 1.507) 3.081 9.567 ( 9.156 5.137 -10.898) 15.132 10.123 ( 4.701 -3.478 -5.229) 7.845 11.542 ( 0.109 5.290 -13.826) 14.804 11.820 ( 5.038 -3.876 -11.361) 13.018 12.552 ( -1.044 10.398 12.995) 16.676 13.115 ( 6.324 -2.290 -11.083) 12.964 13.433 ( 4.452 -12.142 3.770) 13.471 13.922 ( 2.104 1.419 -5.651) 6.195 14.193 ( -6.721 -1.953 -3.226) 7.707 14.421 ( -6.313 1.241 -9.111) 11.154 16.512 ( 2.970 3.230 8.171) 9.274 16.654 ( 0.047 1.283 12.208) 12.275 25.003 ( 0.156 0.347 5.886) 5.899 25.077 ( 0.308 -1.363 3.985) 4.223 25.300 ( 3.625 0.237 -1.615) 3.976 25.586 ( -1.887 1.109 1.757) 2.806 25.721 ( 0.006 -2.471 3.078) 3.947 26.262 ( -13.843 -5.818 12.915) 19.806 27.519 ( 5.837 4.102 -7.877) 10.628 27.812 ( -1.690 -1.413 -3.155) 3.848======================= Grid point 215 (86/171) =======================q-point: ( 0.60 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 1.722 1.546 16.076) 16.242 1.198 ( -1.970 0.040 5.284) 5.639 1.379 ( 0.477 -0.066 -11.408) 11.418 1.484 ( 3.367 -0.647 -5.312) 6.322 1.599 ( -4.807 -0.193 -5.746) 7.494 1.695 ( 3.826 -0.728 0.292) 3.906 1.830 ( -0.270 2.571 0.889) 2.733 2.193 ( -1.785 -0.125 1.810) 2.545 2.336 ( -0.906 1.698 10.285) 10.463 2.430 ( 1.522 -1.366 -3.005) 3.635 3.482 ( -9.382 1.660 16.285) 18.867 3.526 ( -12.978 1.108 18.155) 22.345 3.977 ( 5.275 1.021 -8.498) 10.054 4.071 ( 3.129 -3.004 -7.288) 8.481 4.136 ( 9.608 1.609 -15.865) 18.617 4.923 ( -2.451 -0.481 -0.412) 2.531 4.965 ( 0.592 -1.231 -0.172) 1.377 5.320 ( -3.789 -0.143 2.079) 4.324 5.781 ( -0.176 3.012 9.048) 9.538 6.013 ( -2.081 -4.071 10.150) 11.132 7.989 ( 2.580 1.022 -5.906) 6.526 8.560 ( -1.957 -0.114 2.815) 3.430 9.349 ( 9.724 2.798 -10.339) 14.466 9.987 ( 4.686 -1.682 -2.058) 5.388 11.477 ( 1.182 2.421 -8.193) 8.624 11.666 ( 1.566 -2.385 -3.409) 4.446 12.736 ( -0.543 5.321 2.356) 5.844 12.921 ( 5.606 3.549 -6.868) 9.549 13.326 ( 1.478 -12.094 9.031) 15.166 13.869 ( -0.516 2.108 -6.879) 7.213 14.259 ( -4.528 -1.632 1.176) 4.955 14.457 ( -6.794 1.354 -8.977) 11.339 16.527 ( 4.382 1.385 3.244) 5.625 16.739 ( 1.321 0.274 7.461) 7.582 25.061 ( -1.015 0.029 5.460) 5.554 25.101 ( 0.557 -0.582 4.780) 4.848 25.220 ( 3.205 -0.105 -3.909) 5.056 25.629 ( 2.142 0.995 6.027) 6.473 25.734 ( -3.497 -1.409 -2.609) 4.585 26.544 ( -13.728 -3.527 12.059) 18.610 27.395 ( 6.606 5.052 -7.773) 11.383 27.787 ( -1.671 -2.281 -4.019) 4.915======================= Grid point 216 (87/171) =======================q-point: (-0.30 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( 5.947 0.829 -2.891) 6.664 1.202 ( 8.100 -1.659 2.964) 8.784 1.313 ( -3.314 0.377 2.821) 4.368 1.442 ( -2.471 -0.064 0.698) 2.569 1.619 ( -5.363 0.243 -8.156) 9.764 1.635 ( 3.452 -1.042 1.447) 3.886 1.850 ( 0.387 1.174 0.171) 1.248 2.220 ( -0.818 -0.141 0.580) 1.013 2.335 ( 2.902 -0.118 -6.670) 7.275 2.463 ( -0.024 0.560 11.003) 11.017 3.600 ( 8.586 0.891 -9.605) 12.914 3.638 ( 5.119 -1.974 -5.171) 7.539 3.879 ( 0.358 -0.176 -11.549) 11.555 3.919 ( -3.702 0.378 7.935) 8.764 4.081 ( -3.954 -0.386 3.148) 5.069 4.958 ( 1.098 0.567 4.383) 4.554 4.975 ( -3.903 -0.600 -0.826) 4.034 5.423 ( -4.924 1.086 4.107) 6.503 5.804 ( 6.170 0.419 3.015) 6.880 6.135 ( -5.482 -0.060 5.729) 7.930 7.895 ( 1.622 -0.757 -6.929) 7.156 8.619 ( -1.356 0.757 2.912) 3.300 9.194 ( 4.191 0.717 -1.223) 4.424 9.938 ( 1.686 -0.604 5.764) 6.036 11.402 ( 3.256 0.017 -2.465) 4.084 11.666 ( -1.735 -0.234 3.879) 4.255 12.608 ( 4.389 -0.894 -15.958) 16.574 12.989 ( -0.845 5.694 8.212) 10.029 13.331 ( -1.766 -6.837 11.456) 13.457 13.854 ( -2.114 1.391 -5.034) 5.635 14.316 ( -2.130 -0.598 2.096) 3.047 14.490 ( -6.223 1.062 -9.335) 11.269 16.461 ( 5.349 -0.180 -2.139) 5.764 16.750 ( 2.854 -0.147 2.295) 3.665 25.113 ( -0.078 0.211 -1.956) 1.969 25.126 ( 0.881 -0.425 2.788) 2.954 25.155 ( -0.317 -0.007 1.789) 1.817 25.640 ( 5.654 0.451 8.394) 10.131 25.754 ( -6.028 -0.515 -7.505) 9.640 26.827 ( -12.628 -1.492 10.703) 16.621 27.268 ( 7.673 4.214 -6.136) 10.690 27.760 ( -2.737 -1.923 -4.864) 5.903======================= Grid point 217 (88/171) =======================q-point: (-0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.976 ( 9.854 -0.000 -9.170) 13.460 1.029 ( 10.132 -0.000 -4.836) 11.227 1.452 ( -1.765 0.000 14.205) 14.314 1.520 ( -5.212 0.000 0.105) 5.213 1.585 ( 3.183 0.000 0.872) 3.301 1.641 ( -5.534 -0.000 -6.177) 8.293 1.849 ( 0.229 -0.000 -0.235) 0.328 2.208 ( 4.069 -0.000 -9.037) 9.911 2.220 ( 0.909 -0.000 -1.205) 1.510 2.550 ( 0.039 0.000 8.089) 8.089 3.282 ( 12.054 -0.000 -13.598) 18.172 3.426 ( 11.774 -0.000 -18.330) 21.785 3.741 ( -1.013 -0.000 -10.643) 10.692 4.088 ( -2.903 0.000 6.171) 6.820 4.201 ( -4.481 0.000 7.855) 9.043 4.972 ( 2.760 0.000 3.633) 4.563 5.050 ( -6.129 0.000 0.973) 6.205 5.543 ( -1.983 0.000 7.839) 8.086 5.691 ( 6.395 -0.000 -2.146) 6.745 6.248 ( -5.590 0.000 0.065) 5.590 7.813 ( 1.457 -0.000 -5.790) 5.971 8.650 ( 0.692 0.000 1.706) 1.841 9.230 ( -3.096 0.000 9.504) 9.996 10.030 ( -2.456 0.000 13.307) 13.532 11.347 ( 5.426 0.000 5.490) 7.719 11.763 ( -3.890 0.000 8.254) 9.124 12.396 ( 2.833 -0.000 -17.232) 17.463 13.130 ( -4.629 0.000 8.639) 9.801 13.444 ( -3.467 0.000 11.210) 11.734 13.866 ( -2.984 -0.000 -2.887) 4.152 14.350 ( 0.164 0.000 2.893) 2.898 14.498 ( -4.772 -0.000 -9.602) 10.722 16.323 ( 6.594 -0.000 -7.626) 10.082 16.689 ( 4.233 -0.000 -3.411) 5.436 25.045 ( 0.703 -0.000 -7.258) 7.291 25.132 ( 1.130 0.000 1.930) 2.237 25.228 ( -3.390 0.000 3.312) 4.740 25.612 ( 6.728 0.000 6.766) 9.541 25.780 ( -6.777 -0.000 -8.374) 10.773 27.090 ( -10.703 0.000 9.223) 14.129 27.117 ( 9.025 -0.000 -3.838) 9.807 27.759 ( -4.462 -0.000 -5.753) 7.280======================= Grid point 222 (89/171) =======================q-point: ( 0.30 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( -0.000 8.545 12.983) 15.542 0.664 ( -0.000 12.367 12.029) 17.252 1.284 ( 0.000 10.476 33.306) 34.915 1.583 ( 0.000 0.020 17.538) 17.538 1.722 ( 0.000 1.399 13.746) 13.817 1.765 ( 0.000 -1.659 -3.009) 3.436 1.821 ( 0.000 -1.810 9.080) 9.259 1.836 ( 0.000 -0.291 8.627) 8.631 2.019 ( 0.000 -2.920 9.311) 9.758 2.064 ( -0.000 3.206 4.379) 5.427 2.520 ( -0.000 0.235 -2.820) 2.830 2.730 ( 0.000 -3.163 3.702) 4.870 3.925 ( 0.000 -3.261 1.122) 3.448 4.569 ( -0.000 5.912 2.346) 6.361 4.607 ( 0.000 -3.380 -8.367) 9.024 4.722 ( -0.000 10.066 1.858) 10.236 4.874 ( -0.000 -0.058 -20.734) 20.734 5.570 ( -0.000 -2.131 -11.912) 12.101 5.635 ( -0.000 -1.627 -5.849) 6.071 6.317 ( 0.000 -6.344 4.154) 7.583 7.833 ( -0.000 10.319 5.897) 11.885 8.541 ( 0.000 -0.991 -1.096) 1.477 9.544 ( -0.000 7.427 1.134) 7.513 10.398 ( 0.000 -3.302 -6.462) 7.257 11.450 ( -0.000 9.490 -19.611) 21.787 12.199 ( -0.000 -2.687 -16.828) 17.042 12.201 ( 0.000 4.888 15.960) 16.692 13.666 ( 0.000 -9.184 -7.282) 11.720 13.791 ( 0.000 -5.853 6.634) 8.847 13.966 ( 0.000 -5.568 0.524) 5.592 14.136 ( -0.000 3.014 -13.243) 13.582 14.298 ( -0.000 -0.532 -21.243) 21.250 16.308 ( 0.000 3.486 18.805) 19.126 16.570 ( -0.000 7.162 5.713) 9.161 24.962 ( 0.000 0.085 4.131) 4.131 25.119 ( 0.000 -1.599 2.360) 2.851 25.366 ( -0.000 2.140 5.828) 6.208 25.491 ( 0.000 -0.364 3.899) 3.916 25.717 ( 0.000 -11.723 25.653) 28.205 26.000 ( 0.000 -4.541 4.293) 6.249 27.696 ( -0.000 1.389 -6.294) 6.446 27.749 ( 0.000 -0.839 -2.066) 2.230======================= Grid point 223 (90/171) =======================q-point: ( 0.40 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( -1.668 7.262 12.500) 14.553 0.893 ( -1.602 11.611 10.222) 15.552 1.518 ( 2.445 0.129 11.617) 11.872 1.635 ( 7.320 1.462 9.792) 12.313 1.724 ( 1.970 -2.376 3.731) 4.842 1.764 ( 0.024 -2.521 -2.028) 3.236 1.892 ( 6.468 0.727 11.114) 12.880 2.035 ( -5.251 2.305 15.167) 16.215 2.119 ( 2.198 1.341 10.830) 11.132 2.361 ( -18.588 1.945 31.708) 36.806 2.533 ( -3.021 -0.451 -2.247) 3.792 2.799 ( -5.693 -1.540 12.258) 13.603 3.938 ( -2.532 -1.502 0.757) 3.040 4.455 ( 4.420 -3.966 -4.593) 7.507 4.560 ( 9.828 12.888 -10.582) 19.356 4.740 ( -6.115 -0.935 0.182) 6.189 4.913 ( -8.654 1.392 -11.799) 14.698 5.386 ( 2.779 -2.965 -14.330) 14.895 5.609 ( -1.689 0.590 -2.383) 2.979 6.277 ( 4.480 -7.939 10.501) 13.906 7.967 ( 1.672 9.199 5.793) 10.999 8.524 ( -0.974 -1.672 -1.517) 2.459 9.618 ( 1.126 7.128 -2.068) 7.507 10.282 ( 1.533 -3.107 -9.861) 10.452 11.361 ( -1.164 8.869 -20.926) 22.758 11.985 ( 1.271 -3.284 -21.392) 21.680 12.392 ( 0.588 6.868 15.939) 17.366 13.426 ( 8.129 -6.195 -11.435) 15.337 13.736 ( 1.649 -8.316 0.000) 8.478 13.952 ( -2.201 0.900 -20.508) 20.645 14.030 ( -2.357 -5.063 5.213) 7.640 14.205 ( -6.570 -0.414 -12.380) 14.022 16.512 ( 1.125 4.214 18.670) 19.173 16.675 ( 4.231 6.415 13.061) 15.154 25.006 ( 0.017 0.215 5.740) 5.744 25.120 ( 1.121 -1.340 3.212) 3.657 25.414 ( 3.775 1.196 6.227) 7.379 25.513 ( 1.030 1.053 5.635) 5.824 25.859 ( -2.284 -8.710 12.287) 15.233 26.031 ( -6.473 -7.392 10.720) 14.541 27.610 ( 3.534 2.188 -8.427) 9.396 27.743 ( -3.405 -1.167 -4.817) 6.014======================= Grid point 224 (91/171) =======================q-point: ( 0.50 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.995 ( -2.881 5.200 8.217) 10.142 1.123 ( -1.511 8.366 14.754) 17.028 1.454 ( 4.988 -3.053 -1.698) 6.090 1.617 ( 4.313 0.231 0.036) 4.319 1.714 ( 3.765 -2.706 8.021) 9.264 1.770 ( 1.032 1.667 6.095) 6.402 1.868 ( 8.023 -0.405 10.671) 13.357 2.151 ( 1.421 0.194 4.274) 4.508 2.233 ( -2.869 3.119 10.612) 11.427 2.513 ( 1.359 -1.454 -0.991) 2.223 2.996 ( -18.604 2.358 32.608) 37.616 3.102 ( -11.441 1.567 21.297) 24.226 3.965 ( -1.904 -1.111 -0.268) 2.220 4.306 ( 5.827 -1.435 -7.507) 9.611 4.403 ( 10.108 7.395 -11.870) 17.256 4.806 ( -6.867 -2.791 -6.853) 10.095 4.912 ( -4.377 0.279 -9.593) 10.548 5.233 ( -2.136 -2.660 -11.257) 11.762 5.676 ( -1.356 3.934 7.851) 8.885 6.228 ( 5.491 -7.711 12.840) 15.953 8.037 ( 3.716 5.895 2.957) 7.570 8.517 ( -1.848 -1.630 -1.239) 2.758 9.565 ( 7.881 5.927 -7.678) 12.498 10.135 ( 2.440 -1.704 -10.293) 10.714 11.303 ( -4.272 7.023 -17.594) 19.419 11.753 ( -0.114 -3.591 -20.101) 20.419 12.586 ( 0.466 7.640 13.957) 15.919 13.149 ( 8.029 -3.064 -12.008) 14.766 13.619 ( 1.499 -10.452 -0.217) 10.561 13.797 ( 0.254 2.761 -16.238) 16.473 14.125 ( -8.189 -6.244 4.082) 11.077 14.215 ( -7.147 -0.360 -9.738) 12.085 16.646 ( 5.637 4.680 13.620) 15.466 16.787 ( 3.486 3.620 14.262) 15.122 25.063 ( 0.188 0.080 6.774) 6.777 25.123 ( 0.852 -0.554 3.382) 3.532 25.379 ( 6.325 0.038 2.901) 6.959 25.563 ( 0.779 1.915 4.300) 4.772 25.865 ( 3.047 -4.418 9.686) 11.074 26.230 ( -12.997 -8.369 12.376) 19.802 27.492 ( 4.729 3.307 -9.224) 10.881 27.737 ( -3.994 -1.857 -6.642) 7.970======================= Grid point 225 (92/171) =======================q-point: ( 0.60 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -3.230 3.006 5.631) 7.154 1.292 ( 1.055 -1.102 3.727) 4.027 1.370 ( 3.515 4.232 5.972) 8.120 1.533 ( 5.092 -0.542 1.117) 5.242 1.696 ( 3.936 -2.942 7.836) 9.250 1.813 ( 7.983 1.888 11.792) 14.364 1.837 ( 3.633 -0.407 6.272) 7.260 2.165 ( -1.673 0.053 -1.015) 1.957 2.372 ( -0.229 2.150 4.617) 5.098 2.480 ( 2.218 -0.006 5.901) 6.304 3.481 ( -9.114 2.511 20.414) 22.497 3.489 ( -11.324 2.099 20.211) 23.263 3.967 ( 0.444 -0.527 -2.011) 2.125 4.099 ( 7.142 -0.844 -11.513) 13.575 4.166 ( 11.032 -0.113 -11.277) 15.776 4.807 ( -7.815 -3.135 -9.541) 12.725 4.914 ( -3.480 1.354 -5.664) 6.784 5.206 ( -6.872 -0.882 -8.317) 10.825 5.836 ( -0.466 5.332 12.516) 13.612 6.194 ( 4.978 -5.641 11.976) 14.143 8.008 ( 4.918 1.135 -1.194) 5.187 8.538 ( -2.634 0.026 0.116) 2.637 9.388 ( 9.880 3.987 -8.109) 13.389 10.016 ( 2.136 0.027 -5.554) 5.951 11.305 ( -6.203 4.016 -13.459) 15.354 11.597 ( -3.665 -2.562 -13.869) 14.572 12.730 ( 1.641 3.288 4.262) 5.627 12.940 ( 6.313 2.800 -3.914) 7.938 13.513 ( 0.134 -10.687 2.364) 10.946 13.716 ( -2.254 2.661 -11.718) 12.226 14.220 ( -7.485 -3.999 0.207) 8.489 14.243 ( -7.288 -0.875 -7.715) 10.649 16.670 ( 8.594 3.074 8.884) 12.737 16.864 ( 4.682 1.879 10.889) 12.001 25.112 ( 0.677 -0.316 5.950) 5.997 25.147 ( 0.202 0.342 3.673) 3.694 25.281 ( 7.252 -0.093 -0.428) 7.265 25.595 ( -0.555 1.171 0.223) 1.315 25.877 ( 5.034 -2.032 13.235) 14.305 26.474 ( -13.846 -6.096 10.723) 18.543 27.368 ( 5.571 5.091 -9.176) 11.881 27.714 ( -4.165 -3.196 -7.661) 9.287======================= Grid point 226 (93/171) =======================q-point: (-0.30 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 1.743 -0.091 -1.958) 2.624 1.221 ( 3.000 -0.268 -4.360) 5.299 1.395 ( -1.155 -0.092 0.172) 1.171 1.565 ( 6.376 3.518 19.954) 21.241 1.682 ( 4.195 -2.094 8.852) 10.017 1.770 ( 11.576 -2.199 16.607) 20.362 1.854 ( 1.094 1.771 1.560) 2.602 2.185 ( -2.505 0.161 -2.337) 3.429 2.328 ( 3.460 0.117 -5.830) 6.780 2.566 ( 1.790 1.928 12.024) 12.309 3.639 ( 4.378 1.396 -0.361) 4.609 3.721 ( 5.332 -2.153 -2.277) 6.185 3.809 ( 4.747 -0.446 -13.002) 13.849 3.932 ( -1.194 0.285 5.139) 5.283 4.081 ( -2.865 -1.347 7.073) 7.749 4.825 ( -8.642 -1.772 -10.449) 13.675 4.950 ( -3.161 1.672 -0.993) 3.711 5.266 ( -9.822 0.996 -7.867) 12.624 5.945 ( 5.858 3.483 8.397) 10.815 6.185 ( 2.517 -1.826 8.100) 8.677 7.910 ( 4.033 -1.742 -2.754) 5.185 8.598 ( -2.825 1.206 1.740) 3.530 9.250 ( 5.315 2.040 -0.279) 5.699 9.991 ( -0.285 0.640 3.046) 3.125 11.315 ( -6.389 0.535 -10.535) 12.332 11.586 ( -7.342 -0.104 -6.166) 9.588 12.598 ( 7.440 -2.166 -9.619) 12.352 12.994 ( 0.575 7.149 7.491) 10.371 13.471 ( -1.870 -9.289 6.373) 11.419 13.703 ( -4.415 2.807 -9.160) 10.549 14.271 ( -7.999 0.705 -10.833) 13.485 14.299 ( -5.041 -3.370 1.545) 6.258 16.600 ( 10.387 0.916 4.609) 11.400 16.865 ( 6.684 0.851 6.437) 9.318 25.135 ( 3.513 -0.382 0.807) 3.625 25.159 ( 1.974 1.018 0.703) 2.330 25.190 ( 1.424 -0.247 3.242) 3.549 25.611 ( -2.509 0.530 -3.449) 4.297 25.888 ( 8.495 -0.798 15.169) 17.404 26.731 ( -13.766 -3.601 8.942) 16.806 27.260 ( 6.038 7.357 -7.844) 12.333 27.672 ( -4.603 -4.916 -8.594) 10.918======================= Grid point 227 (94/171) =======================q-point: (-0.20 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( 8.687 -1.793 -7.343) 11.515 1.138 ( 4.573 0.721 -3.158) 5.604 1.456 ( -3.720 -0.593 2.546) 4.547 1.653 ( 5.703 2.976 11.171) 12.891 1.692 ( 3.389 -0.977 7.940) 8.688 1.742 ( 12.154 -2.248 28.264) 30.849 1.859 ( 1.190 1.030 0.764) 1.750 2.190 ( 1.943 0.646 -7.172) 7.459 2.200 ( 1.835 -0.330 -5.170) 5.496 2.627 ( 2.510 0.954 5.684) 6.286 3.393 ( 13.899 -1.148 -9.235) 16.727 3.473 ( 13.075 -0.571 -14.567) 19.582 3.642 ( -0.473 -2.793 -11.251) 11.602 4.103 ( -3.398 0.584 8.315) 9.001 4.214 ( -3.785 0.304 10.067) 10.759 4.873 ( -10.888 -0.444 -9.084) 14.187 5.004 ( -1.305 0.688 1.080) 1.829 5.389 ( -12.606 1.738 -6.569) 14.320 5.856 ( 11.965 1.038 1.979) 12.172 6.224 ( -0.178 0.781 4.116) 4.193 7.826 ( 2.727 -1.489 -1.020) 3.270 8.656 ( -1.142 0.814 1.486) 2.044 9.275 ( -1.554 0.748 9.036) 9.200 10.089 ( -3.504 0.511 10.428) 11.013 11.351 ( -6.845 -0.311 -3.711) 7.792 11.688 ( -9.427 0.373 -1.272) 9.520 12.364 ( 8.761 -1.404 -10.286) 13.584 13.116 ( -2.606 3.414 5.306) 6.826 13.510 ( -3.148 -5.270 8.329) 10.346 13.736 ( -5.757 1.991 -6.680) 9.040 14.301 ( -7.283 0.713 -10.787) 13.035 14.352 ( -3.315 -1.462 1.099) 3.786 16.449 ( 12.168 -0.559 0.445) 12.189 16.787 ( 8.715 0.206 1.705) 8.882 25.032 ( 4.321 -0.139 -4.198) 6.026 25.163 ( 1.552 0.794 0.980) 1.999 25.227 ( -1.266 -0.224 3.862) 4.070 25.627 ( -4.291 0.282 -5.381) 6.888 25.858 ( 11.479 -0.402 14.245) 18.299 26.985 ( -12.697 -1.363 7.106) 14.614 27.177 ( 6.890 7.239 -4.414) 10.925 27.620 ( -5.886 -4.993 -10.265) 12.843======================= Grid point 228 (95/171) =======================q-point: (-0.10 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.820 ( 10.732 -0.000 -7.698) 13.207 1.026 ( 9.627 0.000 2.123) 9.858 1.525 ( -2.019 0.000 3.662) 4.182 1.627 ( 8.407 0.000 3.938) 9.284 1.701 ( 2.705 0.000 7.846) 8.299 1.837 ( 8.329 0.000 25.484) 26.811 1.851 ( 1.395 0.000 2.146) 2.559 2.035 ( 3.582 -0.000 -10.040) 10.660 2.141 ( 3.277 -0.000 -7.318) 8.018 2.623 ( -0.180 -0.000 -0.908) 0.926 3.033 ( 19.903 -0.000 -25.087) 32.023 3.125 ( 13.030 -0.000 -3.295) 13.440 3.594 ( -4.859 -0.000 -5.835) 7.593 4.162 ( 1.216 0.000 2.328) 2.627 4.345 ( -2.651 0.000 6.570) 7.085 5.004 ( 3.210 0.000 1.787) 3.674 5.012 ( -14.441 -0.000 -3.709) 14.910 5.563 ( -13.799 -0.000 -2.943) 14.109 5.714 ( 7.314 0.000 2.147) 7.623 6.259 ( -0.611 0.000 0.922) 1.106 7.767 ( 3.784 -0.000 -0.099) 3.785 8.668 ( 1.181 0.000 0.499) 1.282 9.441 ( -6.082 0.000 12.093) 13.536 10.261 ( -4.771 0.000 11.170) 12.146 11.459 ( -5.587 0.000 6.262) 8.392 11.857 ( -11.287 0.000 2.737) 11.614 12.130 ( 7.848 -0.000 -11.636) 14.036 13.240 ( -6.743 0.000 3.413) 7.557 13.608 ( -3.957 0.000 6.906) 7.959 13.792 ( -6.163 -0.000 -4.185) 7.450 14.318 ( -5.791 -0.000 -9.123) 10.806 14.400 ( -2.196 0.000 1.978) 2.956 16.224 ( 14.405 -0.000 -3.561) 14.839 16.632 ( 10.601 -0.000 -2.825) 10.971 24.942 ( 2.251 -0.000 -4.196) 4.762 25.146 ( 1.409 -0.000 -0.041) 1.409 25.276 ( -1.421 0.000 1.970) 2.429 25.662 ( -6.204 -0.000 -4.774) 7.828 25.778 ( 12.616 0.000 10.704) 16.545 27.072 ( 8.489 -0.000 -1.495) 8.620 27.224 ( -11.120 0.000 6.110) 12.688 27.597 ( -6.846 -0.000 -11.424) 13.319======================= Grid point 229 (96/171) =======================q-point: ( 0.00 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 11.599 -0.000 0.000) 11.599 1.051 ( 5.643 -0.000 0.000) 5.643 1.576 ( -3.822 0.000 -0.000) 3.822 1.687 ( 13.659 -0.000 0.000) 13.659 1.825 ( 9.928 -0.000 0.000) 9.928 1.860 ( 3.104 -0.000 0.000) 3.104 1.908 ( -0.267 0.000 -0.000) 0.267 2.025 ( 6.077 -0.000 0.000) 6.077 2.220 ( 8.942 -0.000 0.000) 8.942 2.588 ( -2.315 0.000 -0.000) 2.315 2.684 ( 26.793 -0.000 0.000) 26.793 3.116 ( 13.687 -0.000 0.000) 13.687 3.541 ( -6.454 0.000 -0.000) 6.454 4.180 ( 2.231 -0.000 0.000) 2.231 4.401 ( -0.368 0.000 -0.000) 0.368 4.971 ( -17.786 0.000 -0.000) 17.786 5.036 ( 2.428 -0.000 0.000) 2.428 5.520 ( -17.760 0.000 -0.000) 17.760 5.732 ( 5.339 -0.000 0.000) 5.339 6.269 ( 0.896 -0.000 0.000) 0.896 7.773 ( 4.314 -0.000 0.000) 4.314 8.672 ( 1.418 -0.000 0.000) 1.418 9.565 ( -7.294 0.000 -0.000) 7.294 10.368 ( -4.875 0.000 -0.000) 4.875 11.521 ( -15.431 0.000 -0.000) 15.431 11.878 ( -14.833 0.000 -0.000) 14.833 12.024 ( 14.398 -0.000 0.000) 14.398 13.263 ( -7.057 0.000 -0.000) 7.057 13.673 ( -4.442 0.000 -0.000) 4.442 13.750 ( -6.264 0.000 -0.000) 6.264 14.230 ( -5.685 0.000 -0.000) 5.685 14.416 ( -4.075 0.000 -0.000) 4.075 16.194 ( 17.768 -0.000 0.000) 17.768 16.604 ( 13.560 -0.000 0.000) 13.560 24.904 ( 2.874 -0.000 0.000) 2.874 25.143 ( 1.505 -0.000 0.000) 1.505 25.294 ( -0.513 0.000 -0.000) 0.513 25.619 ( -6.182 0.000 -0.000) 6.182 25.896 ( 14.640 -0.000 0.000) 14.640 27.059 ( 8.269 -0.000 0.000) 8.269 27.298 ( -12.350 0.000 -0.000) 12.350 27.453 ( -6.096 0.000 -0.000) 6.096======================= Grid point 233 (97/171) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( -0.000 6.063 10.673) 12.275 0.846 ( -0.000 14.069 10.654) 17.648 1.653 ( 0.000 -3.319 2.397) 4.093 1.742 ( 0.000 -3.119 6.286) 7.017 1.745 ( 0.000 -3.090 -4.899) 5.792 1.868 ( 0.000 0.995 10.137) 10.185 2.018 ( -0.000 3.906 10.801) 11.485 2.167 ( 0.000 2.068 18.565) 18.680 2.312 ( 0.000 -1.131 17.972) 18.008 2.429 ( 0.000 0.750 28.871) 28.881 2.505 ( 0.000 2.831 13.678) 13.968 2.894 ( 0.000 -0.957 18.177) 18.202 3.956 ( 0.000 -3.221 2.281) 3.946 4.355 ( -0.000 13.431 -17.447) 22.018 4.550 ( -0.000 8.198 -4.555) 9.379 4.604 ( 0.000 -8.818 -9.618) 13.049 4.760 ( -0.000 2.870 -0.716) 2.958 5.255 ( -0.000 -0.049 -21.004) 21.004 5.567 ( -0.000 2.350 1.650) 2.872 6.481 ( 0.000 -7.146 11.500) 13.539 7.967 ( -0.000 7.646 8.671) 11.560 8.511 ( 0.000 -1.376 -2.287) 2.669 9.557 ( -0.000 6.694 -0.126) 6.695 10.196 ( -0.000 -0.711 -16.098) 16.114 11.086 ( -0.000 7.547 -20.815) 22.141 11.802 ( -0.000 -2.595 -26.820) 26.945 12.483 ( 0.000 4.827 15.780) 16.502 13.441 ( -0.000 -5.604 -17.159) 18.051 13.707 ( -0.000 -4.235 -16.820) 17.344 13.818 ( -0.000 0.651 -10.215) 10.236 14.111 ( 0.000 -6.020 4.468) 7.496 14.114 ( 0.000 -7.723 2.545) 8.131 16.664 ( 0.000 3.516 19.371) 19.688 16.716 ( -0.000 12.631 9.974) 16.094 25.059 ( 0.000 -0.163 6.442) 6.444 25.178 ( 0.000 -1.411 4.020) 4.261 25.508 ( 0.000 2.387 9.970) 10.251 25.586 ( 0.000 0.052 6.611) 6.611 26.087 ( 0.000 -15.646 14.575) 21.383 26.111 ( 0.000 -5.026 8.239) 9.650 27.539 ( -0.000 1.884 -11.034) 11.194 27.678 ( 0.000 -3.339 -6.160) 7.007======================= Grid point 234 (98/171) =======================q-point: ( 0.50 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( -1.110 6.173 8.338) 10.434 1.103 ( -3.858 11.522 12.151) 17.184 1.560 ( 5.037 -3.604 -2.503) 6.681 1.659 ( 1.615 -2.603 -3.963) 5.009 1.802 ( -2.782 -4.399 5.829) 7.815 1.899 ( 4.553 1.123 6.882) 8.328 2.077 ( 4.472 2.240 5.863) 7.706 2.315 ( 5.993 3.174 20.395) 21.493 2.327 ( 6.837 -1.320 12.714) 14.496 2.539 ( 0.180 0.576 4.745) 4.783 3.021 ( -14.791 2.682 38.684) 41.502 3.153 ( -6.084 1.417 26.044) 26.783 3.964 ( -0.832 -1.418 1.785) 2.426 4.278 ( 5.251 8.458 -13.826) 17.038 4.411 ( 5.044 -1.347 -5.066) 7.275 4.627 ( -6.925 -0.168 -11.866) 13.740 4.752 ( -3.832 -0.001 -9.195) 9.961 5.077 ( -2.600 -1.506 -19.362) 19.594 5.687 ( -1.798 5.514 12.046) 13.370 6.480 ( 3.740 -7.372 10.934) 13.707 8.078 ( 2.668 5.558 6.246) 8.776 8.484 ( -1.522 -1.697 -3.108) 3.854 9.564 ( 5.750 6.319 -4.243) 9.539 10.043 ( 0.005 0.260 -16.080) 16.082 11.005 ( -4.081 7.091 -18.905) 20.600 11.549 ( -2.135 -2.684 -26.893) 27.110 12.662 ( 0.580 5.445 14.687) 15.675 13.192 ( 6.508 -3.962 -13.060) 15.120 13.552 ( -2.188 -1.854 -16.660) 16.905 13.734 ( 0.009 -1.951 -6.416) 6.706 14.097 ( -2.706 -5.394 -0.681) 6.073 14.130 ( -5.699 -8.020 4.752) 10.926 16.810 ( 5.199 5.620 13.833) 15.810 16.898 ( 1.176 6.679 11.975) 13.762 25.118 ( -0.312 -0.050 6.435) 6.443 25.188 ( 1.839 -0.901 4.175) 4.650 25.541 ( 7.941 0.499 7.664) 11.047 25.641 ( 2.707 1.748 8.248) 8.856 26.041 ( 2.186 -7.171 9.708) 12.265 26.235 ( -10.377 -9.698 10.653) 17.754 27.434 ( 2.865 2.832 -11.192) 11.895 27.622 ( -3.999 -2.567 -8.632) 9.853======================= Grid point 235 (99/171) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.118 ( -2.160 3.987 6.355) 7.807 1.336 ( -0.554 3.894 6.424) 7.532 1.444 ( 4.069 0.413 2.013) 4.558 1.583 ( 0.598 -1.211 -1.909) 2.339 1.833 ( 0.803 -3.421 6.025) 6.974 1.895 ( 4.236 1.156 5.733) 7.221 2.081 ( 1.543 1.915 2.406) 3.440 2.283 ( 11.338 -1.834 17.690) 21.092 2.412 ( 4.234 1.630 6.665) 8.063 2.603 ( 3.607 2.582 15.941) 16.546 3.497 ( -7.499 3.465 21.813) 23.325 3.528 ( -8.217 2.245 25.497) 26.882 3.961 ( 1.356 0.190 -3.699) 3.945 4.115 ( 6.077 0.215 -7.882) 9.955 4.255 ( 8.768 -1.187 -5.933) 10.653 4.599 ( -8.133 -2.573 -14.702) 16.998 4.753 ( -6.225 1.467 -8.957) 11.006 4.994 ( -7.490 -0.740 -15.523) 17.252 5.894 ( -0.805 6.086 15.561) 16.728 6.432 ( 5.775 -5.862 9.106) 12.273 8.085 ( 5.200 1.003 1.900) 5.627 8.483 ( -3.164 -0.346 -2.180) 3.857 9.435 ( 9.494 4.765 -6.369) 12.385 9.947 ( -1.258 2.157 -9.689) 10.006 11.011 ( -8.578 4.674 -15.849) 18.617 11.372 ( -6.443 -1.746 -22.043) 23.032 12.800 ( 2.660 2.395 8.978) 9.666 12.984 ( 5.777 0.508 -4.325) 7.235 13.455 ( -3.417 0.088 -12.506) 12.964 13.666 ( -0.984 -4.253 -4.172) 6.038 14.085 ( -4.093 -3.940 -3.871) 6.874 14.196 ( -7.236 -7.325 2.861) 10.686 16.855 ( 8.396 4.503 9.598) 13.524 17.005 ( 4.031 3.902 10.023) 11.486 25.175 ( -0.121 0.369 4.672) 4.688 25.186 ( 2.165 -0.211 4.359) 4.872 25.440 ( 11.062 -0.197 3.580) 11.628 25.645 ( 4.715 0.312 4.390) 6.449 26.076 ( 1.610 -2.465 14.130) 14.433 26.422 ( -12.776 -8.241 9.240) 17.791 27.311 ( 4.310 4.065 -11.397) 12.845 27.592 ( -5.437 -3.112 -9.040) 10.998======================= Grid point 236 (100/171) =======================q-point: ( 0.70 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.203 ( -0.213 -0.100 0.577) 0.623 1.288 ( 4.525 -1.154 1.307) 4.850 1.411 ( 2.711 -0.823 -0.588) 2.894 1.677 ( -2.971 4.035 7.675) 9.166 1.835 ( 4.564 -0.587 9.370) 10.439 1.893 ( 3.275 0.946 4.796) 5.884 2.104 ( -2.004 1.642 -2.289) 3.457 2.254 ( 11.697 -2.485 20.457) 23.696 2.361 ( 8.302 0.806 3.693) 9.122 2.714 ( 5.293 2.941 15.781) 16.903 3.698 ( 4.408 1.132 -1.395) 4.760 3.762 ( 1.627 2.013 4.515) 5.204 3.821 ( 3.170 -0.973 -3.172) 4.589 3.997 ( 5.931 -2.095 0.300) 6.297 4.134 ( -1.220 -1.768 8.001) 8.284 4.589 ( -9.362 -2.054 -14.023) 16.986 4.819 ( -7.480 2.684 -4.871) 9.322 4.999 ( -10.016 0.767 -14.562) 17.691 6.061 ( 3.168 5.320 12.210) 13.690 6.352 ( 7.093 -3.264 4.963) 9.252 7.990 ( 5.166 -2.823 -0.803) 5.942 8.541 ( -4.229 1.300 0.591) 4.464 9.311 ( 5.925 3.208 -0.391) 6.749 9.959 ( -3.307 2.882 -0.739) 4.449 11.047 ( -10.826 0.636 -15.781) 19.148 11.347 ( -11.000 0.690 -13.413) 17.361 12.699 ( 8.784 -2.922 -2.695) 9.642 13.011 ( 1.198 5.615 6.700) 8.823 13.445 ( -5.554 1.002 -6.634) 8.710 13.617 ( -2.098 -4.635 -2.535) 5.684 14.086 ( -5.503 -2.213 -6.013) 8.446 14.259 ( -6.544 -5.875 0.947) 8.845 16.806 ( 10.923 2.342 6.223) 12.788 17.023 ( 6.977 2.335 6.906) 10.091 25.183 ( 2.122 1.732 2.103) 3.453 25.218 ( 0.554 -0.890 4.154) 4.284 25.281 ( 10.472 0.316 0.163) 10.478 25.603 ( 2.626 -1.163 0.566) 2.927 26.159 ( 5.961 0.400 18.063) 19.025 26.634 ( -13.549 -6.017 7.361) 16.552 27.184 ( 4.477 6.646 -12.203) 14.599 27.566 ( -5.627 -5.271 -8.086) 11.173======================= Grid point 237 (101/171) =======================q-point: (-0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 4.347 -1.230 -2.032) 4.954 1.166 ( 6.533 -2.213 -2.799) 7.444 1.436 ( -2.917 -0.076 3.454) 4.522 1.772 ( 0.637 0.642 4.624) 4.711 1.861 ( 3.905 2.174 8.282) 9.410 1.899 ( 4.363 0.720 8.733) 9.789 2.125 ( -1.099 2.150 -3.862) 4.555 2.203 ( 5.782 -1.355 -0.175) 5.941 2.280 ( 15.739 -0.466 23.621) 28.388 2.733 ( 7.322 0.991 5.197) 9.033 3.510 ( 8.530 -0.586 -9.908) 13.087 3.599 ( 13.033 -0.692 -7.754) 15.181 3.621 ( 8.158 -4.334 -6.994) 11.587 4.117 ( -4.178 0.731 9.795) 10.674 4.257 ( -2.565 0.021 10.859) 11.158 4.607 ( -10.996 -1.135 -12.409) 16.619 4.930 ( -6.510 2.074 -1.072) 6.916 5.072 ( -13.734 2.349 -12.436) 18.676 6.057 ( 12.486 2.597 4.163) 13.416 6.277 ( 3.340 0.306 2.426) 4.140 7.893 ( 3.170 -3.164 0.449) 4.501 8.625 ( -3.142 1.431 1.311) 3.693 9.319 ( -0.165 1.813 6.420) 6.673 10.081 ( -5.578 2.468 5.879) 8.471 11.110 ( -14.081 -0.937 -11.345) 18.107 11.460 ( -13.340 1.184 -7.090) 15.154 12.493 ( 11.578 -2.186 -2.391) 12.022 13.095 ( -0.962 3.087 3.423) 4.709 13.519 ( -6.580 0.539 -0.751) 6.645 13.606 ( -3.281 -2.735 -1.630) 4.572 14.109 ( -6.417 -0.797 -6.536) 9.194 14.308 ( -5.328 -3.807 -0.273) 6.554 16.673 ( 13.243 0.360 3.248) 13.640 16.955 ( 9.823 1.169 3.540) 10.507 25.110 ( 8.721 -0.164 -1.431) 8.839 25.184 ( 2.078 2.158 0.825) 3.108 25.251 ( -0.088 -0.277 2.745) 2.760 25.563 ( -0.051 -1.308 -1.919) 2.322 26.186 ( 11.905 0.527 17.011) 20.769 26.856 ( -13.501 -3.422 5.264) 14.889 27.103 ( 3.251 11.095 -10.129) 15.370 27.519 ( -5.479 -8.814 -7.279) 12.676======================= Grid point 238 (102/171) =======================q-point: (-0.10 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 10.675 -2.950 -3.205) 11.529 1.109 ( 2.883 0.563 -0.554) 2.990 1.510 ( -3.544 -0.597 2.273) 4.252 1.783 ( 4.447 0.590 5.509) 7.104 1.875 ( 2.770 1.471 3.606) 4.779 1.907 ( 6.644 -0.057 9.763) 11.809 2.019 ( 6.666 0.328 -8.885) 11.113 2.134 ( 2.997 0.672 -3.380) 4.567 2.268 ( 13.350 -0.396 23.340) 26.892 2.623 ( 4.543 -0.655 -4.264) 6.265 3.171 ( 21.956 0.194 -15.575) 26.920 3.326 ( 13.752 -0.091 0.027) 13.753 3.502 ( -3.259 -4.388 -4.447) 7.046 4.196 ( 0.449 -0.101 2.435) 2.478 4.368 ( -1.295 0.356 5.473) 5.635 4.728 ( -15.773 -0.437 -5.207) 16.616 5.021 ( -2.937 0.750 1.246) 3.277 5.255 ( -17.167 2.643 -6.260) 18.462 5.871 ( 12.946 1.017 0.118) 12.986 6.274 ( 1.309 1.170 1.398) 2.244 7.833 ( 3.056 -1.548 0.822) 3.523 8.674 ( -0.623 0.803 0.481) 1.124 9.435 ( -4.735 0.860 6.353) 7.970 10.249 ( -6.020 1.437 5.773) 8.463 11.277 ( -16.562 -0.646 -3.374) 16.915 11.647 ( -14.888 0.529 -2.099) 15.045 12.262 ( 13.614 -1.186 -2.015) 13.813 13.169 ( -4.138 0.719 1.070) 4.334 13.612 ( -4.199 -2.945 3.088) 5.986 13.651 ( -6.209 1.770 -2.656) 6.981 14.156 ( -6.470 0.040 -4.639) 7.962 14.356 ( -4.532 -1.576 -0.229) 4.804 16.462 ( 15.776 -0.833 0.626) 15.811 16.806 ( 12.352 0.359 0.534) 12.369 24.980 ( 5.941 -0.062 -1.526) 6.135 25.169 ( 2.229 1.155 -0.024) 2.511 25.277 ( -0.751 -0.028 1.579) 1.748 25.558 ( -3.152 -0.533 -2.139) 3.847 26.092 ( 15.163 -0.155 9.275) 17.776 27.073 ( -7.077 4.648 2.322) 8.780 27.111 ( -1.091 7.586 -2.302) 8.002 27.451 ( -6.328 -10.927 -6.593) 14.245======================= Grid point 244 (103/171) =======================q-point: ( 0.50 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.000 ( -0.000 5.284 9.016) 10.450 1.057 ( -0.000 12.029 12.775) 17.547 1.601 ( 0.000 -3.383 -4.202) 5.395 1.657 ( 0.000 -2.887 -4.630) 5.456 1.868 ( 0.000 -4.029 4.394) 5.961 1.938 ( -0.000 1.970 0.155) 1.977 2.092 ( -0.000 2.623 0.535) 2.677 2.451 ( 0.000 -2.337 1.004) 2.544 2.619 ( 0.000 1.213 28.592) 28.617 2.621 ( 0.000 3.278 14.772) 15.131 3.229 ( 0.000 2.485 41.365) 41.440 3.349 ( 0.000 0.596 28.138) 28.144 3.986 ( 0.000 -1.568 -0.401) 1.619 4.097 ( -0.000 10.778 -11.082) 15.459 4.428 ( -0.000 6.202 -7.908) 10.050 4.469 ( 0.000 -7.120 -6.221) 9.455 4.641 ( -0.000 -1.332 -10.777) 10.859 4.871 ( -0.000 -0.085 -22.048) 22.048 5.755 ( 0.000 5.236 18.187) 18.925 6.654 ( 0.000 -5.894 6.786) 8.988 8.116 ( -0.000 3.852 7.629) 8.546 8.458 ( 0.000 -2.248 -3.714) 4.342 9.528 ( -0.000 5.895 -3.152) 6.685 9.867 ( -0.000 1.732 -19.550) 19.627 10.743 ( -0.000 6.014 -17.059) 18.088 11.298 ( -0.000 -1.611 -28.931) 28.976 12.755 ( 0.000 3.804 15.035) 15.509 13.162 ( -0.000 -3.161 -12.193) 12.596 13.419 ( -0.000 -1.660 -13.776) 13.876 13.659 ( -0.000 0.956 -8.706) 8.759 14.187 ( 0.000 -7.603 3.691) 8.452 14.189 ( 0.000 -10.360 3.947) 11.086 16.893 ( -0.000 10.716 9.479) 14.307 16.949 ( 0.000 3.400 12.382) 12.840 25.174 ( 0.000 -0.357 6.206) 6.216 25.250 ( 0.000 -1.068 3.790) 3.937 25.700 ( 0.000 2.679 11.146) 11.463 25.712 ( 0.000 0.619 7.406) 7.432 26.255 ( 0.000 -12.087 5.954) 13.474 26.281 ( 0.000 -6.528 10.513) 12.375 27.325 ( -0.000 2.972 -12.580) 12.926 27.531 ( -0.000 -3.199 -10.290) 10.776======================= Grid point 245 (104/171) =======================q-point: ( 0.60 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.122 ( -0.094 4.729 7.699) 9.036 1.307 ( -3.918 9.830 10.624) 14.995 1.509 ( 2.636 -2.822 -2.686) 4.704 1.584 ( 1.031 -2.824 -3.935) 4.952 1.885 ( -2.574 -3.652 2.142) 4.955 1.939 ( 1.150 1.515 -0.699) 2.026 2.105 ( 2.637 3.060 1.911) 4.468 2.413 ( 1.370 -1.766 -1.794) 2.866 2.729 ( 9.419 1.921 22.295) 24.279 2.831 ( 4.771 2.448 25.326) 25.888 3.593 ( -1.727 2.444 22.879) 23.074 3.642 ( -4.551 2.343 27.506) 27.978 3.938 ( 3.241 2.153 -6.822) 7.854 4.108 ( -1.680 3.159 -3.885) 5.281 4.338 ( 6.176 -0.110 -4.364) 7.563 4.390 ( -3.097 -2.785 -10.975) 11.739 4.572 ( -4.642 -0.720 -10.453) 11.460 4.731 ( -6.631 -0.350 -18.979) 20.107 5.985 ( -0.283 5.458 19.773) 20.515 6.617 ( 3.697 -4.993 3.542) 7.151 8.167 ( 3.079 0.649 3.433) 4.656 8.418 ( -2.593 -1.855 -3.946) 5.073 9.474 ( 7.759 5.021 -5.328) 10.668 9.773 ( -4.128 3.690 -12.886) 14.025 10.712 ( -6.240 4.883 -13.648) 15.781 11.081 ( -4.928 -0.845 -24.667) 25.169 12.906 ( 1.651 3.001 12.202) 12.674 13.024 ( 3.746 -1.466 -4.800) 6.263 13.313 ( -1.578 -0.380 -10.008) 10.139 13.598 ( -1.565 -0.071 -8.915) 9.051 14.113 ( 0.071 -8.585 1.539) 8.722 14.199 ( -5.338 -8.624 2.949) 10.562 16.994 ( 5.617 5.987 7.521) 11.133 17.078 ( 0.789 4.888 7.698) 9.152 25.219 ( 0.517 -0.086 4.653) 4.682 25.257 ( 1.703 -0.643 3.498) 3.943 25.670 ( 11.619 0.325 6.596) 13.364 25.779 ( 5.800 1.356 6.574) 8.871 26.217 ( -1.901 -6.497 10.193) 12.236 26.395 ( -10.222 -8.827 7.552) 15.473 27.230 ( 2.832 3.415 -11.280) 12.121 27.453 ( -4.452 -1.938 -9.969) 11.089======================= Grid point 246 (105/171) =======================q-point: ( 0.70 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( -0.359 1.278 3.271) 3.530 1.389 ( 4.353 -1.358 2.441) 5.173 1.469 ( 4.016 -0.675 -0.688) 4.130 1.605 ( -6.493 5.310 3.534) 9.102 1.904 ( -1.271 -3.098 1.596) 3.709 1.935 ( -1.100 1.192 -1.616) 2.290 2.115 ( 4.415 3.981 5.942) 8.405 2.347 ( 2.759 -0.386 -3.686) 4.620 2.763 ( 13.005 -0.125 22.749) 26.204 2.963 ( 7.946 1.974 20.481) 22.057 3.721 ( 6.500 1.634 -7.245) 9.870 3.839 ( -2.325 3.053 13.317) 13.859 3.874 ( 5.728 1.302 4.450) 7.369 4.135 ( 7.345 -3.986 -0.701) 8.386 4.178 ( -2.985 0.590 1.947) 3.612 4.361 ( -6.263 -1.937 -8.879) 11.037 4.607 ( -9.246 1.694 -7.167) 11.820 4.707 ( -8.610 0.922 -15.745) 17.970 6.176 ( 2.411 4.500 15.155) 15.992 6.516 ( 6.725 -2.656 -0.011) 7.230 8.095 ( 4.701 -3.936 -0.518) 6.154 8.456 ( -5.339 0.592 -0.654) 5.412 9.364 ( 6.067 3.826 -1.450) 7.318 9.823 ( -6.279 5.025 -4.224) 9.084 10.743 ( -9.130 0.870 -13.561) 16.371 11.033 ( -11.187 1.528 -14.574) 18.436 12.851 ( 8.151 -2.462 0.390) 8.523 13.042 ( 1.152 3.603 5.635) 6.787 13.301 ( -3.937 2.041 -3.566) 5.690 13.553 ( -3.237 -0.963 -8.056) 8.736 14.055 ( -1.669 -7.479 -0.281) 7.669 14.233 ( -6.178 -7.745 1.358) 10.000 16.981 ( 8.579 3.533 4.733) 10.415 17.136 ( 4.226 3.912 4.807) 7.501 25.225 ( 2.796 1.280 1.860) 3.594 25.264 ( 0.624 -0.695 3.302) 3.431 25.495 ( 15.047 -0.101 2.385) 15.235 25.706 ( 6.730 -1.558 2.387) 7.309 26.343 ( -2.346 -0.953 14.845) 15.059 26.557 ( -11.792 -6.625 6.183) 14.872 27.089 ( 4.873 2.920 -13.363) 14.520 27.448 ( -6.096 -2.371 -6.490) 9.215======================= Grid point 247 (106/171) =======================q-point: (-0.20 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.198 ( 2.089 -1.844 -0.344) 2.808 1.298 ( 6.977 -3.157 -0.280) 7.663 1.432 ( -0.051 0.729 1.985) 2.115 1.762 ( -3.011 4.303 2.570) 5.847 1.902 ( -0.477 -1.979 1.060) 2.295 1.968 ( -3.061 0.883 -0.815) 3.289 2.142 ( 5.725 4.311 7.491) 10.367 2.253 ( 5.003 1.233 -4.387) 6.767 2.722 ( 13.635 -1.608 16.385) 21.377 2.945 ( 11.904 -0.759 7.711) 14.203 3.541 ( 6.228 -1.138 -6.188) 8.853 3.736 ( 11.922 1.400 -3.396) 12.476 3.801 ( 12.792 -1.878 -2.760) 13.220 4.140 ( -4.122 -0.525 10.599) 11.384 4.303 ( -4.469 0.044 4.806) 6.563 4.368 ( -6.484 -1.382 -6.463) 9.259 4.729 ( -12.396 2.579 -11.010) 16.779 4.761 ( -9.730 2.807 -3.677) 10.774 6.248 ( 7.326 3.223 8.795) 11.892 6.361 ( 8.470 -0.141 -3.537) 9.180 7.983 ( 3.234 -4.996 -0.045) 5.952 8.555 ( -5.187 1.586 0.661) 5.464 9.347 ( 1.198 2.614 2.647) 3.909 9.970 ( -7.947 4.824 0.965) 9.346 10.804 ( -13.419 -1.500 -8.902) 16.173 11.164 ( -14.236 2.043 -6.085) 15.616 12.685 ( 11.001 -2.089 0.424) 11.205 13.086 ( -0.019 2.088 1.407) 2.517 13.390 ( -5.018 3.302 0.486) 6.027 13.550 ( -4.755 -1.326 -4.093) 6.413 14.028 ( -3.510 -5.317 -1.181) 6.479 14.267 ( -5.699 -6.144 0.092) 8.380 16.881 ( 11.292 1.651 2.189) 11.620 17.104 ( 7.722 2.515 2.302) 8.441 25.207 ( 3.037 2.496 0.676) 3.989 25.269 ( 3.318 -1.991 1.409) 4.118 25.283 ( 10.298 1.468 0.142) 10.403 25.611 ( 4.258 -2.572 0.271) 4.982 26.472 ( 5.421 1.186 14.665) 15.679 26.740 ( -10.956 -3.414 5.636) 12.785 26.934 ( 0.981 4.751 -15.239) 15.993 27.461 ( -5.331 -5.380 -3.180) 8.215======================= Grid point 248 (107/171) =======================q-point: (-0.10 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 9.470 -3.950 -0.000) 10.260 1.144 ( 2.516 -0.650 -0.000) 2.599 1.474 ( -2.780 0.029 0.000) 2.780 1.821 ( 0.396 2.280 0.000) 2.314 1.903 ( -1.034 -1.820 -0.000) 2.093 2.013 ( -0.710 0.496 0.000) 0.866 2.083 ( 10.014 3.678 -0.000) 10.668 2.182 ( 4.962 2.697 -0.000) 5.647 2.584 ( 12.718 -1.561 -0.000) 12.813 2.751 ( 12.107 -2.598 -0.000) 12.383 3.396 ( 12.313 1.388 -0.000) 12.391 3.533 ( 13.574 1.441 -0.000) 13.650 3.546 ( 8.490 -6.642 -0.000) 10.779 4.216 ( -0.715 -1.097 -0.000) 1.310 4.377 ( -1.158 0.540 0.000) 1.278 4.477 ( -13.304 -0.857 0.000) 13.331 4.922 ( -8.178 2.221 0.000) 8.474 4.926 ( -16.253 3.552 0.000) 16.637 6.094 ( 16.150 1.416 -0.000) 16.212 6.293 ( 2.118 1.693 -0.000) 2.711 7.902 ( 2.506 -3.481 -0.000) 4.290 8.638 ( -2.984 1.477 0.000) 3.330 9.394 ( -2.403 1.598 0.000) 2.886 10.143 ( -7.741 3.488 0.000) 8.491 10.993 ( -17.478 -1.558 0.000) 17.547 11.386 ( -15.528 1.238 0.000) 15.577 12.481 ( 13.162 -1.726 -0.000) 13.274 13.120 ( -2.012 0.808 0.000) 2.168 13.509 ( -6.152 3.335 0.000) 6.998 13.592 ( -4.477 -2.554 0.000) 5.154 14.053 ( -5.317 -2.300 0.000) 5.794 14.303 ( -5.147 -3.863 0.000) 6.435 16.703 ( 13.920 0.096 -0.000) 13.920 16.986 ( 10.841 1.256 -0.000) 10.913 25.097 ( 9.784 -0.057 -0.000) 9.784 25.190 ( 2.651 2.502 -0.000) 3.646 25.276 ( -0.230 -0.075 0.000) 0.242 25.545 ( 0.980 -2.084 -0.000) 2.302 26.377 ( 14.768 0.075 -0.000) 14.769 26.922 ( -12.954 -4.178 0.000) 13.611 26.959 ( -1.159 13.978 0.000) 14.026 27.451 ( -4.640 -10.004 -0.000) 11.028======================= Grid point 255 (108/171) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( 0.000 4.806 8.437) 9.710 1.259 ( -0.000 9.333 8.210) 12.430 1.534 ( -0.000 -3.880 -2.591) 4.665 1.588 ( 0.000 -2.415 -3.146) 3.966 1.872 ( -0.000 1.158 -2.152) 2.443 1.912 ( 0.000 2.907 -2.652) 3.935 2.152 ( 0.000 -0.742 6.537) 6.579 2.405 ( 0.000 -1.590 -5.234) 5.470 2.927 ( -0.000 4.430 18.464) 18.988 3.095 ( -0.000 0.137 22.112) 22.112 3.765 ( 0.000 0.646 17.989) 18.000 3.824 ( -0.000 1.861 22.747) 22.823 3.870 ( 0.000 4.365 -11.055) 11.885 3.957 ( 0.000 5.378 -4.786) 7.200 4.359 ( 0.000 -1.535 -0.507) 1.617 4.390 ( -0.000 -3.467 -2.204) 4.109 4.460 ( 0.000 0.369 -7.937) 7.946 4.495 ( 0.000 -1.300 -19.394) 19.438 6.131 ( -0.000 3.672 22.514) 22.811 6.683 ( 0.000 -2.952 -4.320) 5.232 8.226 ( -0.000 -0.564 4.836) 4.869 8.382 ( 0.000 -3.448 -4.714) 5.840 9.462 ( -0.000 5.520 -3.512) 6.543 9.569 ( 0.000 3.858 -12.732) 13.303 10.524 ( 0.000 4.419 -6.629) 7.967 10.830 ( -0.000 0.212 -22.729) 22.730 13.001 ( 0.000 2.222 11.609) 11.819 13.037 ( 0.000 -1.793 -2.303) 2.918 13.235 ( -0.000 -0.307 -6.242) 6.250 13.493 ( -0.000 1.469 -10.327) 10.431 14.237 ( -0.000 -8.167 1.893) 8.383 14.239 ( 0.000 -9.650 1.786) 9.813 17.037 ( -0.000 7.325 6.475) 9.777 17.095 ( 0.000 3.600 4.393) 5.680 25.266 ( 0.000 -0.431 4.016) 4.039 25.302 ( -0.000 -0.730 1.905) 2.040 25.834 ( -0.000 1.276 5.979) 6.114 25.866 ( 0.000 2.859 6.459) 7.064 26.347 ( 0.000 -10.194 5.636) 11.648 26.447 ( 0.000 -9.517 6.549) 11.552 27.136 ( 0.000 4.698 -6.943) 8.383 27.328 ( -0.000 -0.886 -12.083) 12.116======================= Grid point 256 (109/171) =======================q-point: ( 0.70 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( 2.069 2.977 4.072) 5.452 1.443 ( -6.231 8.339 2.972) 10.826 1.483 ( 1.383 -2.742 1.176) 3.288 1.527 ( 2.030 -2.140 -2.635) 3.956 1.879 ( -0.727 1.438 -0.815) 1.805 1.914 ( -0.609 0.606 -1.553) 1.775 2.199 ( 2.007 1.273 7.371) 7.745 2.335 ( 1.204 -0.141 -6.302) 6.418 3.073 ( 6.150 1.619 15.252) 16.525 3.208 ( 4.069 0.997 11.304) 12.055 3.757 ( 7.099 2.806 -3.830) 8.540 3.905 ( -0.294 1.991 11.977) 12.144 3.977 ( 2.397 5.243 -3.715) 6.858 4.020 ( -4.251 2.861 1.619) 5.374 4.254 ( 3.970 -4.194 -3.330) 6.666 4.337 ( -0.473 -2.859 0.316) 2.915 4.417 ( -6.015 -0.621 -4.624) 7.612 4.472 ( -5.566 0.398 -8.221) 9.936 6.325 ( 2.587 2.467 16.957) 17.329 6.581 ( 3.027 -1.040 -7.532) 8.184 8.197 ( 3.788 -4.396 0.351) 5.813 8.364 ( -5.232 -1.324 -1.717) 5.663 9.401 ( 5.925 4.259 -2.306) 7.652 9.622 ( -7.323 5.956 -4.106) 10.294 10.549 ( -3.225 1.862 -4.266) 5.663 10.742 ( -8.579 2.282 -11.603) 14.610 12.981 ( 5.093 -1.398 1.129) 5.401 13.067 ( 0.759 1.418 0.887) 1.837 13.247 ( -1.644 1.381 5.296) 5.715 13.426 ( -1.953 1.257 -10.206) 10.467 14.134 ( 0.881 -9.365 0.643) 9.429 14.233 ( -5.074 -8.632 0.982) 10.061 17.085 ( 5.330 4.420 2.680) 7.425 17.163 ( 0.729 4.798 2.172) 5.317 25.274 ( 2.210 0.106 1.574) 2.715 25.303 ( 0.572 -0.609 1.436) 1.661 25.758 ( 14.588 0.778 2.877) 14.889 25.855 ( 7.592 -0.101 1.974) 7.845 26.384 ( -7.727 -7.530 7.538) 13.161 26.485 ( -9.945 -6.598 1.597) 12.041 27.073 ( 6.485 2.014 -5.181) 8.541 27.303 ( -6.435 1.023 -5.588) 8.584======================= Grid point 257 (110/171) =======================q-point: ( 0.80 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.234 ( 1.126 -0.473 -0.000) 1.222 1.421 ( 4.905 -2.979 -0.000) 5.739 1.458 ( 2.902 0.413 -0.000) 2.931 1.640 ( -7.322 6.382 0.000) 9.713 1.907 ( -1.660 1.825 0.000) 2.467 1.913 ( -1.076 -2.253 -0.000) 2.497 2.235 ( 2.903 3.614 0.000) 4.635 2.261 ( 3.635 1.202 -0.000) 3.829 3.003 ( 11.001 -1.575 -0.000) 11.113 3.169 ( 9.059 -0.368 -0.000) 9.066 3.635 ( 8.278 0.518 -0.000) 8.294 3.862 ( 9.847 3.274 -0.000) 10.377 3.971 ( 8.548 0.706 -0.000) 8.577 4.109 ( -8.616 3.354 0.000) 9.246 4.200 ( -2.266 -4.238 -0.000) 4.806 4.365 ( -1.961 -1.941 -0.000) 2.759 4.483 ( -7.906 1.490 0.000) 8.045 4.562 ( -9.705 2.191 0.000) 9.949 6.361 ( 4.373 1.085 -0.000) 4.506 6.467 ( 7.453 1.418 -0.000) 7.587 8.086 ( 3.537 -6.010 -0.000) 6.974 8.453 ( -6.482 0.781 0.000) 6.529 9.360 ( 3.095 3.378 0.000) 4.582 9.788 ( -8.457 6.149 0.000) 10.456 10.606 ( -8.042 -0.807 0.000) 8.082 10.899 ( -12.955 2.946 0.000) 13.286 12.862 ( 8.895 -1.686 -0.000) 9.053 13.075 ( 0.288 1.917 0.000) 1.938 13.325 ( -1.862 1.829 0.000) 2.610 13.440 ( -5.078 1.402 0.000) 5.268 14.055 ( -1.226 -8.433 -0.000) 8.522 14.245 ( -5.686 -7.842 -0.000) 9.686 17.023 ( 8.411 2.950 -0.000) 8.913 17.177 ( 4.173 3.930 -0.000) 5.732 25.242 ( 3.331 1.437 -0.000) 3.627 25.294 ( 0.725 -0.647 -0.000) 0.971 25.517 ( 16.653 -0.059 -0.000) 16.653 25.728 ( 7.221 -2.304 -0.000) 7.579 26.504 ( -9.547 -5.720 0.000) 11.129 26.637 ( -9.059 2.572 0.000) 9.417 26.919 ( 8.323 -1.627 -0.000) 8.481 27.387 ( -6.301 -1.095 0.000) 6.395======================= Grid point 263 (111/171) =======================q-point: ( 0.30 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 6.797 0.000 9.554) 11.725 1.214 ( -10.072 0.000 9.710) 13.990 1.362 ( 4.227 0.000 6.753) 7.967 1.473 ( -3.924 -0.000 -2.640) 4.729 1.598 ( -1.843 0.000 2.927) 3.459 1.864 ( -1.057 0.000 1.593) 1.911 1.941 ( -13.646 0.000 21.964) 25.858 2.189 ( 2.353 -0.000 -2.784) 3.645 2.362 ( 1.774 0.000 9.376) 9.542 2.396 ( -2.640 -0.000 -8.579) 8.976 3.559 ( 10.935 0.000 16.755) 20.008 3.630 ( 0.595 0.000 3.190) 3.245 3.904 ( -1.455 -0.000 -4.450) 4.682 3.995 ( -3.987 0.000 7.652) 8.629 4.132 ( -3.495 0.000 1.393) 3.763 4.831 ( 5.719 -0.000 -12.403) 13.658 4.948 ( 1.571 -0.000 -10.418) 10.536 5.308 ( 6.710 -0.000 -17.239) 18.499 5.779 ( -0.045 0.000 6.613) 6.613 6.245 ( -11.651 0.000 -1.024) 11.696 7.968 ( -0.885 0.000 11.107) 11.143 8.601 ( 0.176 -0.000 -3.986) 3.990 9.165 ( 2.085 0.000 3.004) 3.656 9.838 ( 2.758 -0.000 -7.778) 8.253 11.273 ( 11.964 -0.000 -3.128) 12.366 11.567 ( 4.244 -0.000 -13.416) 14.071 12.705 ( 1.930 0.000 16.862) 16.972 12.972 ( -2.753 -0.000 -7.515) 8.003 13.231 ( -3.244 -0.000 -12.476) 12.891 13.835 ( 3.737 -0.000 -7.277) 8.181 14.343 ( -1.384 0.000 2.953) 3.261 14.618 ( -1.822 0.000 3.588) 4.024 16.482 ( -0.880 0.000 9.781) 9.820 16.746 ( -2.064 0.000 2.892) 3.553 25.085 ( -0.676 -0.000 -2.765) 2.846 25.158 ( -2.712 -0.000 -2.470) 3.669 25.192 ( -3.856 0.000 6.994) 7.987 25.540 ( 0.795 -0.000 -2.159) 2.301 25.952 ( -7.925 0.000 10.947) 13.515 26.898 ( -10.416 -0.000 -12.407) 16.200 27.212 ( 9.464 0.000 6.927) 11.728 27.788 ( 0.039 -0.000 -2.230) 2.230======================= Grid point 267 (112/171) =======================q-point: (-0.30 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.281 ( -0.000 5.471 -4.565) 7.126 1.281 ( -0.000 5.471 4.565) 7.126 1.540 ( 0.000 -2.340 -2.423) 3.369 1.540 ( 0.000 -2.340 2.423) 3.369 1.864 ( -0.000 3.228 -1.732) 3.663 1.864 ( -0.000 3.228 1.732) 3.663 2.286 ( -0.000 -1.325 -7.780) 7.892 2.286 ( 0.000 -1.325 7.780) 7.892 3.214 ( -0.000 2.544 -10.297) 10.607 3.214 ( 0.000 2.544 10.297) 10.607 3.815 ( -0.000 3.579 -6.777) 7.664 3.815 ( 0.000 3.579 6.777) 7.664 3.999 ( -0.000 2.506 -7.010) 7.444 3.999 ( 0.000 2.506 7.010) 7.444 4.301 ( -0.000 -2.525 -1.062) 2.739 4.301 ( 0.000 -2.525 1.062) 2.739 4.404 ( 0.000 -1.247 -1.898) 2.271 4.404 ( 0.000 -1.247 1.898) 2.271 6.492 ( -0.000 0.589 -16.787) 16.798 6.492 ( 0.000 0.589 16.787) 16.798 8.301 ( -0.000 -3.473 -4.078) 5.356 8.301 ( 0.000 -3.473 4.078) 5.356 9.440 ( -0.000 5.205 -1.566) 5.435 9.440 ( 0.000 5.205 1.566) 5.435 10.541 ( -0.000 2.436 -8.858) 9.187 10.541 ( 0.000 2.436 8.858) 9.187 13.054 ( -0.000 -0.939 -2.888) 3.036 13.054 ( 0.000 -0.939 2.888) 3.036 13.300 ( -0.000 2.025 -10.856) 11.043 13.300 ( 0.000 2.025 10.856) 11.043 14.254 ( 0.000 -8.760 -0.007) 8.760 14.254 ( 0.000 -8.760 0.007) 8.760 17.114 ( -0.000 4.786 -1.868) 5.137 17.114 ( -0.000 4.786 1.868) 5.137 25.311 ( -0.000 -0.514 -0.931) 1.063 25.311 ( 0.000 -0.514 0.931) 1.063 25.906 ( -0.000 2.125 -1.351) 2.518 25.906 ( 0.000 2.125 1.351) 2.518 26.456 ( 0.000 -10.415 -5.023) 11.563 26.456 ( 0.000 -10.415 5.023) 11.563 27.141 ( -0.000 3.068 -7.005) 7.648 27.141 ( 0.000 3.068 7.005) 7.648======================= Grid point 274 (113/171) =======================q-point: ( 0.30 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( -8.760 0.012 -0.335) 8.766 1.229 ( -2.847 0.152 0.185) 2.857 1.462 ( 2.843 -0.328 4.103) 5.003 1.527 ( -1.346 -0.191 18.017) 18.068 1.622 ( 3.219 -1.135 -0.139) 3.416 1.858 ( -0.959 1.459 1.722) 2.452 1.910 ( -13.277 0.522 19.114) 23.279 2.183 ( -0.758 -0.038 -2.616) 2.724 2.279 ( -1.974 0.712 -7.914) 8.188 2.452 ( -0.314 -0.988 7.054) 7.130 3.508 ( -9.177 0.747 -13.165) 16.065 3.583 ( -13.169 0.115 -16.618) 21.204 3.950 ( 12.382 0.932 15.544) 19.894 4.118 ( -3.130 -1.077 6.264) 7.085 4.165 ( 5.924 1.127 15.344) 16.487 4.837 ( 7.205 -0.815 -9.296) 11.790 4.894 ( 2.761 -0.418 -8.923) 9.350 5.240 ( 4.270 0.248 -15.215) 15.805 5.781 ( -3.908 0.175 0.646) 3.965 6.033 ( -11.583 -1.333 -5.589) 12.930 8.053 ( -0.283 0.797 10.189) 10.224 8.547 ( -1.306 -0.212 -5.353) 5.514 9.325 ( 8.893 1.527 12.650) 15.539 9.885 ( 6.410 -2.065 -1.338) 6.866 11.443 ( 10.690 0.921 1.859) 10.890 11.570 ( 7.222 -1.101 -5.807) 9.333 12.784 ( -2.254 4.921 -3.328) 6.353 12.961 ( 3.881 2.969 11.669) 12.650 13.129 ( -0.494 -9.040 -9.628) 13.216 13.833 ( 4.597 -0.493 -8.355) 9.549 14.339 ( -2.848 1.503 5.444) 6.325 14.601 ( -3.086 1.219 2.789) 4.335 16.523 ( -1.986 0.264 4.487) 4.913 16.712 ( -3.342 -0.655 -1.962) 3.930 25.047 ( -1.030 -0.096 -4.521) 4.638 25.057 ( -2.983 -0.422 -4.015) 5.020 25.241 ( -0.021 0.104 6.292) 6.293 25.527 ( 1.164 -0.769 -4.713) 4.915 25.917 ( -8.867 0.230 10.538) 13.774 26.613 ( -12.384 -1.448 -13.311) 18.238 27.394 ( 7.719 3.513 8.029) 11.678 27.787 ( 1.222 -1.159 -1.619) 2.336======================= Grid point 275 (114/171) =======================q-point: ( 0.40 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( -9.905 0.000 1.431) 10.007 1.275 ( -0.296 -0.000 3.989) 4.000 1.467 ( -0.028 -0.000 2.600) 2.600 1.527 ( 6.068 0.000 3.580) 7.046 1.758 ( -4.009 0.000 13.095) 13.695 1.919 ( -3.888 0.000 5.712) 6.910 2.022 ( 2.844 0.000 -6.529) 7.122 2.243 ( -5.438 0.000 -8.628) 10.199 2.464 ( -13.501 0.000 25.979) 29.278 2.584 ( -5.630 -0.000 16.186) 17.138 3.545 ( -8.876 -0.000 -10.771) 13.957 3.640 ( -12.355 0.000 -15.365) 19.716 3.903 ( 12.393 -0.000 16.690) 20.789 4.228 ( -3.169 0.000 7.603) 8.237 4.243 ( 2.515 0.000 15.317) 15.522 4.559 ( 12.054 0.000 -17.323) 21.104 4.724 ( 5.211 -0.000 -12.857) 13.873 4.977 ( 8.338 0.000 -19.354) 21.074 5.909 ( -6.898 0.000 8.119) 10.654 6.189 ( -13.995 0.000 -5.531) 15.048 8.175 ( -1.815 -0.000 11.605) 11.746 8.506 ( -0.610 -0.000 -6.780) 6.807 9.325 ( 7.175 -0.000 13.771) 15.528 9.735 ( 7.437 -0.000 -5.642) 9.335 11.222 ( 16.673 -0.000 -2.706) 16.891 11.331 ( 12.326 0.000 -11.733) 17.018 12.833 ( -3.796 0.000 -1.076) 3.946 13.021 ( -3.830 -0.000 -10.745) 11.408 13.054 ( 3.406 -0.000 16.250) 16.603 13.633 ( 6.051 0.000 -14.511) 15.722 14.436 ( -1.077 0.000 6.497) 6.585 14.625 ( 0.420 -0.000 -2.438) 2.474 16.646 ( -5.406 0.000 8.191) 9.815 16.781 ( -6.051 -0.000 0.600) 6.081 25.050 ( -3.603 -0.000 -1.007) 3.741 25.096 ( -5.711 0.000 -3.254) 6.573 25.332 ( -3.563 -0.000 7.419) 8.230 25.505 ( -2.561 0.000 -2.417) 3.521 26.163 ( -9.039 -0.000 12.944) 15.788 26.660 ( -10.142 0.000 -14.264) 17.503 27.359 ( 9.175 0.000 9.500) 13.207 27.696 ( 4.466 -0.000 -7.694) 8.896======================= Grid point 285 (115/171) =======================q-point: ( 0.30 -0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( -5.891 -0.044 -0.630) 5.925 1.126 ( -6.023 0.227 -4.218) 7.357 1.561 ( 2.263 0.658 5.904) 6.357 1.622 ( -1.904 -1.683 10.155) 10.468 1.702 ( 2.098 0.945 3.356) 4.069 1.824 ( -4.370 2.865 5.079) 7.287 1.863 ( -10.536 0.550 13.687) 17.282 2.115 ( -1.614 0.297 -6.305) 6.515 2.189 ( -3.052 1.122 -3.502) 4.779 2.491 ( -2.277 -1.788 2.487) 3.817 3.129 ( -16.925 1.925 -21.324) 27.292 3.197 ( -14.772 -0.411 -17.725) 23.077 4.103 ( -2.307 1.012 7.378) 7.797 4.253 ( 4.039 -1.609 8.877) 9.884 4.382 ( 11.910 7.197 10.927) 17.693 4.896 ( 4.142 -2.318 -2.595) 5.409 4.926 ( 8.093 -2.280 -2.580) 8.795 5.197 ( 4.956 -1.568 -10.848) 12.029 5.664 ( -6.380 2.436 -3.844) 7.837 5.872 ( -6.801 -6.533 -5.184) 10.761 8.103 ( -0.065 4.745 6.328) 7.909 8.494 ( -1.209 -2.969 -4.334) 5.391 9.570 ( 9.781 4.608 12.815) 16.767 10.021 ( 6.694 -4.819 0.621) 8.271 11.603 ( 8.929 3.374 5.748) 11.142 11.730 ( 10.844 -3.154 3.813) 11.920 12.594 ( -3.793 11.310 -8.528) 14.664 13.067 ( 2.058 -7.185 -1.228) 7.574 13.268 ( 6.406 -5.592 9.459) 12.720 13.838 ( 4.819 -2.051 -9.827) 11.136 14.334 ( -2.859 2.810 8.595) 9.484 14.559 ( -3.177 1.419 2.108) 4.068 16.494 ( -2.689 1.710 -0.430) 3.216 16.618 ( -4.981 -0.391 -5.702) 7.581 24.972 ( -1.440 0.619 -4.053) 4.345 25.024 ( -0.107 -1.754 -3.505) 3.920 25.292 ( 1.135 0.588 3.887) 4.091 25.516 ( 1.544 -2.296 -5.129) 5.828 25.856 ( -9.717 0.696 9.231) 13.421 26.316 ( -13.296 -3.343 -13.342) 19.130 27.531 ( 6.478 4.945 7.120) 10.822 27.811 ( 1.309 -1.695 -0.986) 2.358======================= Grid point 286 (116/171) =======================q-point: ( 0.40 0.70 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( -10.195 1.205 3.409) 10.817 1.202 ( -7.580 -0.637 -2.426) 7.984 1.549 ( 4.036 0.002 4.415) 5.982 1.613 ( 3.146 -1.551 -1.248) 3.723 1.849 ( -2.690 0.132 15.871) 16.098 1.908 ( -2.159 2.036 4.052) 5.023 2.007 ( 0.368 -0.765 -4.673) 4.749 2.080 ( -4.287 0.159 -9.427) 10.358 2.443 ( -14.188 1.758 19.820) 24.439 2.593 ( -8.136 -1.252 6.489) 10.481 3.233 ( -15.289 0.982 -13.906) 20.690 3.273 ( -14.907 -0.925 -14.992) 21.162 4.204 ( 4.941 4.926 9.956) 12.158 4.268 ( 0.866 -2.290 9.482) 9.793 4.382 ( 5.166 4.583 6.673) 9.603 4.644 ( 13.339 -4.627 -10.833) 17.796 4.769 ( 8.848 -1.391 -0.198) 8.959 4.948 ( 8.870 -0.604 -16.092) 18.385 5.821 ( -10.764 1.642 3.144) 11.334 5.941 ( -12.024 -3.496 -4.440) 13.285 8.227 ( -1.748 4.073 8.444) 9.537 8.435 ( -1.279 -3.247 -6.588) 7.456 9.575 ( 9.652 4.553 12.829) 16.688 9.836 ( 8.571 -5.460 -4.960) 11.308 11.450 ( 15.891 2.866 -0.745) 16.164 11.504 ( 15.577 -2.639 -1.346) 15.856 12.717 ( -4.980 9.161 -1.721) 10.568 12.935 ( -1.601 -9.132 -6.019) 11.054 13.281 ( 5.899 0.207 16.772) 17.780 13.606 ( 6.591 -2.524 -15.417) 16.955 14.465 ( -1.174 3.216 7.103) 7.885 14.590 ( -0.873 0.523 -3.414) 3.562 16.601 ( -6.504 1.222 3.659) 7.562 16.677 ( -7.252 -1.637 -1.970) 7.691 24.988 ( -3.264 0.405 -1.796) 3.747 25.004 ( -2.646 -1.210 -1.689) 3.364 25.342 ( -1.345 1.672 4.634) 5.106 25.455 ( -1.395 -2.457 -3.505) 4.502 26.123 ( -10.870 0.228 12.644) 16.676 26.369 ( -11.781 -1.429 -13.850) 18.239 27.537 ( 6.967 5.227 7.056) 11.209 27.720 ( 4.467 -2.780 -4.943) 7.219======================= Grid point 287 (117/171) =======================q-point: (-0.50 -0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.292 ( -6.170 0.000 -0.408) 6.183 1.292 ( -6.170 0.000 0.408) 6.183 1.529 ( 3.157 0.000 -2.044) 3.761 1.529 ( 3.157 0.000 2.044) 3.761 1.909 ( 3.436 -0.000 -6.020) 6.932 1.909 ( 3.436 0.000 6.020) 6.932 2.077 ( -6.226 -0.000 -10.070) 11.839 2.077 ( -6.226 0.000 10.070) 11.839 2.788 ( -12.926 -0.000 -2.428) 13.152 2.788 ( -12.926 0.000 2.428) 13.152 3.404 ( -13.550 -0.000 -3.073) 13.894 3.404 ( -13.550 0.000 3.073) 13.894 4.215 ( 11.372 -0.000 -15.715) 19.398 4.215 ( 11.372 0.000 15.715) 19.398 4.389 ( 0.436 -0.000 -3.347) 3.376 4.389 ( 0.436 0.000 3.347) 3.376 4.668 ( 9.175 -0.000 -12.400) 15.426 4.668 ( 9.175 0.000 12.400) 15.426 6.060 ( -11.878 -0.000 -8.434) 14.568 6.060 ( -11.878 0.000 8.434) 14.568 8.363 ( -1.541 -0.000 -8.793) 8.926 8.363 ( -1.541 0.000 8.793) 8.926 9.579 ( 8.918 -0.000 -11.611) 14.640 9.579 ( 8.918 0.000 11.611) 14.640 11.205 ( 17.519 0.000 -1.552) 17.588 11.205 ( 17.519 0.000 1.552) 17.588 12.871 ( -4.488 0.000 -4.328) 6.235 12.871 ( -4.488 0.000 4.328) 6.235 13.352 ( 5.042 -0.000 -16.448) 17.204 13.352 ( 5.042 0.000 16.448) 17.204 14.548 ( 0.383 -0.000 -5.436) 5.449 14.548 ( 0.383 0.000 5.436) 5.449 16.754 ( -7.057 -0.000 -3.443) 7.853 16.754 ( -7.057 0.000 3.443) 7.853 25.053 ( -5.534 -0.000 -1.379) 5.703 25.053 ( -5.534 0.000 1.379) 5.703 25.442 ( -3.859 0.000 -4.254) 5.744 25.442 ( -3.859 0.000 4.254) 5.744 26.405 ( -9.753 -0.000 -14.262) 17.278 26.405 ( -9.753 0.000 14.262) 17.278 27.535 ( 7.595 -0.000 -9.049) 11.814 27.535 ( 7.595 0.000 9.049) 11.814======================= Grid point 296 (118/171) =======================q-point: ( 0.30 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( -4.817 0.506 1.571) 5.091 0.985 ( -5.868 0.682 -5.642) 8.169 1.574 ( -3.709 6.764 1.288) 7.821 1.659 ( -3.056 0.982 3.080) 4.448 1.699 ( -0.077 -1.135 4.230) 4.380 1.802 ( -5.514 2.781 8.420) 10.442 1.845 ( -4.666 -2.075 10.209) 11.414 2.017 ( -2.852 1.440 -11.061) 11.513 2.089 ( -6.004 0.995 2.372) 6.532 2.371 ( -11.496 -0.851 -19.225) 22.416 2.716 ( -10.738 1.165 -4.860) 11.844 2.871 ( -12.014 -1.707 -9.533) 15.431 4.095 ( -4.659 1.131 4.253) 6.409 4.326 ( 0.560 -3.525 0.039) 3.570 4.560 ( 13.502 13.239 4.656) 19.475 4.922 ( -3.026 -0.629 -0.480) 3.128 5.111 ( 7.513 -4.010 7.187) 11.144 5.239 ( 6.303 -4.127 -6.071) 9.676 5.571 ( 0.484 -0.738 -1.528) 1.765 5.838 ( -1.267 -8.670 -4.126) 9.685 8.069 ( -0.151 8.692 1.342) 8.796 8.495 ( -0.458 -4.592 -1.251) 4.781 9.725 ( 5.855 6.360 5.565) 10.281 10.175 ( 5.040 -6.534 0.934) 8.305 11.776 ( 8.063 3.890 10.653) 13.915 11.978 ( 10.974 -2.862 5.086) 12.429 12.330 ( -4.513 13.463 -9.808) 17.257 13.188 ( 3.696 -12.339 -1.447) 12.962 13.499 ( 6.966 -1.593 9.132) 11.596 13.850 ( 3.472 -4.360 -8.300) 9.997 14.352 ( -0.929 3.987 8.605) 9.530 14.525 ( -1.898 0.718 2.247) 3.028 16.414 ( -2.863 2.836 -2.131) 4.558 16.470 ( -5.728 1.055 -7.325) 9.359 24.924 ( -0.020 0.925 -2.492) 2.659 25.022 ( 0.413 -2.438 -1.757) 3.034 25.327 ( 1.512 1.454 1.014) 2.330 25.539 ( 1.675 -4.415 -1.971) 5.117 25.760 ( -9.734 1.784 4.884) 11.036 26.047 ( -12.626 -5.529 -9.696) 16.852 27.633 ( 5.758 4.222 4.211) 8.289 27.830 ( 0.196 -0.798 -0.374) 0.903======================= Grid point 297 (119/171) =======================q-point: ( 0.40 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -7.125 1.195 0.000) 7.224 1.064 ( -8.594 -1.442 0.000) 8.714 1.634 ( 3.431 -0.175 -0.000) 3.436 1.650 ( 1.219 -0.807 -0.000) 1.462 1.793 ( -6.716 6.142 0.000) 9.101 1.956 ( -2.273 -0.737 0.000) 2.389 1.963 ( -1.498 0.464 0.000) 1.569 1.963 ( -3.155 -0.854 0.000) 3.268 2.336 ( -11.520 2.788 0.000) 11.852 2.436 ( -13.575 -2.194 0.000) 13.752 2.900 ( -14.956 2.539 0.000) 15.170 2.996 ( -13.572 -2.476 0.000) 13.796 4.205 ( -3.300 2.511 0.000) 4.147 4.304 ( -1.628 -2.607 -0.000) 3.074 4.492 ( 13.665 12.706 -0.000) 18.660 4.852 ( 8.012 -6.615 -0.000) 10.390 4.972 ( 12.010 -0.464 -0.000) 12.019 5.017 ( 9.325 -3.973 -0.000) 10.137 5.634 ( -8.961 2.220 0.000) 9.232 5.828 ( -8.166 -7.584 0.000) 11.144 8.172 ( -1.564 8.165 0.000) 8.313 8.443 ( -0.550 -6.116 -0.000) 6.141 9.710 ( 8.094 7.305 -0.000) 10.903 10.012 ( 7.360 -8.138 -0.000) 10.973 11.662 ( 14.403 3.037 -0.000) 14.720 11.769 ( 14.819 -2.541 -0.000) 15.035 12.510 ( -6.439 12.713 0.000) 14.251 13.015 ( 1.336 -12.942 -0.000) 13.011 13.461 ( 6.972 2.971 -0.000) 7.578 13.664 ( 6.223 -6.701 -0.000) 9.145 14.447 ( -0.597 5.397 0.000) 5.430 14.552 ( -1.231 -0.000 0.000) 1.231 16.499 ( -5.625 2.394 0.000) 6.113 16.559 ( -8.348 -1.240 0.000) 8.439 24.934 ( -1.556 0.900 0.000) 1.797 24.991 ( -0.503 -2.253 -0.000) 2.309 25.336 ( 0.422 2.258 0.000) 2.297 25.464 ( 0.518 -4.363 -0.000) 4.394 26.004 ( -12.717 2.589 0.000) 12.977 26.131 ( -11.771 -4.946 0.000) 12.768 27.609 ( 6.156 6.181 0.000) 8.724 27.787 ( 2.728 -2.701 -0.000) 3.839======================= Grid point 306 (120/171) =======================q-point: ( 0.30 -0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( -7.612 3.024 0.000) 8.191 0.831 ( -6.693 3.581 0.000) 7.591 1.404 ( -4.987 10.521 0.000) 11.643 1.639 ( -3.437 -0.293 0.000) 3.449 1.704 ( -13.677 5.875 0.000) 14.885 1.740 ( 0.947 -1.467 -0.000) 1.746 1.817 ( -2.823 -1.836 0.000) 3.367 1.906 ( -14.516 1.994 0.000) 14.653 1.917 ( -1.064 -1.582 -0.000) 1.906 2.101 ( -2.769 0.901 0.000) 2.912 2.651 ( -1.712 -2.559 -0.000) 3.079 2.687 ( -8.750 -1.639 0.000) 8.902 4.017 ( -5.894 0.562 0.000) 5.921 4.393 ( 2.963 -4.887 -0.000) 5.716 4.643 ( 12.055 14.658 0.000) 18.978 4.819 ( -7.778 1.170 0.000) 7.866 5.249 ( -5.339 -9.108 -0.000) 10.557 5.368 ( 10.251 -2.850 -0.000) 10.640 5.629 ( 3.401 -2.363 -0.000) 4.141 5.947 ( 7.333 -8.840 -0.000) 11.486 7.981 ( 0.102 10.487 0.000) 10.488 8.524 ( -0.307 -3.373 -0.000) 3.387 9.736 ( 0.460 6.199 0.000) 6.216 10.303 ( 3.148 -6.120 -0.000) 6.882 11.937 ( 6.633 2.694 -0.000) 7.159 12.041 ( -4.305 15.018 0.000) 15.623 12.189 ( 7.331 -2.167 -0.000) 7.644 13.373 ( 4.831 -13.245 -0.000) 14.098 13.640 ( 4.839 -0.466 -0.000) 4.861 13.890 ( 0.656 -4.999 -0.000) 5.042 14.356 ( 0.578 4.103 0.000) 4.144 14.526 ( -0.133 -0.249 -0.000) 0.283 16.298 ( -7.045 2.308 0.000) 7.414 16.377 ( 2.637 3.565 0.000) 4.434 24.911 ( 0.814 0.827 0.000) 1.160 25.047 ( 0.678 -2.457 -0.000) 2.549 25.332 ( 0.889 1.791 0.000) 1.999 25.598 ( -1.993 -6.494 -0.000) 6.793 25.601 ( -8.817 2.678 0.000) 9.215 25.894 ( -7.381 -5.586 0.000) 9.257 27.702 ( 4.751 2.719 -0.000) 5.474 27.822 ( -1.205 0.506 0.000) 1.307======================= Grid point 316 (121/171) =======================q-point: ( 0.30 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( -0.000 9.551 0.000) 9.551 0.678 ( -0.000 10.386 0.000) 10.386 1.339 ( 0.000 -1.744 -0.000) 1.744 1.358 ( -0.000 20.352 0.000) 20.352 1.573 ( 0.000 -2.963 -0.000) 2.963 1.725 ( -0.000 4.311 0.000) 4.311 1.769 ( 0.000 -1.713 -0.000) 1.713 1.802 ( 0.000 -3.103 -0.000) 3.103 1.879 ( 0.000 -2.835 -0.000) 2.835 2.070 ( -0.000 0.742 0.000) 0.742 2.541 ( 0.000 -0.721 -0.000) 0.721 2.624 ( 0.000 -4.461 -0.000) 4.461 3.898 ( -0.000 1.364 0.000) 1.364 4.487 ( 0.000 -10.936 -0.000) 10.936 4.641 ( -0.000 5.816 0.000) 5.816 4.928 ( -0.000 11.569 0.000) 11.569 5.006 ( 0.000 -6.131 -0.000) 6.131 5.572 ( 0.000 -4.502 -0.000) 4.502 5.660 ( 0.000 -0.602 -0.000) 0.602 6.154 ( 0.000 -10.089 -0.000) 10.089 7.995 ( -0.000 11.533 0.000) 11.533 8.522 ( 0.000 -2.332 -0.000) 2.332 9.695 ( -0.000 9.616 0.000) 9.616 10.351 ( 0.000 -6.065 -0.000) 6.065 11.985 ( -0.000 17.938 0.000) 17.938 12.035 ( -0.000 2.794 0.000) 2.794 12.300 ( 0.000 -3.333 -0.000) 3.333 13.458 ( 0.000 -16.573 -0.000) 16.573 13.718 ( -0.000 1.182 0.000) 1.182 13.876 ( 0.000 -3.089 -0.000) 3.089 14.368 ( -0.000 3.074 0.000) 3.074 14.525 ( 0.000 -1.191 -0.000) 1.191 16.183 ( -0.000 3.989 0.000) 3.989 16.471 ( 0.000 -3.253 -0.000) 3.253 24.932 ( -0.000 0.671 0.000) 0.671 25.063 ( 0.000 -2.236 -0.000) 2.236 25.341 ( -0.000 1.820 0.000) 1.820 25.443 ( 0.000 -0.820 -0.000) 0.820 25.464 ( -0.000 3.417 0.000) 3.417 25.866 ( 0.000 -5.739 -0.000) 5.739 27.777 ( -0.000 1.322 0.000) 1.322 27.787 ( -0.000 1.180 0.000) 1.180======================= Grid point 317 (122/171) =======================q-point: ( 0.40 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( -1.868 7.558 7.044) 10.499 0.840 ( -4.069 5.091 9.399) 11.438 1.429 ( -4.052 0.105 7.412) 8.448 1.511 ( -2.027 5.711 -2.939) 6.736 1.693 ( -2.294 3.821 7.299) 8.552 1.739 ( -0.684 0.142 1.808) 1.939 1.784 ( -4.239 -1.069 5.149) 6.755 1.808 ( -2.232 2.503 3.178) 4.620 1.926 ( -4.840 -0.756 10.410) 11.505 2.091 ( -2.046 -0.475 4.355) 4.835 2.557 ( -3.064 -1.578 -2.103) 4.038 2.616 ( -3.394 -3.150 3.948) 6.085 3.951 ( -3.472 2.920 -0.453) 4.559 4.364 ( 1.447 -9.094 -0.885) 9.251 4.743 ( -4.976 3.724 1.308) 6.351 4.874 ( 6.119 4.816 -3.514) 8.543 5.078 ( -5.013 1.523 -4.178) 6.701 5.457 ( 5.873 -4.593 -3.169) 8.101 5.649 ( 1.392 0.304 -1.113) 1.808 6.003 ( 6.973 -9.398 2.316) 11.929 8.096 ( 1.122 10.393 1.150) 10.517 8.492 ( 0.133 -3.489 -0.129) 3.494 9.794 ( -0.543 8.924 -0.850) 8.981 10.273 ( 1.433 -6.778 -1.407) 7.070 11.911 ( 1.740 8.215 -19.928) 21.625 12.198 ( 3.297 -3.529 -8.776) 10.017 12.281 ( 0.140 13.454 15.999) 20.905 13.288 ( 2.103 -16.950 1.756) 17.170 13.688 ( 4.539 0.243 -4.327) 6.275 13.865 ( -1.938 -3.250 2.884) 4.758 14.337 ( 0.299 2.729 -12.576) 12.872 14.461 ( -1.797 -0.746 -11.301) 11.468 16.296 ( -2.504 3.724 10.928) 11.814 16.472 ( 2.189 -1.539 10.481) 10.817 24.943 ( 0.649 0.945 2.233) 2.510 25.043 ( 0.674 -2.261 1.515) 2.804 25.367 ( 0.688 1.736 1.669) 2.504 25.480 ( -3.348 -0.109 0.744) 3.431 25.566 ( -5.265 0.615 7.250) 8.981 25.818 ( -0.386 -5.391 2.817) 6.095 27.755 ( 2.168 1.589 -3.763) 4.625 27.801 ( -1.346 0.496 -1.449) 2.039======================= Grid point 318 (123/171) =======================q-point: ( 0.50 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( 0.507 3.975 10.422) 11.166 0.999 ( -1.834 1.554 9.211) 9.520 1.485 ( -5.100 -0.101 -5.422) 7.444 1.573 ( 0.307 0.350 -1.142) 1.233 1.668 ( 2.008 1.244 -3.032) 3.844 1.758 ( -1.738 1.945 1.307) 2.918 1.794 ( 1.711 0.542 -0.123) 1.799 2.048 ( -3.305 -0.905 6.598) 7.434 2.084 ( -3.794 1.829 11.717) 12.451 2.387 ( -9.385 0.203 22.160) 24.067 2.600 ( -11.022 0.196 5.479) 12.311 2.783 ( -10.932 -1.292 13.263) 17.236 4.010 ( -2.668 1.939 -3.800) 5.032 4.290 ( -0.627 -4.945 0.116) 4.986 4.745 ( 6.573 3.241 -10.006) 12.403 4.879 ( -3.186 4.343 -0.066) 5.387 5.054 ( 0.689 -1.192 -8.882) 8.988 5.306 ( 3.630 -2.953 -3.040) 5.580 5.631 ( 2.558 2.619 4.368) 5.699 5.866 ( 5.469 -8.393 8.979) 13.453 8.153 ( 2.794 7.314 -1.390) 7.952 8.465 ( -0.588 -3.573 1.863) 4.072 9.812 ( 4.885 6.764 -6.371) 10.497 10.167 ( 2.469 -5.657 -1.738) 6.412 11.771 ( 2.874 6.814 -18.404) 19.834 11.982 ( 5.189 -4.556 -14.602) 16.152 12.540 ( -0.031 13.903 13.174) 19.153 13.132 ( 2.006 -14.150 3.951) 14.827 13.503 ( 8.013 -2.291 -10.809) 13.649 13.917 ( -0.690 -2.211 7.202) 7.565 14.218 ( -3.074 1.451 -19.399) 19.694 14.422 ( -5.276 0.424 -10.143) 11.441 16.468 ( -0.432 2.710 12.690) 12.983 16.551 ( 1.221 -0.101 14.480) 14.532 24.970 ( 0.705 0.878 4.185) 4.334 25.034 ( 0.574 -1.858 3.497) 4.001 25.363 ( 2.511 0.875 -0.322) 2.679 25.544 ( -1.560 0.844 4.003) 4.378 25.662 ( -1.620 -2.146 2.613) 3.749 25.916 ( -10.544 -3.281 10.422) 15.184 27.683 ( 3.376 2.174 -6.502) 7.642 27.804 ( -1.397 -0.618 -2.792) 3.183======================= Grid point 319 (124/171) =======================q-point: ( 0.60 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 2.671 1.303 15.535) 15.817 1.106 ( -2.585 0.074 6.634) 7.120 1.479 ( 0.165 0.940 -9.182) 9.232 1.552 ( -5.441 -1.169 -7.053) 8.985 1.595 ( 3.218 -0.089 -3.661) 4.875 1.749 ( 3.356 -0.203 0.163) 3.366 1.833 ( -1.199 2.265 1.041) 2.766 2.131 ( -2.512 -0.119 4.926) 5.531 2.234 ( -1.691 0.706 10.177) 10.341 2.456 ( 0.653 -0.948 -0.783) 1.392 3.083 ( -17.976 1.416 25.937) 31.589 3.137 ( -14.449 -0.310 20.814) 25.340 4.012 ( -2.196 0.294 -4.642) 5.144 4.229 ( 3.755 -1.276 -6.626) 7.722 4.497 ( 12.552 2.147 -17.296) 21.479 4.906 ( -1.316 0.647 -5.498) 5.690 4.971 ( 0.370 -1.655 -1.147) 2.047 5.260 ( -1.347 -0.573 0.166) 1.473 5.723 ( 0.113 5.183 10.827) 12.004 5.841 ( 0.614 -6.889 12.312) 14.122 8.110 ( 3.939 2.220 -5.698) 7.274 8.491 ( -1.895 -1.056 4.180) 4.710 9.646 ( 10.303 2.707 -12.568) 16.475 10.066 ( 4.235 -2.028 -1.930) 5.076 11.639 ( 2.805 4.975 -14.021) 15.139 11.741 ( 3.745 -4.478 -11.304) 12.722 12.750 ( 0.101 9.328 7.428) 11.925 13.052 ( 0.924 -4.962 4.668) 6.875 13.247 ( 8.059 -5.805 -8.083) 12.805 13.930 ( 2.061 -0.123 0.160) 2.071 14.179 ( -7.853 -0.107 -9.666) 12.454 14.437 ( -6.880 0.473 -9.266) 11.551 16.552 ( 3.522 1.058 8.465) 9.229 16.667 ( 0.519 0.288 12.524) 12.538 25.008 ( 0.207 0.215 5.023) 5.032 25.056 ( 0.302 -0.699 5.377) 5.430 25.303 ( 3.832 0.113 -2.242) 4.441 25.606 ( 2.010 0.850 8.527) 8.802 25.684 ( -4.214 -1.326 -2.836) 5.250 26.193 ( -13.871 -1.756 12.400) 18.688 27.581 ( 4.369 2.106 -7.552) 8.975 27.785 ( -1.237 -1.110 -4.046) 4.375======================= Grid point 320 (125/171) =======================q-point: (-0.30 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( 3.582 0.000 19.387) 19.715 1.196 ( -2.674 0.000 2.875) 3.927 1.378 ( 1.322 -0.000 -10.563) 10.646 1.477 ( 3.337 -0.000 -5.619) 6.535 1.597 ( -6.425 -0.000 -7.920) 10.199 1.688 ( 4.502 -0.000 0.593) 4.541 1.857 ( -0.007 0.000 0.441) 0.441 2.192 ( -1.615 0.000 1.680) 2.330 2.355 ( -0.708 0.000 12.199) 12.220 2.415 ( 1.441 -0.000 -3.867) 4.127 3.500 ( -9.240 0.000 16.311) 18.746 3.534 ( -12.875 0.000 18.393) 22.452 4.008 ( 11.148 -0.000 -13.595) 17.581 4.022 ( -3.083 -0.000 -2.435) 3.928 4.149 ( 10.532 -0.000 -18.608) 21.382 4.919 ( -3.909 -0.000 -1.802) 4.304 4.954 ( 1.669 0.000 2.264) 2.813 5.320 ( -4.379 0.000 2.687) 5.137 5.818 ( 2.835 0.000 9.114) 9.544 5.966 ( -5.267 0.000 11.850) 12.968 7.998 ( 3.314 -0.000 -7.703) 8.385 8.560 ( -2.370 0.000 3.975) 4.628 9.377 ( 10.365 -0.000 -11.105) 15.191 9.969 ( 4.854 -0.000 -0.524) 4.883 11.504 ( 3.056 -0.000 -9.688) 10.159 11.639 ( 0.123 -0.000 -1.830) 1.835 12.779 ( 1.961 -0.000 -7.917) 8.156 13.019 ( 6.265 -0.000 -0.875) 6.326 13.155 ( -1.836 0.000 12.417) 12.552 13.887 ( -0.219 -0.000 -5.059) 5.064 14.246 ( -5.662 -0.000 -0.986) 5.747 14.470 ( -7.231 -0.000 -9.172) 11.680 16.539 ( 4.990 0.000 3.075) 5.861 16.741 ( 1.835 0.000 7.805) 8.018 25.061 ( -1.103 0.000 5.256) 5.370 25.095 ( 0.612 0.000 5.346) 5.381 25.219 ( 3.302 -0.000 -3.934) 5.136 25.641 ( 4.996 0.000 10.626) 11.741 25.718 ( -6.405 -0.000 -6.896) 9.412 26.512 ( -14.001 0.000 11.957) 18.412 27.449 ( 5.854 -0.000 -7.012) 9.134 27.760 ( -1.781 -0.000 -5.006) 5.313======================= Grid point 327 (126/171) =======================q-point: ( 0.40 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.779 ( -0.000 8.785 9.562) 12.985 0.860 ( -0.000 8.687 17.378) 19.429 1.459 ( -0.000 6.728 9.230) 11.422 1.573 ( 0.000 -1.179 20.493) 20.526 1.728 ( 0.000 -1.489 -2.100) 2.574 1.764 ( 0.000 -3.020 -2.900) 4.186 1.784 ( 0.000 5.315 22.652) 23.267 1.867 ( 0.000 2.396 15.305) 15.491 1.969 ( 0.000 -2.212 11.048) 11.267 2.111 ( 0.000 1.494 5.395) 5.598 2.521 ( -0.000 -0.105 -1.734) 1.738 2.661 ( 0.000 -4.092 4.946) 6.420 3.905 ( -0.000 1.176 0.915) 1.490 4.454 ( 0.000 -10.295 -3.312) 10.814 4.674 ( -0.000 5.269 2.657) 5.901 4.880 ( -0.000 -0.620 -13.217) 13.232 4.911 ( -0.000 9.923 -2.330) 10.192 5.498 ( 0.000 -5.274 -10.369) 11.633 5.625 ( -0.000 1.048 -2.774) 2.966 6.172 ( 0.000 -8.918 4.544) 10.009 8.030 ( -0.000 10.556 3.839) 11.232 8.512 ( 0.000 -2.201 -1.108) 2.464 9.700 ( -0.000 9.171 0.375) 9.179 10.316 ( 0.000 -5.478 -4.669) 7.198 11.640 ( -0.000 10.416 -22.041) 24.378 12.138 ( -0.000 -3.831 -17.241) 17.661 12.329 ( -0.000 9.258 16.479) 18.902 13.454 ( 0.000 -13.624 -2.003) 13.770 13.729 ( 0.000 -1.545 0.031) 1.546 13.864 ( 0.000 -4.967 -1.876) 5.309 14.191 ( -0.000 2.698 -15.219) 15.456 14.290 ( -0.000 -0.467 -20.831) 20.836 16.380 ( 0.000 4.165 18.982) 19.434 16.625 ( 0.000 -0.022 14.127) 14.127 24.968 ( 0.000 0.546 3.893) 3.931 25.087 ( 0.000 -1.906 2.657) 3.270 25.407 ( 0.000 2.059 6.448) 6.769 25.482 ( 0.000 -0.597 4.280) 4.321 25.598 ( 0.000 -2.293 13.745) 13.935 25.903 ( 0.000 -5.728 4.152) 7.075 27.723 ( -0.000 1.470 -5.975) 6.153 27.750 ( -0.000 0.551 -4.158) 4.194======================= Grid point 328 (127/171) =======================q-point: ( 0.50 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.944 ( -0.712 7.091 9.762) 12.086 1.068 ( 0.667 6.749 14.237) 15.770 1.499 ( 3.713 -0.961 2.258) 4.450 1.665 ( 3.040 -3.474 7.561) 8.859 1.673 ( 2.101 0.507 -0.454) 2.209 1.739 ( -0.674 0.379 3.670) 3.751 1.902 ( 7.892 0.697 10.869) 13.450 2.085 ( -3.475 2.547 15.271) 15.867 2.130 ( 0.622 -0.018 9.541) 9.561 2.414 ( -18.473 3.414 33.414) 38.333 2.520 ( -0.342 -0.871 -1.172) 1.500 2.768 ( -8.277 -1.710 15.461) 17.621 3.944 ( -1.251 2.061 0.113) 2.414 4.336 ( 0.001 -7.631 -2.065) 7.906 4.711 ( 4.233 1.444 -11.814) 12.632 4.774 ( -2.212 6.117 -2.394) 6.931 4.955 ( -1.623 2.781 -9.612) 10.137 5.312 ( 1.699 -4.730 -13.140) 14.068 5.654 ( 0.030 4.558 3.728) 5.888 6.116 ( 4.025 -9.220 10.378) 14.454 8.132 ( 2.685 8.269 2.673) 9.095 8.485 ( -0.911 -2.616 -0.911) 2.916 9.761 ( 2.882 8.016 -3.015) 9.036 10.206 ( 0.869 -5.004 -6.793) 8.482 11.530 ( 0.004 9.001 -22.312) 24.059 11.911 ( 1.128 -4.644 -21.532) 22.056 12.555 ( 0.521 10.656 14.157) 17.727 13.282 ( 3.499 -9.921 -4.817) 11.570 13.597 ( 6.487 -5.933 -4.340) 9.804 13.900 ( -10.435 -3.887 -5.046) 12.225 14.019 ( 4.442 1.278 -13.632) 14.394 14.207 ( -6.915 0.360 -13.658) 15.312 16.589 ( 1.154 4.042 19.082) 19.539 16.736 ( 3.327 0.722 16.338) 16.688 25.014 ( 0.081 0.616 5.413) 5.448 25.092 ( 0.712 -1.608 3.918) 4.295 25.428 ( 4.610 0.328 5.190) 6.949 25.547 ( -0.211 2.528 6.446) 6.927 25.732 ( -3.606 -4.797 10.215) 11.847 25.919 ( -4.557 -5.126 8.595) 10.996 27.648 ( 2.621 1.844 -7.950) 8.572 27.733 ( -2.617 -0.236 -6.318) 6.843======================= Grid point 329 (128/171) =======================q-point: ( 0.60 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -1.035 4.622 7.210) 8.626 1.221 ( 1.360 1.318 13.685) 13.815 1.441 ( 3.858 2.509 0.336) 4.614 1.597 ( 3.314 -2.351 -1.916) 4.492 1.649 ( 3.013 -3.209 6.232) 7.630 1.812 ( -0.755 1.120 4.161) 4.375 1.874 ( 9.346 1.533 11.208) 14.674 2.147 ( 0.550 -0.553 3.310) 3.401 2.290 ( -2.068 2.796 13.172) 13.623 2.485 ( 1.948 -1.505 -0.238) 2.473 3.040 ( -17.892 2.213 32.125) 36.838 3.120 ( -12.714 0.311 23.701) 26.898 3.964 ( -0.389 0.723 -0.869) 1.196 4.256 ( 3.048 -2.886 -4.018) 5.810 4.491 ( 9.047 1.915 -17.972) 20.212 4.792 ( -1.775 0.994 -10.499) 10.695 4.914 ( -4.009 -0.177 -6.459) 7.604 5.189 ( -3.380 -1.893 -9.602) 10.354 5.777 ( 0.249 6.795 11.793) 13.612 6.077 ( 3.939 -8.462 13.783) 16.646 8.129 ( 5.669 3.686 -1.359) 6.897 8.490 ( -2.362 -1.122 0.649) 2.694 9.669 ( 9.412 4.714 -9.270) 14.026 10.095 ( 1.411 -2.259 -6.300) 6.840 11.435 ( -2.108 6.957 -19.095) 20.432 11.673 ( -0.692 -4.932 -19.109) 19.747 12.743 ( 1.094 8.694 8.758) 12.389 13.106 ( 4.727 -1.416 -6.273) 7.981 13.411 ( 4.292 -10.972 0.442) 11.790 13.838 ( -2.107 1.486 -18.554) 18.732 14.035 ( -7.644 -3.264 3.612) 9.063 14.217 ( -7.871 0.276 -11.527) 13.961 16.716 ( 5.978 2.840 13.762) 15.270 16.828 ( 3.797 0.856 15.229) 15.718 25.065 ( 0.565 0.099 6.114) 6.141 25.112 ( 0.303 -0.608 4.889) 4.936 25.379 ( 6.223 -0.022 2.280) 6.628 25.602 ( 1.308 2.102 2.621) 3.606 25.790 ( 1.071 -3.361 11.553) 12.080 26.118 ( -12.487 -3.873 11.549) 17.444 27.549 ( 3.358 2.639 -8.290) 9.326 27.706 ( -3.120 -1.500 -8.259) 8.955======================= Grid point 330 (129/171) =======================q-point: ( 0.70 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( -1.374 2.146 4.729) 5.372 1.256 ( 0.466 -1.926 0.271) 2.000 1.443 ( 3.490 2.333 -0.921) 4.298 1.532 ( 5.691 0.649 12.197) 13.475 1.636 ( 4.203 -2.704 9.902) 11.092 1.810 ( 8.643 -0.577 9.382) 12.770 1.867 ( 2.025 1.522 3.646) 4.440 2.166 ( -1.798 -0.021 -0.667) 1.918 2.407 ( 1.863 1.440 -0.899) 2.521 2.475 ( 0.719 -0.498 13.420) 13.449 3.511 ( -9.918 1.113 20.728) 23.006 3.518 ( -10.545 0.506 20.667) 23.207 3.975 ( -0.708 0.987 0.253) 1.241 4.066 ( 8.630 -1.731 -11.162) 14.215 4.162 ( 12.375 -0.226 -18.305) 22.096 4.769 ( -7.699 -1.004 -9.921) 12.598 4.931 ( -3.399 0.471 -3.705) 5.050 5.198 ( -7.612 -0.096 -7.188) 10.470 5.942 ( 2.037 5.554 13.108) 14.381 6.086 ( 1.848 -5.558 13.821) 15.010 8.021 ( 6.363 0.269 -4.458) 7.774 8.541 ( -3.163 0.192 1.588) 3.544 9.445 ( 10.713 1.752 -9.065) 14.143 10.012 ( 2.083 -0.247 -2.925) 3.599 11.369 ( -3.552 2.359 -16.590) 17.130 11.551 ( -5.268 -1.854 -10.564) 11.950 12.756 ( 4.426 0.211 -6.414) 7.796 13.062 ( 4.451 9.111 3.020) 10.580 13.298 ( -0.198 -11.361 6.933) 13.311 13.755 ( -3.708 1.184 -13.282) 13.841 14.157 ( -7.550 -1.855 2.109) 8.055 14.246 ( -8.491 0.226 -11.332) 14.162 16.709 ( 9.439 1.081 8.572) 12.796 16.885 ( 5.191 0.526 11.364) 12.505 25.108 ( 0.450 -0.155 5.785) 5.805 25.150 ( 0.484 0.066 4.828) 4.853 25.280 ( 7.180 -0.014 -0.440) 7.193 25.611 ( -1.193 0.483 -2.203) 2.551 25.849 ( 5.022 -0.810 15.633) 16.440 26.399 ( -14.251 -1.999 10.529) 17.831 27.451 ( 4.102 3.136 -6.965) 8.670 27.657 ( -3.665 -2.372 -10.301) 11.188======================= Grid point 331 (130/171) =======================q-point: (-0.20 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( 4.402 -0.000 -2.689) 5.158 1.217 ( 0.358 -0.000 -5.361) 5.373 1.394 ( -1.342 -0.000 -0.821) 1.573 1.615 ( 7.883 0.000 24.581) 25.814 1.646 ( 4.724 0.000 11.250) 12.201 1.746 ( 10.327 0.000 11.306) 15.312 1.873 ( 1.050 0.000 1.232) 1.619 2.187 ( -2.285 -0.000 -1.789) 2.901 2.330 ( 3.692 -0.000 -5.829) 6.900 2.584 ( 1.803 0.000 12.674) 12.802 3.664 ( 3.189 0.000 1.175) 3.399 3.685 ( 9.361 -0.000 -6.994) 11.685 3.802 ( 5.848 -0.000 -16.074) 17.105 3.942 ( -2.548 0.000 8.245) 8.629 4.065 ( -4.016 0.000 8.058) 9.003 4.808 ( -8.937 -0.000 -10.290) 13.629 4.966 ( -3.071 -0.000 -0.475) 3.108 5.276 ( -10.524 -0.000 -7.266) 12.789 5.984 ( 8.261 0.000 8.245) 11.671 6.163 ( -0.358 0.000 9.336) 9.343 7.893 ( 4.479 -0.000 -3.871) 5.920 8.610 ( -3.057 0.000 2.018) 3.664 9.271 ( 5.834 -0.000 -0.464) 5.853 9.996 ( -0.018 0.000 4.166) 4.166 11.320 ( -5.679 -0.000 -11.560) 12.880 11.584 ( -7.710 -0.000 -4.940) 9.157 12.578 ( 7.627 -0.000 -10.151) 12.697 13.088 ( 1.924 0.000 4.378) 4.782 13.354 ( -2.848 0.000 9.843) 10.247 13.731 ( -5.068 -0.000 -9.514) 10.780 14.266 ( -5.617 0.000 1.221) 5.748 14.279 ( -8.463 -0.000 -11.381) 14.183 16.608 ( 11.160 0.000 4.320) 11.967 16.873 ( 7.040 0.000 6.682) 9.706 25.131 ( 3.611 -0.000 0.223) 3.618 25.173 ( 1.297 0.000 3.152) 3.409 25.184 ( 2.106 0.000 2.142) 3.004 25.616 ( -3.197 -0.000 -4.813) 5.778 25.880 ( 8.987 0.000 16.383) 18.686 26.697 ( -14.128 0.000 8.875) 16.684 27.345 ( 5.575 -0.000 -4.597) 7.226 27.609 ( -5.107 -0.000 -11.909) 12.958======================= Grid point 338 (131/171) =======================q-point: ( 0.50 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( -0.000 7.149 9.431) 11.834 1.091 ( -0.000 11.624 10.648) 15.764 1.589 ( 0.000 -3.235 2.156) 3.888 1.684 ( 0.000 -3.249 -4.744) 5.750 1.690 ( 0.000 -2.349 1.718) 2.910 1.870 ( 0.000 -1.128 9.813) 9.878 2.082 ( 0.000 2.939 9.406) 9.855 2.202 ( 0.000 1.467 21.177) 21.228 2.295 ( 0.000 -0.361 12.079) 12.085 2.438 ( 0.000 -0.118 21.006) 21.007 2.578 ( 0.000 5.106 25.226) 25.738 2.874 ( 0.000 -1.258 21.946) 21.982 3.933 ( 0.000 0.747 2.209) 2.332 4.389 ( 0.000 -8.159 -3.587) 8.913 4.588 ( -0.000 5.963 -18.422) 19.363 4.682 ( -0.000 5.502 -2.795) 6.171 4.811 ( -0.000 2.910 -10.091) 10.502 5.215 ( -0.000 -3.905 -19.730) 20.113 5.643 ( -0.000 5.958 7.021) 9.209 6.330 ( 0.000 -8.976 11.662) 14.717 8.115 ( -0.000 7.929 5.177) 9.469 8.480 ( 0.000 -2.017 -2.616) 3.304 9.695 ( -0.000 7.912 -1.397) 8.034 10.163 ( -0.000 -2.912 -12.824) 13.151 11.241 ( -0.000 8.840 -22.620) 24.286 11.742 ( -0.000 -3.898 -26.240) 26.528 12.600 ( -0.000 7.854 14.402) 16.405 13.326 ( 0.000 -6.882 -12.365) 14.151 13.626 ( -0.000 -3.949 -13.148) 13.728 13.778 ( 0.000 -5.179 -7.222) 8.887 14.028 ( 0.000 -2.299 -1.864) 2.959 14.032 ( 0.000 -2.017 -4.698) 5.113 16.736 ( 0.000 4.140 19.207) 19.648 16.871 ( -0.000 4.593 12.517) 13.333 25.059 ( 0.000 0.266 6.152) 6.158 25.151 ( 0.000 -1.466 4.404) 4.641 25.556 ( 0.000 2.623 10.281) 10.610 25.586 ( 0.000 -0.034 7.222) 7.222 25.857 ( 0.000 -8.846 13.426) 16.078 26.008 ( 0.000 -5.938 7.497) 9.563 27.576 ( -0.000 1.953 -10.283) 10.467 27.645 ( -0.000 -0.690 -7.521) 7.552======================= Grid point 339 (132/171) =======================q-point: ( 0.60 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 0.151 6.181 7.432) 9.667 1.291 ( -1.252 7.002 10.507) 12.688 1.507 ( 4.571 -1.055 -1.059) 4.809 1.611 ( 0.847 -2.371 -4.594) 5.239 1.731 ( -2.718 -2.879 4.691) 6.138 1.892 ( 2.332 -2.013 5.964) 6.712 2.122 ( 6.044 2.638 8.110) 10.453 2.284 ( 7.219 -2.615 10.420) 12.943 2.389 ( 3.240 4.116 19.310) 20.008 2.544 ( 1.305 -0.227 7.993) 8.102 3.078 ( -12.965 3.284 37.744) 40.043 3.177 ( -7.888 0.916 28.395) 29.485 3.963 ( 0.407 1.271 1.942) 2.357 4.298 ( 0.893 -5.106 -2.239) 5.647 4.424 ( 5.833 2.973 -18.155) 19.299 4.673 ( 1.835 3.776 -11.775) 12.501 4.751 ( -6.017 -0.109 -11.390) 12.882 5.033 ( -3.807 -2.909 -17.434) 18.080 5.815 ( -0.546 8.064 13.919) 16.096 6.329 ( 2.692 -8.828 12.371) 15.434 8.175 ( 4.462 4.622 1.717) 6.649 8.454 ( -2.365 -1.467 -2.664) 3.852 9.681 ( 7.037 6.030 -6.069) 11.078 10.033 ( -1.156 -1.288 -11.974) 12.099 11.143 ( -2.960 7.539 -21.045) 22.549 11.487 ( -2.438 -3.994 -25.410) 25.837 12.780 ( 1.339 7.058 11.502) 13.561 13.130 ( 4.651 -2.519 -9.492) 10.866 13.489 ( -1.565 -4.952 -10.748) 11.937 13.672 ( -0.734 -4.149 -8.196) 9.216 14.012 ( -3.956 -4.258 2.594) 6.365 14.036 ( -4.816 -1.681 -5.565) 7.549 16.894 ( 4.374 3.866 14.370) 15.510 16.991 ( 2.679 2.945 12.087) 12.726 25.120 ( -0.219 0.295 6.218) 6.229 25.171 ( 1.029 -0.881 4.691) 4.883 25.542 ( 8.725 -0.329 7.293) 11.376 25.681 ( 3.822 2.412 7.794) 9.009 25.913 ( -3.056 -5.945 10.590) 12.523 26.095 ( -8.522 -5.714 10.252) 14.504 27.485 ( 1.959 2.568 -10.357) 10.849 27.589 ( -2.862 -1.321 -9.442) 9.955======================= Grid point 340 (133/171) =======================q-point: ( 0.70 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( 0.161 3.850 4.305) 5.778 1.322 ( 3.772 -2.908 1.326) 4.944 1.483 ( 4.262 0.724 -1.464) 4.564 1.600 ( -2.947 3.196 6.012) 7.419 1.785 ( -0.104 -1.293 7.083) 7.201 1.889 ( 1.486 -1.662 4.357) 4.894 2.123 ( 3.653 2.529 4.374) 6.235 2.241 ( 9.750 -2.549 15.566) 18.543 2.450 ( 6.729 2.133 5.884) 9.190 2.640 ( 2.819 1.308 19.313) 19.562 3.546 ( -8.407 1.864 23.805) 25.314 3.570 ( -7.722 1.823 25.009) 26.238 3.975 ( 1.328 1.431 0.308) 1.976 4.103 ( 9.480 -1.286 -14.519) 17.387 4.218 ( 7.614 -2.312 -7.812) 11.151 4.566 ( -5.135 -0.976 -14.080) 15.019 4.780 ( -7.656 1.072 -8.705) 11.643 4.983 ( -8.153 -0.317 -13.533) 15.803 6.021 ( 0.652 7.492 14.972) 16.755 6.310 ( 3.695 -7.190 11.511) 14.066 8.096 ( 7.182 0.286 -2.707) 7.681 8.485 ( -4.121 0.308 -1.018) 4.256 9.511 ( 10.179 3.192 -7.586) 13.090 9.974 ( -1.719 0.824 -6.372) 6.651 11.093 ( -6.103 3.847 -19.872) 21.141 11.335 ( -7.733 -2.030 -18.387) 20.050 12.811 ( 6.199 -0.567 -0.341) 6.234 13.063 ( 2.426 7.464 2.820) 8.339 13.397 ( -2.629 -6.918 -4.198) 8.509 13.595 ( -2.453 -2.243 -7.588) 8.284 14.043 ( -5.778 -0.936 -7.213) 9.289 14.089 ( -7.074 -3.987 1.830) 8.324 16.920 ( 8.964 2.493 9.029) 12.965 17.057 ( 4.774 1.699 10.385) 11.555 25.171 ( 0.554 -0.425 5.536) 5.579 25.194 ( 0.797 0.631 4.130) 4.253 25.435 ( 10.777 -0.246 3.695) 11.395 25.643 ( 5.351 -0.371 1.944) 5.705 26.043 ( -0.866 -1.067 16.438) 16.495 26.305 ( -12.508 -4.239 9.488) 16.262 27.388 ( 2.348 4.188 -10.668) 11.698 27.533 ( -3.582 -3.356 -10.002) 11.142======================= Grid point 341 (134/171) =======================q-point: (-0.20 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.200 ( 1.671 -0.126 -2.150) 2.726 1.271 ( 4.461 -0.623 0.806) 4.576 1.400 ( 1.967 -0.222 0.215) 1.991 1.724 ( -1.350 0.857 6.250) 6.451 1.846 ( 2.884 1.664 11.294) 11.774 1.891 ( 1.287 -1.022 3.537) 3.900 2.135 ( -0.175 1.419 0.182) 1.441 2.213 ( 11.558 -1.720 19.839) 23.025 2.379 ( 9.428 0.715 4.582) 10.507 2.752 ( 5.112 1.092 15.206) 16.079 3.723 ( 6.684 1.510 -7.196) 9.937 3.761 ( 5.716 -1.449 -0.893) 5.964 3.809 ( 4.093 -0.385 0.435) 4.134 3.994 ( 3.557 1.053 3.141) 4.861 4.100 ( -3.070 -1.537 10.497) 11.044 4.560 ( -9.229 -0.866 -13.214) 16.141 4.854 ( -8.025 0.953 -4.489) 9.244 5.012 ( -10.646 0.449 -13.415) 17.132 6.160 ( 5.393 4.915 10.889) 13.108 6.280 ( 3.831 -4.085 7.439) 9.312 7.953 ( 6.063 -1.090 -3.069) 6.882 8.560 ( -4.706 0.584 0.922) 4.831 9.356 ( 6.456 1.378 -0.824) 6.652 9.994 ( -3.120 0.929 1.092) 3.433 11.055 ( -9.581 0.244 -18.336) 20.690 11.356 ( -11.517 0.269 -11.245) 16.099 12.661 ( 9.172 -1.058 -2.495) 9.564 13.121 ( 2.442 5.064 1.900) 5.935 13.394 ( -4.715 -4.677 3.549) 7.530 13.575 ( -4.274 -0.235 -6.468) 7.756 14.067 ( -6.841 -0.311 -8.250) 10.722 14.182 ( -6.990 -2.229 0.540) 7.356 16.836 ( 11.867 0.860 5.653) 13.173 17.051 ( 7.478 0.731 7.151) 10.372 25.197 ( 1.319 -0.230 4.030) 4.246 25.217 ( 1.530 0.751 2.697) 3.190 25.285 ( 9.892 0.071 0.849) 9.929 25.581 ( 2.044 -0.807 -1.247) 2.527 26.167 ( 5.966 0.300 19.703) 20.589 26.557 ( -13.978 -2.123 7.402) 15.959 27.317 ( 1.233 7.400 -10.414) 12.835 27.453 ( -3.440 -6.798 -10.238) 12.762======================= Grid point 342 (135/171) =======================q-point: (-0.10 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 9.192 -0.000 -4.114) 10.071 1.154 ( 1.536 -0.000 -1.958) 2.488 1.436 ( -2.272 0.000 3.573) 4.234 1.775 ( 1.215 0.000 5.427) 5.561 1.886 ( 0.642 0.000 0.554) 0.848 1.905 ( 6.395 0.000 14.455) 15.807 2.154 ( -1.031 -0.000 -0.251) 1.062 2.178 ( 7.347 0.000 3.179) 8.005 2.280 ( 15.090 0.000 19.402) 24.579 2.742 ( 7.526 0.000 3.065) 8.126 3.503 ( 6.077 -0.000 -8.856) 10.741 3.577 ( 14.487 -0.000 -9.058) 17.085 3.595 ( 11.030 -0.000 -6.277) 12.691 4.125 ( -3.640 0.000 8.548) 9.290 4.257 ( -3.211 0.000 11.448) 11.890 4.595 ( -11.199 -0.000 -12.056) 16.455 4.950 ( -6.265 -0.000 -1.042) 6.351 5.096 ( -14.639 -0.000 -11.566) 18.657 6.084 ( 13.639 0.000 3.110) 13.989 6.278 ( 1.606 0.000 3.759) 4.087 7.863 ( 3.149 -0.000 0.077) 3.150 8.639 ( -3.261 0.000 1.322) 3.519 9.338 ( 0.150 0.000 6.291) 6.293 10.104 ( -5.363 0.000 6.783) 8.646 11.101 ( -13.988 -0.000 -11.936) 18.388 11.471 ( -13.255 -0.000 -6.871) 14.930 12.473 ( 11.872 -0.000 -2.031) 12.044 13.131 ( -0.582 0.000 0.491) 0.761 13.493 ( -4.431 0.000 5.619) 7.156 13.601 ( -5.400 -0.000 -4.840) 7.252 14.104 ( -7.183 -0.000 -7.566) 10.432 14.271 ( -5.798 0.000 -0.376) 5.810 16.676 ( 14.054 0.000 2.995) 14.369 16.965 ( 10.106 0.000 3.637) 10.741 25.108 ( 8.549 -0.000 -1.304) 8.648 25.208 ( 2.326 0.000 1.051) 2.552 25.247 ( -0.028 0.000 3.138) 3.138 25.548 ( -0.724 -0.000 -2.800) 2.892 26.191 ( 12.405 0.000 17.215) 21.219 26.823 ( -14.081 0.000 5.418) 15.088 27.287 ( 5.146 -0.000 -2.091) 5.554 27.359 ( -8.363 -0.000 -15.173) 17.325======================= Grid point 343 (136/171) =======================q-point: ( 0.00 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 10.366 -0.000 0.000) 10.366 1.138 ( 1.631 -0.000 0.000) 1.631 1.474 ( -2.060 0.000 -0.000) 2.060 1.843 ( 1.020 -0.000 0.000) 1.020 1.885 ( -1.118 0.000 -0.000) 1.118 2.017 ( -0.424 0.000 -0.000) 0.424 2.123 ( 9.148 -0.000 0.000) 9.148 2.208 ( 5.184 -0.000 0.000) 5.184 2.569 ( 12.654 -0.000 0.000) 12.654 2.723 ( 12.149 -0.000 0.000) 12.149 3.437 ( 1.362 -0.000 0.000) 1.362 3.455 ( 21.435 -0.000 0.000) 21.435 3.547 ( 13.790 -0.000 0.000) 13.790 4.206 ( -0.947 0.000 -0.000) 0.947 4.383 ( -0.999 0.000 -0.000) 0.999 4.467 ( -13.402 0.000 -0.000) 13.402 4.942 ( -8.025 0.000 -0.000) 8.025 4.961 ( -17.217 0.000 -0.000) 17.217 6.108 ( 15.983 -0.000 0.000) 15.983 6.308 ( 1.778 -0.000 0.000) 1.778 7.869 ( 2.245 -0.000 0.000) 2.245 8.652 ( -3.123 0.000 -0.000) 3.123 9.411 ( -2.177 0.000 -0.000) 2.177 10.176 ( -7.585 0.000 -0.000) 7.585 10.978 ( -17.458 0.000 -0.000) 17.458 11.398 ( -15.374 0.000 -0.000) 15.374 12.465 ( 13.507 -0.000 0.000) 13.507 13.128 ( -1.689 0.000 -0.000) 1.689 13.541 ( -6.797 0.000 -0.000) 6.797 13.562 ( -3.380 0.000 -0.000) 3.380 14.035 ( -6.179 0.000 -0.000) 6.179 14.266 ( -5.681 0.000 -0.000) 5.681 16.704 ( 14.739 -0.000 0.000) 14.739 16.998 ( 11.105 -0.000 0.000) 11.105 25.096 ( 9.634 -0.000 0.000) 9.634 25.216 ( 2.835 -0.000 0.000) 2.835 25.276 ( -0.150 0.000 -0.000) 0.150 25.522 ( 0.295 -0.000 0.000) 0.295 26.378 ( 15.169 -0.000 0.000) 15.169 26.883 ( -13.433 0.000 -0.000) 13.433 27.180 ( -11.779 0.000 -0.000) 11.779 27.269 ( 4.956 -0.000 0.000) 4.956======================= Grid point 349 (137/171) =======================q-point: ( 0.60 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( -0.000 6.232 8.185) 10.287 1.276 ( -0.000 10.848 10.461) 15.070 1.539 ( -0.000 -3.041 -4.649) 5.555 1.604 ( 0.000 -2.679 -3.979) 4.797 1.784 ( -0.000 -4.449 5.677) 7.212 1.951 ( 0.000 -0.868 1.055) 1.366 2.155 ( 0.000 3.929 0.381) 3.947 2.407 ( 0.000 -2.433 1.628) 2.927 2.645 ( -0.000 1.573 27.369) 27.414 2.674 ( -0.000 2.355 17.041) 17.203 3.284 ( 0.000 3.389 39.900) 40.043 3.369 ( 0.000 1.395 29.161) 29.195 3.978 ( 0.000 0.755 2.404) 2.520 4.274 ( 0.000 7.673 -15.753) 17.522 4.338 ( 0.000 -6.640 -2.367) 7.049 4.526 ( 0.000 3.509 -15.500) 15.892 4.616 ( 0.000 -0.557 -8.698) 8.716 4.845 ( 0.000 -2.518 -21.688) 21.833 5.875 ( 0.000 7.552 17.688) 19.233 6.526 ( 0.000 -7.753 9.218) 12.045 8.192 ( -0.000 4.173 3.078) 5.185 8.416 ( 0.000 -2.272 -4.691) 5.213 9.643 ( -0.000 6.291 -4.255) 7.595 9.890 ( 0.000 0.543 -16.574) 16.583 10.867 ( 0.000 7.042 -18.881) 20.151 11.259 ( 0.000 -2.685 -27.195) 27.327 12.844 ( 0.000 5.671 13.373) 14.526 13.108 ( 0.000 -2.580 -9.828) 10.161 13.380 ( -0.000 -2.300 -12.308) 12.521 13.650 ( -0.000 -2.579 -7.518) 7.948 14.034 ( 0.000 -6.156 2.173) 6.528 14.044 ( -0.000 -6.955 2.141) 7.277 17.017 ( -0.000 3.755 12.150) 12.717 17.052 ( -0.000 6.163 7.988) 10.089 25.170 ( 0.000 0.017 6.042) 6.042 25.230 ( -0.000 -1.003 4.217) 4.334 25.724 ( -0.000 0.604 8.042) 8.065 25.755 ( 0.000 3.097 11.618) 12.023 26.041 ( -0.000 -10.201 7.582) 12.710 26.155 ( 0.000 -6.819 8.599) 10.975 27.379 ( -0.000 2.788 -11.292) 11.631 27.492 ( -0.000 -1.270 -9.646) 9.729======================= Grid point 350 (138/171) =======================q-point: ( 0.70 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.210 ( 1.750 4.630 5.564) 7.447 1.415 ( 2.850 -0.785 2.603) 3.939 1.520 ( -1.375 5.386 3.752) 6.707 1.538 ( -0.671 -1.207 -2.741) 3.069 1.814 ( -2.587 -3.262 3.652) 5.538 1.938 ( -0.036 -1.742 -0.185) 1.753 2.177 ( 3.168 4.246 2.385) 5.810 2.382 ( 1.378 -1.625 0.438) 2.176 2.762 ( 10.907 1.595 22.371) 24.939 2.873 ( 3.420 1.906 23.754) 24.075 3.645 ( -3.155 2.947 24.038) 24.422 3.686 ( -4.504 2.328 27.125) 27.594 3.983 ( 3.655 2.762 -3.141) 5.554 4.135 ( 5.584 -0.318 -8.720) 10.360 4.276 ( 0.014 -4.762 -1.125) 4.893 4.398 ( 1.973 2.148 -16.398) 16.655 4.560 ( -6.572 -0.844 -11.065) 12.897 4.724 ( -7.932 -0.227 -16.825) 18.602 6.102 ( 0.382 6.970 17.301) 18.656 6.510 ( 2.550 -6.508 7.105) 9.967 8.175 ( 5.645 0.145 -2.022) 5.997 8.395 ( -4.643 -0.668 -3.574) 5.898 9.561 ( 8.562 4.085 -6.657) 11.589 9.831 ( -5.272 2.418 -9.641) 11.251 10.804 ( -3.968 4.736 -16.802) 17.902 11.059 ( -6.013 -1.445 -21.572) 22.441 12.934 ( 6.285 -0.300 3.558) 7.228 13.052 ( -0.089 4.715 3.564) 5.911 13.298 ( -3.441 -1.149 -8.803) 9.521 13.562 ( -1.101 -4.081 -6.625) 7.859 13.983 ( -0.705 -4.997 -0.857) 5.119 14.057 ( -5.297 -6.132 2.087) 8.368 17.081 ( 6.022 3.548 6.979) 9.877 17.160 ( 1.331 3.461 7.062) 7.976 25.220 ( 0.099 0.178 4.814) 4.819 25.247 ( 1.303 -0.417 3.630) 3.879 25.671 ( 12.258 -0.314 6.952) 14.096 25.794 ( 9.127 0.300 4.496) 10.179 26.107 ( -8.709 -4.908 10.697) 14.641 26.264 ( -9.729 -5.121 8.997) 14.207 27.287 ( 2.611 2.699 -11.746) 12.331 27.425 ( -3.109 -1.184 -8.316) 8.957======================= Grid point 351 (139/171) =======================q-point: ( 0.80 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.223 ( 2.565 0.375 0.041) 2.592 1.362 ( 4.169 -1.344 1.783) 4.730 1.452 ( 3.649 -0.490 0.346) 3.698 1.707 ( -4.587 4.359 4.943) 8.030 1.857 ( -2.544 -1.066 1.238) 3.023 1.932 ( -2.069 -1.520 -0.577) 2.631 2.193 ( 4.587 3.921 6.678) 9.000 2.339 ( 2.799 -0.714 -0.915) 3.030 2.764 ( 14.295 0.256 21.090) 25.479 2.992 ( 7.755 1.148 17.685) 19.345 3.746 ( 9.830 1.033 -11.791) 15.386 3.881 ( 1.762 1.280 9.134) 9.390 3.902 ( 3.399 1.126 10.797) 11.376 4.083 ( 5.764 -0.696 0.635) 5.840 4.171 ( -0.253 -1.584 5.875) 6.090 4.327 ( -7.313 -1.323 -11.215) 13.454 4.632 ( -11.689 0.880 -7.519) 13.926 4.726 ( -9.029 0.945 -14.408) 17.029 6.267 ( 2.793 5.148 11.587) 12.983 6.454 ( 5.184 -3.972 4.606) 7.992 8.034 ( 6.059 -2.367 -3.695) 7.482 8.469 ( -6.525 0.601 -0.509) 6.573 9.426 ( 6.482 2.572 -2.002) 7.256 9.895 ( -6.587 2.668 -2.441) 7.514 10.756 ( -6.896 0.514 -16.439) 17.834 11.057 ( -11.904 1.018 -12.125) 17.022 12.816 ( 9.089 -1.276 1.693) 9.333 13.124 ( 2.175 4.800 1.544) 5.492 13.321 ( -6.188 0.061 -1.407) 6.346 13.506 ( -3.098 -3.586 -4.534) 6.558 13.956 ( -2.820 -3.157 -2.717) 5.030 14.114 ( -6.533 -4.709 0.860) 8.099 17.034 ( 9.415 2.027 4.028) 10.440 17.191 ( 4.771 1.966 4.856) 7.086 25.250 ( 0.714 -0.684 3.204) 3.353 25.251 ( 1.692 1.367 2.292) 3.160 25.496 ( 14.898 0.082 2.774) 15.155 25.668 ( 7.129 -2.085 0.844) 7.475 26.322 ( -7.993 -1.315 11.980) 14.461 26.474 ( -8.977 -2.273 11.962) 15.127 27.145 ( 2.109 2.848 -16.408) 16.787 27.401 ( -2.511 -2.430 -4.688) 5.847======================= Grid point 352 (140/171) =======================q-point: (-0.10 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 2.286 -0.677 -0.710) 2.487 1.252 ( 7.958 -1.493 -1.274) 8.197 1.445 ( 0.223 0.467 2.564) 2.615 1.814 ( -1.204 1.089 4.146) 4.453 1.880 ( -1.016 -0.126 -1.164) 1.550 1.973 ( -3.959 -0.158 0.068) 3.962 2.218 ( 5.166 3.409 6.049) 8.654 2.261 ( 5.132 -0.706 -0.374) 5.194 2.703 ( 14.136 -0.501 15.124) 20.708 2.931 ( 12.573 -0.570 3.470) 13.055 3.526 ( 7.308 -0.405 -4.896) 8.806 3.755 ( 13.392 0.486 -1.478) 13.482 3.771 ( 13.987 -0.952 -3.144) 14.367 4.141 ( -3.258 0.274 7.593) 8.267 4.306 ( -3.519 0.206 8.767) 9.449 4.344 ( -8.301 -0.904 -8.289) 11.766 4.764 ( -13.736 0.992 -10.547) 17.346 4.798 ( -10.278 1.039 -2.933) 10.739 6.304 ( 8.460 2.660 5.210) 10.285 6.347 ( 6.434 -1.451 0.422) 6.609 7.919 ( 3.338 -1.831 -0.818) 3.895 8.576 ( -5.724 0.587 0.663) 5.792 9.385 ( 1.694 1.191 2.317) 3.108 10.031 ( -7.969 1.696 1.958) 8.379 10.785 ( -12.690 -0.549 -9.651) 15.952 11.191 ( -14.040 0.758 -5.892) 15.245 12.661 ( 11.641 -0.631 1.117) 11.712 13.121 ( 0.778 1.265 -0.959) 1.767 13.430 ( -6.391 0.921 0.937) 6.525 13.515 ( -3.975 -1.492 -1.243) 4.424 13.969 ( -4.767 -1.357 -2.734) 5.661 14.184 ( -6.354 -2.419 -0.070) 6.799 16.903 ( 12.261 0.639 1.902) 12.424 17.135 ( 8.175 0.811 2.362) 8.548 25.243 ( 4.308 -0.622 1.141) 4.499 25.247 ( 2.609 1.344 0.838) 3.052 25.302 ( 9.025 0.521 0.769) 9.073 25.566 ( 3.818 -1.649 -0.447) 4.182 26.485 ( 3.346 0.286 12.207) 12.660 26.685 ( -8.136 -1.680 9.149) 12.358 27.047 ( -6.967 5.263 -16.989) 19.101 27.357 ( 0.434 -4.648 -1.966) 5.066======================= Grid point 360 (141/171) =======================q-point: ( 0.70 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( 0.000 4.688 7.279) 8.658 1.431 ( -0.000 7.909 2.453) 8.281 1.467 ( -0.000 -2.360 0.344) 2.385 1.552 ( 0.000 -1.221 -1.826) 2.197 1.850 ( -0.000 -3.085 1.903) 3.625 1.937 ( 0.000 -0.464 -2.223) 2.271 2.185 ( 0.000 3.956 4.345) 5.876 2.387 ( 0.000 -0.333 -3.476) 3.492 3.004 ( -0.000 3.718 18.590) 18.959 3.098 ( -0.000 0.179 21.364) 21.364 3.788 ( 0.000 1.873 16.859) 16.962 3.865 ( -0.000 2.488 22.565) 22.702 3.960 ( 0.000 5.189 -5.234) 7.370 4.050 ( 0.000 3.950 -8.067) 8.982 4.313 ( 0.000 -3.319 -5.619) 6.526 4.323 ( -0.000 -3.519 0.930) 3.640 4.464 ( 0.000 -1.785 -20.772) 20.848 4.470 ( 0.000 0.507 -7.322) 7.339 6.212 ( 0.000 4.998 19.161) 19.803 6.615 ( 0.000 -4.327 -0.126) 4.329 8.219 ( -0.000 -0.090 0.440) 0.449 8.321 ( 0.000 -3.057 -5.656) 6.430 9.564 ( -0.000 5.213 -3.930) 6.529 9.638 ( 0.000 3.338 -10.577) 11.091 10.613 ( 0.000 4.959 -8.777) 10.081 10.829 ( -0.000 -0.396 -20.173) 20.177 13.015 ( 0.000 -0.361 -0.853) 0.926 13.061 ( 0.000 4.198 9.333) 10.234 13.217 ( -0.000 -1.743 -4.744) 5.054 13.502 ( -0.000 -0.901 -9.386) 9.429 14.071 ( 0.000 -7.935 1.711) 8.117 14.078 ( -0.000 -8.290 1.380) 8.404 17.158 ( 0.000 5.398 4.127) 6.795 17.164 ( -0.000 3.566 4.802) 5.982 25.261 ( 0.000 -0.133 3.930) 3.933 25.290 ( -0.000 -0.584 2.243) 2.318 25.857 ( -0.000 1.081 6.635) 6.723 25.924 ( 0.000 3.316 5.884) 6.754 26.155 ( -0.000 -9.842 6.675) 11.892 26.280 ( -0.000 -8.206 4.345) 9.286 27.212 ( -0.000 3.447 -6.422) 7.289 27.318 ( -0.000 -0.331 -9.469) 9.474======================= Grid point 361 (142/171) =======================q-point: ( 0.80 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 4.179 1.244 1.591) 4.641 1.430 ( -0.080 -2.678 0.077) 2.680 1.513 ( 3.107 0.818 0.455) 3.245 1.594 ( -4.981 7.441 2.132) 9.205 1.856 ( -1.696 -2.988 2.047) 4.000 1.906 ( -0.826 -1.620 -2.776) 3.319 2.256 ( 1.716 4.208 5.926) 7.468 2.350 ( 1.323 1.350 -3.832) 4.273 3.095 ( 9.294 0.810 12.868) 15.894 3.226 ( 3.968 0.871 12.065) 12.730 3.804 ( 8.936 2.078 -5.103) 10.498 3.959 ( 0.210 3.814 11.611) 12.223 4.048 ( 5.163 1.778 6.846) 8.757 4.087 ( -5.923 3.911 -4.855) 8.600 4.181 ( 5.581 -2.651 -5.557) 8.310 4.272 ( -1.331 -4.059 1.081) 4.406 4.401 ( -8.738 -1.141 -4.284) 9.798 4.480 ( -7.071 0.350 -9.251) 11.649 6.376 ( 2.826 2.898 12.005) 12.669 6.555 ( 1.937 -1.746 -1.962) 3.263 8.123 ( 5.928 -3.353 -2.532) 7.266 8.346 ( -7.577 -0.607 -1.558) 7.760 9.477 ( 6.587 3.548 -2.476) 7.881 9.717 ( -8.248 4.087 -3.159) 9.732 10.582 ( -0.395 1.522 -7.153) 7.323 10.781 ( -9.702 1.842 -8.571) 13.077 12.968 ( 6.769 -0.055 2.088) 7.084 13.114 ( 0.783 3.585 -1.866) 4.117 13.255 ( -3.529 -0.453 6.305) 7.240 13.426 ( -2.646 -1.446 -8.329) 8.858 13.980 ( 0.841 -6.672 0.097) 6.726 14.083 ( -5.381 -6.952 0.777) 8.825 17.156 ( 6.083 3.149 1.970) 7.128 17.240 ( 0.841 3.303 2.157) 4.034 25.281 ( 1.038 0.455 1.879) 2.195 25.291 ( 0.905 -0.474 1.268) 1.628 25.772 ( 15.781 0.408 3.875) 16.255 25.834 ( 10.481 -1.728 0.251) 10.625 26.247 ( -11.537 -6.506 4.200) 13.895 26.408 ( -14.414 -2.032 6.061) 15.768 27.105 ( 8.065 1.352 -7.102) 10.831 27.317 ( -4.853 0.524 -3.377) 5.935======================= Grid point 362 (143/171) =======================q-point: ( 0.90 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.221 ( 3.149 -0.709 -0.000) 3.228 1.367 ( 4.883 -2.394 -0.000) 5.439 1.476 ( 3.034 1.163 -0.000) 3.250 1.754 ( -5.285 5.467 0.000) 7.604 1.864 ( -1.477 -2.472 -0.000) 2.880 1.912 ( -3.376 -1.193 0.000) 3.581 2.296 ( 3.717 2.170 -0.000) 4.304 2.303 ( 2.720 3.035 0.000) 4.075 2.980 ( 12.304 -0.909 -0.000) 12.337 3.156 ( 11.373 -0.775 -0.000) 11.399 3.647 ( 9.864 0.579 -0.000) 9.881 3.919 ( 10.800 2.551 -0.000) 11.097 3.964 ( 10.148 -1.239 -0.000) 10.224 4.154 ( -1.897 -0.848 0.000) 2.078 4.160 ( -6.456 2.061 0.000) 6.776 4.326 ( -3.876 -1.931 0.000) 4.331 4.504 ( -10.243 0.794 0.000) 10.274 4.595 ( -11.622 1.251 0.000) 11.689 6.381 ( 3.760 0.839 -0.000) 3.853 6.488 ( 6.884 0.795 -0.000) 6.930 7.995 ( 4.365 -3.499 -0.000) 5.595 8.466 ( -7.830 0.516 0.000) 7.847 9.417 ( 3.739 2.381 -0.000) 4.433 9.877 ( -9.095 3.317 0.000) 9.681 10.595 ( -6.290 -0.342 0.000) 6.300 10.943 ( -12.720 1.686 0.000) 12.831 12.843 ( 10.040 -0.467 -0.000) 10.051 13.118 ( 1.322 2.370 0.000) 2.714 13.342 ( -4.512 0.111 0.000) 4.513 13.444 ( -5.100 -0.619 0.000) 5.137 13.935 ( -1.779 -4.281 -0.000) 4.636 14.121 ( -6.199 -5.003 0.000) 7.966 17.068 ( 9.303 1.790 -0.000) 9.474 17.233 ( 4.620 2.000 -0.000) 5.034 25.272 ( 2.126 1.585 -0.000) 2.652 25.279 ( 0.790 -0.757 -0.000) 1.094 25.522 ( 16.862 0.425 -0.000) 16.868 25.675 ( 7.289 -2.821 -0.000) 7.816 26.412 ( -12.831 -3.705 0.000) 13.355 26.691 ( -14.995 2.750 0.000) 15.245 26.904 ( 11.827 -0.270 -0.000) 11.830 27.361 ( -2.466 -1.433 0.000) 2.852======================= Grid point 372 (144/171) =======================q-point: (-0.20 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.360 ( -0.000 2.040 -5.165) 5.554 1.360 ( 0.000 2.040 5.165) 5.554 1.528 ( -0.000 1.854 -1.748) 2.548 1.528 ( -0.000 1.854 1.748) 2.548 1.887 ( -0.000 -1.012 -2.846) 3.021 1.887 ( 0.000 -1.012 2.846) 3.021 2.293 ( -0.000 2.180 -6.666) 7.013 2.293 ( 0.000 2.180 6.666) 7.013 3.255 ( -0.000 1.850 -5.896) 6.179 3.255 ( 0.000 1.850 5.896) 6.179 3.884 ( -0.000 3.651 -3.640) 5.155 3.884 ( 0.000 3.651 3.640) 5.155 4.065 ( -0.000 4.517 -10.374) 11.315 4.065 ( -0.000 4.517 10.374) 11.315 4.237 ( -0.000 -4.206 -2.450) 4.868 4.237 ( 0.000 -4.206 2.450) 4.868 4.379 ( 0.000 -1.646 -4.175) 4.487 4.379 ( 0.000 -1.646 4.175) 4.487 6.502 ( -0.000 0.554 -12.318) 12.331 6.502 ( 0.000 0.554 12.318) 12.331 8.241 ( -0.000 -2.911 -2.234) 3.669 8.241 ( 0.000 -2.911 2.234) 3.669 9.535 ( -0.000 4.681 -0.721) 4.736 9.535 ( 0.000 4.681 0.721) 4.736 10.588 ( -0.000 2.398 -6.035) 6.494 10.588 ( 0.000 2.398 6.035) 6.494 13.054 ( -0.000 1.017 -4.216) 4.337 13.054 ( 0.000 1.017 4.216) 4.337 13.321 ( -0.000 0.073 -10.755) 10.755 13.321 ( 0.000 0.073 10.755) 10.755 14.089 ( 0.000 -8.464 -0.036) 8.465 14.089 ( 0.000 -8.464 0.036) 8.465 17.199 ( -0.000 4.150 -0.189) 4.154 17.199 ( 0.000 4.150 0.189) 4.154 25.303 ( -0.000 -0.295 -0.785) 0.838 25.303 ( 0.000 -0.295 0.785) 0.838 25.944 ( -0.000 1.719 -2.735) 3.231 25.944 ( -0.000 1.719 2.735) 3.231 26.274 ( 0.000 -8.693 -4.635) 9.851 26.274 ( 0.000 -8.693 4.635) 9.851 27.189 ( -0.000 2.043 -3.332) 3.908 27.189 ( 0.000 2.043 3.332) 3.908======================= Grid point 390 (145/171) =======================q-point: ( 0.40 -0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( -5.913 -0.000 -0.461) 5.931 1.126 ( -5.973 -0.000 -4.875) 7.709 1.568 ( 4.197 -0.000 4.929) 6.474 1.604 ( -2.852 -0.000 10.477) 10.858 1.710 ( 3.157 -0.000 5.656) 6.478 1.857 ( -13.795 0.000 15.535) 20.775 1.868 ( -1.199 -0.000 2.177) 2.485 2.118 ( -1.496 -0.000 -6.320) 6.494 2.199 ( -3.782 -0.000 -2.850) 4.735 2.473 ( -2.261 -0.000 2.314) 3.236 3.152 ( -16.414 -0.000 -20.784) 26.484 3.189 ( -15.166 -0.000 -19.097) 24.387 4.115 ( -3.568 -0.000 7.521) 8.324 4.234 ( 4.149 -0.000 9.349) 10.228 4.453 ( 12.854 -0.000 15.463) 20.108 4.875 ( 7.284 -0.000 -6.958) 10.073 4.899 ( 5.528 -0.000 -1.391) 5.700 5.184 ( 4.571 -0.000 -11.690) 12.551 5.708 ( -3.971 -0.000 -2.913) 4.925 5.789 ( -9.929 -0.000 -7.412) 12.391 8.152 ( 0.845 0.000 9.355) 9.393 8.462 ( -1.711 -0.000 -7.055) 7.260 9.622 ( 10.378 -0.000 15.033) 18.267 9.968 ( 6.720 -0.000 -2.187) 7.067 11.659 ( 10.853 -0.000 7.069) 12.952 11.676 ( 9.168 0.000 2.734) 9.567 12.758 ( -0.927 -0.000 -4.232) 4.333 12.931 ( -1.956 0.000 -12.303) 12.458 13.227 ( 7.510 -0.000 17.538) 19.079 13.816 ( 4.916 -0.000 -11.751) 12.738 14.362 ( -3.659 -0.000 10.313) 10.943 14.572 ( -3.593 -0.000 1.772) 4.006 16.509 ( -2.556 -0.000 -0.198) 2.564 16.614 ( -4.118 -0.000 -6.119) 7.376 24.981 ( -1.403 -0.000 -3.326) 3.610 25.003 ( -0.072 0.000 -4.452) 4.453 25.299 ( 1.078 -0.000 4.907) 5.024 25.493 ( 1.618 -0.000 -6.675) 6.869 25.863 ( -9.626 -0.000 9.602) 13.596 26.286 ( -13.462 -0.000 -13.278) 18.909 27.584 ( 5.478 -0.000 7.974) 9.675 27.788 ( 1.518 0.000 -1.635) 2.231======================= Grid point 402 (146/171) =======================q-point: ( 0.40 -0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( -3.446 0.247 1.060) 3.613 0.986 ( -4.897 -0.141 -6.924) 8.482 1.644 ( -0.106 1.140 5.990) 6.098 1.664 ( 1.902 -0.717 3.234) 3.819 1.727 ( -7.934 4.099 4.601) 10.046 1.796 ( -6.295 -2.921 8.100) 10.667 1.859 ( -2.609 2.220 5.925) 6.844 2.035 ( -1.973 0.354 -9.021) 9.241 2.095 ( -7.531 -0.101 1.739) 7.730 2.357 ( -9.382 -0.501 -16.261) 18.780 2.743 ( -13.470 1.364 -6.418) 14.983 2.838 ( -12.031 -1.466 -11.623) 16.793 4.125 ( -3.618 1.543 6.999) 8.029 4.264 ( -2.047 -2.506 -2.596) 4.149 4.741 ( 10.386 5.427 9.701) 15.213 4.912 ( 2.027 -0.112 -3.534) 4.075 5.050 ( 7.121 -2.072 7.512) 10.556 5.193 ( 6.575 -1.276 -6.905) 9.620 5.592 ( -1.162 3.288 -3.594) 5.008 5.690 ( -1.429 -6.970 -4.379) 8.355 8.213 ( 1.052 6.006 5.106) 7.953 8.404 ( -0.350 -4.496 -4.685) 6.502 9.846 ( 6.691 5.676 8.505) 12.220 10.055 ( 4.921 -5.586 -2.729) 7.929 11.848 ( 9.369 3.738 8.255) 13.034 11.918 ( 10.342 -3.409 6.449) 12.655 12.604 ( -2.031 15.432 -6.220) 16.762 12.918 ( 0.470 -15.566 -6.159) 16.747 13.497 ( 7.338 0.427 15.750) 17.381 13.784 ( 4.035 -2.144 -12.572) 13.376 14.409 ( -2.013 1.816 11.444) 11.761 14.531 ( -2.570 -0.011 0.378) 2.597 16.444 ( -3.433 0.714 -2.670) 4.407 16.483 ( -4.506 0.326 -7.125) 8.437 24.945 ( 0.162 1.214 -1.901) 2.262 24.981 ( 0.365 -1.828 -2.485) 3.107 25.356 ( 1.845 1.356 3.325) 4.037 25.472 ( 1.744 -2.436 -5.568) 6.323 25.788 ( -9.592 0.995 7.746) 12.369 25.979 ( -12.378 -1.872 -11.092) 16.726 27.702 ( 3.788 2.782 5.431) 7.182 27.804 ( 1.114 -1.593 -1.318) 2.349======================= Grid point 403 (147/171) =======================q-point: ( 0.50 -0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( -8.155 -0.450 0.000) 8.167 1.029 ( -8.155 0.450 0.000) 8.167 1.636 ( 2.974 -0.068 -0.000) 2.975 1.636 ( 2.974 0.068 -0.000) 2.975 1.899 ( -5.813 -1.850 0.000) 6.100 1.899 ( -5.813 1.850 0.000) 6.100 1.966 ( -0.407 -0.001 0.000) 0.407 1.966 ( -0.407 0.001 0.000) 0.407 2.389 ( -12.808 -0.333 0.000) 12.812 2.389 ( -12.808 0.333 0.000) 12.812 2.949 ( -14.284 -1.159 0.000) 14.331 2.949 ( -14.284 1.159 0.000) 14.331 4.254 ( -3.139 -0.777 0.000) 3.233 4.254 ( -3.139 0.777 0.000) 3.233 4.701 ( 12.455 -4.467 -0.000) 13.232 4.701 ( 12.455 4.467 0.000) 13.232 4.974 ( 9.869 -0.054 -0.000) 9.869 4.974 ( 9.869 0.054 -0.000) 9.869 5.706 ( -9.185 -4.557 0.000) 10.253 5.706 ( -9.185 4.557 0.000) 10.253 8.317 ( -0.838 -3.482 0.000) 3.582 8.317 ( -0.838 3.482 0.000) 3.582 9.857 ( 8.004 -3.920 0.000) 8.913 9.857 ( 8.004 3.920 0.000) 8.913 11.718 ( 14.556 -2.786 -0.000) 14.820 11.718 ( 14.556 2.786 -0.000) 14.820 12.760 ( -2.496 -12.033 -0.000) 12.289 12.760 ( -2.496 12.033 0.000) 12.289 13.545 ( 6.754 -1.238 0.000) 6.867 13.545 ( 6.754 1.238 0.000) 6.867 14.525 ( -1.494 -0.790 0.000) 1.690 14.525 ( -1.494 0.790 0.000) 1.690 16.534 ( -6.534 -0.475 0.000) 6.551 16.534 ( -6.534 0.475 0.000) 6.551 24.956 ( -0.962 -1.276 -0.000) 1.598 24.956 ( -0.962 1.276 0.000) 1.598 25.389 ( 0.326 -1.409 0.000) 1.446 25.389 ( 0.326 1.409 0.000) 1.446 26.057 ( -12.090 -0.570 0.000) 12.104 26.057 ( -12.090 0.570 0.000) 12.104 27.714 ( 4.061 -2.345 0.000) 4.689 27.714 ( 4.061 2.345 0.000) 4.689======================= Grid point 413 (148/171) =======================q-point: ( 0.40 -0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.852 ( -3.481 2.121 0.000) 4.076 0.872 ( -3.249 1.161 0.000) 3.450 1.560 ( -8.216 6.187 0.000) 10.286 1.635 ( -6.015 -0.048 0.000) 6.016 1.713 ( 1.246 -1.064 -0.000) 1.639 1.775 ( -3.178 -2.850 0.000) 4.269 1.832 ( -6.748 6.392 0.000) 9.295 1.898 ( -2.330 -0.292 0.000) 2.349 1.951 ( -13.087 3.072 0.000) 13.442 2.095 ( -3.985 -1.809 0.000) 4.377 2.614 ( -4.329 -1.110 0.000) 4.469 2.652 ( -7.977 -2.124 0.000) 8.255 4.057 ( -5.019 3.762 0.000) 6.273 4.277 ( -0.098 -6.994 -0.000) 6.994 4.847 ( 6.439 6.358 0.000) 9.049 4.853 ( -5.363 2.033 0.000) 5.735 5.155 ( -0.956 -0.199 0.000) 0.977 5.312 ( 8.860 -3.483 -0.000) 9.520 5.602 ( 4.328 0.141 -0.000) 4.330 5.785 ( 6.907 -8.311 -0.000) 10.807 8.168 ( 1.012 9.438 0.000) 9.492 8.444 ( 0.613 -5.313 -0.000) 5.349 9.873 ( 1.927 8.134 0.000) 8.359 10.176 ( 3.181 -7.535 -0.000) 8.179 11.993 ( 6.774 3.331 -0.000) 7.549 12.122 ( 7.412 -3.141 -0.000) 8.050 12.370 ( -2.210 18.342 0.000) 18.475 13.075 ( 2.246 -18.002 -0.000) 18.141 13.663 ( 5.134 2.378 -0.000) 5.658 13.799 ( 2.184 -4.683 -0.000) 5.167 14.427 ( -0.470 3.425 0.000) 3.457 14.513 ( -0.966 -1.184 -0.000) 1.528 16.341 ( -5.187 2.307 0.000) 5.676 16.402 ( -0.724 -0.283 0.000) 0.777 24.931 ( 0.777 1.318 0.000) 1.530 25.001 ( 0.814 -2.391 -0.000) 2.525 25.373 ( 1.177 2.584 0.000) 2.839 25.498 ( -0.645 -4.417 -0.000) 4.464 25.658 ( -8.375 3.371 0.000) 9.028 25.804 ( -6.610 -4.449 0.000) 7.968 27.752 ( 3.043 2.558 -0.000) 3.975 27.818 ( -0.319 -0.798 -0.000) 0.859======================= Grid point 424 (149/171) =======================q-point: ( 0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( -0.000 7.197 0.000) 7.197 0.830 ( -0.000 5.277 0.000) 5.277 1.327 ( -0.000 1.023 0.000) 1.023 1.493 ( 0.000 -5.476 -0.000) 5.476 1.692 ( -0.000 15.202 0.000) 15.202 1.742 ( 0.000 -0.826 -0.000) 0.826 1.754 ( 0.000 -1.962 -0.000) 1.962 1.794 ( -0.000 2.920 0.000) 2.920 1.845 ( 0.000 -1.004 -0.000) 1.004 2.046 ( 0.000 -3.655 -0.000) 3.655 2.524 ( 0.000 -0.870 -0.000) 0.870 2.551 ( 0.000 -3.056 -0.000) 3.056 3.963 ( -0.000 5.582 0.000) 5.582 4.283 ( 0.000 -10.756 -0.000) 10.756 4.739 ( -0.000 4.675 0.000) 4.675 4.901 ( 0.000 -5.025 -0.000) 5.025 5.135 ( -0.000 10.641 0.000) 10.641 5.466 ( 0.000 -6.861 -0.000) 6.861 5.687 ( -0.000 3.718 0.000) 3.718 5.966 ( 0.000 -9.957 -0.000) 9.957 8.194 ( -0.000 9.758 0.000) 9.758 8.459 ( 0.000 -4.510 -0.000) 4.510 9.879 ( -0.000 10.051 0.000) 10.051 10.221 ( 0.000 -7.906 -0.000) 7.906 12.093 ( -0.000 3.468 0.000) 3.468 12.233 ( 0.000 -3.797 -0.000) 3.797 12.346 ( -0.000 20.636 0.000) 20.636 13.119 ( 0.000 -19.699 -0.000) 19.699 13.744 ( -0.000 1.608 0.000) 1.608 13.823 ( 0.000 -2.651 -0.000) 2.651 14.421 ( -0.000 2.614 0.000) 2.614 14.499 ( 0.000 -1.602 -0.000) 1.602 16.258 ( -0.000 4.105 0.000) 4.105 16.405 ( 0.000 -3.731 -0.000) 3.731 24.950 ( -0.000 1.324 0.000) 1.324 25.021 ( 0.000 -2.292 -0.000) 2.292 25.373 ( -0.000 1.634 0.000) 1.634 25.425 ( 0.000 -1.127 -0.000) 1.127 25.541 ( -0.000 4.864 0.000) 4.864 25.754 ( 0.000 -6.183 -0.000) 6.183 27.798 ( -0.000 0.923 0.000) 0.923 27.805 ( -0.000 0.628 0.000) 0.628======================= Grid point 425 (150/171) =======================q-point: ( 0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( 0.627 3.239 8.349) 8.978 0.905 ( -1.028 1.752 8.882) 9.111 1.421 ( -4.666 -0.358 -0.037) 4.680 1.540 ( -6.563 -0.294 5.772) 8.745 1.719 ( 0.647 0.188 -1.706) 1.835 1.734 ( -0.719 -1.274 -0.835) 1.684 1.820 ( 0.705 1.722 0.683) 1.982 1.900 ( -4.558 6.273 9.429) 12.208 1.927 ( -5.175 1.132 10.852) 12.076 2.050 ( -4.532 -3.833 9.202) 10.950 2.529 ( -1.987 -0.977 -1.829) 2.872 2.575 ( -4.743 -1.179 4.158) 6.417 4.036 ( -1.676 5.802 -1.823) 6.308 4.196 ( -1.719 -8.137 0.719) 8.347 4.804 ( -2.497 2.622 -1.216) 3.819 4.872 ( -2.111 -2.137 -0.420) 3.034 5.193 ( 2.840 7.801 -5.147) 9.769 5.353 ( 3.099 -6.386 -3.053) 7.727 5.700 ( 4.066 5.246 1.090) 6.726 5.834 ( 5.754 -8.504 2.506) 10.569 8.268 ( 1.634 7.870 -0.380) 8.047 8.409 ( 0.299 -5.368 0.956) 5.461 9.962 ( 1.195 8.734 -1.808) 8.998 10.135 ( 0.764 -7.866 -0.245) 7.907 12.031 ( 2.831 5.290 -14.383) 15.584 12.123 ( 2.975 -4.349 -10.840) 12.053 12.588 ( 0.413 18.588 9.625) 20.937 12.948 ( 0.930 -19.145 5.379) 19.908 13.696 ( 5.173 0.427 -7.831) 9.395 13.821 ( -1.674 -1.370 4.262) 4.780 14.377 ( 0.405 1.328 -14.654) 14.719 14.447 ( -2.562 -0.629 -9.059) 9.435 16.364 ( -1.411 3.580 11.218) 11.860 16.427 ( -0.113 -3.010 11.293) 11.687 24.966 ( 0.726 1.548 1.958) 2.599 25.002 ( 0.675 -2.069 1.893) 2.885 25.394 ( 0.205 0.994 -0.178) 1.031 25.465 ( -3.051 -0.825 5.233) 6.114 25.614 ( -1.733 3.520 1.550) 4.219 25.721 ( -2.442 -4.607 4.053) 6.604 27.778 ( 1.351 0.746 -3.872) 4.169 27.806 ( -0.582 0.054 -1.510) 1.620======================= Grid point 426 (151/171) =======================q-point: ( 0.60 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( 2.885 0.000 12.549) 12.877 1.010 ( -1.172 0.000 8.735) 8.813 1.487 ( -7.063 -0.000 -4.445) 8.346 1.568 ( 0.637 -0.000 -6.109) 6.143 1.676 ( 2.344 -0.000 -3.460) 4.180 1.770 ( -0.319 0.000 1.998) 2.024 1.823 ( -0.262 0.000 0.356) 0.442 2.031 ( -2.858 0.000 6.418) 7.026 2.103 ( -3.941 0.000 11.823) 12.463 2.387 ( -6.674 0.000 19.678) 20.779 2.605 ( -13.708 0.000 8.622) 16.194 2.768 ( -11.131 0.000 13.996) 17.883 4.037 ( -0.914 -0.000 -5.557) 5.631 4.234 ( -3.197 0.000 2.177) 3.868 4.762 ( 3.030 -0.000 -10.314) 10.750 4.932 ( -3.246 0.000 1.251) 3.479 5.049 ( 6.504 -0.000 -12.482) 14.075 5.272 ( 1.561 -0.000 -1.994) 2.532 5.706 ( 3.985 0.000 8.108) 9.034 5.738 ( 4.425 0.000 7.709) 8.888 8.234 ( 4.062 -0.000 -4.603) 6.140 8.419 ( -1.248 0.000 4.665) 4.829 9.894 ( 6.676 -0.000 -8.954) 11.169 10.096 ( 1.043 0.000 1.357) 1.712 11.878 ( 4.145 -0.000 -15.324) 15.874 11.895 ( 4.660 -0.000 -17.361) 17.975 12.772 ( 1.736 0.000 6.595) 6.819 12.895 ( -0.747 0.000 12.151) 12.174 13.485 ( 8.546 -0.000 -13.899) 16.316 13.896 ( -0.724 0.000 7.735) 7.769 14.232 ( -3.187 -0.000 -20.268) 20.517 14.426 ( -5.473 -0.000 -9.747) 11.179 16.500 ( 1.293 0.000 12.589) 12.655 16.541 ( -0.748 0.000 15.143) 15.162 24.984 ( 1.031 0.000 3.300) 3.458 25.011 ( 0.297 0.000 4.493) 4.502 25.372 ( 2.477 -0.000 -1.307) 2.801 25.552 ( 0.420 0.000 9.140) 9.150 25.643 ( -2.864 -0.000 -2.493) 3.797 25.885 ( -10.855 0.000 10.642) 15.201 27.706 ( 2.540 -0.000 -6.598) 7.070 27.796 ( -0.757 -0.000 -2.877) 2.975======================= Grid point 436 (152/171) =======================q-point: ( 0.50 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( -0.000 6.689 8.829) 11.076 0.983 ( 0.000 4.343 17.545) 18.075 1.515 ( 0.000 0.409 2.675) 2.706 1.543 ( 0.000 -1.806 18.648) 18.735 1.706 ( -0.000 -0.762 -3.203) 3.293 1.719 ( 0.000 -1.729 -2.778) 3.272 1.911 ( 0.000 1.962 12.667) 12.818 1.916 ( 0.000 6.245 17.961) 19.015 1.948 ( 0.000 1.328 17.426) 17.476 2.112 ( 0.000 -1.453 8.259) 8.386 2.520 ( -0.000 0.172 0.231) 0.288 2.588 ( 0.000 -3.555 5.356) 6.429 3.966 ( -0.000 5.177 0.366) 5.190 4.262 ( 0.000 -10.039 -1.963) 10.229 4.757 ( -0.000 3.576 1.055) 3.728 4.852 ( -0.000 -2.068 -6.149) 6.488 5.084 ( -0.000 8.854 -6.385) 10.916 5.383 ( 0.000 -7.009 -10.134) 12.322 5.686 ( -0.000 5.579 1.218) 5.711 5.997 ( 0.000 -9.696 4.899) 10.863 8.213 ( -0.000 8.922 1.977) 9.138 8.455 ( 0.000 -4.107 -0.590) 4.150 9.875 ( -0.000 9.519 -0.674) 9.543 10.197 ( 0.000 -7.343 -3.211) 8.014 11.818 ( -0.000 8.475 -22.023) 23.597 12.057 ( -0.000 -4.924 -18.184) 18.838 12.549 ( -0.000 14.379 14.017) 20.081 13.169 ( 0.000 -16.800 3.696) 17.202 13.720 ( -0.000 0.352 -3.529) 3.546 13.787 ( 0.000 -3.313 -4.497) 5.585 14.234 ( -0.000 1.920 -16.459) 16.571 14.279 ( -0.000 -0.690 -19.494) 19.507 16.459 ( 0.000 4.241 19.136) 19.600 16.596 ( 0.000 -2.700 17.703) 17.908 24.984 ( 0.000 1.213 3.659) 3.855 25.049 ( 0.000 -2.081 3.121) 3.752 25.436 ( 0.000 1.102 6.655) 6.745 25.469 ( 0.000 -0.793 4.825) 4.890 25.609 ( -0.000 2.912 7.228) 7.792 25.793 ( 0.000 -5.973 4.307) 7.364 27.747 ( -0.000 1.065 -5.664) 5.763 27.760 ( -0.000 0.370 -4.949) 4.963======================= Grid point 437 (153/171) =======================q-point: ( 0.60 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.061 ( 0.668 5.126 9.424) 10.748 1.126 ( 1.399 -0.437 13.928) 14.005 1.511 ( 4.859 2.183 6.080) 8.083 1.594 ( 3.097 -3.694 2.906) 5.629 1.665 ( 0.437 -0.572 -4.329) 4.389 1.755 ( -3.352 0.561 3.598) 4.949 1.921 ( 7.705 0.969 11.199) 13.628 2.104 ( 2.935 -0.342 11.779) 12.143 2.138 ( -4.845 0.890 12.953) 13.858 2.464 ( -19.202 1.262 25.682) 32.091 2.512 ( 3.292 0.284 8.003) 8.658 2.741 ( -10.239 -1.021 17.112) 19.968 4.001 ( 1.620 3.162 -1.355) 3.802 4.207 ( -4.233 -5.183 0.223) 6.695 4.715 ( 3.470 -0.120 -9.845) 10.440 4.853 ( -4.710 1.763 -2.629) 5.675 5.019 ( 5.731 3.449 -14.011) 15.525 5.225 ( -1.498 -3.821 -11.342) 12.061 5.774 ( 1.885 8.084 8.139) 11.626 5.941 ( 3.128 -9.408 9.818) 13.953 8.259 ( 4.516 4.738 -0.625) 6.575 8.431 ( -2.115 -2.661 1.058) 3.560 9.899 ( 5.395 5.867 -5.391) 9.622 10.108 ( -1.143 -4.757 -3.457) 5.990 11.685 ( 0.752 7.655 -22.481) 23.761 11.812 ( 1.046 -6.060 -22.005) 22.849 12.779 ( 1.263 12.829 9.765) 16.172 13.061 ( -0.134 -12.972 5.231) 13.988 13.527 ( 9.600 -1.722 -10.181) 14.099 13.850 ( -10.558 -1.358 -4.575) 11.586 14.037 ( 3.715 0.514 -16.078) 16.510 14.213 ( -7.009 0.204 -13.827) 15.503 16.659 ( 2.048 3.294 18.794) 19.190 16.720 ( 1.966 -1.946 18.588) 18.792 25.030 ( 0.572 1.014 4.937) 5.072 25.063 ( 0.212 -1.438 4.722) 4.941 25.431 ( 4.411 0.028 4.268) 6.138 25.596 ( -2.858 2.202 8.791) 9.503 25.672 ( 1.397 -1.922 5.365) 5.868 25.845 ( -6.656 -2.440 9.220) 11.630 27.674 ( 1.937 0.809 -7.514) 7.801 27.730 ( -1.872 -0.114 -7.076) 7.321======================= Grid point 438 (154/171) =======================q-point: ( 0.70 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 0.477 0.000 6.901) 6.918 1.208 ( 1.344 0.000 10.509) 10.595 1.522 ( 3.579 0.000 3.262) 4.842 1.525 ( 4.395 0.000 4.191) 6.073 1.620 ( 2.067 0.000 0.652) 2.167 1.816 ( -0.386 0.000 2.984) 3.009 1.897 ( 8.137 0.000 10.168) 13.024 2.140 ( -0.060 0.000 3.295) 3.295 2.321 ( -1.802 0.000 15.288) 15.394 2.467 ( 2.299 -0.000 -1.021) 2.516 3.065 ( -17.592 0.000 32.057) 36.567 3.120 ( -13.039 0.000 24.425) 27.688 3.975 ( 0.628 -0.000 -1.205) 1.359 4.224 ( 1.414 -0.000 -3.026) 3.340 4.503 ( 8.020 -0.000 -18.769) 20.411 4.808 ( 1.778 -0.000 -14.153) 14.265 4.910 ( -4.511 -0.000 -4.171) 6.144 5.170 ( -4.470 -0.000 -8.722) 9.801 5.914 ( 2.867 0.000 11.945) 12.285 5.925 ( 1.440 0.000 15.258) 15.325 8.164 ( 6.697 -0.000 -3.512) 7.562 8.479 ( -2.858 0.000 1.965) 3.468 9.717 ( 10.381 -0.000 -10.651) 14.873 10.070 ( 0.587 -0.000 -4.087) 4.129 11.536 ( 0.168 -0.000 -22.079) 22.079 11.591 ( -2.342 -0.000 -16.289) 16.456 12.848 ( 3.160 -0.000 0.164) 3.164 13.096 ( -2.455 0.000 9.970) 10.268 13.282 ( 9.390 -0.000 -7.286) 11.885 13.851 ( -3.334 -0.000 -19.301) 19.586 14.005 ( -6.976 0.000 3.529) 7.818 14.220 ( -8.070 -0.000 -11.900) 14.379 16.745 ( 6.737 0.000 13.493) 15.081 16.832 ( 3.171 0.000 16.011) 16.322 25.066 ( 0.917 0.000 5.633) 5.707 25.105 ( -0.044 0.000 5.753) 5.753 25.379 ( 6.100 0.000 2.002) 6.420 25.627 ( 1.862 -0.000 0.249) 1.878 25.754 ( 0.205 0.000 13.841) 13.843 26.083 ( -12.408 0.000 11.181) 16.702 27.577 ( 2.581 -0.000 -7.467) 7.901 27.688 ( -2.458 -0.000 -9.285) 9.605======================= Grid point 448 (155/171) =======================q-point: ( 0.60 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -0.000 7.055 8.723) 11.219 1.238 ( 0.000 2.905 11.297) 11.665 1.560 ( -0.000 0.989 0.237) 1.017 1.631 ( 0.000 -2.370 -4.214) 4.835 1.664 ( 0.000 0.053 0.654) 0.656 1.818 ( 0.000 -4.486 8.381) 9.506 2.130 ( 0.000 2.377 10.695) 10.955 2.206 ( 0.000 -1.154 18.056) 18.093 2.315 ( 0.000 2.544 12.314) 12.574 2.420 ( 0.000 -1.839 16.581) 16.683 2.684 ( 0.000 5.836 29.626) 30.195 2.842 ( 0.000 -2.336 25.943) 26.048 3.981 ( 0.000 4.315 1.423) 4.544 4.229 ( 0.000 -8.405 -1.459) 8.531 4.673 ( 0.000 3.149 -13.902) 14.254 4.732 ( 0.000 0.176 -4.915) 4.918 4.892 ( 0.000 5.832 -14.824) 15.930 5.123 ( 0.000 -5.765 -17.924) 18.828 5.784 ( 0.000 8.972 10.424) 13.754 6.153 ( 0.000 -9.996 11.823) 15.482 8.252 ( -0.000 6.685 1.991) 6.975 8.433 ( 0.000 -3.165 -2.074) 3.783 9.842 ( 0.000 7.822 -3.415) 8.535 10.089 ( -0.000 -5.029 -9.312) 10.583 11.403 ( 0.000 8.324 -24.141) 25.536 11.657 ( 0.000 -5.296 -25.658) 26.199 12.772 ( 0.000 10.589 11.216) 15.424 13.177 ( 0.000 -9.393 -3.950) 10.190 13.575 ( 0.000 -1.332 -12.793) 12.862 13.662 ( 0.000 -6.023 -7.973) 9.992 14.012 ( -0.000 -0.027 -6.893) 6.893 14.015 ( -0.000 -0.257 -7.800) 7.804 16.812 ( -0.000 3.932 18.747) 19.154 16.907 ( -0.000 -0.258 15.653) 15.655 25.070 ( -0.000 0.939 5.834) 5.909 25.123 ( -0.000 -1.604 4.949) 5.202 25.585 ( -0.000 0.035 8.036) 8.036 25.591 ( -0.000 0.746 10.615) 10.641 25.765 ( -0.000 -0.904 9.405) 9.448 25.898 ( -0.000 -5.700 7.288) 9.252 27.609 ( -0.000 1.497 -9.641) 9.756 27.639 ( -0.000 -0.265 -8.446) 8.450======================= Grid point 449 (156/171) =======================q-point: ( 0.70 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 1.815 5.480 6.993) 9.068 1.310 ( 1.604 -3.306 5.953) 6.996 1.547 ( 0.783 2.995 1.655) 3.511 1.578 ( 0.776 -1.050 -4.791) 4.965 1.712 ( 0.177 1.011 7.099) 7.173 1.831 ( -0.868 -3.724 4.142) 5.637 2.174 ( 6.869 2.862 10.595) 12.947 2.232 ( 6.371 -2.875 8.015) 10.634 2.461 ( 1.840 3.191 20.135) 20.469 2.526 ( 2.267 -1.555 8.521) 8.953 3.133 ( -11.039 2.203 36.830) 38.512 3.181 ( -9.211 -0.387 30.200) 31.576 4.000 ( 2.878 1.993 1.198) 3.700 4.205 ( -3.905 -3.620 -0.345) 5.336 4.456 ( 8.986 0.635 -18.769) 20.819 4.733 ( 6.147 2.053 -15.513) 16.813 4.749 ( -7.654 -0.050 -11.087) 13.473 4.986 ( -6.293 -1.628 -14.677) 16.052 5.979 ( 0.676 9.403 14.145) 16.999 6.157 ( 1.649 -9.543 13.541) 16.647 8.239 ( 6.654 1.955 -2.015) 7.222 8.432 ( -4.024 -0.747 -1.198) 4.265 9.771 ( 8.990 3.029 -8.778) 12.924 10.005 ( -3.064 -1.320 -7.883) 8.560 11.275 ( -1.788 6.259 -23.567) 24.450 11.402 ( -3.088 -4.910 -23.241) 23.954 12.897 ( 4.610 4.233 3.148) 7.006 13.106 ( -2.320 -0.103 1.124) 2.580 13.386 ( 5.821 -4.709 -5.784) 9.461 13.612 ( -6.081 -1.803 -13.336) 14.767 13.965 ( -2.550 -1.063 0.718) 2.854 14.021 ( -5.280 -0.244 -7.755) 9.385 16.953 ( 4.979 2.098 13.505) 14.546 17.014 ( 2.264 0.023 13.885) 14.068 25.128 ( 0.508 0.473 5.837) 5.878 25.156 ( -0.017 -0.678 5.449) 5.491 25.534 ( 8.711 -0.318 7.001) 11.180 25.723 ( 7.059 1.762 5.297) 8.999 25.832 ( -6.585 -2.566 12.224) 14.120 26.021 ( -8.949 -2.119 10.199) 13.733 27.526 ( 0.989 1.710 -9.131) 9.342 27.566 ( -1.634 -1.111 -10.739) 10.919======================= Grid point 450 (157/171) =======================q-point: ( 0.80 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.255 ( 2.885 -0.000 -1.401) 3.207 1.266 ( 1.897 0.000 6.560) 6.829 1.483 ( 4.275 -0.000 -4.273) 6.044 1.638 ( -2.729 0.000 6.665) 7.202 1.785 ( 1.690 0.000 11.408) 11.532 1.859 ( -1.339 0.000 1.814) 2.255 2.159 ( 2.813 0.000 0.827) 2.932 2.204 ( 10.657 0.000 18.996) 21.781 2.473 ( 7.601 0.000 5.086) 9.146 2.651 ( 2.413 0.000 20.959) 21.097 3.565 ( -8.255 0.000 24.238) 25.605 3.586 ( -7.763 0.000 25.266) 26.432 3.996 ( 0.337 0.000 3.803) 3.818 4.085 ( 11.431 -0.000 -18.042) 21.359 4.192 ( 6.860 -0.000 -9.159) 11.443 4.558 ( -3.647 -0.000 -14.260) 14.719 4.790 ( -8.183 -0.000 -8.671) 11.923 4.981 ( -8.482 -0.000 -12.647) 15.228 6.149 ( 2.980 0.000 14.252) 14.560 6.185 ( 1.127 0.000 12.815) 12.865 8.098 ( 7.924 -0.000 -4.369) 9.049 8.489 ( -4.483 0.000 -0.590) 4.521 9.543 ( 10.420 -0.000 -8.201) 13.260 9.981 ( -1.911 -0.000 -4.956) 5.312 11.134 ( -4.454 -0.000 -23.007) 23.434 11.312 ( -8.913 -0.000 -15.351) 17.751 12.803 ( 7.015 -0.000 -2.574) 7.473 13.223 ( 5.967 -0.000 -1.406) 6.131 13.237 ( -5.074 0.000 6.005) 7.862 13.578 ( -4.847 -0.000 -10.736) 11.779 14.037 ( -6.244 -0.000 -8.389) 10.458 14.051 ( -6.784 0.000 1.630) 6.977 16.944 ( 9.267 0.000 8.742) 12.739 17.072 ( 4.865 0.000 10.741) 11.791 25.167 ( 0.795 0.000 5.327) 5.386 25.200 ( 0.330 0.000 4.754) 4.766 25.433 ( 10.505 0.000 3.699) 11.137 25.639 ( 5.669 -0.000 0.748) 5.718 26.034 ( -1.762 0.000 17.382) 17.471 26.266 ( -12.314 0.000 9.505) 15.556 27.456 ( 1.534 -0.000 -5.986) 6.179 27.474 ( -2.769 -0.000 -14.823) 15.079======================= Grid point 460 (158/171) =======================q-point: ( 0.70 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( -0.000 6.292 6.778) 9.248 1.398 ( -0.000 0.050 6.186) 6.186 1.521 ( -0.000 2.155 -1.703) 2.746 1.563 ( 0.000 -1.528 -2.747) 3.143 1.732 ( 0.000 -0.011 4.700) 4.700 1.901 ( 0.000 -4.396 1.856) 4.772 2.230 ( 0.000 4.019 1.941) 4.463 2.359 ( 0.000 -2.784 2.814) 3.959 2.676 ( 0.000 1.664 25.302) 25.356 2.703 ( 0.000 0.722 19.647) 19.660 3.347 ( 0.000 3.111 37.680) 37.808 3.392 ( 0.000 0.851 31.580) 31.591 4.015 ( 0.000 3.201 2.340) 3.965 4.208 ( 0.000 -6.595 -1.660) 6.800 4.397 ( 0.000 5.012 -15.306) 16.106 4.525 ( 0.000 -2.355 -17.904) 18.058 4.655 ( 0.000 3.679 -10.657) 11.274 4.788 ( 0.000 -3.414 -19.569) 19.865 6.029 ( 0.000 8.954 16.143) 18.460 6.370 ( 0.000 -8.886 11.643) 14.646 8.266 ( -0.000 3.640 -0.867) 3.742 8.374 ( 0.000 -2.361 -4.786) 5.336 9.753 ( 0.000 5.348 -6.307) 8.269 9.883 ( 0.000 -1.415 -12.885) 12.963 10.996 ( 0.000 6.684 -20.974) 22.013 11.197 ( 0.000 -4.001 -25.194) 25.510 12.955 ( 0.000 5.686 9.808) 11.338 13.069 ( 0.000 -1.711 -5.691) 5.943 13.353 ( -0.000 0.230 -10.672) 10.675 13.552 ( 0.000 -7.475 -5.207) 9.110 13.955 ( -0.000 -2.626 -0.899) 2.776 13.957 ( 0.000 -2.420 -0.667) 2.510 17.082 ( -0.000 3.094 11.480) 11.890 17.124 ( -0.000 1.718 8.877) 9.042 25.176 ( -0.000 0.615 5.779) 5.812 25.212 ( -0.000 -1.039 4.764) 4.875 25.737 ( -0.000 0.907 8.650) 8.698 25.798 ( 0.000 0.284 12.403) 12.406 25.909 ( -0.000 -2.674 6.287) 6.832 26.036 ( -0.000 -5.855 7.821) 9.770 27.425 ( -0.000 2.094 -10.534) 10.740 27.475 ( -0.000 -0.797 -9.761) 9.794======================= Grid point 461 (159/171) =======================q-point: ( 0.80 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 3.647 3.180 1.361) 5.027 1.374 ( 2.669 -2.329 3.068) 4.686 1.508 ( 2.768 -0.697 -1.705) 3.325 1.620 ( -4.590 2.384 5.528) 7.570 1.800 ( -2.556 2.480 2.453) 4.325 1.878 ( -1.409 -4.324 0.644) 4.593 2.249 ( 4.517 2.911 3.932) 6.659 2.350 ( 0.921 -1.694 2.179) 2.910 2.785 ( 11.039 0.723 21.539) 24.214 2.897 ( 2.928 0.693 23.417) 23.610 3.689 ( -3.431 1.424 25.515) 25.784 3.721 ( -4.412 1.151 27.153) 27.533 4.035 ( 2.635 2.379 1.379) 3.808 4.113 ( 10.635 -1.236 -16.192) 19.411 4.197 ( -1.534 -3.057 -0.594) 3.472 4.439 ( 5.849 1.660 -16.501) 17.586 4.539 ( -10.803 -1.080 -12.172) 16.310 4.724 ( -8.696 0.117 -14.907) 17.259 6.239 ( 0.985 7.626 14.145) 16.100 6.380 ( 1.652 -7.431 10.762) 13.182 8.175 ( 7.350 -0.033 -5.287) 9.054 8.390 ( -6.077 -0.079 -3.246) 6.890 9.616 ( 9.013 1.591 -7.732) 11.981 9.861 ( -5.922 0.792 -7.388) 9.501 10.875 ( -1.247 2.451 -20.614) 20.796 11.032 ( -8.059 -1.187 -17.795) 19.570 12.923 ( 8.128 -0.409 1.671) 8.308 13.152 ( -4.809 4.406 4.144) 7.727 13.283 ( 0.985 -0.007 -5.966) 6.047 13.463 ( -2.914 -5.115 -5.200) 7.854 13.928 ( -1.580 -1.241 -3.100) 3.694 13.981 ( -4.819 -2.022 0.851) 5.294 17.127 ( 6.193 1.354 6.530) 9.101 17.201 ( 1.607 1.000 7.341) 7.581 25.223 ( 0.676 0.079 4.582) 4.632 25.243 ( 0.189 -0.065 4.145) 4.150 25.661 ( 12.113 -0.485 6.961) 13.979 25.795 ( 12.018 -0.008 2.768) 12.332 26.045 ( -11.927 -1.670 10.266) 15.825 26.204 ( -10.471 -1.501 10.995) 15.258 27.326 ( 1.866 1.299 -13.021) 13.218 27.407 ( -1.676 -0.676 -6.792) 7.028======================= Grid point 462 (160/171) =======================q-point: ( 0.90 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.226 ( 3.700 -0.000 -1.369) 3.945 1.347 ( 4.165 0.000 1.068) 4.299 1.450 ( 3.360 0.000 2.008) 3.914 1.743 ( -3.108 0.000 5.460) 6.283 1.872 ( -1.655 -0.000 -0.689) 1.793 1.896 ( -4.700 0.000 0.662) 4.747 2.237 ( 5.037 0.000 7.897) 9.367 2.327 ( 2.688 -0.000 -0.088) 2.689 2.768 ( 14.650 0.000 20.238) 24.984 3.003 ( 7.687 0.000 16.482) 18.186 3.756 ( 11.398 -0.000 -14.234) 18.235 3.889 ( 5.268 0.000 8.235) 9.776 3.910 ( 1.603 0.000 12.004) 12.111 4.100 ( 8.010 -0.000 -2.075) 8.275 4.136 ( -4.304 0.000 12.081) 12.825 4.316 ( -6.794 -0.000 -12.154) 13.924 4.640 ( -12.612 -0.000 -7.734) 14.795 4.735 ( -9.235 -0.000 -13.933) 16.716 6.347 ( 2.652 0.000 5.328) 5.951 6.386 ( 4.861 0.000 11.272) 12.276 8.012 ( 6.549 -0.000 -4.795) 8.117 8.475 ( -6.923 0.000 -0.571) 6.947 9.451 ( 6.549 -0.000 -2.185) 6.904 9.920 ( -6.678 -0.000 -1.769) 6.909 10.761 ( -6.060 -0.000 -17.481) 18.502 11.067 ( -12.162 -0.000 -11.255) 16.571 12.804 ( 9.470 0.000 2.366) 9.761 13.184 ( 3.611 -0.000 -3.144) 4.788 13.313 ( -6.833 0.000 2.808) 7.387 13.462 ( -4.231 -0.000 -3.337) 5.389 13.929 ( -3.384 -0.000 -3.884) 5.151 14.069 ( -6.550 0.000 0.517) 6.570 17.053 ( 9.693 0.000 3.803) 10.413 17.209 ( 4.968 0.000 4.927) 6.996 25.243 ( 0.883 0.000 3.113) 3.236 25.266 ( 1.096 0.000 2.584) 2.807 25.496 ( 14.558 0.000 3.099) 14.885 25.646 ( 7.516 -0.000 0.050) 7.516 26.306 ( -10.531 0.000 9.695) 14.314 26.457 ( -7.262 0.000 15.219) 16.863 27.177 ( -0.409 -0.000 -18.371) 18.376 27.374 ( 0.205 -0.000 -3.205) 3.212======================= Grid point 464 (161/171) =======================q-point: ( 0.00 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.214 ( 3.732 -0.000 0.000) 3.732 1.343 ( 5.021 -0.000 0.000) 5.021 1.489 ( 3.393 -0.000 0.000) 3.393 1.820 ( -2.947 0.000 -0.000) 2.947 1.838 ( -1.917 0.000 -0.000) 1.917 1.885 ( -5.741 0.000 -0.000) 5.741 2.320 ( 3.709 -0.000 0.000) 3.709 2.332 ( 2.769 -0.000 0.000) 2.769 2.971 ( 12.785 -0.000 0.000) 12.785 3.148 ( 12.427 -0.000 0.000) 12.427 3.653 ( 10.294 -0.000 0.000) 10.294 3.945 ( 11.431 -0.000 0.000) 11.431 3.948 ( 9.890 -0.000 0.000) 9.890 4.150 ( -0.746 0.000 -0.000) 0.746 4.180 ( -5.259 0.000 -0.000) 5.259 4.305 ( -5.229 0.000 -0.000) 5.229 4.512 ( -11.281 0.000 -0.000) 11.281 4.606 ( -12.319 0.000 -0.000) 12.319 6.389 ( 3.551 -0.000 0.000) 3.551 6.495 ( 6.617 -0.000 0.000) 6.617 7.962 ( 4.683 -0.000 0.000) 4.683 8.471 ( -8.292 0.000 -0.000) 8.292 9.440 ( 3.873 -0.000 0.000) 3.873 9.908 ( -9.339 0.000 -0.000) 9.339 10.592 ( -5.602 0.000 -0.000) 5.602 10.959 ( -12.634 0.000 -0.000) 12.634 12.840 ( 10.567 -0.000 0.000) 10.567 13.144 ( 2.518 -0.000 0.000) 2.518 13.340 ( -6.382 0.000 -0.000) 6.382 13.434 ( -4.966 0.000 -0.000) 4.966 13.896 ( -2.169 0.000 -0.000) 2.169 14.073 ( -6.309 0.000 -0.000) 6.309 17.085 ( 9.601 -0.000 0.000) 9.601 17.251 ( 4.802 -0.000 0.000) 4.802 25.271 ( 0.974 -0.000 0.000) 0.974 25.289 ( 1.473 -0.000 0.000) 1.473 25.527 ( 16.743 -0.000 0.000) 16.743 25.645 ( 7.465 -0.000 0.000) 7.465 26.377 ( -13.619 0.000 -0.000) 13.619 26.720 ( -17.749 0.000 -0.000) 17.749 26.902 ( 12.688 -0.000 0.000) 12.688 27.345 ( -0.395 0.000 -0.000) 0.395======================= Grid point 472 (162/171) =======================q-point: ( 0.80 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.318 ( 0.000 3.049 3.551) 4.681 1.405 ( -0.000 -2.665 -2.638) 3.750 1.553 ( 0.000 1.452 1.745) 2.271 1.576 ( -0.000 5.156 4.719) 6.990 1.791 ( -0.000 -2.033 2.090) 2.916 1.896 ( 0.000 -3.682 -2.190) 4.284 2.272 ( 0.000 4.824 3.687) 6.072 2.382 ( 0.000 -0.726 -0.190) 0.751 3.061 ( -0.000 2.332 18.863) 19.007 3.099 ( 0.000 -0.093 20.396) 20.396 3.836 ( 0.000 3.271 16.173) 16.501 3.906 ( 0.000 1.486 23.555) 23.601 4.051 ( 0.000 4.081 0.864) 4.172 4.086 ( 0.000 0.187 -10.328) 10.330 4.248 ( 0.000 -3.066 -9.601) 10.079 4.269 ( 0.000 -2.352 0.724) 2.461 4.442 ( 0.000 -0.230 -19.138) 19.139 4.472 ( 0.000 -0.447 -9.682) 9.692 6.313 ( 0.000 5.723 14.812) 15.879 6.525 ( 0.000 -5.323 4.776) 7.152 8.223 ( -0.000 0.552 -3.165) 3.213 8.272 ( 0.000 -2.163 -6.029) 6.405 9.646 ( -0.000 3.501 -4.899) 6.021 9.685 ( 0.000 1.481 -8.374) 8.504 10.701 ( 0.000 4.340 -11.390) 12.189 10.812 ( 0.000 -1.548 -17.251) 17.320 13.027 ( 0.000 1.743 1.103) 2.063 13.127 ( -0.000 -0.080 9.628) 9.628 13.202 ( -0.000 3.276 -6.857) 7.599 13.446 ( 0.000 -5.191 -7.165) 8.848 13.955 ( -0.000 -4.468 0.460) 4.492 13.958 ( 0.000 -4.177 0.337) 4.191 17.221 ( -0.000 2.410 4.648) 5.236 17.230 ( 0.000 2.376 3.597) 4.311 25.262 ( 0.000 0.299 3.702) 3.714 25.280 ( -0.000 -0.497 2.696) 2.741 25.875 ( -0.000 1.090 6.670) 6.758 25.977 ( -0.000 -0.332 1.608) 1.642 26.010 ( 0.000 -2.767 10.740) 11.091 26.149 ( -0.000 -5.799 4.142) 7.126 27.264 ( -0.000 2.248 -6.720) 7.086 27.311 ( -0.000 -0.492 -8.091) 8.106======================= Grid point 473 (163/171) =======================q-point: ( 0.90 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( 4.807 0.105 -0.460) 4.830 1.393 ( 0.210 -1.103 -0.396) 1.191 1.539 ( 5.085 1.276 3.124) 6.103 1.709 ( -5.017 4.053 3.310) 7.249 1.811 ( -2.462 -0.602 0.292) 2.551 1.854 ( -2.353 -3.615 -2.756) 5.119 2.329 ( 1.888 3.102 4.006) 5.407 2.364 ( 1.550 -0.222 -0.204) 1.579 3.105 ( 10.683 0.257 11.441) 15.656 3.237 ( 4.342 0.322 12.079) 12.839 3.832 ( 10.135 0.839 -5.902) 11.758 4.029 ( 3.505 1.706 8.360) 9.224 4.049 ( 2.768 0.846 7.884) 8.398 4.140 ( -3.955 1.506 2.498) 4.914 4.165 ( -0.630 -1.048 -3.517) 3.724 4.206 ( 5.220 -1.665 -3.754) 6.641 4.380 ( -11.547 -0.812 -4.197) 12.313 4.484 ( -8.728 0.043 -10.528) 13.676 6.425 ( 3.434 1.974 5.550) 6.818 6.521 ( 0.738 -1.536 4.908) 5.195 8.080 ( 7.159 -1.219 -3.981) 8.282 8.340 ( -8.853 -0.161 -1.761) 9.028 9.524 ( 6.736 1.361 -2.534) 7.324 9.769 ( -8.614 1.440 -2.673) 9.134 10.602 ( 1.219 0.583 -8.707) 8.811 10.806 ( -10.325 0.705 -6.938) 12.460 12.974 ( 8.629 0.385 3.058) 9.163 13.189 ( 1.499 3.801 -3.838) 5.606 13.237 ( -4.835 -1.315 4.405) 6.672 13.380 ( -4.295 -2.652 -4.190) 6.560 13.898 ( 0.459 -2.181 -0.686) 2.332 13.993 ( -5.274 -2.551 0.360) 5.870 17.197 ( 6.363 1.140 1.763) 6.700 17.282 ( 1.042 1.121 2.118) 2.613 25.280 ( 0.905 -0.211 1.736) 1.969 25.294 ( 0.436 0.352 1.519) 1.619 25.765 ( 13.192 -0.764 4.386) 13.923 25.815 ( 15.470 -0.217 -0.653) 15.485 26.162 ( -13.342 -2.417 3.063) 13.900 26.391 ( -17.134 -0.247 7.850) 18.849 27.122 ( 8.505 0.491 -8.024) 11.703 27.323 ( -3.646 0.137 -2.515) 4.432======================= Grid point 484 (164/171) =======================q-point: (-0.10 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( -0.000 -0.758 -1.671) 1.835 1.362 ( 0.000 -0.758 1.671) 1.835 1.600 ( -0.000 4.781 -1.726) 5.083 1.600 ( 0.000 4.781 1.726) 5.083 1.838 ( 0.000 -3.619 -3.625) 5.123 1.838 ( 0.000 -3.619 3.625) 5.123 2.346 ( -0.000 2.787 -3.730) 4.656 2.346 ( -0.000 2.787 3.730) 4.656 3.281 ( -0.000 0.905 -2.168) 2.350 3.281 ( 0.000 0.905 2.168) 2.350 3.948 ( -0.000 3.275 -2.192) 3.941 3.948 ( 0.000 3.275 2.192) 3.941 4.142 ( -0.000 -1.121 -8.622) 8.695 4.142 ( 0.000 -1.121 8.622) 8.695 4.172 ( -0.000 2.047 -1.913) 2.801 4.172 ( -0.000 2.047 1.912) 2.801 4.338 ( 0.000 -2.860 -5.832) 6.495 4.338 ( 0.000 -2.860 5.832) 6.495 6.511 ( -0.000 0.327 -6.453) 6.461 6.511 ( 0.000 0.327 6.453) 6.461 8.198 ( -0.000 -1.584 -0.605) 1.696 8.198 ( 0.000 -1.584 0.605) 1.696 9.605 ( -0.000 2.708 -0.193) 2.714 9.605 ( 0.000 2.708 0.193) 2.714 10.625 ( -0.000 1.464 -2.644) 3.023 10.625 ( 0.000 1.464 2.644) 3.023 13.090 ( -0.000 2.562 -5.008) 5.625 13.090 ( 0.000 2.562 5.008) 5.625 13.300 ( -0.000 -2.113 -9.161) 9.402 13.300 ( 0.000 -2.113 9.161) 9.402 13.961 ( -0.000 -4.903 -0.007) 4.903 13.961 ( 0.000 -4.903 0.007) 4.903 17.260 ( -0.000 2.296 -0.018) 2.296 17.260 ( 0.000 2.296 0.018) 2.296 25.300 ( -0.000 -0.052 -0.486) 0.489 25.300 ( 0.000 -0.052 0.486) 0.489 25.963 ( -0.000 0.191 -2.411) 2.418 25.963 ( 0.000 0.191 2.411) 2.418 26.152 ( -0.000 -4.147 -2.862) 5.039 26.152 ( 0.000 -4.147 2.862) 5.039 27.217 ( -0.000 1.011 -0.991) 1.416 27.217 ( 0.000 1.011 0.991) 1.416======================= Grid point 525 (165/171) =======================q-point: ( 0.50 -0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( -1.810 -0.058 0.000) 1.811 0.877 ( -1.810 0.058 0.000) 1.811 1.630 ( -10.136 -0.226 0.000) 10.138 1.630 ( -10.136 0.226 0.000) 10.138 1.720 ( 0.243 -1.151 0.000) 1.176 1.720 ( 0.243 1.151 0.000) 1.176 1.895 ( -3.341 -0.040 0.000) 3.341 1.895 ( -3.341 0.040 0.000) 3.341 2.031 ( -8.019 -1.370 0.000) 8.135 2.031 ( -8.019 1.370 0.000) 8.135 2.617 ( -6.629 -0.246 0.000) 6.633 2.617 ( -6.629 0.246 0.000) 6.633 4.151 ( -2.999 -3.298 0.000) 4.458 4.151 ( -2.999 3.298 0.000) 4.458 4.883 ( -1.530 -0.114 0.000) 1.535 4.883 ( -1.530 0.114 0.000) 1.535 5.225 ( 5.863 -2.678 -0.000) 6.446 5.225 ( 5.863 2.678 0.000) 6.446 5.653 ( 5.857 -4.909 -0.000) 7.642 5.653 ( 5.857 4.909 0.000) 7.642 8.326 ( 1.132 -4.995 0.000) 5.122 8.326 ( 1.132 4.995 0.000) 5.122 10.028 ( 2.813 -5.633 0.000) 6.297 10.028 ( 2.813 5.633 0.000) 6.297 12.058 ( 7.038 -2.917 -0.000) 7.619 12.058 ( 7.038 2.917 -0.000) 7.619 12.725 ( 0.147 -18.408 -0.000) 18.408 12.725 ( 0.147 18.408 0.000) 18.408 13.720 ( 3.927 -0.752 0.000) 3.998 13.720 ( 3.927 0.752 0.000) 3.998 14.481 ( -1.084 -0.629 0.000) 1.253 14.481 ( -1.084 0.629 0.000) 1.253 16.380 ( -3.171 -1.357 0.000) 3.449 16.380 ( -3.171 1.357 0.000) 3.449 24.961 ( 0.822 -1.589 -0.000) 1.789 24.961 ( 0.822 1.589 0.000) 1.789 25.428 ( 0.698 -1.340 0.000) 1.510 25.428 ( 0.698 1.340 0.000) 1.510 25.726 ( -7.510 -1.389 0.000) 7.638 25.726 ( -7.510 1.389 0.000) 7.638 27.794 ( 1.248 -0.717 0.000) 1.439 27.794 ( 1.248 0.717 0.000) 1.439======================= Grid point 537 (166/171) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( 0.000 -2.397 -0.000) 2.397 0.856 ( -0.000 2.397 0.000) 2.397 1.387 ( 0.000 -5.164 -0.000) 5.164 1.387 ( -0.000 5.164 0.000) 5.164 1.733 ( 0.000 -0.313 -0.000) 0.313 1.733 ( -0.000 0.313 0.000) 0.313 1.830 ( 0.000 -1.058 -0.000) 1.058 1.830 ( -0.000 1.058 0.000) 1.058 1.925 ( 0.000 -9.515 -0.000) 9.515 1.925 ( -0.000 9.515 0.000) 9.515 2.518 ( 0.000 -0.484 -0.000) 0.484 2.518 ( -0.000 0.484 0.000) 0.484 4.099 ( 0.000 -8.829 -0.000) 8.829 4.099 ( -0.000 8.829 0.000) 8.829 4.818 ( 0.000 -4.132 -0.000) 4.132 4.818 ( -0.000 4.132 0.000) 4.132 5.319 ( 0.000 -9.012 -0.000) 9.012 5.319 ( -0.000 9.012 0.000) 9.012 5.797 ( 0.000 -7.862 -0.000) 7.862 5.797 ( -0.000 7.862 0.000) 7.862 8.351 ( 0.000 -7.153 -0.000) 7.153 8.351 ( -0.000 7.153 0.000) 7.153 10.060 ( 0.000 -9.346 -0.000) 9.346 10.060 ( -0.000 9.346 0.000) 9.346 12.162 ( 0.000 -3.832 -0.000) 3.832 12.162 ( -0.000 3.832 0.000) 3.832 12.737 ( 0.000 -21.165 -0.000) 21.165 12.737 ( -0.000 21.165 0.000) 21.165 13.779 ( 0.000 -2.112 -0.000) 2.112 13.779 ( -0.000 2.112 0.000) 2.112 14.465 ( 0.000 -2.083 -0.000) 2.083 14.465 ( -0.000 2.083 0.000) 2.083 16.333 ( 0.000 -3.992 -0.000) 3.992 16.333 ( -0.000 3.992 0.000) 3.992 24.981 ( 0.000 -1.941 -0.000) 1.941 24.981 ( -0.000 1.941 0.000) 1.941 25.401 ( 0.000 -1.402 -0.000) 1.402 25.401 ( -0.000 1.402 0.000) 1.402 25.641 ( 0.000 -5.845 -0.000) 5.845 25.641 ( -0.000 5.845 0.000) 5.845 27.809 ( 0.000 -0.180 -0.000) 0.180 27.809 ( -0.000 0.180 0.000) 0.180======================= Grid point 549 (167/171) =======================q-point: (-0.40 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 0.000 -1.707 12.505) 12.621 1.009 ( 0.000 1.707 12.505) 12.621 1.518 ( -0.000 -0.118 11.084) 11.085 1.518 ( 0.000 0.118 11.084) 11.085 1.701 ( -0.000 -0.223 -2.697) 2.707 1.701 ( -0.000 0.223 -2.697) 2.707 1.932 ( -0.000 -0.056 10.929) 10.929 1.932 ( 0.000 0.056 10.929) 10.929 2.053 ( -0.000 -4.297 15.760) 16.336 2.053 ( 0.000 4.297 15.760) 16.336 2.537 ( -0.000 -1.270 3.294) 3.530 2.537 ( 0.000 1.270 3.294) 3.530 4.091 ( 0.000 -7.898 -0.619) 7.923 4.091 ( -0.000 7.898 -0.619) 7.923 4.810 ( -0.000 -2.070 -1.836) 2.766 4.810 ( 0.000 2.070 -1.836) 2.766 5.242 ( 0.000 -7.861 -9.090) 12.018 5.242 ( -0.000 7.861 -9.090) 12.018 5.823 ( 0.000 -8.764 4.036) 9.649 5.823 ( -0.000 8.764 4.036) 9.649 8.357 ( 0.000 -6.329 0.466) 6.346 8.357 ( -0.000 6.329 0.466) 6.346 10.046 ( 0.000 -8.613 -1.891) 8.818 10.046 ( -0.000 8.613 -1.891) 8.818 11.954 ( -0.000 -6.307 -19.945) 20.919 11.954 ( -0.000 6.307 -19.945) 20.919 12.848 ( 0.000 -17.207 9.037) 19.436 12.848 ( -0.000 17.207 9.037) 19.436 13.740 ( -0.000 -0.756 -4.995) 5.051 13.740 ( 0.000 0.756 -4.995) 5.051 14.262 ( -0.000 -0.571 -17.919) 17.928 14.262 ( 0.000 0.571 -17.919) 17.928 16.534 ( 0.000 -3.816 18.932) 19.313 16.534 ( 0.000 3.816 18.932) 19.313 25.012 ( 0.000 -1.811 3.435) 3.884 25.012 ( -0.000 1.811 3.435) 3.884 25.453 ( -0.000 -0.324 5.670) 5.679 25.453 ( 0.000 0.324 5.670) 5.679 25.687 ( 0.000 -4.936 5.013) 7.035 25.687 ( -0.000 4.936 5.013) 7.035 27.760 ( -0.000 -0.153 -5.354) 5.356 27.760 ( 0.000 0.153 -5.354) 5.356======================= Grid point 561 (168/171) =======================q-point: (-0.30 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( 0.000 -4.960 9.349) 10.583 1.204 ( -0.000 4.960 9.349) 10.583 1.596 ( -0.000 -1.351 -2.855) 3.158 1.596 ( 0.000 1.351 -2.855) 3.158 1.718 ( -0.000 -4.833 5.376) 7.229 1.718 ( 0.000 4.833 5.376) 7.229 2.172 ( -0.000 -1.317 13.332) 13.397 2.172 ( 0.000 1.317 13.332) 13.397 2.372 ( -0.000 -1.504 14.905) 14.980 2.372 ( 0.000 1.504 14.905) 14.980 2.781 ( 0.000 -3.532 28.834) 29.050 2.781 ( 0.000 3.532 28.834) 29.050 4.086 ( -0.000 -6.243 0.192) 6.246 4.086 ( 0.000 6.243 0.192) 6.246 4.715 ( -0.000 -0.680 -9.692) 9.716 4.715 ( 0.000 0.680 -9.692) 9.716 5.009 ( -0.000 -5.650 -16.020) 16.987 5.009 ( 0.000 5.650 -16.020) 16.987 5.964 ( 0.000 -10.157 11.645) 15.452 5.964 ( -0.000 10.157 11.645) 15.452 8.359 ( -0.000 -4.270 -0.504) 4.300 8.359 ( 0.000 4.270 -0.504) 4.300 9.979 ( -0.000 -6.148 -6.099) 8.660 9.979 ( 0.000 6.148 -6.099) 8.660 11.544 ( -0.000 -6.853 -25.058) 25.978 11.544 ( -0.000 6.853 -25.058) 25.978 12.981 ( 0.000 -11.161 5.186) 12.307 12.981 ( -0.000 11.161 5.186) 12.307 13.582 ( -0.000 -0.945 -11.640) 11.678 13.582 ( 0.000 0.945 -11.640) 11.678 14.013 ( -0.000 -0.000 -8.275) 8.275 14.013 ( 0.000 0.000 -8.275) 8.275 16.876 ( 0.000 -2.732 17.690) 17.899 16.876 ( 0.000 2.732 17.690) 17.899 25.094 ( 0.000 -1.457 5.460) 5.651 25.094 ( 0.000 1.457 5.460) 5.651 25.589 ( -0.000 -0.039 9.343) 9.343 25.589 ( 0.000 0.039 9.343) 9.343 25.804 ( -0.000 -3.135 7.666) 8.282 25.804 ( 0.000 3.135 7.666) 8.282 27.630 ( -0.000 -0.594 -9.074) 9.094 27.630 ( -0.000 0.594 -9.074) 9.094======================= Grid point 573 (169/171) =======================q-point: (-0.20 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.334 ( 0.000 -5.208 4.823) 7.098 1.334 ( -0.000 5.208 4.823) 7.098 1.548 ( -0.000 -0.254 -0.812) 0.851 1.548 ( 0.000 0.254 -0.812) 0.851 1.800 ( 0.000 -5.840 3.166) 6.643 1.800 ( -0.000 5.840 3.166) 6.643 2.301 ( 0.000 -3.320 3.086) 4.533 2.301 ( -0.000 3.320 3.086) 4.533 2.701 ( 0.000 -0.635 22.527) 22.536 2.701 ( 0.000 0.635 22.527) 22.536 3.390 ( 0.000 -1.284 34.816) 34.840 3.390 ( 0.000 1.284 34.816) 34.840 4.095 ( -0.000 -4.715 0.589) 4.752 4.095 ( 0.000 4.715 0.589) 4.752 4.472 ( -0.000 -1.595 -16.402) 16.480 4.472 ( 0.000 1.595 -16.402) 16.480 4.723 ( -0.000 -2.257 -15.818) 15.978 4.723 ( 0.000 2.257 -15.818) 15.978 6.200 ( 0.000 -9.328 13.997) 16.820 6.200 ( -0.000 9.328 13.997) 16.820 8.326 ( -0.000 -1.926 -3.556) 4.044 8.326 ( 0.000 1.926 -3.556) 4.044 9.837 ( -0.000 -2.438 -9.275) 9.590 9.837 ( 0.000 2.438 -9.275) 9.590 11.109 ( -0.000 -5.243 -23.104) 23.691 11.109 ( -0.000 5.243 -23.104) 23.691 13.033 ( -0.000 -1.510 1.731) 2.297 13.033 ( 0.000 1.510 1.731) 2.297 13.413 ( -0.000 -5.646 -6.720) 8.777 13.413 ( 0.000 5.646 -6.720) 8.777 13.935 ( -0.000 -0.128 -2.023) 2.027 13.935 ( -0.000 0.128 -2.023) 2.027 17.125 ( -0.000 -1.089 10.315) 10.373 17.125 ( 0.000 1.089 10.315) 10.373 25.192 ( 0.000 -0.968 5.347) 5.434 25.192 ( 0.000 0.968 5.347) 5.434 25.764 ( -0.000 -0.781 9.800) 9.831 25.764 ( 0.000 0.781 9.800) 9.831 25.941 ( -0.000 -2.526 7.535) 7.947 25.941 ( 0.000 2.526 7.535) 7.947 27.456 ( -0.000 -1.225 -10.078) 10.152 27.456 ( -0.000 1.225 -10.078) 10.152======================= Grid point 586 (170/171) =======================q-point: (-0.10 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( -0.000 -1.552 -0.581) 1.657 1.363 ( 0.000 1.552 -0.581) 1.657 1.595 ( -0.000 -1.333 5.102) 5.273 1.595 ( 0.000 1.333 5.102) 5.273 1.817 ( 0.000 -4.123 -1.186) 4.290 1.817 ( -0.000 4.123 -1.186) 4.290 2.348 ( 0.000 -2.956 2.546) 3.902 2.348 ( -0.000 2.957 2.546) 3.902 3.091 ( -0.000 -0.386 19.466) 19.470 3.091 ( 0.000 0.386 19.466) 19.470 3.897 ( 0.000 -2.328 19.593) 19.731 3.897 ( 0.000 2.328 19.593) 19.731 4.088 ( -0.000 -0.006 -2.179) 2.179 4.088 ( 0.000 0.006 -2.179) 2.179 4.230 ( -0.000 -0.307 -7.291) 7.297 4.230 ( 0.000 0.307 -7.291) 7.297 4.455 ( -0.000 -0.292 -13.976) 13.979 4.455 ( 0.000 0.292 -13.976) 13.979 6.421 ( 0.000 -5.761 9.884) 11.441 6.421 ( -0.000 5.761 9.884) 11.441 8.240 ( -0.000 -0.401 -5.321) 5.337 8.240 ( 0.000 0.401 -5.321) 5.337 9.689 ( -0.000 -0.261 -6.415) 6.421 9.689 ( 0.000 0.261 -6.415) 6.421 10.770 ( -0.000 -2.131 -14.265) 14.423 10.770 ( 0.000 2.131 -14.265) 14.423 13.077 ( -0.000 -2.082 3.432) 4.014 13.077 ( 0.000 2.082 3.432) 4.014 13.322 ( 0.000 -7.205 -4.390) 8.437 13.322 ( -0.000 7.205 -4.390) 8.437 13.917 ( -0.000 -0.033 -0.338) 0.340 13.917 ( 0.000 0.033 -0.338) 0.340 17.248 ( -0.000 -0.105 4.062) 4.064 17.248 ( 0.000 0.105 4.062) 4.064 25.270 ( 0.000 -0.432 3.251) 3.280 25.270 ( 0.000 0.432 3.251) 3.280 25.908 ( -0.000 -1.192 5.874) 5.994 25.908 ( 0.000 1.192 5.874) 5.994 26.061 ( -0.000 -1.722 5.634) 5.891 26.061 ( 0.000 1.722 5.634) 5.891 27.296 ( -0.000 -0.550 -7.293) 7.314 27.296 ( 0.000 0.550 -7.293) 7.314======================= Grid point 588 (171/171) =======================q-point: (-1.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.01e-04 2.01e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.353 ( -3.950 0.000 -0.000) 3.950 1.353 ( 3.950 -0.000 0.000) 3.950 1.661 ( -6.575 0.000 -0.000) 6.575 1.661 ( 6.575 -0.000 0.000) 6.575 1.789 ( -0.291 0.000 -0.000) 0.291 1.789 ( 0.291 -0.000 0.000) 0.291 2.375 ( -0.090 0.000 -0.000) 0.090 2.375 ( 0.090 -0.000 0.000) 0.090 3.289 ( -5.355 0.000 -0.000) 5.355 3.289 ( 5.355 -0.000 0.000) 5.355 3.990 ( -12.971 0.000 -0.000) 12.971 3.990 ( 12.971 -0.000 0.000) 12.971 4.096 ( -1.564 0.000 -0.000) 1.564 4.096 ( 1.564 -0.000 0.000) 1.564 4.239 ( -7.830 0.000 -0.000) 7.830 4.239 ( 7.830 -0.000 0.000) 7.830 4.287 ( -8.272 0.000 -0.000) 8.272 4.287 ( 8.272 -0.000 0.000) 8.272 6.514 ( -3.554 0.000 -0.000) 3.554 6.514 ( 3.554 -0.000 0.000) 3.554 8.183 ( -9.186 0.000 -0.000) 9.186 8.183 ( 9.186 -0.000 0.000) 9.186 9.631 ( -8.032 0.000 -0.000) 8.032 9.631 ( 8.032 -0.000 0.000) 8.032 10.639 ( -7.281 0.000 -0.000) 7.281 10.639 ( 7.281 -0.000 0.000) 7.281 13.124 ( -7.898 0.000 -0.000) 7.898 13.124 ( 7.898 -0.000 0.000) 7.898 13.269 ( -5.187 0.000 -0.000) 5.187 13.269 ( 5.187 -0.000 0.000) 5.187 13.915 ( -3.267 0.000 -0.000) 3.267 13.915 ( 3.267 -0.000 0.000) 3.267 17.282 ( -2.828 0.000 -0.000) 2.828 17.282 ( 2.828 -0.000 0.000) 2.828 25.300 ( -0.607 0.000 -0.000) 0.607 25.300 ( 0.607 -0.000 0.000) 0.607 25.960 ( -12.412 0.000 -0.000) 12.412 25.960 ( 12.412 -0.000 0.000) 12.412 26.116 ( -20.303 0.000 -0.000) 20.303 26.116 ( 20.303 -0.000 0.000) 20.303 27.227 ( -7.385 0.000 -0.000) 7.385 27.227 ( 7.385 -0.000 0.000) 7.385=================== 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 3/42000 10.0 218.153 179.742 256.406 0.000 -0.000 -0.000 3/42000 20.0 54.501 33.468 104.580 0.000 -0.000 -0.000 3/42000 30.0 30.484 16.411 67.283 0.000 -0.000 -0.000 3/42000 40.0 20.468 10.257 47.886 0.000 -0.000 -0.000 3/42000 50.0 15.118 7.252 36.440 0.000 -0.000 -0.000 3/42000 60.0 11.907 5.552 29.189 0.000 -0.000 -0.000 3/42000 70.0 9.806 4.486 24.281 0.000 -0.000 -0.000 3/42000 80.0 8.336 3.765 20.772 0.000 -0.000 -0.000 3/42000 90.0 7.254 3.248 18.151 0.000 -0.000 -0.000 3/42000 100.0 6.426 2.861 16.124 0.000 -0.000 -0.000 3/42000 110.0 5.772 2.561 14.511 0.000 -0.000 -0.000 3/42000 120.0 5.242 2.321 13.199 0.000 -0.000 -0.000 3/42000 130.0 4.805 2.125 12.111 0.000 -0.000 -0.000 3/42000 140.0 4.437 1.962 11.194 0.000 -0.000 -0.000 3/42000 150.0 4.124 1.824 10.410 0.000 -0.000 -0.000 3/42000 160.0 3.853 1.705 9.731 0.000 -0.000 -0.000 3/42000 170.0 3.617 1.602 9.139 0.000 -0.000 -0.000 3/42000 180.0 3.410 1.511 8.616 0.000 -0.000 -0.000 3/42000 190.0 3.226 1.431 8.152 0.000 -0.000 -0.000 3/42000 200.0 3.061 1.360 7.737 0.000 -0.000 -0.000 3/42000 210.0 2.913 1.295 7.363 0.000 -0.000 -0.000 3/42000 220.0 2.780 1.237 7.024 0.000 -0.000 -0.000 3/42000 230.0 2.659 1.184 6.716 0.000 -0.000 -0.000 3/42000 240.0 2.548 1.136 6.434 0.000 -0.000 -0.000 3/42000 250.0 2.446 1.091 6.176 0.000 -0.000 -0.000 3/42000 260.0 2.353 1.050 5.938 0.000 -0.000 -0.000 3/42000 270.0 2.267 1.013 5.718 0.000 -0.000 -0.000 3/42000 280.0 2.187 0.978 5.514 0.000 -0.000 -0.000 3/42000 290.0 2.112 0.945 5.325 0.000 -0.000 -0.000 3/42000 300.0 2.043 0.914 5.148 0.000 -0.000 -0.000 3/42000 310.0 1.979 0.886 4.983 0.000 -0.000 -0.000 3/42000 320.0 1.918 0.859 4.828 0.000 -0.000 -0.000 3/42000 330.0 1.861 0.834 4.683 0.000 -0.000 -0.000 3/42000 340.0 1.808 0.810 4.546 0.000 -0.000 -0.000 3/42000 350.0 1.757 0.788 4.418 0.000 -0.000 -0.000 3/42000 360.0 1.710 0.767 4.296 0.000 -0.000 -0.000 3/42000 370.0 1.665 0.747 4.181 0.000 -0.000 -0.000 3/42000 380.0 1.622 0.728 4.072 0.000 -0.000 -0.000 3/42000 390.0 1.582 0.710 3.969 0.000 -0.000 -0.000 3/42000 400.0 1.543 0.693 3.871 0.000 -0.000 -0.000 3/42000 410.0 1.506 0.676 3.777 0.000 -0.000 -0.000 3/42000 420.0 1.472 0.661 3.688 0.000 -0.000 -0.000 3/42000 430.0 1.438 0.646 3.603 0.000 -0.000 -0.000 3/42000 440.0 1.407 0.632 3.522 0.000 -0.000 -0.000 3/42000 450.0 1.376 0.618 3.445 0.000 -0.000 -0.000 3/42000 460.0 1.347 0.605 3.371 0.000 -0.000 -0.000 3/42000 470.0 1.319 0.593 3.300 0.000 -0.000 -0.000 3/42000 480.0 1.292 0.581 3.232 0.000 -0.000 -0.000 3/42000 490.0 1.267 0.569 3.167 0.000 -0.000 -0.000 3/42000 500.0 1.242 0.558 3.104 0.000 -0.000 -0.000 3/42000 510.0 1.218 0.548 3.044 0.000 -0.000 -0.000 3/42000 520.0 1.196 0.537 2.986 0.000 -0.000 -0.000 3/42000 530.0 1.174 0.528 2.930 0.000 -0.000 -0.000 3/42000 540.0 1.152 0.518 2.877 0.000 -0.000 -0.000 3/42000 550.0 1.132 0.509 2.825 0.000 -0.000 -0.000 3/42000 560.0 1.112 0.500 2.775 0.000 -0.000 -0.000 3/42000 570.0 1.093 0.492 2.727 0.000 -0.000 -0.000 3/42000 580.0 1.075 0.483 2.680 0.000 -0.000 -0.000 3/42000 590.0 1.057 0.475 2.636 0.000 -0.000 -0.000 3/42000 600.0 1.040 0.468 2.592 0.000 -0.000 -0.000 3/42000 610.0 1.023 0.460 2.550 0.000 -0.000 -0.000 3/42000 620.0 1.007 0.453 2.509 0.000 -0.000 -0.000 3/42000 630.0 0.991 0.446 2.470 0.000 -0.000 -0.000 3/42000 640.0 0.976 0.439 2.432 0.000 -0.000 -0.000 3/42000 650.0 0.962 0.432 2.395 0.000 -0.000 -0.000 3/42000 660.0 0.947 0.426 2.359 0.000 -0.000 -0.000 3/42000 670.0 0.934 0.420 2.324 0.000 -0.000 -0.000 3/42000 680.0 0.920 0.414 2.290 0.000 -0.000 -0.000 3/42000 690.0 0.907 0.408 2.257 0.000 -0.000 -0.000 3/42000 700.0 0.894 0.402 2.225 0.000 -0.000 -0.000 3/42000 710.0 0.882 0.397 2.194 0.000 -0.000 -0.000 3/42000 720.0 0.870 0.391 2.164 0.000 -0.000 -0.000 3/42000 730.0 0.858 0.386 2.134 0.000 -0.000 -0.000 3/42000 740.0 0.847 0.381 2.106 0.000 -0.000 -0.000 3/42000 750.0 0.836 0.376 2.078 0.000 -0.000 -0.000 3/42000 760.0 0.825 0.371 2.051 0.000 -0.000 -0.000 3/42000 770.0 0.814 0.366 2.024 0.000 -0.000 -0.000 3/42000 780.0 0.804 0.362 1.999 0.000 -0.000 -0.000 3/42000 790.0 0.794 0.357 1.974 0.000 0.000 -0.000 3/42000 800.0 0.784 0.353 1.949 0.000 0.000 -0.000 3/42000 810.0 0.775 0.349 1.925 0.000 0.000 -0.000 3/42000 820.0 0.766 0.344 1.902 0.000 0.000 -0.000 3/42000 830.0 0.757 0.340 1.879 0.000 0.000 -0.000 3/42000 840.0 0.748 0.336 1.857 0.000 0.000 -0.000 3/42000 850.0 0.739 0.332 1.835 0.000 0.000 -0.000 3/42000 860.0 0.731 0.329 1.814 0.000 0.000 -0.000 3/42000 870.0 0.722 0.325 1.793 0.000 0.000 -0.000 3/42000 880.0 0.714 0.321 1.773 0.000 0.000 -0.000 3/42000 890.0 0.706 0.318 1.753 0.000 0.000 -0.000 3/42000 900.0 0.699 0.314 1.734 0.000 0.000 -0.000 3/42000 910.0 0.691 0.311 1.715 0.000 0.000 -0.000 3/42000 920.0 0.684 0.308 1.697 0.000 0.000 -0.000 3/42000 930.0 0.676 0.304 1.679 0.000 0.000 -0.000 3/42000 940.0 0.669 0.301 1.661 0.000 0.000 -0.000 3/42000 950.0 0.662 0.298 1.643 0.000 0.000 -0.000 3/42000 960.0 0.656 0.295 1.626 0.000 0.000 -0.000 3/42000 970.0 0.649 0.292 1.610 0.000 0.000 -0.000 3/42000 980.0 0.642 0.289 1.593 0.000 0.000 -0.000 3/42000 990.0 0.636 0.286 1.577 0.000 0.000 -0.000 3/42000 1000.0 0.630 0.283 1.562 0.000 0.000 -0.000 3/42000Thermal conductivity related properties were written into "kappa-m101010.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 03:46:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|