----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:10:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.282929800000000 -4.446830430000000 0.000000000000000 b 3.282929800000000 4.446830430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.804019279999999 Atomic positions (fractional): *1 O 0.05514775442055 0.94485224557945 0.25000000000000 15.999 2 O 0.94485224557945 0.05514775442055 0.75000000000000 15.999 *3 O 0.89579374987986 0.10420625012014 0.42501891810287 15.999 4 O 0.10420625012014 0.89579374987986 0.92501891810287 15.999 5 O 0.10420625012014 0.89579374987986 0.57498108189713 15.999 6 O 0.89579374987986 0.10420625012014 0.07498108189713 15.999 *7 O 0.66184196241537 0.33815803758463 0.61833173472018 15.999 8 O 0.33815803758463 0.66184196241537 0.11833173472018 15.999 *9 O 0.19072283103191 0.42023293874491 0.90063537163599 15.999 10 O 0.80927716896809 0.57976706125509 0.40063537163599 15.999 11 O 0.42023293874491 0.19072283103191 0.09936462836401 15.999 12 O 0.57976706125509 0.80927716896809 0.59936462836401 15.999 13 O 0.80927716896809 0.57976706125509 0.09936462836401 15.999 14 O 0.19072283103191 0.42023293874491 0.59936462836401 15.999 15 O 0.57976706125509 0.80927716896809 0.90063537163599 15.999 16 O 0.42023293874491 0.19072283103191 0.40063537163599 15.999 17 O 0.66184196241537 0.33815803758463 0.88166826527982 15.999 18 O 0.33815803758463 0.66184196241537 0.38166826527982 15.999 *19 Sb 0.87740836859180 0.12259163140820 0.59166744332948 121.760 20 Sb 0.12259163140820 0.87740836859180 0.09166744332948 121.760 21 Sb 0.12259163140820 0.87740836859180 0.40833255667052 121.760 22 Sb 0.87740836859180 0.12259163140820 0.90833255667052 121.760 *23 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 24 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 *25 La 0.24373816436845 0.75626183563155 0.75000000000000 138.905 26 La 0.75626183563155 0.24373816436845 0.25000000000000 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.565859600000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.893660860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.804019279999999 Atomic positions (fractional): *1 O 0.50000000000000 0.44485224557945 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.55514775442055 0.75000000000000 15.999 > 2 *3 O 0.50000000000000 0.60420625012014 0.42501891810287 15.999 > 3 4 O 0.50000000000000 0.39579374987986 0.92501891810287 15.999 > 4 5 O 0.50000000000000 0.39579374987986 0.57498108189713 15.999 > 5 6 O 0.50000000000000 0.60420625012014 0.07498108189713 15.999 > 6 *7 O 0.50000000000000 0.83815803758463 0.61833173472018 15.999 > 7 8 O 0.50000000000000 0.16184196241537 0.11833173472018 15.999 > 8 *9 O 0.30547788488841 0.11475505385650 0.90063537163599 15.999 > 9 10 O 0.69452211511159 0.88524494614350 0.40063537163599 15.999 > 10 11 O 0.30547788488841 0.88524494614350 0.09936462836401 15.999 > 11 12 O 0.69452211511159 0.11475505385650 0.59936462836401 15.999 > 12 13 O 0.69452211511159 0.88524494614350 0.09936462836401 15.999 > 13 14 O 0.30547788488841 0.11475505385650 0.59936462836401 15.999 > 14 15 O 0.69452211511159 0.11475505385650 0.90063537163599 15.999 > 15 16 O 0.30547788488841 0.88524494614350 0.40063537163599 15.999 > 16 17 O 0.50000000000000 0.83815803758463 0.88166826527982 15.999 > 17 18 O 0.50000000000000 0.16184196241537 0.38166826527982 15.999 > 18 19 O 0.00000000000000 0.94485224557945 0.25000000000000 15.999 > 1 20 O 0.00000000000000 0.05514775442055 0.75000000000000 15.999 > 2 21 O 0.00000000000000 0.10420625012014 0.42501891810287 15.999 > 3 22 O 0.00000000000000 0.89579374987986 0.92501891810287 15.999 > 4 23 O 0.00000000000000 0.89579374987986 0.57498108189713 15.999 > 5 24 O 0.00000000000000 0.10420625012014 0.07498108189713 15.999 > 6 25 O 0.00000000000000 0.33815803758463 0.61833173472018 15.999 > 7 26 O 0.00000000000000 0.66184196241537 0.11833173472018 15.999 > 8 27 O 0.80547788488841 0.61475505385650 0.90063537163599 15.999 > 9 28 O 0.19452211511159 0.38524494614350 0.40063537163599 15.999 > 10 29 O 0.80547788488841 0.38524494614350 0.09936462836401 15.999 > 11 30 O 0.19452211511159 0.61475505385650 0.59936462836401 15.999 > 12 31 O 0.19452211511159 0.38524494614350 0.09936462836401 15.999 > 13 32 O 0.80547788488841 0.61475505385650 0.59936462836401 15.999 > 14 33 O 0.19452211511159 0.61475505385650 0.90063537163599 15.999 > 15 34 O 0.80547788488841 0.38524494614350 0.40063537163599 15.999 > 16 35 O 0.00000000000000 0.33815803758463 0.88166826527982 15.999 > 17 36 O 0.00000000000000 0.66184196241537 0.38166826527982 15.999 > 18 *37 Sb 0.50000000000000 0.62259163140820 0.59166744332948 121.760 > 19 38 Sb 0.50000000000000 0.37740836859180 0.09166744332948 121.760 > 20 39 Sb 0.50000000000000 0.37740836859180 0.40833255667052 121.760 > 21 40 Sb 0.50000000000000 0.62259163140820 0.90833255667052 121.760 > 22 *41 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 23 42 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 24 43 Sb 0.00000000000000 0.12259163140820 0.59166744332948 121.760 > 19 44 Sb 0.00000000000000 0.87740836859180 0.09166744332948 121.760 > 20 45 Sb 0.00000000000000 0.87740836859180 0.40833255667052 121.760 > 21 46 Sb 0.00000000000000 0.12259163140820 0.90833255667052 121.760 > 22 47 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 23 48 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 24 *49 La 0.50000000000000 0.25626183563155 0.75000000000000 138.905 > 25 50 La 0.50000000000000 0.74373816436845 0.25000000000000 138.905 > 26 51 La 0.00000000000000 0.75626183563155 0.75000000000000 138.905 > 25 52 La 0.00000000000000 0.24373816436845 0.25000000000000 138.905 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.131719199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.893660860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.804019279999999 Atomic positions (fractional): *1 O 0.25000000000000 0.44485224557945 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.44485224557945 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.55514775442055 0.75000000000000 15.999 > 2 4 O 0.75000000000000 0.55514775442055 0.75000000000000 15.999 > 2 *5 O 0.25000000000000 0.60420625012014 0.42501891810287 15.999 > 3 6 O 0.75000000000000 0.60420625012014 0.42501891810287 15.999 > 3 7 O 0.25000000000000 0.39579374987986 0.92501891810287 15.999 > 4 8 O 0.75000000000000 0.39579374987986 0.92501891810287 15.999 > 4 9 O 0.25000000000000 0.39579374987986 0.57498108189713 15.999 > 5 10 O 0.75000000000000 0.39579374987986 0.57498108189713 15.999 > 5 11 O 0.25000000000000 0.60420625012014 0.07498108189713 15.999 > 6 12 O 0.75000000000000 0.60420625012014 0.07498108189713 15.999 > 6 *13 O 0.25000000000000 0.83815803758463 0.61833173472018 15.999 > 7 14 O 0.75000000000000 0.83815803758463 0.61833173472018 15.999 > 7 15 O 0.25000000000000 0.16184196241537 0.11833173472018 15.999 > 8 16 O 0.75000000000000 0.16184196241537 0.11833173472018 15.999 > 8 *17 O 0.15273894244421 0.11475505385650 0.90063537163599 15.999 > 9 18 O 0.65273894244421 0.11475505385650 0.90063537163599 15.999 > 9 19 O 0.34726105755579 0.88524494614350 0.40063537163599 15.999 > 10 20 O 0.84726105755579 0.88524494614350 0.40063537163599 15.999 > 10 21 O 0.15273894244421 0.88524494614350 0.09936462836401 15.999 > 11 22 O 0.65273894244421 0.88524494614350 0.09936462836401 15.999 > 11 23 O 0.34726105755579 0.11475505385650 0.59936462836401 15.999 > 12 24 O 0.84726105755579 0.11475505385650 0.59936462836401 15.999 > 12 25 O 0.34726105755579 0.88524494614350 0.09936462836401 15.999 > 13 26 O 0.84726105755579 0.88524494614350 0.09936462836401 15.999 > 13 27 O 0.15273894244421 0.11475505385650 0.59936462836401 15.999 > 14 28 O 0.65273894244421 0.11475505385650 0.59936462836401 15.999 > 14 29 O 0.34726105755579 0.11475505385650 0.90063537163599 15.999 > 15 30 O 0.84726105755579 0.11475505385650 0.90063537163599 15.999 > 15 31 O 0.15273894244421 0.88524494614350 0.40063537163599 15.999 > 16 32 O 0.65273894244421 0.88524494614350 0.40063537163599 15.999 > 16 33 O 0.25000000000000 0.83815803758463 0.88166826527982 15.999 > 17 34 O 0.75000000000000 0.83815803758463 0.88166826527982 15.999 > 17 35 O 0.25000000000000 0.16184196241537 0.38166826527982 15.999 > 18 36 O 0.75000000000000 0.16184196241537 0.38166826527982 15.999 > 18 37 O 0.00000000000000 0.94485224557945 0.25000000000000 15.999 > 1 38 O 0.50000000000000 0.94485224557945 0.25000000000000 15.999 > 1 39 O 0.00000000000000 0.05514775442055 0.75000000000000 15.999 > 2 40 O 0.50000000000000 0.05514775442055 0.75000000000000 15.999 > 2 41 O 0.00000000000000 0.10420625012014 0.42501891810287 15.999 > 3 42 O 0.50000000000000 0.10420625012014 0.42501891810287 15.999 > 3 43 O 0.00000000000000 0.89579374987986 0.92501891810287 15.999 > 4 44 O 0.50000000000000 0.89579374987986 0.92501891810287 15.999 > 4 45 O 0.00000000000000 0.89579374987986 0.57498108189713 15.999 > 5 46 O 0.50000000000000 0.89579374987986 0.57498108189713 15.999 > 5 47 O 0.00000000000000 0.10420625012014 0.07498108189713 15.999 > 6 48 O 0.50000000000000 0.10420625012014 0.07498108189713 15.999 > 6 49 O 0.00000000000000 0.33815803758463 0.61833173472018 15.999 > 7 50 O 0.50000000000000 0.33815803758463 0.61833173472018 15.999 > 7 51 O 0.00000000000000 0.66184196241537 0.11833173472018 15.999 > 8 52 O 0.50000000000000 0.66184196241537 0.11833173472018 15.999 > 8 53 O 0.40273894244421 0.61475505385650 0.90063537163599 15.999 > 9 54 O 0.90273894244421 0.61475505385650 0.90063537163599 15.999 > 9 55 O 0.09726105755579 0.38524494614350 0.40063537163599 15.999 > 10 56 O 0.59726105755579 0.38524494614350 0.40063537163599 15.999 > 10 57 O 0.40273894244421 0.38524494614350 0.09936462836401 15.999 > 11 58 O 0.90273894244421 0.38524494614350 0.09936462836401 15.999 > 11 59 O 0.09726105755579 0.61475505385650 0.59936462836401 15.999 > 12 60 O 0.59726105755579 0.61475505385650 0.59936462836401 15.999 > 12 61 O 0.09726105755579 0.38524494614350 0.09936462836401 15.999 > 13 62 O 0.59726105755579 0.38524494614350 0.09936462836401 15.999 > 13 63 O 0.40273894244421 0.61475505385650 0.59936462836401 15.999 > 14 64 O 0.90273894244421 0.61475505385650 0.59936462836401 15.999 > 14 65 O 0.09726105755579 0.61475505385650 0.90063537163599 15.999 > 15 66 O 0.59726105755579 0.61475505385650 0.90063537163599 15.999 > 15 67 O 0.40273894244421 0.38524494614350 0.40063537163599 15.999 > 16 68 O 0.90273894244421 0.38524494614350 0.40063537163599 15.999 > 16 69 O 0.00000000000000 0.33815803758463 0.88166826527982 15.999 > 17 70 O 0.50000000000000 0.33815803758463 0.88166826527982 15.999 > 17 71 O 0.00000000000000 0.66184196241537 0.38166826527982 15.999 > 18 72 O 0.50000000000000 0.66184196241537 0.38166826527982 15.999 > 18 *73 Sb 0.25000000000000 0.62259163140820 0.59166744332948 121.760 > 19 74 Sb 0.75000000000000 0.62259163140820 0.59166744332948 121.760 > 19 75 Sb 0.25000000000000 0.37740836859180 0.09166744332948 121.760 > 20 76 Sb 0.75000000000000 0.37740836859180 0.09166744332948 121.760 > 20 77 Sb 0.25000000000000 0.37740836859180 0.40833255667052 121.760 > 21 78 Sb 0.75000000000000 0.37740836859180 0.40833255667052 121.760 > 21 79 Sb 0.25000000000000 0.62259163140820 0.90833255667052 121.760 > 22 80 Sb 0.75000000000000 0.62259163140820 0.90833255667052 121.760 > 22 *81 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 23 82 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 23 83 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 24 84 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 24 85 Sb 0.00000000000000 0.12259163140820 0.59166744332948 121.760 > 19 86 Sb 0.50000000000000 0.12259163140820 0.59166744332948 121.760 > 19 87 Sb 0.00000000000000 0.87740836859180 0.09166744332948 121.760 > 20 88 Sb 0.50000000000000 0.87740836859180 0.09166744332948 121.760 > 20 89 Sb 0.00000000000000 0.87740836859180 0.40833255667052 121.760 > 21 90 Sb 0.50000000000000 0.87740836859180 0.40833255667052 121.760 > 21 91 Sb 0.00000000000000 0.12259163140820 0.90833255667052 121.760 > 22 92 Sb 0.50000000000000 0.12259163140820 0.90833255667052 121.760 > 22 93 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 23 94 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 23 95 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 24 96 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 24 *97 La 0.25000000000000 0.25626183563155 0.75000000000000 138.905 > 25 98 La 0.75000000000000 0.25626183563155 0.75000000000000 138.905 > 25 99 La 0.25000000000000 0.74373816436845 0.25000000000000 138.905 > 26 100 La 0.75000000000000 0.74373816436845 0.25000000000000 138.905 > 26 101 La 0.00000000000000 0.75626183563155 0.75000000000000 138.905 > 25 102 La 0.50000000000000 0.75626183563155 0.75000000000000 138.905 > 25 103 La 0.00000000000000 0.24373816436845 0.25000000000000 138.905 > 26 104 La 0.50000000000000 0.24373816436845 0.25000000000000 138.905 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1802809 0.0000000 0.0000000 0.0000000 4.4000264 0.0000000 0.0000000 0.0000000 4.4017141 -------------------------- Born effective charges -------------------------- 1 O -1.3677183 0.0000000 0.0000000 0.0000000 -1.9805674 0.0000000 0.0000000 0.0000000 -3.2878420 2 O -1.3677183 0.0000000 0.0000000 0.0000000 -1.9805674 0.0000000 0.0000000 0.0000000 -3.2878420 3 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 0.3486669 0.0000000 0.1665612 -2.8216925 4 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 -0.3486669 0.0000000 -0.1665612 -2.8216925 5 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 0.3486669 0.0000000 0.1665612 -2.8216925 6 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 -0.3486669 0.0000000 -0.1665612 -2.8216925 7 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 0.6216519 0.0000000 0.5557934 -1.5622987 8 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 -0.6216519 0.0000000 -0.5557934 -1.5622987 9 O -2.8810369 0.2313315 -0.1150466 0.0354783 -1.7122923 0.4910705 -0.0176653 0.5458313 -1.8916134 10 O -2.8810369 0.2313315 0.1150466 0.0354783 -1.7122923 -0.4910705 0.0176653 -0.5458313 -1.8916134 11 O -2.8810369 -0.2313315 0.1150466 -0.0354783 -1.7122923 0.4910705 0.0176653 0.5458313 -1.8916134 12 O -2.8810369 -0.2313315 -0.1150466 -0.0354783 -1.7122923 -0.4910705 -0.0176653 -0.5458313 -1.8916134 13 O -2.8810369 0.2313315 -0.1150466 0.0354783 -1.7122923 0.4910705 -0.0176653 0.5458313 -1.8916134 14 O -2.8810369 0.2313315 0.1150466 0.0354783 -1.7122923 -0.4910705 0.0176653 -0.5458313 -1.8916134 15 O -2.8810369 -0.2313315 0.1150466 -0.0354783 -1.7122923 0.4910705 0.0176653 0.5458313 -1.8916134 16 O -2.8810369 -0.2313315 -0.1150466 -0.0354783 -1.7122923 -0.4910705 -0.0176653 -0.5458313 -1.8916134 17 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 -0.6216519 0.0000000 -0.5557934 -1.5622987 18 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 0.6216519 0.0000000 0.5557934 -1.5622987 19 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 0.1756815 0.0000000 -0.4900508 4.7745414 20 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 -0.1756815 0.0000000 0.4900508 4.7745414 21 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 0.1756815 0.0000000 -0.4900508 4.7745414 22 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 -0.1756815 0.0000000 0.4900508 4.7745414 23 Sb 4.7820206 0.0000000 0.0000000 0.0000000 5.6555193 -0.7909759 0.0000000 0.5724174 4.1702811 24 Sb 4.7820206 0.0000000 0.0000000 0.0000000 5.6555193 0.7909759 0.0000000 -0.5724174 4.1702811 25 La 3.0722397 0.0000000 0.0000000 0.0000000 4.3197003 0.0000000 0.0000000 0.0000000 5.9029142 26 La 3.0722397 0.0000000 0.0000000 0.0000000 4.3197003 0.0000000 0.0000000 0.0000000 5.9029142 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 15522/15522 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1690 Number of blocks in projector: 1690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 252 Use standard eigh solver. Tree of FC basis block matrices: - (1690, 1655), data: False |-- (252, 250), data: True |-- (256, 249), data: True |-- (256, 249), data: True |-- (256, 249), data: True |-- (260, 258), data: True |-- (410, 400), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 400 - Time: 2.419 Solver_block: 200 / 400 - Time: 2.369 Solver_block: 300 / 400 - Time: 2.387 Solver_block: 400 / 400 - Time: 2.414 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.669 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 15522/15522 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1690 Number of blocks in projector: 1690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 410 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 252 Use standard eigh solver. Tree of FC basis block matrices: - (1690, 1655), data: False |-- (252, 250), data: True |-- (256, 249), data: True |-- (256, 249), data: True |-- (256, 249), data: True |-- (260, 258), data: True |-- (410, 400), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:10:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:10:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.282929800000000 -4.446830430000000 0.000000000000000 b 3.282929800000000 4.446830430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.804019279999999 Atomic positions (fractional): 1 O 0.05514775442055 0.94485224557945 0.25000000000000 15.999 2 O 0.94485224557945 0.05514775442055 0.75000000000000 15.999 3 O 0.89579374987986 0.10420625012014 0.42501891810287 15.999 4 O 0.10420625012014 0.89579374987986 0.92501891810287 15.999 5 O 0.10420625012014 0.89579374987986 0.57498108189713 15.999 6 O 0.89579374987986 0.10420625012014 0.07498108189713 15.999 7 O 0.66184196241537 0.33815803758463 0.61833173472018 15.999 8 O 0.33815803758463 0.66184196241537 0.11833173472018 15.999 9 O 0.19072283103191 0.42023293874491 0.90063537163599 15.999 10 O 0.80927716896809 0.57976706125509 0.40063537163599 15.999 11 O 0.42023293874491 0.19072283103191 0.09936462836401 15.999 12 O 0.57976706125509 0.80927716896809 0.59936462836401 15.999 13 O 0.80927716896809 0.57976706125509 0.09936462836401 15.999 14 O 0.19072283103191 0.42023293874491 0.59936462836401 15.999 15 O 0.57976706125509 0.80927716896809 0.90063537163599 15.999 16 O 0.42023293874491 0.19072283103191 0.40063537163599 15.999 17 O 0.66184196241537 0.33815803758463 0.88166826527982 15.999 18 O 0.33815803758463 0.66184196241537 0.38166826527982 15.999 19 Sb 0.87740836859180 0.12259163140820 0.59166744332948 121.760 20 Sb 0.12259163140820 0.87740836859180 0.09166744332948 121.760 21 Sb 0.12259163140820 0.87740836859180 0.40833255667052 121.760 22 Sb 0.87740836859180 0.12259163140820 0.90833255667052 121.760 23 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 24 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 25 La 0.24373816436845 0.75626183563155 0.75000000000000 138.905 26 La 0.75626183563155 0.24373816436845 0.25000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.131719199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.893660860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.804019279999999 Atomic positions (fractional): 1 O 0.25000000000000 0.44485224557945 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.44485224557945 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.55514775442055 0.75000000000000 15.999 > 3 4 O 0.75000000000000 0.55514775442055 0.75000000000000 15.999 > 3 5 O 0.25000000000000 0.60420625012014 0.42501891810287 15.999 > 5 6 O 0.75000000000000 0.60420625012014 0.42501891810287 15.999 > 5 7 O 0.25000000000000 0.39579374987986 0.92501891810287 15.999 > 7 8 O 0.75000000000000 0.39579374987986 0.92501891810287 15.999 > 7 9 O 0.25000000000000 0.39579374987986 0.57498108189713 15.999 > 9 10 O 0.75000000000000 0.39579374987986 0.57498108189713 15.999 > 9 11 O 0.25000000000000 0.60420625012014 0.07498108189713 15.999 > 11 12 O 0.75000000000000 0.60420625012014 0.07498108189713 15.999 > 11 13 O 0.25000000000000 0.83815803758463 0.61833173472018 15.999 > 13 14 O 0.75000000000000 0.83815803758463 0.61833173472018 15.999 > 13 15 O 0.25000000000000 0.16184196241537 0.11833173472018 15.999 > 15 16 O 0.75000000000000 0.16184196241537 0.11833173472018 15.999 > 15 17 O 0.15273894244421 0.11475505385650 0.90063537163599 15.999 > 17 18 O 0.65273894244421 0.11475505385650 0.90063537163599 15.999 > 17 19 O 0.34726105755579 0.88524494614350 0.40063537163599 15.999 > 19 20 O 0.84726105755579 0.88524494614350 0.40063537163599 15.999 > 19 21 O 0.15273894244421 0.88524494614350 0.09936462836401 15.999 > 21 22 O 0.65273894244421 0.88524494614350 0.09936462836401 15.999 > 21 23 O 0.34726105755579 0.11475505385650 0.59936462836401 15.999 > 23 24 O 0.84726105755579 0.11475505385650 0.59936462836401 15.999 > 23 25 O 0.34726105755579 0.88524494614350 0.09936462836401 15.999 > 25 26 O 0.84726105755579 0.88524494614350 0.09936462836401 15.999 > 25 27 O 0.15273894244421 0.11475505385650 0.59936462836401 15.999 > 27 28 O 0.65273894244421 0.11475505385650 0.59936462836401 15.999 > 27 29 O 0.34726105755579 0.11475505385650 0.90063537163599 15.999 > 29 30 O 0.84726105755579 0.11475505385650 0.90063537163599 15.999 > 29 31 O 0.15273894244421 0.88524494614350 0.40063537163599 15.999 > 31 32 O 0.65273894244421 0.88524494614350 0.40063537163599 15.999 > 31 33 O 0.25000000000000 0.83815803758463 0.88166826527982 15.999 > 33 34 O 0.75000000000000 0.83815803758463 0.88166826527982 15.999 > 33 35 O 0.25000000000000 0.16184196241537 0.38166826527982 15.999 > 35 36 O 0.75000000000000 0.16184196241537 0.38166826527982 15.999 > 35 37 O 0.00000000000000 0.94485224557945 0.25000000000000 15.999 > 1 38 O 0.50000000000000 0.94485224557945 0.25000000000000 15.999 > 1 39 O 0.00000000000000 0.05514775442055 0.75000000000000 15.999 > 3 40 O 0.50000000000000 0.05514775442055 0.75000000000000 15.999 > 3 41 O 0.00000000000000 0.10420625012014 0.42501891810287 15.999 > 5 42 O 0.50000000000000 0.10420625012014 0.42501891810287 15.999 > 5 43 O 0.00000000000000 0.89579374987986 0.92501891810287 15.999 > 7 44 O 0.50000000000000 0.89579374987986 0.92501891810287 15.999 > 7 45 O 0.00000000000000 0.89579374987986 0.57498108189713 15.999 > 9 46 O 0.50000000000000 0.89579374987986 0.57498108189713 15.999 > 9 47 O 0.00000000000000 0.10420625012014 0.07498108189713 15.999 > 11 48 O 0.50000000000000 0.10420625012014 0.07498108189713 15.999 > 11 49 O 0.00000000000000 0.33815803758463 0.61833173472018 15.999 > 13 50 O 0.50000000000000 0.33815803758463 0.61833173472018 15.999 > 13 51 O 0.00000000000000 0.66184196241537 0.11833173472018 15.999 > 15 52 O 0.50000000000000 0.66184196241537 0.11833173472018 15.999 > 15 53 O 0.40273894244421 0.61475505385650 0.90063537163599 15.999 > 17 54 O 0.90273894244421 0.61475505385650 0.90063537163599 15.999 > 17 55 O 0.09726105755579 0.38524494614350 0.40063537163599 15.999 > 19 56 O 0.59726105755579 0.38524494614350 0.40063537163599 15.999 > 19 57 O 0.40273894244421 0.38524494614350 0.09936462836401 15.999 > 21 58 O 0.90273894244421 0.38524494614350 0.09936462836401 15.999 > 21 59 O 0.09726105755579 0.61475505385650 0.59936462836401 15.999 > 23 60 O 0.59726105755579 0.61475505385650 0.59936462836401 15.999 > 23 61 O 0.09726105755579 0.38524494614350 0.09936462836401 15.999 > 25 62 O 0.59726105755579 0.38524494614350 0.09936462836401 15.999 > 25 63 O 0.40273894244421 0.61475505385650 0.59936462836401 15.999 > 27 64 O 0.90273894244421 0.61475505385650 0.59936462836401 15.999 > 27 65 O 0.09726105755579 0.61475505385650 0.90063537163599 15.999 > 29 66 O 0.59726105755579 0.61475505385650 0.90063537163599 15.999 > 29 67 O 0.40273894244421 0.38524494614350 0.40063537163599 15.999 > 31 68 O 0.90273894244421 0.38524494614350 0.40063537163599 15.999 > 31 69 O 0.00000000000000 0.33815803758463 0.88166826527982 15.999 > 33 70 O 0.50000000000000 0.33815803758463 0.88166826527982 15.999 > 33 71 O 0.00000000000000 0.66184196241537 0.38166826527982 15.999 > 35 72 O 0.50000000000000 0.66184196241537 0.38166826527982 15.999 > 35 73 Sb 0.25000000000000 0.62259163140820 0.59166744332948 121.760 > 73 74 Sb 0.75000000000000 0.62259163140820 0.59166744332948 121.760 > 73 75 Sb 0.25000000000000 0.37740836859180 0.09166744332948 121.760 > 75 76 Sb 0.75000000000000 0.37740836859180 0.09166744332948 121.760 > 75 77 Sb 0.25000000000000 0.37740836859180 0.40833255667052 121.760 > 77 78 Sb 0.75000000000000 0.37740836859180 0.40833255667052 121.760 > 77 79 Sb 0.25000000000000 0.62259163140820 0.90833255667052 121.760 > 79 80 Sb 0.75000000000000 0.62259163140820 0.90833255667052 121.760 > 79 81 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 81 82 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 81 83 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 83 84 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 83 85 Sb 0.00000000000000 0.12259163140820 0.59166744332948 121.760 > 73 86 Sb 0.50000000000000 0.12259163140820 0.59166744332948 121.760 > 73 87 Sb 0.00000000000000 0.87740836859180 0.09166744332948 121.760 > 75 88 Sb 0.50000000000000 0.87740836859180 0.09166744332948 121.760 > 75 89 Sb 0.00000000000000 0.87740836859180 0.40833255667052 121.760 > 77 90 Sb 0.50000000000000 0.87740836859180 0.40833255667052 121.760 > 77 91 Sb 0.00000000000000 0.12259163140820 0.90833255667052 121.760 > 79 92 Sb 0.50000000000000 0.12259163140820 0.90833255667052 121.760 > 79 93 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 81 94 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 81 95 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 83 96 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 83 97 La 0.25000000000000 0.25626183563155 0.75000000000000 138.905 > 97 98 La 0.75000000000000 0.25626183563155 0.75000000000000 138.905 > 97 99 La 0.25000000000000 0.74373816436845 0.25000000000000 138.905 > 99 100 La 0.75000000000000 0.74373816436845 0.25000000000000 138.905 > 99 101 La 0.00000000000000 0.75626183563155 0.75000000000000 138.905 > 97 102 La 0.50000000000000 0.75626183563155 0.75000000000000 138.905 > 97 103 La 0.00000000000000 0.24373816436845 0.25000000000000 138.905 > 99 104 La 0.50000000000000 0.24373816436845 0.25000000000000 138.905 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1802809 0.0000000 0.0000000 0.0000000 4.4000264 0.0000000 0.0000000 0.0000000 4.4017141 -------------------------- Born effective charges -------------------------- 1 O -1.3677183 0.0000000 0.0000000 0.0000000 -1.9805674 0.0000000 0.0000000 0.0000000 -3.2878420 2 O -1.3677183 0.0000000 0.0000000 0.0000000 -1.9805674 0.0000000 0.0000000 0.0000000 -3.2878420 3 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 0.3486669 0.0000000 0.1665612 -2.8216925 4 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 -0.3486669 0.0000000 -0.1665612 -2.8216925 5 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 0.3486669 0.0000000 0.1665612 -2.8216925 6 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 -0.3486669 0.0000000 -0.1665612 -2.8216925 7 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 0.6216519 0.0000000 0.5557934 -1.5622987 8 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 -0.6216519 0.0000000 -0.5557934 -1.5622987 9 O -2.8810369 0.2313315 -0.1150466 0.0354783 -1.7122923 0.4910705 -0.0176653 0.5458313 -1.8916134 10 O -2.8810369 0.2313315 0.1150466 0.0354783 -1.7122923 -0.4910705 0.0176653 -0.5458313 -1.8916134 11 O -2.8810369 -0.2313315 0.1150466 -0.0354783 -1.7122923 0.4910705 0.0176653 0.5458313 -1.8916134 12 O -2.8810369 -0.2313315 -0.1150466 -0.0354783 -1.7122923 -0.4910705 -0.0176653 -0.5458313 -1.8916134 13 O -2.8810369 0.2313315 -0.1150466 0.0354783 -1.7122923 0.4910705 -0.0176653 0.5458313 -1.8916134 14 O -2.8810369 0.2313315 0.1150466 0.0354783 -1.7122923 -0.4910705 0.0176653 -0.5458313 -1.8916134 15 O -2.8810369 -0.2313315 0.1150466 -0.0354783 -1.7122923 0.4910705 0.0176653 0.5458313 -1.8916134 16 O -2.8810369 -0.2313315 -0.1150466 -0.0354783 -1.7122923 -0.4910705 -0.0176653 -0.5458313 -1.8916134 17 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 -0.6216519 0.0000000 -0.5557934 -1.5622987 18 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 0.6216519 0.0000000 0.5557934 -1.5622987 19 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 0.1756815 0.0000000 -0.4900508 4.7745414 20 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 -0.1756815 0.0000000 0.4900508 4.7745414 21 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 0.1756815 0.0000000 -0.4900508 4.7745414 22 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 -0.1756815 0.0000000 0.4900508 4.7745414 23 Sb 4.7820206 0.0000000 0.0000000 0.0000000 5.6555193 -0.7909759 0.0000000 0.5724174 4.1702811 24 Sb 4.7820206 0.0000000 0.0000000 0.0000000 5.6555193 0.7909759 0.0000000 -0.5724174 4.1702811 25 La 3.0722397 0.0000000 0.0000000 0.0000000 4.3197003 0.0000000 0.0000000 0.0000000 5.9029142 26 La 3.0722397 0.0000000 0.0000000 0.0000000 4.3197003 0.0000000 0.0000000 0.0000000 5.9029142 ---------------------------------------------------------------------------- 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[ 5, 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[ 13, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:11:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:11:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.282929800000000 -4.446830430000000 0.000000000000000 b 3.282929800000000 4.446830430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.804019279999999 Atomic positions (fractional): 1 O 0.05514775442055 0.94485224557945 0.25000000000000 15.999 2 O 0.94485224557945 0.05514775442055 0.75000000000000 15.999 3 O 0.89579374987986 0.10420625012014 0.42501891810287 15.999 4 O 0.10420625012014 0.89579374987986 0.92501891810287 15.999 5 O 0.10420625012014 0.89579374987986 0.57498108189713 15.999 6 O 0.89579374987986 0.10420625012014 0.07498108189713 15.999 7 O 0.66184196241537 0.33815803758463 0.61833173472018 15.999 8 O 0.33815803758463 0.66184196241537 0.11833173472018 15.999 9 O 0.19072283103191 0.42023293874491 0.90063537163599 15.999 10 O 0.80927716896809 0.57976706125509 0.40063537163599 15.999 11 O 0.42023293874491 0.19072283103191 0.09936462836401 15.999 12 O 0.57976706125509 0.80927716896809 0.59936462836401 15.999 13 O 0.80927716896809 0.57976706125509 0.09936462836401 15.999 14 O 0.19072283103191 0.42023293874491 0.59936462836401 15.999 15 O 0.57976706125509 0.80927716896809 0.90063537163599 15.999 16 O 0.42023293874491 0.19072283103191 0.40063537163599 15.999 17 O 0.66184196241537 0.33815803758463 0.88166826527982 15.999 18 O 0.33815803758463 0.66184196241537 0.38166826527982 15.999 19 Sb 0.87740836859180 0.12259163140820 0.59166744332948 121.760 20 Sb 0.12259163140820 0.87740836859180 0.09166744332948 121.760 21 Sb 0.12259163140820 0.87740836859180 0.40833255667052 121.760 22 Sb 0.87740836859180 0.12259163140820 0.90833255667052 121.760 23 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 24 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 25 La 0.24373816436845 0.75626183563155 0.75000000000000 138.905 26 La 0.75626183563155 0.24373816436845 0.25000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.131719199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.893660860000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.804019279999999 Atomic positions (fractional): 1 O 0.25000000000000 0.44485224557945 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.44485224557945 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.55514775442055 0.75000000000000 15.999 > 3 4 O 0.75000000000000 0.55514775442055 0.75000000000000 15.999 > 3 5 O 0.25000000000000 0.60420625012014 0.42501891810287 15.999 > 5 6 O 0.75000000000000 0.60420625012014 0.42501891810287 15.999 > 5 7 O 0.25000000000000 0.39579374987986 0.92501891810287 15.999 > 7 8 O 0.75000000000000 0.39579374987986 0.92501891810287 15.999 > 7 9 O 0.25000000000000 0.39579374987986 0.57498108189713 15.999 > 9 10 O 0.75000000000000 0.39579374987986 0.57498108189713 15.999 > 9 11 O 0.25000000000000 0.60420625012014 0.07498108189713 15.999 > 11 12 O 0.75000000000000 0.60420625012014 0.07498108189713 15.999 > 11 13 O 0.25000000000000 0.83815803758463 0.61833173472018 15.999 > 13 14 O 0.75000000000000 0.83815803758463 0.61833173472018 15.999 > 13 15 O 0.25000000000000 0.16184196241537 0.11833173472018 15.999 > 15 16 O 0.75000000000000 0.16184196241537 0.11833173472018 15.999 > 15 17 O 0.15273894244421 0.11475505385650 0.90063537163599 15.999 > 17 18 O 0.65273894244421 0.11475505385650 0.90063537163599 15.999 > 17 19 O 0.34726105755579 0.88524494614350 0.40063537163599 15.999 > 19 20 O 0.84726105755579 0.88524494614350 0.40063537163599 15.999 > 19 21 O 0.15273894244421 0.88524494614350 0.09936462836401 15.999 > 21 22 O 0.65273894244421 0.88524494614350 0.09936462836401 15.999 > 21 23 O 0.34726105755579 0.11475505385650 0.59936462836401 15.999 > 23 24 O 0.84726105755579 0.11475505385650 0.59936462836401 15.999 > 23 25 O 0.34726105755579 0.88524494614350 0.09936462836401 15.999 > 25 26 O 0.84726105755579 0.88524494614350 0.09936462836401 15.999 > 25 27 O 0.15273894244421 0.11475505385650 0.59936462836401 15.999 > 27 28 O 0.65273894244421 0.11475505385650 0.59936462836401 15.999 > 27 29 O 0.34726105755579 0.11475505385650 0.90063537163599 15.999 > 29 30 O 0.84726105755579 0.11475505385650 0.90063537163599 15.999 > 29 31 O 0.15273894244421 0.88524494614350 0.40063537163599 15.999 > 31 32 O 0.65273894244421 0.88524494614350 0.40063537163599 15.999 > 31 33 O 0.25000000000000 0.83815803758463 0.88166826527982 15.999 > 33 34 O 0.75000000000000 0.83815803758463 0.88166826527982 15.999 > 33 35 O 0.25000000000000 0.16184196241537 0.38166826527982 15.999 > 35 36 O 0.75000000000000 0.16184196241537 0.38166826527982 15.999 > 35 37 O 0.00000000000000 0.94485224557945 0.25000000000000 15.999 > 1 38 O 0.50000000000000 0.94485224557945 0.25000000000000 15.999 > 1 39 O 0.00000000000000 0.05514775442055 0.75000000000000 15.999 > 3 40 O 0.50000000000000 0.05514775442055 0.75000000000000 15.999 > 3 41 O 0.00000000000000 0.10420625012014 0.42501891810287 15.999 > 5 42 O 0.50000000000000 0.10420625012014 0.42501891810287 15.999 > 5 43 O 0.00000000000000 0.89579374987986 0.92501891810287 15.999 > 7 44 O 0.50000000000000 0.89579374987986 0.92501891810287 15.999 > 7 45 O 0.00000000000000 0.89579374987986 0.57498108189713 15.999 > 9 46 O 0.50000000000000 0.89579374987986 0.57498108189713 15.999 > 9 47 O 0.00000000000000 0.10420625012014 0.07498108189713 15.999 > 11 48 O 0.50000000000000 0.10420625012014 0.07498108189713 15.999 > 11 49 O 0.00000000000000 0.33815803758463 0.61833173472018 15.999 > 13 50 O 0.50000000000000 0.33815803758463 0.61833173472018 15.999 > 13 51 O 0.00000000000000 0.66184196241537 0.11833173472018 15.999 > 15 52 O 0.50000000000000 0.66184196241537 0.11833173472018 15.999 > 15 53 O 0.40273894244421 0.61475505385650 0.90063537163599 15.999 > 17 54 O 0.90273894244421 0.61475505385650 0.90063537163599 15.999 > 17 55 O 0.09726105755579 0.38524494614350 0.40063537163599 15.999 > 19 56 O 0.59726105755579 0.38524494614350 0.40063537163599 15.999 > 19 57 O 0.40273894244421 0.38524494614350 0.09936462836401 15.999 > 21 58 O 0.90273894244421 0.38524494614350 0.09936462836401 15.999 > 21 59 O 0.09726105755579 0.61475505385650 0.59936462836401 15.999 > 23 60 O 0.59726105755579 0.61475505385650 0.59936462836401 15.999 > 23 61 O 0.09726105755579 0.38524494614350 0.09936462836401 15.999 > 25 62 O 0.59726105755579 0.38524494614350 0.09936462836401 15.999 > 25 63 O 0.40273894244421 0.61475505385650 0.59936462836401 15.999 > 27 64 O 0.90273894244421 0.61475505385650 0.59936462836401 15.999 > 27 65 O 0.09726105755579 0.61475505385650 0.90063537163599 15.999 > 29 66 O 0.59726105755579 0.61475505385650 0.90063537163599 15.999 > 29 67 O 0.40273894244421 0.38524494614350 0.40063537163599 15.999 > 31 68 O 0.90273894244421 0.38524494614350 0.40063537163599 15.999 > 31 69 O 0.00000000000000 0.33815803758463 0.88166826527982 15.999 > 33 70 O 0.50000000000000 0.33815803758463 0.88166826527982 15.999 > 33 71 O 0.00000000000000 0.66184196241537 0.38166826527982 15.999 > 35 72 O 0.50000000000000 0.66184196241537 0.38166826527982 15.999 > 35 73 Sb 0.25000000000000 0.62259163140820 0.59166744332948 121.760 > 73 74 Sb 0.75000000000000 0.62259163140820 0.59166744332948 121.760 > 73 75 Sb 0.25000000000000 0.37740836859180 0.09166744332948 121.760 > 75 76 Sb 0.75000000000000 0.37740836859180 0.09166744332948 121.760 > 75 77 Sb 0.25000000000000 0.37740836859180 0.40833255667052 121.760 > 77 78 Sb 0.75000000000000 0.37740836859180 0.40833255667052 121.760 > 77 79 Sb 0.25000000000000 0.62259163140820 0.90833255667052 121.760 > 79 80 Sb 0.75000000000000 0.62259163140820 0.90833255667052 121.760 > 79 81 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 81 82 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 81 83 Sb 0.25000000000000 0.00000000000000 0.00000000000000 121.760 > 83 84 Sb 0.75000000000000 0.00000000000000 0.00000000000000 121.760 > 83 85 Sb 0.00000000000000 0.12259163140820 0.59166744332948 121.760 > 73 86 Sb 0.50000000000000 0.12259163140820 0.59166744332948 121.760 > 73 87 Sb 0.00000000000000 0.87740836859180 0.09166744332948 121.760 > 75 88 Sb 0.50000000000000 0.87740836859180 0.09166744332948 121.760 > 75 89 Sb 0.00000000000000 0.87740836859180 0.40833255667052 121.760 > 77 90 Sb 0.50000000000000 0.87740836859180 0.40833255667052 121.760 > 77 91 Sb 0.00000000000000 0.12259163140820 0.90833255667052 121.760 > 79 92 Sb 0.50000000000000 0.12259163140820 0.90833255667052 121.760 > 79 93 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 81 94 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 81 95 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 83 96 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 83 97 La 0.25000000000000 0.25626183563155 0.75000000000000 138.905 > 97 98 La 0.75000000000000 0.25626183563155 0.75000000000000 138.905 > 97 99 La 0.25000000000000 0.74373816436845 0.25000000000000 138.905 > 99 100 La 0.75000000000000 0.74373816436845 0.25000000000000 138.905 > 99 101 La 0.00000000000000 0.75626183563155 0.75000000000000 138.905 > 97 102 La 0.50000000000000 0.75626183563155 0.75000000000000 138.905 > 97 103 La 0.00000000000000 0.24373816436845 0.25000000000000 138.905 > 99 104 La 0.50000000000000 0.24373816436845 0.25000000000000 138.905 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1802809 0.0000000 0.0000000 0.0000000 4.4000264 0.0000000 0.0000000 0.0000000 4.4017141 -------------------------- Born effective charges -------------------------- 1 O -1.3677183 0.0000000 0.0000000 0.0000000 -1.9805674 0.0000000 0.0000000 0.0000000 -3.2878420 2 O -1.3677183 0.0000000 0.0000000 0.0000000 -1.9805674 0.0000000 0.0000000 0.0000000 -3.2878420 3 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 0.3486669 0.0000000 0.1665612 -2.8216925 4 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 -0.3486669 0.0000000 -0.1665612 -2.8216925 5 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 0.3486669 0.0000000 0.1665612 -2.8216925 6 O -1.3666457 0.0000000 0.0000000 0.0000000 -2.2453631 -0.3486669 0.0000000 -0.1665612 -2.8216925 7 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 0.6216519 0.0000000 0.5557934 -1.5622987 8 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 -0.6216519 0.0000000 -0.5557934 -1.5622987 9 O -2.8810369 0.2313315 -0.1150466 0.0354783 -1.7122923 0.4910705 -0.0176653 0.5458313 -1.8916134 10 O -2.8810369 0.2313315 0.1150466 0.0354783 -1.7122923 -0.4910705 0.0176653 -0.5458313 -1.8916134 11 O -2.8810369 -0.2313315 0.1150466 -0.0354783 -1.7122923 0.4910705 0.0176653 0.5458313 -1.8916134 12 O -2.8810369 -0.2313315 -0.1150466 -0.0354783 -1.7122923 -0.4910705 -0.0176653 -0.5458313 -1.8916134 13 O -2.8810369 0.2313315 -0.1150466 0.0354783 -1.7122923 0.4910705 -0.0176653 0.5458313 -1.8916134 14 O -2.8810369 0.2313315 0.1150466 0.0354783 -1.7122923 -0.4910705 0.0176653 -0.5458313 -1.8916134 15 O -2.8810369 -0.2313315 0.1150466 -0.0354783 -1.7122923 0.4910705 0.0176653 0.5458313 -1.8916134 16 O -2.8810369 -0.2313315 -0.1150466 -0.0354783 -1.7122923 -0.4910705 -0.0176653 -0.5458313 -1.8916134 17 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 -0.6216519 0.0000000 -0.5557934 -1.5622987 18 O -1.4095686 0.0000000 0.0000000 0.0000000 -2.8533369 0.6216519 0.0000000 0.5557934 -1.5622987 19 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 0.1756815 0.0000000 -0.4900508 4.7745414 20 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 -0.1756815 0.0000000 0.4900508 4.7745414 21 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 0.1756815 0.0000000 -0.4900508 4.7745414 22 Sb 5.2950171 0.0000000 0.0000000 0.0000000 4.5259585 -0.1756815 0.0000000 0.4900508 4.7745414 23 Sb 4.7820206 0.0000000 0.0000000 0.0000000 5.6555193 -0.7909759 0.0000000 0.5724174 4.1702811 24 Sb 4.7820206 0.0000000 0.0000000 0.0000000 5.6555193 0.7909759 0.0000000 -0.5724174 4.1702811 25 La 3.0722397 0.0000000 0.0000000 0.0000000 4.3197003 0.0000000 0.0000000 0.0000000 5.9029142 26 La 3.0722397 0.0000000 0.0000000 0.0000000 4.3197003 0.0000000 0.0000000 0.0000000 5.9029142 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yyy) 0.00000005 (yyy) 0.00000005 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.678 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 10.475 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 11.054 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 12.676 ( 0.000 0.000 0.000) 0.000 12.874 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.396 ( 0.000 0.000 0.000) 0.000 14.100 ( 0.000 0.000 0.000) 0.000 14.137 ( 0.000 0.000 0.000) 0.000 14.532 ( 0.000 0.000 0.000) 0.000 14.609 ( 0.000 0.000 0.000) 0.000 14.796 ( 0.000 0.000 0.000) 0.000 15.850 ( 0.000 0.000 0.000) 0.000 16.652 ( 0.000 0.000 0.000) 0.000 16.904 ( 0.000 0.000 0.000) 0.000 16.990 ( 0.000 0.000 0.000) 0.000 17.814 ( 0.000 0.000 0.000) 0.000 17.961 ( 0.000 0.000 0.000) 0.000 18.253 ( 0.000 0.000 0.000) 0.000 18.279 ( 0.000 0.000 0.000) 0.000 18.400 ( 0.000 0.000 0.000) 0.000 18.725 ( 0.000 0.000 0.000) 0.000 19.063 ( 0.000 0.000 0.000) 0.000 19.677 ( 0.000 0.000 0.000) 0.000 19.779 ( 0.000 0.000 0.000) 0.000 20.622 ( 0.000 0.000 0.000) 0.000 20.770 ( 0.000 0.000 0.000) 0.000 20.912 ( 0.000 0.000 0.000) 0.000 21.386 ( 0.000 0.000 0.000) 0.000 22.575 ( 0.000 0.000 0.000) 0.000 22.903 ( 0.000 0.000 0.000) 0.000 22.936 ( 0.000 0.000 0.000) 0.000 24.802 ( 0.000 0.000 0.000) 0.000 25.277 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 10.949 -27.062 0.000) 29.193 0.809 ( 18.937 -36.988 0.000) 41.553 1.235 ( 53.522 -18.914 0.000) 56.766 1.732 ( 13.397 -3.564 0.000) 13.863 2.081 ( 35.307 -6.880 0.000) 35.971 2.088 ( 22.218 9.869 0.000) 24.312 2.571 ( 2.844 -16.539 0.000) 16.781 2.801 ( -5.664 2.730 0.000) 6.287 3.045 ( 9.063 4.363 0.000) 10.059 3.310 ( 12.948 -12.011 0.000) 17.661 3.482 ( -0.177 -12.829 0.000) 12.830 4.161 ( 2.393 -0.416 0.000) 2.429 4.394 ( -14.453 -0.230 0.000) 14.455 4.484 ( -9.686 13.054 0.000) 16.256 4.605 ( -4.044 -3.975 0.000) 5.671 4.667 ( -6.039 -1.484 0.000) 6.218 5.081 ( 7.458 -4.245 0.000) 8.581 5.191 ( -14.022 -6.463 0.000) 15.440 5.343 ( 9.739 0.562 0.000) 9.755 5.471 ( 6.641 -4.223 0.000) 7.870 5.719 ( -0.419 -1.835 0.000) 1.883 5.757 ( 8.631 -1.831 0.000) 8.823 6.513 ( 1.717 0.842 0.000) 1.913 6.588 ( 5.361 4.317 0.000) 6.883 6.781 ( -2.269 -4.100 0.000) 4.686 6.893 ( 1.567 3.689 0.000) 4.008 7.155 ( 1.746 7.930 0.000) 8.119 7.445 ( 6.012 6.402 0.000) 8.783 7.448 ( 3.682 4.209 0.000) 5.592 7.588 ( 6.753 4.774 0.000) 8.270 7.711 ( 3.150 -0.371 0.000) 3.171 7.929 ( 25.061 33.862 0.000) 42.126 7.980 ( 7.138 3.972 0.000) 8.168 8.241 ( 4.226 9.362 0.000) 10.271 8.505 ( -13.014 -0.718 0.000) 13.034 8.751 ( 1.476 -17.624 0.000) 17.685 8.815 ( 0.576 2.010 0.000) 2.090 9.115 ( -5.602 -13.437 0.000) 14.558 9.712 ( -6.554 1.689 0.000) 6.768 10.389 ( -3.187 -2.500 0.000) 4.051 10.445 ( -2.739 -2.201 0.000) 3.514 10.879 ( 0.419 -1.045 0.000) 1.126 11.031 ( -1.547 1.683 0.000) 2.286 11.246 ( 9.549 19.394 0.000) 21.618 11.910 ( 2.171 -3.180 0.000) 3.850 12.394 ( -13.153 -1.800 0.000) 13.275 12.551 ( -11.584 -2.527 0.000) 11.857 12.868 ( 10.447 -3.351 0.000) 10.971 12.882 ( 0.083 -2.524 0.000) 2.526 13.382 ( 2.271 4.944 0.000) 5.441 13.581 ( -10.396 -28.094 0.000) 29.956 14.129 ( 0.015 1.047 0.000) 1.047 14.256 ( 6.285 17.138 0.000) 18.254 14.523 ( -2.592 -1.938 0.000) 3.237 14.614 ( 1.090 0.570 0.000) 1.230 15.218 ( -30.012 -44.629 0.000) 53.782 15.846 ( -0.690 -0.372 0.000) 0.783 16.651 ( -1.244 -1.100 0.000) 1.661 16.885 ( -2.567 -0.785 0.000) 2.684 17.020 ( 0.611 -3.756 0.000) 3.805 17.667 ( -13.954 -1.057 0.000) 13.994 17.961 ( -1.432 -2.284 0.000) 2.696 17.989 ( -22.994 -1.214 0.000) 23.026 18.366 ( 8.698 -0.740 0.000) 8.729 19.009 ( 22.849 1.134 0.000) 22.877 19.024 ( -0.976 4.282 0.000) 4.392 19.483 ( 40.181 41.064 0.000) 57.453 19.770 ( 7.198 -4.209 0.000) 8.338 20.374 ( 11.088 19.491 0.000) 22.424 20.740 ( 0.633 5.415 0.000) 5.452 20.946 ( 0.292 -4.674 0.000) 4.683 21.420 ( -0.097 -5.306 0.000) 5.307 22.000 ( -7.450 -2.986 0.000) 8.026 22.597 ( 2.521 -0.013 0.000) 2.521 22.879 ( -3.802 -0.535 0.000) 3.840 23.152 ( -15.588 -19.911 0.000) 25.287 24.785 ( -1.414 0.652 0.000) 1.557 25.248 ( -2.377 1.078 0.000) 2.610 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 16.101 -24.826 0.000) 29.590 1.526 ( 17.312 -26.894 0.000) 31.984 1.898 ( 15.319 1.840 0.000) 15.429 2.186 ( 16.491 -13.408 0.000) 21.254 2.503 ( -0.884 8.237 0.000) 8.284 2.650 ( 34.754 -4.975 0.000) 35.108 2.833 ( 25.868 -12.836 0.000) 28.877 2.952 ( 23.232 -18.490 0.000) 29.692 3.317 ( 17.328 -7.311 0.000) 18.807 3.704 ( 10.499 -7.538 0.000) 12.925 3.714 ( 11.813 -11.545 0.000) 16.517 4.072 ( -13.743 13.669 0.000) 19.383 4.141 ( -14.348 -1.104 0.000) 14.391 4.198 ( 2.343 1.484 0.000) 2.773 4.575 ( -0.965 1.019 0.000) 1.403 4.604 ( -5.416 0.076 0.000) 5.416 5.060 ( -11.562 -11.865 0.000) 16.566 5.302 ( 9.397 -6.385 0.000) 11.361 5.461 ( 2.499 -3.341 0.000) 4.172 5.671 ( 6.923 -3.794 0.000) 7.894 5.763 ( -0.052 -6.684 0.000) 6.684 5.933 ( 8.009 -2.700 0.000) 8.452 6.496 ( -4.718 5.849 0.000) 7.515 6.511 ( -0.094 2.114 0.000) 2.116 6.895 ( 2.613 0.550 0.000) 2.670 6.905 ( 4.858 -6.963 0.000) 8.490 7.078 ( -0.874 5.505 0.000) 5.573 7.409 ( 0.468 8.705 0.000) 8.717 7.442 ( 4.601 8.376 0.000) 9.556 7.623 ( 4.545 4.340 0.000) 6.284 7.822 ( 10.789 3.710 0.000) 11.409 7.921 ( 14.281 21.142 0.000) 25.513 8.077 ( 4.006 -4.039 0.000) 5.688 8.205 ( 6.562 11.194 0.000) 12.976 8.316 ( -12.341 -4.891 0.000) 13.275 8.731 ( -4.260 4.672 0.000) 6.322 8.968 ( -4.054 -13.530 0.000) 14.124 9.205 ( 2.127 -4.562 0.000) 5.033 9.601 ( -3.328 -3.168 0.000) 4.595 10.359 ( -1.974 0.121 0.000) 1.978 10.411 ( -5.217 -3.041 0.000) 6.038 10.896 ( -0.228 0.308 0.000) 0.383 10.964 ( -2.060 2.757 0.000) 3.442 11.150 ( -0.874 6.571 0.000) 6.629 12.002 ( 1.969 -4.063 0.000) 4.515 12.226 ( -9.852 -4.159 0.000) 10.694 12.353 ( -13.509 -1.558 0.000) 13.598 12.946 ( 0.426 -6.700 0.000) 6.714 13.024 ( 2.632 -0.907 0.000) 2.784 13.383 ( 6.267 4.331 0.000) 7.618 13.776 ( 1.885 -12.080 0.000) 12.227 14.093 ( -1.876 12.937 0.000) 13.073 14.125 ( 1.551 1.051 0.000) 1.873 14.490 ( -4.700 -2.547 0.000) 5.345 14.619 ( 1.112 2.703 0.000) 2.923 15.321 ( -10.333 -27.000 0.000) 28.910 15.840 ( -0.850 -0.860 0.000) 1.209 16.622 ( -3.877 -0.475 0.000) 3.906 16.842 ( -3.726 -0.800 0.000) 3.811 17.095 ( 0.938 -5.718 0.000) 5.794 17.452 ( -12.498 -1.912 0.000) 12.643 17.681 ( -16.494 -4.667 0.000) 17.142 17.974 ( -0.263 -1.978 0.000) 1.995 18.491 ( 5.199 0.187 0.000) 5.202 18.938 ( -2.683 4.140 0.000) 4.933 19.350 ( 18.528 1.042 0.000) 18.558 19.679 ( 22.728 14.603 0.000) 27.015 19.978 ( 8.928 -4.884 0.000) 10.176 20.314 ( 8.910 16.066 0.000) 18.371 20.666 ( 0.955 8.029 0.000) 8.086 21.029 ( 1.392 -5.799 0.000) 5.964 21.506 ( 0.480 -7.534 0.000) 7.549 21.866 ( -8.258 3.146 0.000) 8.837 22.656 ( 4.110 -0.111 0.000) 4.111 22.790 ( -8.075 -2.703 0.000) 8.516 23.163 ( -3.060 -6.873 0.000) 7.523 24.743 ( -2.100 0.957 0.000) 2.308 25.180 ( -3.434 1.490 0.000) 3.743 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 18.067 -21.888 0.000) 28.381 1.961 ( 5.334 6.922 0.000) 8.739 2.072 ( 12.381 -8.519 0.000) 15.029 2.268 ( 0.132 4.916 0.000) 4.918 2.568 ( 7.016 -12.229 0.000) 14.099 3.214 ( 4.545 -13.220 0.000) 13.979 3.276 ( 9.362 -14.871 0.000) 17.573 3.551 ( -12.638 12.437 0.000) 17.731 3.700 ( 32.147 -8.051 0.000) 33.140 3.763 ( 4.913 3.673 0.000) 6.134 3.911 ( 26.142 -6.531 0.000) 26.945 4.033 ( 3.392 -0.320 0.000) 3.407 4.152 ( 10.640 -8.932 0.000) 13.892 4.271 ( 5.335 -5.941 0.000) 7.984 4.450 ( -9.981 1.791 0.000) 10.140 4.583 ( 5.575 1.197 0.000) 5.702 5.155 ( 1.854 -15.112 0.000) 15.225 5.515 ( -1.711 -3.966 0.000) 4.319 5.524 ( 6.526 -6.266 0.000) 9.047 5.761 ( 0.371 -3.014 0.000) 3.037 5.816 ( -4.650 -3.386 0.000) 5.752 6.049 ( 3.081 1.941 0.000) 3.642 6.362 ( -3.406 2.356 0.000) 4.142 6.489 ( 0.947 0.621 0.000) 1.132 6.961 ( 3.945 0.230 0.000) 3.951 6.980 ( -1.954 5.605 0.000) 5.936 7.043 ( 2.883 -2.770 0.000) 3.998 7.259 ( -3.157 9.669 0.000) 10.171 7.433 ( 2.121 -0.046 0.000) 2.122 7.634 ( 3.914 5.579 0.000) 6.815 7.883 ( 6.415 12.652 0.000) 14.185 7.937 ( 8.730 5.213 0.000) 10.168 8.182 ( 6.137 9.529 0.000) 11.334 8.186 ( -2.076 -4.724 0.000) 5.161 8.231 ( -3.763 -7.577 0.000) 8.460 8.602 ( -1.958 5.711 0.000) 6.038 8.876 ( -13.891 -1.257 0.000) 13.947 9.285 ( 2.308 -1.876 0.000) 2.974 9.744 ( 7.247 -9.700 0.000) 12.108 10.323 ( -1.321 0.913 0.000) 1.606 10.342 ( -6.806 -2.129 0.000) 7.131 10.806 ( -3.723 5.505 0.000) 6.646 10.957 ( 0.427 -1.360 0.000) 1.425 11.071 ( -2.411 1.413 0.000) 2.794 11.996 ( -5.314 -0.840 0.000) 5.380 12.163 ( -9.935 -0.731 0.000) 9.962 12.242 ( 1.422 -8.176 0.000) 8.299 12.969 ( -3.231 6.345 0.000) 7.120 13.063 ( 1.344 -9.787 0.000) 9.879 13.483 ( 6.075 -1.132 0.000) 6.180 13.756 ( -4.112 13.746 0.000) 14.348 14.066 ( 3.064 -9.166 0.000) 9.665 14.166 ( 4.478 0.684 0.000) 4.530 14.427 ( -6.135 -2.233 0.000) 6.529 14.571 ( -1.306 4.626 0.000) 4.807 15.528 ( -0.427 -19.052 0.000) 19.057 15.842 ( -0.322 -1.099 0.000) 1.145 16.530 ( -5.878 0.946 0.000) 5.954 16.778 ( -3.761 0.806 0.000) 3.847 17.181 ( 0.882 -5.082 0.000) 5.158 17.310 ( -7.223 -2.025 0.000) 7.501 17.550 ( -7.733 -6.001 0.000) 9.788 17.995 ( 0.744 -0.463 0.000) 0.877 18.543 ( 2.149 0.939 0.000) 2.345 18.843 ( -2.943 2.783 0.000) 4.050 19.602 ( 11.601 -0.358 0.000) 11.606 19.842 ( 9.939 4.963 0.000) 11.109 20.152 ( 5.576 -2.369 0.000) 6.058 20.308 ( 11.115 11.096 0.000) 15.705 20.588 ( 1.122 6.703 0.000) 6.796 21.123 ( 2.035 -4.086 0.000) 4.565 21.607 ( 0.849 -6.085 0.000) 6.144 21.658 ( -9.480 4.709 0.000) 10.585 22.704 ( -5.984 -3.109 0.000) 6.743 22.728 ( 3.841 -0.200 0.000) 3.846 23.203 ( 0.345 -2.653 0.000) 2.676 24.697 ( -1.785 0.801 0.000) 1.956 25.108 ( -2.836 1.168 0.000) 3.067 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -1.260 6.267 0.000) 6.393 2.159 ( 12.630 -14.072 0.000) 18.909 2.265 ( 3.122 0.975 0.000) 3.270 2.366 ( 6.013 -3.624 0.000) 7.021 2.754 ( 1.264 -5.792 0.000) 5.928 3.065 ( -10.153 12.078 0.000) 15.778 3.405 ( -2.324 -1.977 0.000) 3.051 3.470 ( 0.263 -5.275 0.000) 5.281 3.757 ( 1.151 -2.762 0.000) 2.992 4.040 ( 1.653 -1.095 0.000) 1.983 4.184 ( 2.269 0.390 0.000) 2.303 4.189 ( 9.204 -2.622 0.000) 9.570 4.292 ( -1.009 2.890 0.000) 3.061 4.415 ( 1.466 -4.018 0.000) 4.277 4.613 ( 16.370 -5.919 0.000) 17.407 4.770 ( 13.799 -1.781 0.000) 13.914 5.431 ( 8.799 -10.829 0.000) 13.953 5.495 ( -3.553 -1.339 0.000) 3.796 5.632 ( -2.236 -2.060 0.000) 3.041 5.687 ( -9.280 0.731 0.000) 9.309 5.789 ( 0.162 -1.088 0.000) 1.100 5.977 ( -1.683 6.117 0.000) 6.344 6.337 ( -0.143 -0.723 0.000) 0.737 6.523 ( 1.598 -0.731 0.000) 1.757 6.860 ( -2.405 3.586 0.000) 4.318 7.025 ( 2.187 0.263 0.000) 2.203 7.067 ( 0.801 1.877 0.000) 2.041 7.117 ( -1.871 4.197 0.000) 4.595 7.522 ( -2.005 -11.589 0.000) 11.761 7.610 ( 4.793 10.389 0.000) 11.442 7.841 ( 1.150 3.577 0.000) 3.758 7.985 ( 2.954 2.403 0.000) 3.808 8.151 ( -3.632 -2.644 0.000) 4.492 8.175 ( 2.651 3.731 0.000) 4.577 8.313 ( 1.488 -2.593 0.000) 2.989 8.539 ( 0.232 2.370 0.000) 2.382 8.674 ( -7.389 0.537 0.000) 7.408 9.327 ( 0.845 -0.525 0.000) 0.995 9.975 ( 6.861 -5.052 0.000) 8.521 10.238 ( -6.130 0.259 0.000) 6.136 10.299 ( -0.412 0.514 0.000) 0.658 10.698 ( -2.046 2.465 0.000) 3.204 10.977 ( 0.274 -0.620 0.000) 0.678 11.033 ( -0.998 0.148 0.000) 1.009 11.928 ( -2.493 -0.234 0.000) 2.504 12.051 ( -3.653 -0.209 0.000) 3.659 12.378 ( 2.354 -5.491 0.000) 5.974 12.825 ( -2.859 5.377 0.000) 6.089 13.240 ( 3.351 -12.151 0.000) 12.604 13.487 ( -5.177 14.201 0.000) 15.115 13.572 ( 2.101 -1.095 0.000) 2.369 14.242 ( 3.456 -7.135 0.000) 7.928 14.248 ( 6.105 1.158 0.000) 6.214 14.344 ( -6.467 -1.810 0.000) 6.716 14.470 ( -2.484 5.030 0.000) 5.610 15.722 ( 1.430 -7.787 0.000) 7.917 15.852 ( 0.074 -0.557 0.000) 0.562 16.437 ( -2.914 0.688 0.000) 2.994 16.708 ( -1.977 1.279 0.000) 2.354 17.239 ( 0.363 -2.043 0.000) 2.075 17.250 ( -2.258 -0.881 0.000) 2.424 17.531 ( -1.981 -2.726 0.000) 3.370 18.007 ( 0.439 0.125 0.000) 0.457 18.554 ( 0.545 0.542 0.000) 0.768 18.782 ( -1.261 0.943 0.000) 1.575 19.742 ( 3.918 -0.642 0.000) 3.970 19.893 ( 1.898 1.570 0.000) 2.463 20.222 ( 1.511 0.078 0.000) 1.513 20.386 ( 6.458 3.224 0.000) 7.218 20.548 ( 0.712 2.185 0.000) 2.298 21.186 ( 1.135 -1.289 0.000) 1.718 21.476 ( -5.200 2.165 0.000) 5.632 21.673 ( 0.405 -2.264 0.000) 2.300 22.665 ( -1.985 -1.308 0.000) 2.378 22.778 ( 1.568 -0.106 0.000) 1.572 23.232 ( 0.384 -0.710 0.000) 0.807 24.668 ( -0.690 0.307 0.000) 0.755 25.063 ( -1.076 0.428 0.000) 1.158 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 25.445 -0.000 0.000) 25.445 0.932 ( 27.996 -0.000 0.000) 27.996 1.975 ( 30.401 -0.000 0.000) 30.401 1.991 ( 17.825 -0.000 0.000) 17.825 2.527 ( 29.735 -0.000 0.000) 29.735 2.562 ( 8.638 -0.000 0.000) 8.638 2.754 ( -4.207 0.000 0.000) 4.207 2.782 ( 48.016 -0.000 0.000) 48.016 3.269 ( 16.781 -0.000 0.000) 16.781 3.532 ( 19.879 -0.000 0.000) 19.879 3.534 ( 15.547 -0.000 0.000) 15.547 4.129 ( -14.155 0.000 0.000) 14.155 4.208 ( -0.134 0.000 0.000) 0.134 4.389 ( -10.139 0.000 0.000) 10.139 4.557 ( -2.623 0.000 0.000) 2.623 4.591 ( 1.516 -0.000 0.000) 1.516 4.857 ( -18.324 0.000 0.000) 18.324 5.220 ( 10.798 -0.000 0.000) 10.798 5.479 ( 2.905 -0.000 0.000) 2.905 5.536 ( 7.923 -0.000 0.000) 7.923 5.679 ( -1.869 0.000 0.000) 1.869 5.890 ( 8.189 -0.000 0.000) 8.189 6.543 ( 0.277 -0.000 0.000) 0.277 6.629 ( -7.178 0.000 0.000) 7.178 6.738 ( 3.769 -0.000 0.000) 3.769 6.910 ( 0.658 -0.000 0.000) 0.658 7.154 ( -3.098 0.000 0.000) 3.098 7.549 ( 3.950 -0.000 0.000) 3.950 7.599 ( 5.907 -0.000 0.000) 5.907 7.648 ( -0.354 0.000 0.000) 0.354 7.932 ( 16.966 -0.000 0.000) 16.966 7.989 ( 2.083 -0.000 0.000) 2.083 8.164 ( -18.253 0.000 0.000) 18.253 8.425 ( 8.055 -0.000 0.000) 8.055 8.543 ( -5.739 0.000 0.000) 5.739 8.652 ( 2.092 -0.000 0.000) 2.092 8.752 ( 5.614 -0.000 0.000) 5.614 9.074 ( 8.254 -0.000 0.000) 8.254 9.573 ( -9.112 0.000 0.000) 9.112 10.332 ( -2.226 0.000 0.000) 2.226 10.370 ( -4.506 0.000 0.000) 4.506 10.882 ( 0.690 -0.000 0.000) 0.690 11.005 ( -2.384 0.000 0.000) 2.384 11.361 ( -9.598 0.000 0.000) 9.598 11.947 ( 4.253 -0.000 0.000) 4.253 12.169 ( -11.396 0.000 0.000) 11.396 12.254 ( -13.696 0.000 0.000) 13.696 12.855 ( -0.410 0.000 0.000) 0.410 12.995 ( 6.148 -0.000 0.000) 6.148 13.471 ( 4.451 -0.000 0.000) 4.451 13.496 ( 12.760 -0.000 0.000) 12.760 14.133 ( -0.033 0.000 0.000) 0.033 14.449 ( -4.375 0.000 0.000) 4.375 14.503 ( -1.192 0.000 0.000) 1.192 14.645 ( -8.193 0.000 0.000) 8.193 14.717 ( 9.827 -0.000 0.000) 9.827 15.829 ( -0.841 0.000 0.000) 0.841 16.608 ( -3.309 0.000 0.000) 3.309 16.822 ( -3.627 0.000 0.000) 3.627 17.019 ( 1.849 -0.000 0.000) 1.849 17.427 ( -12.196 0.000 0.000) 12.196 17.622 ( -17.566 0.000 0.000) 17.566 17.951 ( 2.143 -0.000 0.000) 2.143 18.494 ( 6.113 -0.000 0.000) 6.113 18.959 ( -5.694 0.000 0.000) 5.694 19.372 ( 17.800 -0.000 0.000) 17.800 19.915 ( 12.010 -0.000 0.000) 12.010 20.051 ( 10.253 -0.000 0.000) 10.253 20.676 ( 4.405 -0.000 0.000) 4.405 20.805 ( 2.534 -0.000 0.000) 2.534 20.906 ( -0.379 0.000 0.000) 0.379 21.372 ( -1.049 0.000 0.000) 1.049 21.885 ( -2.333 0.000 0.000) 2.333 22.653 ( 3.922 -0.000 0.000) 3.922 22.681 ( -13.219 0.000 0.000) 13.219 23.000 ( 4.239 -0.000 0.000) 4.239 24.756 ( -2.268 0.000 0.000) 2.268 25.198 ( -4.078 0.000 0.000) 4.078 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 25.893 -11.396 0.000) 28.290 1.529 ( 23.077 -19.266 0.000) 30.062 2.199 ( 11.301 5.901 0.000) 12.749 2.330 ( 11.529 -5.008 0.000) 12.570 2.575 ( -5.238 11.847 0.000) 12.953 2.822 ( 11.801 -11.319 0.000) 16.352 2.995 ( 14.234 -7.741 0.000) 16.202 3.577 ( 40.462 -1.618 0.000) 40.494 3.792 ( 40.729 -0.797 0.000) 40.736 3.838 ( 5.792 -0.782 0.000) 5.845 3.861 ( 7.871 3.411 0.000) 8.578 3.986 ( 6.285 -3.374 0.000) 7.134 4.012 ( -3.053 4.486 0.000) 5.426 4.329 ( 5.683 8.453 0.000) 10.186 4.483 ( -10.185 0.692 0.000) 10.209 4.628 ( 4.552 1.419 0.000) 4.768 4.732 ( -3.372 -17.114 0.000) 17.443 5.411 ( 8.701 -2.510 0.000) 9.056 5.487 ( 0.862 2.301 0.000) 2.457 5.662 ( -2.332 -2.815 0.000) 3.656 5.682 ( 1.814 -6.927 0.000) 7.160 6.031 ( 7.010 -1.542 0.000) 7.177 6.471 ( -6.326 5.069 0.000) 8.106 6.506 ( -3.293 0.612 0.000) 3.349 6.817 ( -1.452 -9.094 0.000) 9.209 6.955 ( 4.139 -0.221 0.000) 4.145 7.090 ( -2.741 2.491 0.000) 3.704 7.532 ( -0.558 9.494 0.000) 9.510 7.595 ( 1.390 6.726 0.000) 6.869 7.682 ( 1.873 -0.290 0.000) 1.895 7.832 ( -19.349 -6.623 0.000) 20.451 8.097 ( 3.763 -3.092 0.000) 4.870 8.112 ( 6.831 4.906 0.000) 8.410 8.389 ( -1.699 7.681 0.000) 7.866 8.452 ( 6.712 12.277 0.000) 13.992 8.771 ( -2.249 -8.527 0.000) 8.819 8.783 ( 4.537 9.103 0.000) 10.171 9.231 ( 6.154 -2.515 0.000) 6.649 9.529 ( 4.050 -5.334 0.000) 6.698 10.293 ( -5.595 -1.315 0.000) 5.747 10.296 ( -3.572 -2.055 0.000) 4.121 10.896 ( 0.129 -0.017 0.000) 0.131 10.956 ( -2.006 1.702 0.000) 2.631 11.145 ( -9.025 4.179 0.000) 9.945 11.992 ( -3.946 0.934 0.000) 4.055 12.071 ( 1.741 -4.978 0.000) 5.274 12.090 ( -10.216 -4.437 0.000) 11.138 12.884 ( 1.138 -3.907 0.000) 4.070 13.055 ( 0.925 0.743 0.000) 1.186 13.529 ( 4.874 3.310 0.000) 5.892 13.741 ( 8.663 -7.139 0.000) 11.226 14.147 ( 1.158 -1.577 0.000) 1.956 14.253 ( -4.551 18.452 0.000) 19.005 14.377 ( -5.064 -1.146 0.000) 5.192 14.600 ( -5.469 -4.340 0.000) 6.982 15.034 ( 9.756 -16.006 0.000) 18.744 15.826 ( 0.351 -0.313 0.000) 0.470 16.530 ( -6.181 -0.430 0.000) 6.196 16.777 ( -2.076 -0.558 0.000) 2.150 17.077 ( 2.815 -2.543 0.000) 3.793 17.274 ( -6.224 -0.711 0.000) 6.265 17.433 ( -6.587 -2.656 0.000) 7.102 18.013 ( 4.997 0.984 0.000) 5.093 18.566 ( 2.952 0.595 0.000) 3.011 18.854 ( -6.723 -0.625 0.000) 6.752 19.603 ( 9.884 0.144 0.000) 9.885 20.105 ( 5.964 9.883 0.000) 11.543 20.127 ( 11.499 -0.213 0.000) 11.501 20.658 ( 7.623 15.058 0.000) 16.878 20.804 ( 3.171 8.391 0.000) 8.970 20.976 ( 2.029 -7.374 0.000) 7.648 21.403 ( -1.138 -8.023 0.000) 8.103 21.809 ( -3.905 6.031 0.000) 7.184 22.515 ( -12.728 -9.718 0.000) 16.014 22.721 ( 3.560 -0.248 0.000) 3.568 23.091 ( 2.080 -4.160 0.000) 4.651 24.715 ( -2.092 0.440 0.000) 2.137 25.123 ( -4.267 0.203 0.000) 4.272 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 22.875 -13.956 0.000) 26.796 2.074 ( 12.738 -10.546 0.000) 16.537 2.214 ( 3.464 8.366 0.000) 9.055 2.351 ( -0.528 7.523 0.000) 7.541 2.548 ( 3.394 -6.153 0.000) 7.027 3.172 ( 9.976 -12.441 0.000) 15.947 3.259 ( 5.978 -8.313 0.000) 10.239 3.492 ( -14.722 17.084 0.000) 22.552 3.770 ( -0.763 2.837 0.000) 2.938 4.046 ( 10.089 0.626 0.000) 10.109 4.232 ( 13.045 2.539 0.000) 13.289 4.238 ( 9.732 4.833 0.000) 10.866 4.334 ( 6.137 -1.614 0.000) 6.346 4.388 ( 6.683 3.931 0.000) 7.753 4.483 ( 25.399 -4.036 0.000) 25.717 4.781 ( 18.306 1.396 0.000) 18.359 5.041 ( 11.176 -17.836 0.000) 21.049 5.442 ( -5.810 -0.849 0.000) 5.872 5.539 ( 0.896 -3.912 0.000) 4.013 5.646 ( -3.969 -3.446 0.000) 5.256 5.751 ( -0.292 -2.910 0.000) 2.924 6.123 ( 2.402 3.134 0.000) 3.949 6.328 ( -3.470 1.426 0.000) 3.752 6.464 ( -2.794 -3.289 0.000) 4.315 6.919 ( -2.935 -12.798 0.000) 13.131 6.967 ( -5.111 4.224 0.000) 6.631 7.035 ( 3.029 0.784 0.000) 3.129 7.346 ( -3.630 10.552 0.000) 11.159 7.500 ( -1.508 8.593 0.000) 8.724 7.627 ( -17.089 -8.827 0.000) 19.234 7.711 ( 2.046 -0.070 0.000) 2.048 8.059 ( -7.624 0.294 0.000) 7.630 8.212 ( 3.961 -3.650 0.000) 5.386 8.329 ( 2.210 2.337 0.000) 3.217 8.382 ( 3.797 13.268 0.000) 13.800 8.722 ( 5.625 13.748 0.000) 14.854 8.756 ( 0.177 3.102 0.000) 3.107 9.327 ( 3.815 0.565 0.000) 3.857 9.800 ( 13.579 -7.984 0.000) 15.752 10.212 ( -5.993 -1.581 0.000) 6.198 10.265 ( -3.728 -2.959 0.000) 4.760 10.811 ( -4.297 5.675 0.000) 7.118 10.944 ( 0.184 -1.483 0.000) 1.495 11.023 ( -3.374 -1.066 0.000) 3.539 11.924 ( -1.984 -0.076 0.000) 1.985 12.015 ( -3.841 -2.862 0.000) 4.789 12.213 ( 5.334 -5.900 0.000) 7.953 12.992 ( 3.378 -7.262 0.000) 8.010 12.999 ( -2.310 5.822 0.000) 6.264 13.563 ( 2.920 1.537 0.000) 3.300 13.857 ( -2.226 10.171 0.000) 10.412 14.048 ( 2.868 -1.405 0.000) 3.193 14.213 ( 0.797 -4.680 0.000) 4.747 14.309 ( -2.818 0.231 0.000) 2.828 14.538 ( -5.756 -1.015 0.000) 5.845 15.400 ( 10.092 -14.536 0.000) 17.696 15.850 ( 2.202 0.171 0.000) 2.209 16.430 ( -5.568 -0.857 0.000) 5.633 16.758 ( 0.194 1.420 0.000) 1.433 17.166 ( 3.254 -3.009 0.000) 4.432 17.230 ( -0.281 -0.604 0.000) 0.666 17.443 ( 2.072 -3.443 0.000) 4.018 18.071 ( 4.913 3.776 0.000) 6.197 18.585 ( 0.994 1.429 0.000) 1.740 18.761 ( -5.771 -1.837 0.000) 6.056 19.716 ( 3.128 -0.969 0.000) 3.274 20.050 ( 1.458 8.114 0.000) 8.244 20.283 ( 8.252 2.601 0.000) 8.652 20.594 ( 4.969 12.746 0.000) 13.681 20.710 ( 0.693 10.936 0.000) 10.958 21.101 ( 2.383 -4.947 0.000) 5.491 21.511 ( -0.387 -10.045 0.000) 10.052 21.629 ( -3.602 9.384 0.000) 10.052 22.492 ( -6.978 -12.077 0.000) 13.948 22.769 ( 1.344 -0.491 0.000) 1.431 23.159 ( -0.317 -4.263 0.000) 4.275 24.681 ( -1.043 0.556 0.000) 1.182 25.060 ( -3.063 -0.467 0.000) 3.098 ======================= Grid point 13 (9/75) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 1.083 15.339 0.000) 15.377 2.258 ( 14.374 -7.309 0.000) 16.126 2.276 ( -3.822 1.864 0.000) 4.252 2.377 ( -0.359 -2.673 0.000) 2.697 2.671 ( 1.357 -10.382 0.000) 10.470 3.061 ( -9.707 12.437 0.000) 15.777 3.411 ( 5.346 -2.101 0.000) 5.744 3.418 ( 4.345 -6.747 0.000) 8.025 3.797 ( 4.446 1.153 0.000) 4.593 4.148 ( 6.830 5.249 0.000) 8.614 4.208 ( 1.196 -1.240 0.000) 1.722 4.283 ( 3.579 7.985 0.000) 8.750 4.370 ( -2.630 9.480 0.000) 9.838 4.527 ( 9.149 3.783 0.000) 9.900 4.715 ( -0.636 2.068 0.000) 2.164 4.914 ( -7.066 7.840 0.000) 10.554 5.417 ( 4.246 -5.528 0.000) 6.970 5.448 ( 8.998 -10.487 0.000) 13.818 5.537 ( -3.481 -5.574 0.000) 6.572 5.686 ( 5.878 -1.316 0.000) 6.024 5.788 ( 3.355 -0.730 0.000) 3.434 6.018 ( -3.750 7.522 0.000) 8.405 6.334 ( 1.441 -1.119 0.000) 1.824 6.484 ( -2.187 -5.104 0.000) 5.553 6.823 ( -5.077 1.813 0.000) 5.391 7.003 ( -4.061 -7.805 0.000) 8.798 7.049 ( -0.727 1.717 0.000) 1.864 7.168 ( -1.879 8.507 0.000) 8.712 7.366 ( -6.078 -0.591 0.000) 6.107 7.511 ( -13.416 -14.156 0.000) 19.504 7.733 ( 0.269 3.042 0.000) 3.054 7.931 ( -8.853 -5.972 0.000) 10.679 8.247 ( -0.585 12.419 0.000) 12.432 8.303 ( 3.081 -1.461 0.000) 3.410 8.379 ( 3.257 -0.883 0.000) 3.374 8.639 ( 6.413 15.579 0.000) 16.847 8.767 ( 8.710 6.088 0.000) 10.627 9.354 ( 1.327 1.791 0.000) 2.229 10.045 ( 1.906 0.653 0.000) 2.015 10.180 ( 4.802 -4.065 0.000) 6.292 10.244 ( -3.458 -3.541 0.000) 4.950 10.705 ( -0.857 2.649 0.000) 2.784 10.965 ( -0.128 -1.437 0.000) 1.442 11.015 ( -0.082 -1.392 0.000) 1.394 11.934 ( 3.209 0.212 0.000) 3.216 12.037 ( 3.484 -1.290 0.000) 3.715 12.374 ( 4.711 -4.742 0.000) 6.684 12.867 ( -1.770 7.388 0.000) 7.597 13.178 ( 5.694 -9.953 0.000) 11.467 13.581 ( -0.213 0.004 0.000) 0.213 13.599 ( -4.087 15.768 0.000) 16.289 14.195 ( -7.026 -3.431 0.000) 7.819 14.206 ( 3.611 -8.072 0.000) 8.842 14.355 ( 5.933 -0.419 0.000) 5.948 14.435 ( -6.023 0.844 0.000) 6.082 15.701 ( 7.693 -7.958 0.000) 11.068 15.882 ( 2.635 1.762 0.000) 3.170 16.393 ( -0.718 -2.530 0.000) 2.630 16.751 ( 3.374 3.886 0.000) 5.146 17.249 ( 3.114 -1.062 0.000) 3.290 17.269 ( 4.533 0.544 0.000) 4.565 17.553 ( 6.979 -0.800 0.000) 7.024 18.082 ( 3.407 5.434 0.000) 6.414 18.571 ( -0.263 1.631 0.000) 1.652 18.714 ( -3.672 -3.639 0.000) 5.170 19.734 ( -2.706 -0.935 0.000) 2.863 19.969 ( -0.926 4.905 0.000) 4.991 20.332 ( 4.583 6.867 0.000) 8.256 20.464 ( -4.773 10.073 0.000) 11.146 20.584 ( -2.151 6.106 0.000) 6.474 21.158 ( -0.844 -2.552 0.000) 2.688 21.534 ( 4.808 6.027 0.000) 7.710 21.614 ( -0.521 -6.935 0.000) 6.955 22.554 ( -2.372 -9.929 0.000) 10.208 22.772 ( -1.813 -0.542 0.000) 1.892 23.188 ( -2.045 -3.782 0.000) 4.300 24.669 ( 0.288 0.312 0.000) 0.424 25.037 ( -1.103 -1.540 0.000) 1.894 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 1.200 5.938 0.000) 6.058 2.143 ( -10.818 0.579 0.000) 10.834 2.193 ( -8.674 20.354 0.000) 22.126 2.278 ( -7.149 1.279 0.000) 7.263 2.783 ( 0.523 0.294 0.000) 0.600 3.108 ( 11.663 -11.929 0.000) 16.683 3.497 ( -0.808 -0.707 0.000) 1.074 3.523 ( 6.894 2.648 0.000) 7.385 3.749 ( -10.337 2.307 0.000) 10.591 3.975 ( -21.249 12.888 0.000) 24.852 4.128 ( 2.693 9.474 0.000) 9.849 4.170 ( -9.017 14.088 0.000) 16.727 4.392 ( -10.598 8.370 0.000) 13.505 4.397 ( 11.880 -2.572 0.000) 12.156 4.535 ( 2.976 11.757 0.000) 12.127 4.654 ( -8.561 9.237 0.000) 12.594 5.393 ( -5.546 2.672 0.000) 6.156 5.585 ( 6.596 -0.914 0.000) 6.659 5.703 ( 1.777 4.214 0.000) 4.573 5.738 ( -2.212 -2.585 0.000) 3.402 5.914 ( -1.364 -4.827 0.000) 5.015 5.918 ( 10.014 3.879 0.000) 10.739 6.359 ( 1.418 1.037 0.000) 1.757 6.475 ( -2.844 -0.596 0.000) 2.906 6.801 ( -1.280 -7.009 0.000) 7.125 6.964 ( -6.707 -3.144 0.000) 7.407 6.976 ( -3.841 1.197 0.000) 4.023 7.130 ( 2.718 -0.280 0.000) 2.732 7.328 ( -9.986 -11.412 0.000) 15.164 7.483 ( -12.358 -14.810 0.000) 19.289 7.643 ( -2.612 3.750 0.000) 4.570 7.905 ( -3.622 -2.999 0.000) 4.702 8.066 ( -5.469 7.341 0.000) 9.154 8.326 ( 0.060 3.497 0.000) 3.497 8.442 ( -2.744 -7.120 0.000) 7.630 8.574 ( 12.664 17.693 0.000) 21.759 8.913 ( 14.549 2.458 0.000) 14.755 9.334 ( -0.544 2.121 0.000) 2.190 9.934 ( -6.212 4.933 0.000) 7.932 10.244 ( -2.519 -4.879 0.000) 5.491 10.373 ( 10.274 0.013 0.000) 10.274 10.722 ( 3.614 -0.819 0.000) 3.706 10.973 ( -0.269 -0.338 0.000) 0.432 11.043 ( 1.223 -1.259 0.000) 1.755 12.018 ( 7.107 0.875 0.000) 7.161 12.160 ( 9.347 -0.493 0.000) 9.360 12.427 ( 0.414 4.471 0.000) 4.490 12.833 ( 3.192 -1.551 0.000) 3.549 13.356 ( -2.787 13.551 0.000) 13.835 13.423 ( 6.621 -11.777 0.000) 13.510 13.536 ( -4.234 1.748 0.000) 4.580 14.120 ( -6.060 -2.815 0.000) 6.682 14.255 ( -3.761 3.699 0.000) 5.275 14.403 ( -0.236 -7.899 0.000) 7.902 14.458 ( 5.636 0.058 0.000) 5.636 15.838 ( 5.802 3.821 0.000) 6.947 15.889 ( 1.747 2.844 0.000) 3.338 16.468 ( 4.038 -3.975 0.000) 5.667 16.790 ( 6.652 3.459 0.000) 7.497 17.288 ( 2.612 2.773 0.000) 3.809 17.365 ( 8.803 2.131 0.000) 9.058 17.683 ( 10.691 3.820 0.000) 11.353 18.063 ( 2.578 5.033 0.000) 5.655 18.540 ( -1.482 0.946 0.000) 1.758 18.720 ( -3.062 -5.728 0.000) 6.495 19.628 ( -9.753 1.580 0.000) 9.880 19.902 ( -1.277 3.595 0.000) 3.815 20.184 ( -15.248 5.488 0.000) 16.205 20.281 ( 1.045 8.313 0.000) 8.379 20.501 ( -2.986 -0.117 0.000) 2.988 21.159 ( -1.642 -1.108 0.000) 1.980 21.618 ( 9.785 1.821 0.000) 9.953 21.659 ( -1.021 -2.313 0.000) 2.528 22.651 ( 0.961 -7.275 0.000) 7.338 22.725 ( -4.268 -0.487 0.000) 4.296 23.191 ( -2.473 -3.204 0.000) 4.048 24.682 ( 1.316 -0.271 0.000) 1.344 25.061 ( 0.834 -2.523 0.000) 2.657 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -9.254 27.070 0.000) 28.608 1.735 ( -18.806 -0.041 0.000) 18.806 1.958 ( -5.851 2.196 0.000) 6.250 2.231 ( 1.312 -5.075 0.000) 5.242 2.583 ( -13.850 14.746 0.000) 20.231 3.137 ( -29.023 12.078 0.000) 31.436 3.209 ( -28.140 21.403 0.000) 35.355 3.469 ( -2.905 12.880 0.000) 13.204 3.538 ( -2.576 10.781 0.000) 11.084 3.611 ( 10.393 -10.992 0.000) 15.127 3.854 ( -4.725 8.268 0.000) 9.523 4.100 ( 3.742 7.945 0.000) 8.782 4.261 ( 5.864 10.573 0.000) 12.091 4.342 ( -3.036 16.377 0.000) 16.656 4.538 ( 2.415 -1.696 0.000) 2.951 4.592 ( 7.594 -0.441 0.000) 7.607 5.305 ( 3.394 6.177 0.000) 7.048 5.535 ( -4.552 11.968 0.000) 12.805 5.604 ( -0.192 5.974 0.000) 5.977 5.688 ( -8.173 -2.282 0.000) 8.485 5.945 ( 1.487 7.521 0.000) 7.667 5.958 ( -4.563 -2.467 0.000) 5.187 6.393 ( 3.416 -1.663 0.000) 3.800 6.464 ( 0.876 -1.185 0.000) 1.474 6.884 ( -2.271 -4.899 0.000) 5.400 6.897 ( -8.311 -6.359 0.000) 10.464 6.922 ( -0.446 -2.712 0.000) 2.749 7.228 ( 3.068 -4.772 0.000) 5.673 7.254 ( -12.624 -9.254 0.000) 15.652 7.451 ( -13.127 -15.172 0.000) 20.063 7.590 ( 0.409 4.006 0.000) 4.027 7.847 ( -2.662 3.729 0.000) 4.582 7.926 ( -8.798 -6.959 0.000) 11.217 8.233 ( -2.172 7.063 0.000) 7.389 8.436 ( -2.948 -3.407 0.000) 4.505 8.658 ( 11.973 6.281 0.000) 13.520 9.150 ( 14.359 1.894 0.000) 14.483 9.291 ( -0.670 2.767 0.000) 2.847 9.748 ( -5.843 7.074 0.000) 9.175 10.281 ( -1.218 -5.761 0.000) 5.888 10.500 ( 7.503 3.632 0.000) 8.336 10.818 ( 4.124 -2.721 0.000) 4.941 10.966 ( 0.038 0.864 0.000) 0.865 11.079 ( 0.871 -1.231 0.000) 1.508 12.111 ( 4.793 3.809 0.000) 6.123 12.352 ( 12.138 -0.407 0.000) 12.144 12.361 ( 3.831 6.395 0.000) 7.455 12.953 ( 3.489 -5.402 0.000) 6.431 13.160 ( -3.114 10.179 0.000) 10.645 13.391 ( -8.281 3.981 0.000) 9.188 13.673 ( 5.119 -11.081 0.000) 12.206 14.073 ( -3.589 -3.074 0.000) 4.726 14.121 ( -3.393 5.403 0.000) 6.380 14.503 ( 0.131 -6.642 0.000) 6.644 14.539 ( 4.490 0.955 0.000) 4.590 15.853 ( 11.015 13.650 0.000) 17.540 15.879 ( 1.172 2.510 0.000) 2.770 16.593 ( 4.412 -3.171 0.000) 5.434 16.869 ( 6.860 3.113 0.000) 7.533 17.266 ( 1.834 6.750 0.000) 6.994 17.516 ( 12.787 2.940 0.000) 13.121 17.832 ( 15.152 6.442 0.000) 16.465 18.051 ( 2.613 4.095 0.000) 4.858 18.491 ( -3.568 0.452 0.000) 3.597 18.731 ( -7.336 -8.776 0.000) 11.438 19.368 ( -16.814 3.163 0.000) 17.109 19.720 ( -9.739 14.232 0.000) 17.245 19.968 ( -10.968 -11.556 0.000) 15.933 20.154 ( -3.423 9.113 0.000) 9.735 20.497 ( -1.186 -4.792 0.000) 4.936 21.128 ( -1.632 1.574 0.000) 2.267 21.640 ( -1.163 2.119 0.000) 2.417 21.786 ( 9.126 -1.844 0.000) 9.311 22.652 ( -4.610 -0.483 0.000) 4.635 22.764 ( 2.986 -5.102 0.000) 5.912 23.199 ( -0.448 -2.879 0.000) 2.914 24.717 ( 1.682 -0.956 0.000) 1.935 25.122 ( 1.970 -3.127 0.000) 3.696 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -35.067 6.525 0.000) 35.669 1.245 ( -4.012 30.383 0.000) 30.647 1.827 ( -3.030 8.024 0.000) 8.577 2.067 ( -23.559 6.553 0.000) 24.454 2.371 ( -12.193 41.242 0.000) 43.007 2.396 ( -29.378 16.875 0.000) 33.880 2.459 ( 3.414 -7.647 0.000) 8.374 3.180 ( -0.610 26.237 0.000) 26.244 3.308 ( -4.386 18.166 0.000) 18.688 3.649 ( -5.657 3.759 0.000) 6.791 3.802 ( -2.550 22.002 0.000) 22.149 4.085 ( 7.736 -15.129 0.000) 16.992 4.197 ( 0.067 3.572 0.000) 3.573 4.394 ( 11.436 -0.276 0.000) 11.440 4.667 ( 2.108 -0.359 0.000) 2.138 4.688 ( 13.556 1.002 0.000) 13.593 5.280 ( -4.169 9.937 0.000) 10.776 5.382 ( 10.239 8.397 0.000) 13.242 5.400 ( -16.101 2.397 0.000) 16.278 5.578 ( -3.116 4.696 0.000) 5.636 5.826 ( -2.608 7.164 0.000) 7.624 5.827 ( -8.329 2.947 0.000) 8.834 6.477 ( 0.057 -3.511 0.000) 3.512 6.488 ( -0.192 -0.220 0.000) 0.292 6.842 ( -2.730 -1.424 0.000) 3.079 6.867 ( -0.657 1.527 0.000) 1.663 6.974 ( -3.160 -5.406 0.000) 6.262 7.196 ( -9.629 -13.019 0.000) 16.193 7.297 ( -3.722 -8.917 0.000) 9.663 7.440 ( -7.432 -9.826 0.000) 12.320 7.523 ( -1.702 3.753 0.000) 4.121 7.757 ( -1.422 3.798 0.000) 4.055 7.948 ( -4.891 -13.417 0.000) 14.281 8.107 ( -1.767 6.879 0.000) 7.102 8.491 ( 3.081 -5.880 0.000) 6.638 8.746 ( 3.096 1.810 0.000) 3.587 9.226 ( 4.292 15.594 0.000) 16.173 9.258 ( 1.506 2.977 0.000) 3.336 9.651 ( 0.772 -1.922 0.000) 2.071 10.341 ( -0.050 -5.504 0.000) 5.504 10.540 ( 3.772 4.975 0.000) 6.243 10.893 ( 0.778 -1.204 0.000) 1.434 10.969 ( 1.440 -0.181 0.000) 1.451 11.089 ( -1.573 -0.799 0.000) 1.764 12.053 ( -0.739 7.680 0.000) 7.715 12.447 ( 10.052 1.857 0.000) 10.222 12.554 ( 10.121 -0.298 0.000) 10.125 12.995 ( -3.782 6.297 0.000) 7.346 13.002 ( -3.048 4.082 0.000) 5.094 13.227 ( -5.675 -3.438 0.000) 6.635 13.829 ( 1.354 -4.014 0.000) 4.236 14.054 ( 0.390 -0.073 0.000) 0.397 14.075 ( -1.046 -3.254 0.000) 3.418 14.569 ( 0.226 -3.578 0.000) 3.585 14.582 ( 2.539 1.929 0.000) 3.189 15.869 ( 0.666 1.621 0.000) 1.753 15.936 ( 21.974 15.652 0.000) 26.978 16.671 ( 1.924 -0.479 0.000) 1.982 16.930 ( 5.596 4.239 0.000) 7.020 17.190 ( 0.968 8.621 0.000) 8.675 17.712 ( 13.295 2.390 0.000) 13.508 18.036 ( 0.290 3.117 0.000) 3.130 18.056 ( 19.143 4.051 0.000) 19.567 18.395 ( -6.436 1.394 0.000) 6.586 18.639 ( -20.167 -11.247 0.000) 23.091 19.009 ( -20.246 2.638 0.000) 20.417 19.373 ( -8.114 12.700 0.000) 15.070 19.955 ( -4.762 10.008 0.000) 11.083 19.993 ( -6.112 -13.730 0.000) 15.029 20.565 ( -0.123 -7.076 0.000) 7.077 21.071 ( -0.853 3.884 0.000) 3.976 21.576 ( -0.654 5.245 0.000) 5.286 21.949 ( 5.487 -3.694 0.000) 6.615 22.593 ( -2.783 -0.433 0.000) 2.817 22.862 ( 2.168 -2.835 0.000) 3.569 23.272 ( 4.394 -4.091 0.000) 6.004 24.757 ( 1.211 -1.352 0.000) 1.815 25.195 ( 1.714 -3.136 0.000) 3.574 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 20.142 0.000) 20.142 0.820 ( 0.000 32.375 0.000) 32.375 1.547 ( 0.000 59.873 0.000) 59.873 1.660 ( 0.000 8.805 0.000) 8.805 1.791 ( 0.000 4.615 0.000) 4.615 1.903 ( 0.000 15.367 0.000) 15.367 2.741 ( -0.000 -20.080 0.000) 20.080 2.833 ( 0.000 26.580 0.000) 26.580 3.014 ( 0.000 17.154 0.000) 17.154 3.433 ( 0.000 24.020 0.000) 24.020 3.599 ( 0.000 0.629 0.000) 0.629 4.161 ( 0.000 2.248 0.000) 2.248 4.392 ( -0.000 -16.641 0.000) 16.641 4.529 ( -0.000 -2.274 0.000) 2.274 4.707 ( -0.000 -2.573 0.000) 2.573 4.825 ( 0.000 9.627 0.000) 9.627 5.100 ( 0.000 9.553 0.000) 9.553 5.179 ( -0.000 -2.911 0.000) 2.911 5.420 ( 0.000 6.840 0.000) 6.840 5.452 ( 0.000 8.135 0.000) 8.135 5.690 ( 0.000 2.999 0.000) 2.999 5.730 ( 0.000 3.369 0.000) 3.369 6.478 ( -0.000 -0.376 0.000) 0.376 6.484 ( -0.000 -2.245 0.000) 2.245 6.776 ( 0.000 6.033 0.000) 6.033 6.838 ( 0.000 1.384 0.000) 1.384 6.988 ( -0.000 -4.193 0.000) 4.193 7.272 ( -0.000 -11.827 0.000) 11.827 7.399 ( -0.000 -10.246 0.000) 10.246 7.418 ( -0.000 -1.315 0.000) 1.315 7.482 ( -0.000 -1.170 0.000) 1.170 7.711 ( 0.000 1.865 0.000) 1.865 8.013 ( 0.000 5.563 0.000) 5.563 8.069 ( -0.000 -12.151 0.000) 12.151 8.654 ( -0.000 -9.222 0.000) 9.222 8.707 ( 0.000 3.714 0.000) 3.714 8.997 ( 0.000 21.827 0.000) 21.827 9.260 ( 0.000 1.082 0.000) 1.082 9.727 ( -0.000 -4.401 0.000) 4.401 10.412 ( -0.000 -4.846 0.000) 4.846 10.512 ( 0.000 4.308 0.000) 4.308 10.890 ( 0.000 1.138 0.000) 1.138 10.990 ( -0.000 -0.802 0.000) 0.802 11.062 ( 0.000 0.505 0.000) 0.505 11.953 ( 0.000 6.329 0.000) 6.329 12.564 ( -0.000 -0.662 0.000) 0.662 12.646 ( 0.000 0.626 0.000) 0.626 12.816 ( 0.000 10.096 0.000) 10.096 12.904 ( 0.000 2.641 0.000) 2.641 13.280 ( -0.000 -7.836 0.000) 7.836 13.878 ( -0.000 -2.302 0.000) 2.302 14.080 ( -0.000 -1.574 0.000) 1.574 14.106 ( -0.000 -2.523 0.000) 2.523 14.575 ( 0.000 2.552 0.000) 2.552 14.600 ( -0.000 -1.237 0.000) 1.237 15.859 ( 0.000 0.842 0.000) 0.842 16.133 ( 0.000 4.244 0.000) 4.244 16.679 ( 0.000 1.342 0.000) 1.342 16.938 ( 0.000 3.749 0.000) 3.749 17.097 ( 0.000 7.617 0.000) 7.617 17.831 ( 0.000 1.308 0.000) 1.308 17.978 ( 0.000 1.309 0.000) 1.309 18.283 ( 0.000 2.140 0.000) 2.140 18.284 ( 0.000 0.382 0.000) 0.382 18.404 ( 0.000 0.360 0.000) 0.360 18.728 ( 0.000 1.721 0.000) 1.721 19.173 ( 0.000 9.022 0.000) 9.022 19.789 ( 0.000 8.390 0.000) 8.390 20.101 ( -0.000 -12.730 0.000) 12.730 20.655 ( -0.000 -7.224 0.000) 7.224 21.006 ( 0.000 5.170 0.000) 5.170 21.496 ( 0.000 6.477 0.000) 6.477 22.049 ( -0.000 -4.052 0.000) 4.052 22.573 ( -0.000 -0.209 0.000) 0.209 22.902 ( -0.000 -0.740 0.000) 0.740 23.415 ( -0.000 -6.711 0.000) 6.711 24.785 ( -0.000 -1.218 0.000) 1.218 25.247 ( -0.000 -2.378 0.000) 2.378 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 25.958 -0.000 0.000) 25.958 1.814 ( 21.917 -0.000 0.000) 21.917 2.337 ( 0.643 -0.000 0.000) 0.643 2.464 ( 6.803 -0.000 0.000) 6.803 2.584 ( -2.943 0.000 0.000) 2.943 2.984 ( 14.056 -0.000 0.000) 14.056 3.104 ( 7.417 -0.000 0.000) 7.417 3.775 ( -9.099 0.000 0.000) 9.099 3.813 ( -1.243 0.000 0.000) 1.243 4.070 ( -0.170 0.000 0.000) 0.170 4.266 ( 24.955 -0.000 0.000) 24.955 4.276 ( 22.302 -0.000 0.000) 22.302 4.317 ( -0.499 0.000 0.000) 0.499 4.426 ( 25.662 -0.000 0.000) 25.662 4.557 ( 3.662 -0.000 0.000) 3.662 4.676 ( 20.717 -0.000 0.000) 20.717 4.802 ( 19.224 -0.000 0.000) 19.224 5.449 ( -10.422 0.000 0.000) 10.422 5.484 ( 0.418 -0.000 0.000) 0.418 5.612 ( -0.567 0.000 0.000) 0.567 5.663 ( 2.543 -0.000 0.000) 2.543 6.140 ( 6.938 -0.000 0.000) 6.938 6.395 ( -6.952 0.000 0.000) 6.952 6.415 ( -6.915 0.000 0.000) 6.915 6.701 ( -3.614 0.000 0.000) 3.614 7.015 ( 1.464 -0.000 0.000) 1.464 7.070 ( -0.435 0.000 0.000) 0.435 7.403 ( -20.868 0.000 0.000) 20.868 7.615 ( -0.812 0.000 0.000) 0.812 7.662 ( 2.078 -0.000 0.000) 2.078 7.685 ( -1.740 0.000 0.000) 1.740 8.050 ( -14.036 0.000 0.000) 14.036 8.153 ( 4.142 -0.000 0.000) 4.142 8.321 ( -5.810 0.000 0.000) 5.810 8.654 ( -0.856 0.000 0.000) 0.856 8.733 ( 8.999 -0.000 0.000) 8.999 8.960 ( 6.103 -0.000 0.000) 6.103 9.345 ( 7.838 -0.000 0.000) 7.838 9.674 ( 16.664 -0.000 0.000) 16.664 10.188 ( -5.796 0.000 0.000) 5.796 10.204 ( -5.215 0.000 0.000) 5.215 10.899 ( -0.578 0.000 0.000) 0.578 10.946 ( -0.578 0.000 0.000) 0.578 10.982 ( -10.070 0.000 0.000) 10.070 11.924 ( -2.054 0.000 0.000) 2.054 11.957 ( -2.225 0.000 0.000) 2.225 12.132 ( 6.399 -0.000 0.000) 6.399 12.898 ( 3.472 -0.000 0.000) 3.472 13.067 ( -0.357 0.000 0.000) 0.357 13.614 ( 2.324 -0.000 0.000) 2.324 13.842 ( 7.292 -0.000 0.000) 7.292 14.124 ( -2.293 0.000 0.000) 2.293 14.316 ( -0.937 0.000 0.000) 0.937 14.337 ( -8.567 0.000 0.000) 8.567 14.378 ( -5.528 0.000 0.000) 5.528 15.180 ( 15.652 -0.000 0.000) 15.652 15.853 ( 3.197 -0.000 0.000) 3.197 16.415 ( -6.422 0.000 0.000) 6.422 16.772 ( 1.826 -0.000 0.000) 1.826 17.123 ( 4.377 -0.000 0.000) 4.377 17.222 ( 0.355 -0.000 0.000) 0.355 17.395 ( 3.505 -0.000 0.000) 3.505 18.130 ( 6.943 -0.000 0.000) 6.943 18.605 ( 1.269 -0.000 0.000) 1.269 18.731 ( -6.905 0.000 0.000) 6.905 19.704 ( 2.763 -0.000 0.000) 2.763 20.166 ( -3.561 0.000 0.000) 3.561 20.314 ( 9.611 -0.000 0.000) 9.611 20.886 ( -0.796 0.000 0.000) 0.796 20.952 ( 5.411 -0.000 0.000) 5.411 20.952 ( 9.185 -0.000 0.000) 9.185 21.291 ( -4.067 0.000 0.000) 4.067 21.850 ( 0.547 -0.000 0.000) 0.547 22.215 ( -11.698 0.000 0.000) 11.698 22.762 ( 1.257 -0.000 0.000) 1.257 23.090 ( 0.212 -0.000 0.000) 0.212 24.689 ( -1.127 0.000 0.000) 1.127 25.052 ( -3.916 0.000 0.000) 3.916 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 21.999 -6.716 0.000) 23.001 2.172 ( 11.282 -8.024 0.000) 13.845 2.275 ( -5.333 2.936 0.000) 6.088 2.460 ( -3.672 2.739 0.000) 4.581 2.528 ( 2.745 8.021 0.000) 8.477 3.201 ( 3.547 -3.782 0.000) 5.185 3.268 ( 6.157 -7.224 0.000) 9.492 3.515 ( -6.297 14.243 0.000) 15.572 3.856 ( 7.534 2.122 0.000) 7.827 4.053 ( 0.607 -7.199 0.000) 7.225 4.360 ( 4.795 6.141 0.000) 7.791 4.524 ( 10.993 10.049 0.000) 14.894 4.560 ( 10.446 0.142 0.000) 10.447 4.629 ( 10.153 8.185 0.000) 13.041 4.710 ( 10.773 -3.416 0.000) 11.302 5.036 ( -14.769 1.078 0.000) 14.808 5.142 ( 19.387 -10.211 0.000) 21.911 5.328 ( 12.550 -0.745 0.000) 12.573 5.413 ( -9.830 -3.604 0.000) 10.470 5.634 ( 3.845 -1.316 0.000) 4.064 5.742 ( 4.105 -2.379 0.000) 4.744 6.200 ( -2.359 5.619 0.000) 6.093 6.298 ( 1.758 -0.986 0.000) 2.016 6.322 ( -6.248 -5.009 0.000) 8.009 6.714 ( -2.736 -9.676 0.000) 10.055 6.931 ( -5.916 5.743 0.000) 8.245 7.085 ( 1.061 0.992 0.000) 1.453 7.187 ( -10.601 -9.190 0.000) 14.030 7.496 ( -5.191 11.028 0.000) 12.189 7.544 ( -7.447 8.465 0.000) 11.275 7.733 ( 1.540 -2.005 0.000) 2.528 7.791 ( -14.432 -3.821 0.000) 14.929 8.186 ( -4.246 -6.026 0.000) 7.372 8.319 ( 4.042 -1.601 0.000) 4.347 8.572 ( -0.180 9.879 0.000) 9.880 8.873 ( 7.426 1.206 0.000) 7.523 9.006 ( 6.869 8.767 0.000) 11.137 9.434 ( 4.826 4.284 0.000) 6.453 10.012 ( 17.939 -2.350 0.000) 18.092 10.097 ( -5.015 -1.477 0.000) 5.229 10.137 ( -5.661 -4.133 0.000) 7.009 10.792 ( -4.403 3.271 0.000) 5.485 10.927 ( -0.085 -1.111 0.000) 1.114 10.964 ( -0.141 -2.286 0.000) 2.291 11.939 ( 3.865 0.196 0.000) 3.870 11.995 ( 5.034 -1.483 0.000) 5.248 12.264 ( 6.778 -2.815 0.000) 7.340 13.001 ( 5.757 -3.781 0.000) 6.888 13.031 ( -1.322 3.795 0.000) 4.019 13.610 ( -0.570 2.128 0.000) 2.203 13.933 ( 1.048 4.072 0.000) 4.204 14.081 ( -6.004 -4.278 0.000) 7.372 14.098 ( -2.233 6.728 0.000) 7.088 14.346 ( 4.081 -0.197 0.000) 4.086 14.364 ( -7.763 -7.207 0.000) 10.592 15.485 ( 14.176 -6.213 0.000) 15.478 15.925 ( 5.533 1.187 0.000) 5.658 16.334 ( -3.739 -1.612 0.000) 4.072 16.830 ( 6.057 1.743 0.000) 6.303 17.215 ( 5.251 -1.048 0.000) 5.354 17.276 ( 5.769 0.100 0.000) 5.770 17.523 ( 10.109 -0.905 0.000) 10.149 18.217 ( 5.565 3.852 0.000) 6.768 18.610 ( 0.006 1.018 0.000) 1.018 18.636 ( -5.515 -2.099 0.000) 5.902 19.716 ( -1.367 -0.387 0.000) 1.420 20.051 ( -7.719 1.527 0.000) 7.868 20.433 ( 5.298 1.440 0.000) 5.491 20.792 ( -0.109 11.402 0.000) 11.403 20.892 ( 0.779 15.849 0.000) 15.868 21.092 ( 2.251 -2.523 0.000) 3.381 21.343 ( -1.859 -13.765 0.000) 13.890 21.757 ( 1.856 11.690 0.000) 11.837 22.208 ( -4.351 -15.865 0.000) 16.451 22.758 ( -1.953 -0.378 0.000) 1.989 23.088 ( -2.602 -2.924 0.000) 3.914 24.679 ( 0.207 0.350 0.000) 0.407 25.001 ( -2.651 -0.988 0.000) 2.829 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -11.367 4.244 0.000) 12.134 2.198 ( -10.660 0.347 0.000) 10.666 2.401 ( 5.604 15.107 0.000) 16.113 2.446 ( 15.371 -3.702 0.000) 15.810 2.585 ( 5.275 -10.727 0.000) 11.954 3.017 ( -9.974 8.128 0.000) 12.866 3.457 ( 2.806 -0.151 0.000) 2.810 3.478 ( 7.544 -7.383 0.000) 10.556 3.893 ( -3.782 9.652 0.000) 10.367 4.223 ( 2.583 -0.355 0.000) 2.607 4.358 ( 9.163 5.196 0.000) 10.534 4.441 ( -8.000 13.673 0.000) 15.841 4.451 ( -7.076 5.097 0.000) 8.721 4.561 ( -9.430 8.462 0.000) 12.670 4.753 ( 10.934 5.270 0.000) 12.138 4.926 ( 2.839 6.004 0.000) 6.642 5.333 ( -5.316 -7.194 0.000) 8.945 5.509 ( 6.702 -1.786 0.000) 6.936 5.522 ( 9.716 -9.640 0.000) 13.687 5.685 ( -2.076 -0.819 0.000) 2.232 5.943 ( 13.374 -2.926 0.000) 13.691 6.026 ( -6.154 7.016 0.000) 9.333 6.358 ( 0.100 -8.376 0.000) 8.377 6.377 ( 4.446 0.439 0.000) 4.468 6.764 ( -5.800 4.166 0.000) 7.142 6.805 ( -3.260 -10.721 0.000) 11.205 7.040 ( -4.228 3.251 0.000) 5.334 7.171 ( -8.299 -10.389 0.000) 13.297 7.262 ( -1.409 10.652 0.000) 10.744 7.264 ( -12.120 6.816 0.000) 13.905 7.581 ( -13.734 -5.430 0.000) 14.769 7.851 ( 5.324 -0.979 0.000) 5.413 8.194 ( -7.542 -10.563 0.000) 12.979 8.401 ( -2.275 14.126 0.000) 14.308 8.408 ( 4.556 1.208 0.000) 4.713 8.982 ( 8.982 2.088 0.000) 9.222 8.996 ( 8.692 13.388 0.000) 15.962 9.409 ( 0.054 4.873 0.000) 4.874 9.992 ( -6.013 0.214 0.000) 6.017 10.107 ( -5.338 -5.868 0.000) 7.932 10.349 ( 15.881 -1.419 0.000) 15.944 10.746 ( 2.714 2.104 0.000) 3.434 10.946 ( 0.300 -1.461 0.000) 1.491 10.999 ( 0.867 -2.216 0.000) 2.379 12.040 ( 8.335 0.833 0.000) 8.376 12.145 ( 10.584 -0.656 0.000) 10.604 12.415 ( 5.704 -3.189 0.000) 6.535 12.936 ( -1.068 6.738 0.000) 6.822 13.182 ( 7.254 -7.092 0.000) 10.145 13.561 ( -2.936 0.900 0.000) 3.071 13.722 ( -4.697 14.848 0.000) 15.573 14.026 ( -6.744 -4.477 0.000) 8.094 14.165 ( 2.779 -6.861 0.000) 7.402 14.292 ( -8.504 -3.689 0.000) 9.270 14.439 ( 5.112 -1.213 0.000) 5.254 15.775 ( 10.610 -5.628 0.000) 12.010 15.981 ( 4.365 4.116 0.000) 5.999 16.350 ( 1.070 -4.887 0.000) 5.003 16.926 ( 10.477 5.452 0.000) 11.811 17.315 ( 5.288 -0.223 0.000) 5.292 17.405 ( 10.075 1.025 0.000) 10.127 17.733 ( 13.700 0.572 0.000) 13.712 18.220 ( 3.055 6.536 0.000) 7.214 18.581 ( -1.247 1.824 0.000) 2.210 18.597 ( -3.945 -3.929 0.000) 5.568 19.663 ( -5.045 0.920 0.000) 5.128 19.891 ( -10.544 -1.428 0.000) 10.641 20.452 ( 0.021 2.703 0.000) 2.703 20.569 ( -4.115 18.807 0.000) 19.252 20.675 ( -1.429 15.413 0.000) 15.479 21.111 ( -1.506 -1.795 0.000) 2.343 21.486 ( -0.788 -11.365 0.000) 11.393 21.727 ( 7.341 6.391 0.000) 9.733 22.363 ( -0.998 -14.835 0.000) 14.869 22.708 ( -4.606 -0.710 0.000) 4.660 23.079 ( -4.082 -4.836 0.000) 6.329 24.686 ( 1.127 0.466 0.000) 1.220 24.992 ( -0.957 -2.601 0.000) 2.771 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -20.780 2.242 0.000) 20.901 2.008 ( -10.467 -0.375 0.000) 10.473 2.306 ( 6.074 14.633 0.000) 15.844 2.368 ( -3.683 23.874 0.000) 24.156 2.779 ( 1.749 -4.340 0.000) 4.679 3.115 ( 9.747 -17.320 0.000) 19.874 3.373 ( -31.558 7.135 0.000) 32.354 3.379 ( -15.504 4.499 0.000) 16.143 3.704 ( 10.912 -1.350 0.000) 10.995 3.902 ( -8.530 16.069 0.000) 18.193 4.306 ( -3.409 18.082 0.000) 18.400 4.307 ( 3.605 7.795 0.000) 8.588 4.466 ( 8.280 0.406 0.000) 8.290 4.573 ( 10.497 -1.031 0.000) 10.548 4.735 ( -3.004 21.314 0.000) 21.525 4.792 ( 6.908 15.147 0.000) 16.648 5.362 ( 2.797 -0.967 0.000) 2.959 5.568 ( -9.143 -4.832 0.000) 10.341 5.693 ( 4.177 -0.897 0.000) 4.272 5.745 ( 2.572 -9.481 0.000) 9.824 5.837 ( -5.364 6.796 0.000) 8.658 6.112 ( 6.228 4.463 0.000) 7.662 6.419 ( 2.916 2.678 0.000) 3.959 6.469 ( 3.856 -0.474 0.000) 3.885 6.650 ( -6.516 -6.649 0.000) 9.310 6.798 ( -8.068 -1.685 0.000) 8.242 6.934 ( -2.535 0.828 0.000) 2.667 7.034 ( -12.294 -5.168 0.000) 13.336 7.162 ( -4.932 -7.899 0.000) 9.312 7.205 ( 1.185 2.469 0.000) 2.738 7.474 ( -8.833 -9.467 0.000) 12.948 7.908 ( 2.896 4.206 0.000) 5.107 8.157 ( -3.832 15.558 0.000) 16.023 8.189 ( -9.677 -12.460 0.000) 15.776 8.412 ( 1.288 6.321 0.000) 6.451 8.972 ( 8.981 14.294 0.000) 16.881 9.147 ( 11.165 -1.204 0.000) 11.230 9.350 ( -1.141 2.269 0.000) 2.540 9.873 ( -6.294 2.440 0.000) 6.751 10.110 ( -3.817 -7.288 0.000) 8.227 10.576 ( 11.233 2.252 0.000) 11.456 10.800 ( 4.882 0.982 0.000) 4.980 10.968 ( 0.749 -0.615 0.000) 0.969 11.045 ( 1.393 -1.795 0.000) 2.272 12.181 ( 9.623 2.078 0.000) 9.845 12.352 ( 13.098 0.341 0.000) 13.102 12.491 ( 1.866 2.258 0.000) 2.929 12.882 ( 1.906 1.379 0.000) 2.352 13.372 ( -0.143 -2.556 0.000) 2.560 13.475 ( -5.425 2.033 0.000) 5.794 13.501 ( 2.437 6.753 0.000) 7.179 13.978 ( -5.093 -4.369 0.000) 6.710 14.172 ( -8.294 -1.217 0.000) 8.383 14.305 ( 1.556 -8.339 0.000) 8.483 14.533 ( 4.013 -1.210 0.000) 4.191 15.974 ( 2.109 5.060 0.000) 5.482 15.977 ( 8.109 -1.751 0.000) 8.296 16.470 ( 3.680 -6.260 0.000) 7.261 17.042 ( 13.667 9.169 0.000) 16.458 17.387 ( 4.610 2.620 0.000) 5.303 17.583 ( 13.042 2.196 0.000) 13.225 17.956 ( 15.008 3.046 0.000) 15.314 18.178 ( 1.399 5.875 0.000) 6.039 18.523 ( -2.793 1.949 0.000) 3.406 18.573 ( -5.733 -4.172 0.000) 7.090 19.494 ( -10.634 5.707 0.000) 12.069 19.742 ( -12.470 -6.317 0.000) 13.979 20.218 ( -4.800 23.111 0.000) 23.604 20.377 ( -3.474 3.818 0.000) 5.162 20.499 ( -0.233 9.911 0.000) 9.914 21.112 ( -1.427 -2.149 0.000) 2.580 21.586 ( -0.837 -6.643 0.000) 6.695 21.803 ( 7.657 2.953 0.000) 8.207 22.534 ( 0.635 -12.783 0.000) 12.799 22.632 ( -5.191 -1.015 0.000) 5.290 23.079 ( -3.482 -5.899 0.000) 6.850 24.704 ( 1.335 0.036 0.000) 1.336 25.030 ( 0.449 -3.944 0.000) 3.970 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -26.102 3.358 0.000) 26.317 1.862 ( -9.137 -3.318 0.000) 9.721 1.983 ( -1.434 28.432 0.000) 28.468 2.253 ( 3.791 8.917 0.000) 9.689 2.508 ( -14.621 17.078 0.000) 22.482 2.838 ( -23.738 16.829 0.000) 29.098 3.078 ( -4.717 -0.763 0.000) 4.778 3.528 ( 8.618 -19.360 0.000) 21.191 3.705 ( 1.331 12.565 0.000) 12.635 3.784 ( 5.234 16.878 0.000) 17.671 3.960 ( -5.156 23.300 0.000) 23.864 4.292 ( 4.904 7.458 0.000) 8.926 4.453 ( -0.793 8.386 0.000) 8.424 4.562 ( -1.782 24.788 0.000) 24.852 4.679 ( 2.082 1.890 0.000) 2.812 4.683 ( 17.202 0.940 0.000) 17.227 5.376 ( -19.219 -3.378 0.000) 19.513 5.458 ( 8.311 3.969 0.000) 9.210 5.649 ( -1.015 11.296 0.000) 11.342 5.713 ( 1.471 5.344 0.000) 5.543 5.841 ( -4.164 -3.651 0.000) 5.538 6.057 ( -0.616 9.932 0.000) 9.951 6.440 ( 2.963 0.708 0.000) 3.046 6.514 ( 3.757 2.183 0.000) 4.345 6.689 ( -6.095 -6.833 0.000) 9.157 6.728 ( -2.407 -14.194 0.000) 14.396 6.926 ( 1.743 -0.407 0.000) 1.790 6.927 ( -11.118 -7.548 0.000) 13.438 7.109 ( -8.167 -2.592 0.000) 8.569 7.282 ( 4.255 -3.690 0.000) 5.632 7.519 ( -3.157 -12.387 0.000) 12.783 7.833 ( -1.217 9.994 0.000) 10.068 7.929 ( -1.665 10.856 0.000) 10.983 8.208 ( -6.571 -14.316 0.000) 15.752 8.311 ( -0.819 9.138 0.000) 9.174 8.937 ( 5.378 11.304 0.000) 12.518 9.319 ( 0.278 1.761 0.000) 1.782 9.368 ( 10.798 -2.887 0.000) 11.177 9.713 ( -6.799 5.549 0.000) 8.776 10.161 ( -1.820 -8.280 0.000) 8.478 10.671 ( 5.488 5.041 0.000) 7.452 10.863 ( 2.535 -0.424 0.000) 2.570 10.987 ( 1.467 0.535 0.000) 1.561 11.077 ( 0.348 -0.546 0.000) 0.647 12.252 ( 3.474 7.178 0.000) 7.974 12.490 ( 4.223 1.972 0.000) 4.661 12.560 ( 11.446 0.723 0.000) 11.469 12.944 ( 1.950 -4.091 0.000) 4.532 13.186 ( -7.058 8.473 0.000) 11.028 13.324 ( -6.160 5.999 0.000) 8.598 13.670 ( 6.982 -6.156 0.000) 9.309 13.972 ( -2.251 -4.776 0.000) 5.280 14.054 ( -6.646 -1.369 0.000) 6.785 14.427 ( 1.002 -7.438 0.000) 7.506 14.598 ( 2.248 -0.575 0.000) 2.320 15.939 ( 0.881 4.212 0.000) 4.303 16.113 ( 7.379 0.278 0.000) 7.385 16.598 ( 2.381 -5.237 0.000) 5.753 17.146 ( 13.565 11.840 0.000) 18.006 17.392 ( 2.724 6.888 0.000) 7.407 17.776 ( 12.247 2.480 0.000) 12.496 18.113 ( -3.087 3.221 0.000) 4.461 18.161 ( 13.926 3.457 0.000) 14.349 18.437 ( -4.437 2.023 0.000) 4.877 18.493 ( -8.063 -2.434 0.000) 8.422 19.175 ( -13.784 10.135 0.000) 17.109 19.634 ( -9.857 -5.970 0.000) 11.524 19.886 ( -1.411 18.648 0.000) 18.701 20.235 ( -2.661 10.474 0.000) 10.806 20.439 ( -0.302 -0.967 0.000) 1.013 21.110 ( -0.936 -0.695 0.000) 1.166 21.625 ( -0.667 -1.893 0.000) 2.007 21.893 ( 4.664 -0.137 0.000) 4.666 22.572 ( -3.235 -1.229 0.000) 3.460 22.697 ( 1.095 -10.506 0.000) 10.563 23.119 ( -1.141 -6.997 0.000) 7.089 24.728 ( 0.935 -0.747 0.000) 1.197 25.097 ( 0.842 -4.546 0.000) 4.624 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 9.253 0.000) 9.253 1.609 ( 0.000 30.539 0.000) 30.539 1.811 ( -0.000 -2.456 0.000) 2.456 2.039 ( 0.000 19.398 0.000) 19.398 2.368 ( -0.000 -5.380 0.000) 5.380 2.369 ( 0.000 20.027 0.000) 20.027 2.844 ( 0.000 34.778 0.000) 34.778 3.482 ( 0.000 21.052 0.000) 21.052 3.564 ( 0.000 23.952 0.000) 23.952 3.645 ( 0.000 9.345 0.000) 9.345 3.899 ( -0.000 -21.595 0.000) 21.595 4.154 ( 0.000 31.019 0.000) 31.019 4.266 ( 0.000 6.290 0.000) 6.290 4.459 ( -0.000 -2.705 0.000) 2.705 4.677 ( 0.000 0.290 0.000) 0.290 4.982 ( 0.000 3.318 0.000) 3.318 5.083 ( -0.000 -4.803 0.000) 4.803 5.395 ( 0.000 12.552 0.000) 12.552 5.588 ( 0.000 6.794 0.000) 6.794 5.647 ( 0.000 6.537 0.000) 6.537 5.763 ( 0.000 2.107 0.000) 2.107 5.906 ( 0.000 10.662 0.000) 10.662 6.452 ( 0.000 0.423 0.000) 0.423 6.509 ( 0.000 2.825 0.000) 2.825 6.842 ( -0.000 -1.499 0.000) 1.499 6.861 ( -0.000 -18.765 0.000) 18.765 6.862 ( -0.000 -8.113 0.000) 8.113 6.940 ( 0.000 6.573 0.000) 6.573 7.081 ( -0.000 -12.478 0.000) 12.478 7.362 ( -0.000 -3.062 0.000) 3.062 7.591 ( 0.000 3.641 0.000) 3.641 7.748 ( -0.000 -7.496 0.000) 7.496 7.814 ( 0.000 6.814 0.000) 6.814 8.188 ( 0.000 8.505 0.000) 8.505 8.343 ( -0.000 -15.002 0.000) 15.002 8.859 ( 0.000 8.577 0.000) 8.577 9.302 ( 0.000 1.978 0.000) 1.978 9.474 ( 0.000 14.751 0.000) 14.751 9.581 ( -0.000 -6.992 0.000) 6.992 10.248 ( -0.000 -7.924 0.000) 7.924 10.645 ( 0.000 5.915 0.000) 5.915 10.891 ( -0.000 -0.800 0.000) 0.800 10.996 ( 0.000 0.926 0.000) 0.926 11.074 ( 0.000 0.405 0.000) 0.405 12.159 ( 0.000 9.451 0.000) 9.451 12.545 ( -0.000 -0.707 0.000) 0.707 12.666 ( 0.000 0.902 0.000) 0.902 13.014 ( -0.000 -2.213 0.000) 2.213 13.017 ( 0.000 6.420 0.000) 6.420 13.167 ( 0.000 6.065 0.000) 6.065 13.797 ( -0.000 -4.011 0.000) 4.011 14.015 ( -0.000 -4.603 0.000) 4.603 14.022 ( -0.000 -3.002 0.000) 3.002 14.518 ( -0.000 -5.574 0.000) 5.574 14.619 ( 0.000 0.570 0.000) 0.570 15.902 ( 0.000 2.848 0.000) 2.848 16.198 ( -0.000 -0.083 0.000) 0.083 16.669 ( -0.000 -2.773 0.000) 2.773 17.140 ( 0.000 12.098 0.000) 12.098 17.311 ( 0.000 8.723 0.000) 8.723 17.874 ( 0.000 1.962 0.000) 1.962 18.020 ( 0.000 1.912 0.000) 1.912 18.296 ( 0.000 0.575 0.000) 0.575 18.347 ( 0.000 2.901 0.000) 2.901 18.417 ( 0.000 0.633 0.000) 0.633 18.879 ( 0.000 10.675 0.000) 10.675 19.499 ( 0.000 13.795 0.000) 13.795 19.800 ( -0.000 -6.941 0.000) 6.941 20.060 ( 0.000 12.425 0.000) 12.425 20.484 ( -0.000 -5.557 0.000) 5.557 21.097 ( 0.000 1.534 0.000) 1.534 21.617 ( 0.000 2.120 0.000) 2.120 21.953 ( -0.000 -2.678 0.000) 2.678 22.559 ( -0.000 -1.032 0.000) 1.032 22.818 ( -0.000 -6.895 0.000) 6.895 23.213 ( -0.000 -8.508 0.000) 8.508 24.750 ( -0.000 -1.317 0.000) 1.317 25.162 ( -0.000 -4.285 0.000) 4.285 ======================= Grid point 30 (20/75) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -12.135 0.000 0.000) 12.135 2.151 ( -10.908 0.000 0.000) 10.908 2.334 ( 18.635 -0.000 0.000) 18.635 2.400 ( 3.674 -0.000 0.000) 3.674 2.767 ( 12.857 -0.000 0.000) 12.857 3.168 ( -5.735 0.000 0.000) 5.735 3.292 ( 3.239 -0.000 0.000) 3.239 3.507 ( -6.114 0.000 0.000) 6.114 4.057 ( 12.655 -0.000 0.000) 12.655 4.124 ( 14.715 -0.000 0.000) 14.715 4.481 ( -38.841 0.000 0.000) 38.841 4.492 ( 5.410 -0.000 0.000) 5.410 4.633 ( -5.562 0.000 0.000) 5.562 4.747 ( 4.645 -0.000 0.000) 4.645 4.897 ( 12.696 -0.000 0.000) 12.696 4.904 ( 14.187 -0.000 0.000) 14.187 5.091 ( -9.087 0.000 0.000) 9.087 5.426 ( 11.092 -0.000 0.000) 11.092 5.508 ( 1.491 -0.000 0.000) 1.491 5.752 ( -3.205 0.000 0.000) 3.205 5.820 ( 17.763 -0.000 0.000) 17.763 6.133 ( -7.461 0.000 0.000) 7.461 6.228 ( 1.952 -0.000 0.000) 1.952 6.387 ( 6.632 -0.000 0.000) 6.632 6.626 ( -0.471 0.000 0.000) 0.471 6.903 ( -5.900 0.000 0.000) 5.900 6.957 ( -5.551 0.000 0.000) 5.551 7.086 ( -2.418 0.000 0.000) 2.418 7.434 ( -13.196 0.000 0.000) 13.196 7.458 ( -15.696 0.000 0.000) 15.696 7.498 ( -4.550 0.000 0.000) 4.550 7.835 ( 8.026 -0.000 0.000) 8.026 7.989 ( -11.143 0.000 0.000) 11.143 8.421 ( 7.395 -0.000 0.000) 7.395 8.613 ( -2.345 0.000 0.000) 2.345 8.997 ( 6.431 -0.000 0.000) 6.431 9.152 ( 5.144 -0.000 0.000) 5.144 9.533 ( 1.418 -0.000 0.000) 1.418 9.986 ( -6.045 0.000 0.000) 6.045 9.999 ( -6.492 0.000 0.000) 6.492 10.327 ( 18.797 -0.000 0.000) 18.797 10.785 ( 2.158 -0.000 0.000) 2.158 10.924 ( 0.525 -0.000 0.000) 0.525 10.959 ( 0.947 -0.000 0.000) 0.947 12.053 ( 8.990 -0.000 0.000) 8.990 12.134 ( 11.689 -0.000 0.000) 11.689 12.364 ( 6.845 -0.000 0.000) 6.845 13.035 ( -1.479 0.000 0.000) 1.479 13.090 ( 7.404 -0.000 0.000) 7.404 13.585 ( -3.783 0.000 0.000) 3.783 13.948 ( -6.107 0.000 0.000) 6.107 13.981 ( -1.636 0.000 0.000) 1.636 14.103 ( -3.156 0.000 0.000) 3.156 14.151 ( -7.501 0.000 0.000) 7.501 14.420 ( 4.688 -0.000 0.000) 4.688 15.687 ( 13.150 -0.000 0.000) 13.150 16.051 ( 7.516 -0.000 0.000) 7.516 16.271 ( -2.079 0.000 0.000) 2.079 17.000 ( 12.425 -0.000 0.000) 12.425 17.306 ( 5.931 -0.000 0.000) 5.931 17.418 ( 10.542 -0.000 0.000) 10.542 17.736 ( 14.854 -0.000 0.000) 14.854 18.323 ( 3.291 -0.000 0.000) 3.291 18.537 ( -4.139 0.000 0.000) 4.139 18.607 ( -1.182 0.000 0.000) 1.182 19.673 ( -3.263 0.000 0.000) 3.263 19.873 ( -13.074 0.000 0.000) 13.074 20.482 ( -0.637 0.000 0.000) 0.637 20.856 ( -0.909 0.000 0.000) 0.909 21.092 ( -1.551 0.000 0.000) 1.551 21.109 ( 3.432 -0.000 0.000) 3.432 21.119 ( -4.703 0.000 0.000) 4.703 21.908 ( 2.359 -0.000 0.000) 2.359 22.039 ( 1.686 -0.000 0.000) 1.686 22.698 ( -4.721 0.000 0.000) 4.721 23.007 ( -4.528 0.000 0.000) 4.528 24.695 ( 1.262 -0.000 0.000) 1.262 24.954 ( -1.821 0.000 0.000) 1.821 ======================= Grid point 31 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -20.544 2.212 0.000) 20.663 1.944 ( -15.930 -3.052 0.000) 16.220 2.542 ( 5.515 -7.371 0.000) 9.206 2.654 ( 14.407 -5.380 0.000) 15.379 2.848 ( 12.542 22.133 0.000) 25.439 2.970 ( -8.144 10.442 0.000) 13.243 3.402 ( -5.510 -10.769 0.000) 12.096 3.411 ( -7.397 -1.581 0.000) 7.564 3.787 ( -20.332 9.891 0.000) 22.610 4.273 ( -13.290 10.882 0.000) 17.177 4.305 ( 5.516 -6.326 0.000) 8.393 4.411 ( 4.322 -0.509 0.000) 4.352 4.573 ( 9.202 2.306 0.000) 9.487 4.737 ( 2.538 10.163 0.000) 10.475 5.024 ( 12.299 5.020 0.000) 13.284 5.077 ( 4.291 2.665 0.000) 5.051 5.228 ( 6.973 -10.386 0.000) 12.510 5.509 ( -3.229 -1.032 0.000) 3.390 5.548 ( 1.814 -1.348 0.000) 2.260 5.642 ( -0.663 1.016 0.000) 1.213 5.990 ( -5.822 3.584 0.000) 6.837 6.116 ( 11.956 -2.818 0.000) 12.283 6.351 ( 6.314 -3.653 0.000) 7.295 6.478 ( 5.057 1.696 0.000) 5.334 6.667 ( -0.483 -5.755 0.000) 5.776 6.725 ( -7.366 6.389 0.000) 9.751 6.953 ( -3.543 -4.136 0.000) 5.446 7.011 ( -4.033 0.210 0.000) 4.039 7.109 ( -16.149 6.751 0.000) 17.504 7.280 ( -12.410 -5.959 0.000) 13.766 7.366 ( -1.269 8.588 0.000) 8.681 7.863 ( -13.186 -11.903 0.000) 17.764 7.982 ( 9.162 1.483 0.000) 9.281 8.497 ( -4.167 9.075 0.000) 9.986 8.529 ( 6.145 2.553 0.000) 6.654 9.106 ( 5.730 -1.732 0.000) 5.986 9.214 ( 5.120 3.301 0.000) 6.092 9.467 ( -2.462 6.976 0.000) 7.398 9.890 ( -5.518 -0.256 0.000) 5.524 9.936 ( -5.510 -5.847 0.000) 8.034 10.611 ( 14.322 0.646 0.000) 14.336 10.843 ( 4.433 1.782 0.000) 4.777 10.951 ( 2.355 -0.401 0.000) 2.389 10.991 ( 1.507 -2.080 0.000) 2.569 12.224 ( 11.414 1.190 0.000) 11.476 12.360 ( 14.237 0.194 0.000) 14.238 12.480 ( 5.097 -1.394 0.000) 5.284 12.975 ( -2.690 3.419 0.000) 4.350 13.242 ( 7.525 -3.389 0.000) 8.253 13.504 ( -4.661 0.636 0.000) 4.704 13.784 ( -7.637 10.550 0.000) 13.024 13.874 ( -5.037 -3.023 0.000) 5.875 14.076 ( -8.805 -5.742 0.000) 10.512 14.138 ( 2.250 -4.038 0.000) 4.622 14.499 ( 3.732 -1.009 0.000) 3.866 15.898 ( 9.299 -2.570 0.000) 9.648 16.119 ( 3.986 6.034 0.000) 7.231 16.305 ( 1.839 -6.400 0.000) 6.659 17.231 ( 17.260 4.724 0.000) 17.895 17.406 ( 5.574 -0.488 0.000) 5.595 17.620 ( 13.318 0.702 0.000) 13.337 17.996 ( 15.348 0.577 0.000) 15.358 18.314 ( -0.899 4.024 0.000) 4.123 18.497 ( -2.972 -2.084 0.000) 3.630 18.567 ( -2.794 1.098 0.000) 3.002 19.597 ( -4.897 2.055 0.000) 5.311 19.643 ( -14.561 -1.847 0.000) 14.678 20.417 ( -5.677 0.982 0.000) 5.761 20.741 ( -1.912 14.883 0.000) 15.005 20.883 ( 0.049 17.385 0.000) 17.385 21.057 ( -2.470 -1.802 0.000) 3.057 21.315 ( 0.036 -14.398 0.000) 14.398 21.905 ( 4.510 4.612 0.000) 6.451 22.191 ( 2.041 -12.159 0.000) 12.329 22.610 ( -5.541 -0.538 0.000) 5.567 22.949 ( -4.543 -3.460 0.000) 5.711 24.716 ( 1.450 0.600 0.000) 1.569 24.946 ( -0.738 -2.225 0.000) 2.344 ======================= Grid point 32 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -20.808 4.302 0.000) 21.248 1.732 ( -13.923 -6.198 0.000) 15.240 2.637 ( -0.291 22.734 0.000) 22.736 2.697 ( 6.294 20.645 0.000) 21.583 2.734 ( 1.996 -6.360 0.000) 6.666 3.013 ( 5.239 -17.160 0.000) 17.942 3.026 ( -18.278 11.806 0.000) 21.760 3.170 ( -15.896 7.555 0.000) 17.600 3.863 ( 12.236 -6.861 0.000) 14.028 3.989 ( -2.324 8.322 0.000) 8.640 4.353 ( -5.492 4.708 0.000) 7.234 4.420 ( 1.692 4.906 0.000) 5.189 4.677 ( 8.338 7.548 0.000) 11.247 4.711 ( 5.571 0.983 0.000) 5.657 4.973 ( -2.950 11.899 0.000) 12.259 5.111 ( 7.090 15.386 0.000) 16.941 5.351 ( -9.214 5.657 0.000) 10.812 5.469 ( 9.159 -5.478 0.000) 10.672 5.597 ( -0.051 -9.363 0.000) 9.363 5.782 ( 8.784 -1.002 0.000) 8.841 5.867 ( -2.307 5.155 0.000) 5.648 6.245 ( 3.613 3.848 0.000) 5.279 6.396 ( -9.836 -7.433 0.000) 12.329 6.510 ( 2.650 3.702 0.000) 4.553 6.600 ( 4.573 4.499 0.000) 6.416 6.678 ( -6.278 2.124 0.000) 6.628 6.785 ( -11.328 -1.486 0.000) 11.425 6.904 ( -2.120 0.098 0.000) 2.122 7.023 ( -0.865 -5.199 0.000) 5.270 7.219 ( -5.778 -9.747 0.000) 11.331 7.304 ( 2.994 4.371 0.000) 5.298 7.824 ( -10.885 -15.544 0.000) 18.976 8.066 ( 6.595 7.453 0.000) 9.952 8.270 ( -5.155 13.369 0.000) 14.328 8.537 ( 2.293 7.811 0.000) 8.140 9.229 ( 4.254 9.283 0.000) 10.211 9.245 ( 5.369 -5.393 0.000) 7.610 9.350 ( -2.035 2.393 0.000) 3.141 9.802 ( -4.209 1.360 0.000) 4.424 9.951 ( -3.023 -8.115 0.000) 8.660 10.775 ( 7.354 3.005 0.000) 7.944 10.873 ( 1.603 1.000 0.000) 1.889 10.990 ( 1.629 -0.140 0.000) 1.635 11.055 ( 2.459 -1.164 0.000) 2.721 12.382 ( 9.374 3.436 0.000) 9.984 12.539 ( 1.100 1.096 0.000) 1.553 12.582 ( 11.744 0.804 0.000) 11.771 12.900 ( -1.832 0.482 0.000) 1.894 13.345 ( -2.092 2.012 0.000) 2.903 13.419 ( -3.590 1.799 0.000) 4.015 13.606 ( 2.171 2.772 0.000) 3.521 13.853 ( -2.820 -4.286 0.000) 5.130 13.986 ( -8.294 -3.753 0.000) 9.104 14.237 ( 1.268 -6.654 0.000) 6.773 14.565 ( 2.000 -1.638 0.000) 2.585 16.055 ( 4.870 -3.253 0.000) 5.856 16.077 ( 1.239 6.516 0.000) 6.633 16.436 ( 2.259 -7.251 0.000) 7.595 17.399 ( 9.315 6.509 0.000) 11.364 17.533 ( 12.476 4.673 0.000) 13.323 17.826 ( 11.580 1.412 0.000) 11.666 18.201 ( -7.039 3.517 0.000) 7.868 18.215 ( 11.032 1.093 0.000) 11.086 18.463 ( -2.801 -0.510 0.000) 2.847 18.489 ( -3.910 1.808 0.000) 4.308 19.434 ( -6.545 8.538 0.000) 10.758 19.467 ( -9.859 -4.837 0.000) 10.982 20.313 ( -4.416 0.004 0.000) 4.416 20.463 ( -1.587 22.764 0.000) 22.819 20.683 ( 0.601 15.883 0.000) 15.895 21.060 ( -1.008 -2.797 0.000) 2.974 21.469 ( -0.230 -10.476 0.000) 10.478 21.934 ( 3.395 2.574 0.000) 4.261 22.377 ( 0.907 -13.491 0.000) 13.521 22.539 ( -3.650 -1.150 0.000) 3.827 22.948 ( -2.546 -6.134 0.000) 6.642 24.727 ( 0.847 0.623 0.000) 1.051 24.982 ( 0.079 -4.191 0.000) 4.192 ======================= Grid point 33 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 6.325 0.000) 6.325 1.689 ( -0.000 -6.746 0.000) 6.746 2.333 ( 0.000 26.832 0.000) 26.832 2.527 ( 0.000 17.809 0.000) 17.809 2.560 ( 0.000 19.284 0.000) 19.284 2.827 ( 0.000 15.509 0.000) 15.509 2.958 ( -0.000 -11.619 0.000) 11.619 3.329 ( -0.000 -22.076 0.000) 22.076 3.873 ( 0.000 10.814 0.000) 10.814 4.076 ( 0.000 2.409 0.000) 2.409 4.090 ( 0.000 16.611 0.000) 16.611 4.391 ( 0.000 2.872 0.000) 2.872 4.600 ( 0.000 19.625 0.000) 19.625 4.726 ( 0.000 2.835 0.000) 2.835 4.881 ( 0.000 25.695 0.000) 25.695 4.949 ( -0.000 -5.440 0.000) 5.440 5.100 ( 0.000 9.517 0.000) 9.517 5.639 ( 0.000 4.434 0.000) 4.434 5.661 ( -0.000 -5.908 0.000) 5.908 5.801 ( 0.000 2.699 0.000) 2.699 5.806 ( 0.000 6.544 0.000) 6.544 6.177 ( 0.000 9.330 0.000) 9.330 6.477 ( -0.000 -18.493 0.000) 18.493 6.510 ( 0.000 3.539 0.000) 3.539 6.524 ( -0.000 -3.206 0.000) 3.206 6.604 ( 0.000 4.306 0.000) 4.306 6.764 ( -0.000 -4.232 0.000) 4.232 6.909 ( -0.000 -3.463 0.000) 3.463 7.049 ( 0.000 0.197 0.000) 0.197 7.310 ( 0.000 0.779 0.000) 0.779 7.319 ( -0.000 -13.056 0.000) 13.056 7.932 ( -0.000 -17.395 0.000) 17.395 8.001 ( 0.000 14.469 0.000) 14.469 8.045 ( 0.000 10.879 0.000) 10.879 8.433 ( 0.000 10.425 0.000) 10.425 9.122 ( 0.000 11.754 0.000) 11.754 9.334 ( 0.000 0.258 0.000) 0.258 9.390 ( -0.000 -7.941 0.000) 7.941 9.718 ( 0.000 5.262 0.000) 5.262 10.034 ( -0.000 -8.909 0.000) 8.909 10.785 ( 0.000 4.872 0.000) 4.872 10.880 ( 0.000 0.129 0.000) 0.129 11.007 ( -0.000 -0.122 0.000) 0.122 11.080 ( 0.000 0.088 0.000) 0.088 12.388 ( 0.000 8.237 0.000) 8.237 12.536 ( 0.000 0.049 0.000) 0.049 12.688 ( 0.000 0.785 0.000) 0.785 12.910 ( -0.000 -3.234 0.000) 3.234 13.208 ( 0.000 8.105 0.000) 8.105 13.343 ( 0.000 4.785 0.000) 4.785 13.694 ( -0.000 -3.868 0.000) 3.868 13.888 ( -0.000 -5.124 0.000) 5.124 13.938 ( -0.000 -3.425 0.000) 3.425 14.340 ( -0.000 -7.808 0.000) 7.808 14.603 ( -0.000 -1.527 0.000) 1.527 16.010 ( 0.000 5.682 0.000) 5.682 16.141 ( -0.000 -3.543 0.000) 3.543 16.544 ( -0.000 -6.679 0.000) 6.679 17.403 ( 0.000 6.129 0.000) 6.129 17.570 ( 0.000 12.684 0.000) 12.684 17.921 ( 0.000 1.671 0.000) 1.671 18.065 ( 0.000 1.529 0.000) 1.529 18.310 ( 0.000 0.507 0.000) 0.507 18.418 ( 0.000 2.491 0.000) 2.491 18.434 ( 0.000 0.689 0.000) 0.689 19.212 ( 0.000 14.027 0.000) 14.027 19.458 ( -0.000 -7.257 0.000) 7.257 20.152 ( 0.000 24.022 0.000) 24.022 20.278 ( 0.000 0.829 0.000) 0.829 20.508 ( 0.000 11.762 0.000) 11.762 21.083 ( -0.000 -2.170 0.000) 2.170 21.570 ( -0.000 -6.120 0.000) 6.120 21.939 ( 0.000 1.400 0.000) 1.400 22.525 ( -0.000 -1.510 0.000) 1.510 22.554 ( -0.000 -13.297 0.000) 13.297 23.013 ( -0.000 -7.440 0.000) 7.440 24.731 ( -0.000 -0.088 0.000) 0.088 25.043 ( -0.000 -4.948 0.000) 4.948 ======================= Grid point 40 (24/75) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -15.331 0.000 0.000) 15.331 1.603 ( -18.984 0.000 0.000) 18.984 2.566 ( 3.009 -0.000 0.000) 3.009 2.769 ( 4.316 -0.000 0.000) 4.316 2.987 ( -0.374 0.000 0.000) 0.374 3.050 ( -16.002 0.000 0.000) 16.002 3.236 ( -9.750 0.000 0.000) 9.750 3.351 ( 17.132 -0.000 0.000) 17.132 3.617 ( -3.907 0.000 0.000) 3.907 4.076 ( -10.362 0.000 0.000) 10.362 4.369 ( 3.545 -0.000 0.000) 3.545 4.549 ( 4.912 -0.000 0.000) 4.912 4.720 ( 6.425 -0.000 0.000) 6.425 4.827 ( 0.286 -0.000 0.000) 0.286 5.015 ( -9.396 0.000 0.000) 9.396 5.171 ( 4.707 -0.000 0.000) 4.707 5.384 ( 14.806 -0.000 0.000) 14.806 5.483 ( -0.416 0.000 0.000) 0.416 5.548 ( -1.555 0.000 0.000) 1.555 5.765 ( 13.762 -0.000 0.000) 13.762 5.928 ( -3.386 0.000 0.000) 3.386 6.277 ( 7.948 -0.000 0.000) 7.948 6.337 ( -8.539 0.000 0.000) 8.539 6.564 ( 3.307 -0.000 0.000) 3.307 6.641 ( 0.927 -0.000 0.000) 0.927 6.693 ( 0.696 -0.000 0.000) 0.696 6.869 ( -16.610 0.000 0.000) 16.610 6.921 ( 1.637 -0.000 0.000) 1.637 6.944 ( -4.250 0.000 0.000) 4.250 7.071 ( -6.534 0.000 0.000) 6.534 7.408 ( -0.932 0.000 0.000) 0.932 7.543 ( -11.678 0.000 0.000) 11.678 8.167 ( 10.316 -0.000 0.000) 10.316 8.464 ( -6.680 0.000 0.000) 6.680 8.645 ( 4.472 -0.000 0.000) 4.472 9.161 ( 2.925 -0.000 0.000) 2.925 9.289 ( 2.479 -0.000 0.000) 2.479 9.474 ( -2.513 0.000 0.000) 2.513 9.811 ( -3.419 0.000 0.000) 3.419 9.812 ( -3.562 0.000 0.000) 3.562 10.813 ( 8.198 -0.000 0.000) 8.198 10.891 ( 0.660 -0.000 0.000) 0.660 10.989 ( 0.568 -0.000 0.000) 0.568 11.034 ( 5.011 -0.000 0.000) 5.011 12.430 ( 10.939 -0.000 0.000) 10.939 12.542 ( 2.910 -0.000 0.000) 2.910 12.593 ( 11.723 -0.000 0.000) 11.723 12.919 ( -5.750 0.000 0.000) 5.750 13.342 ( 5.978 -0.000 0.000) 5.978 13.438 ( -3.098 0.000 0.000) 3.098 13.698 ( -9.184 0.000 0.000) 9.184 13.792 ( -2.508 0.000 0.000) 2.508 13.912 ( -5.475 0.000 0.000) 5.475 14.145 ( 1.484 -0.000 0.000) 1.484 14.541 ( 1.927 -0.000 0.000) 1.927 16.007 ( 5.082 -0.000 0.000) 5.082 16.240 ( -0.210 0.000 0.000) 0.210 16.263 ( 3.757 -0.000 0.000) 3.757 17.471 ( 2.922 -0.000 0.000) 2.922 17.600 ( 20.750 -0.000 0.000) 20.750 17.844 ( 11.444 -0.000 0.000) 11.444 18.227 ( 10.468 -0.000 0.000) 10.468 18.254 ( -9.200 0.000 0.000) 9.200 18.457 ( -0.861 0.000 0.000) 0.861 18.513 ( -3.996 0.000 0.000) 3.996 19.407 ( -10.397 0.000 0.000) 10.397 19.543 ( -3.319 0.000 0.000) 3.319 20.319 ( -5.507 0.000 0.000) 5.507 20.832 ( -0.414 0.000 0.000) 0.414 20.991 ( -2.316 0.000 0.000) 2.316 21.043 ( -0.400 0.000 0.000) 0.400 21.180 ( 0.899 -0.000 0.000) 0.899 21.971 ( 1.024 -0.000 0.000) 1.024 22.166 ( 3.152 -0.000 0.000) 3.152 22.524 ( -3.806 0.000 0.000) 3.806 22.859 ( -2.918 0.000 0.000) 2.918 24.743 ( 1.020 -0.000 0.000) 1.020 24.920 ( -0.392 0.000 0.000) 0.392 ======================= Grid point 42 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 7.196 0.000) 7.196 1.499 ( -0.000 -7.964 0.000) 7.964 2.642 ( -0.000 -7.721 0.000) 7.721 2.822 ( 0.000 1.111 0.000) 1.111 2.857 ( 0.000 7.373 0.000) 7.373 2.945 ( 0.000 2.292 0.000) 2.292 3.102 ( 0.000 5.824 0.000) 5.824 3.222 ( 0.000 27.766 0.000) 27.766 3.831 ( -0.000 -18.087 0.000) 18.087 4.002 ( -0.000 -0.367 0.000) 0.367 4.359 ( 0.000 5.010 0.000) 5.010 4.524 ( 0.000 8.110 0.000) 8.110 4.772 ( 0.000 0.775 0.000) 0.775 4.843 ( -0.000 -2.418 0.000) 2.418 4.892 ( 0.000 3.607 0.000) 3.607 5.320 ( -0.000 -14.454 0.000) 14.454 5.388 ( 0.000 14.353 0.000) 14.353 5.436 ( 0.000 8.140 0.000) 8.140 5.611 ( -0.000 -4.679 0.000) 4.679 5.889 ( 0.000 2.184 0.000) 2.184 5.951 ( 0.000 3.923 0.000) 3.923 6.171 ( -0.000 -3.067 0.000) 3.067 6.331 ( 0.000 2.891 0.000) 2.891 6.588 ( 0.000 2.004 0.000) 2.004 6.646 ( 0.000 6.852 0.000) 6.852 6.668 ( -0.000 -2.616 0.000) 2.616 6.704 ( 0.000 3.114 0.000) 3.114 6.882 ( 0.000 1.574 0.000) 1.574 6.968 ( -0.000 -3.890 0.000) 3.890 7.061 ( -0.000 -6.822 0.000) 6.822 7.383 ( 0.000 2.682 0.000) 2.682 7.522 ( -0.000 -12.905 0.000) 12.905 8.287 ( 0.000 6.489 0.000) 6.489 8.290 ( 0.000 6.909 0.000) 6.909 8.650 ( 0.000 5.447 0.000) 5.447 9.218 ( -0.000 -4.687 0.000) 4.687 9.318 ( -0.000 -0.990 0.000) 0.990 9.393 ( 0.000 8.219 0.000) 8.219 9.778 ( 0.000 0.521 0.000) 0.521 9.827 ( -0.000 -6.545 0.000) 6.545 10.872 ( 0.000 1.846 0.000) 1.846 10.892 ( 0.000 0.515 0.000) 0.515 10.997 ( -0.000 -0.456 0.000) 0.456 11.080 ( -0.000 -0.036 0.000) 0.036 12.543 ( 0.000 3.620 0.000) 3.620 12.544 ( 0.000 0.359 0.000) 0.359 12.703 ( 0.000 0.329 0.000) 0.329 12.856 ( -0.000 -1.228 0.000) 1.228 13.373 ( 0.000 4.058 0.000) 4.058 13.406 ( 0.000 0.879 0.000) 0.879 13.620 ( -0.000 -1.784 0.000) 1.784 13.786 ( -0.000 -2.445 0.000) 2.445 13.870 ( -0.000 -1.624 0.000) 1.624 14.182 ( -0.000 -3.770 0.000) 3.770 14.564 ( -0.000 -1.106 0.000) 1.106 16.063 ( -0.000 -1.990 0.000) 1.990 16.172 ( 0.000 6.846 0.000) 6.846 16.365 ( -0.000 -7.164 0.000) 7.164 17.487 ( 0.000 1.434 0.000) 1.434 17.825 ( 0.000 5.847 0.000) 5.847 17.951 ( 0.000 0.642 0.000) 0.642 18.092 ( 0.000 0.548 0.000) 0.548 18.320 ( 0.000 0.204 0.000) 0.204 18.448 ( 0.000 0.320 0.000) 0.320 18.463 ( 0.000 0.977 0.000) 0.977 19.331 ( -0.000 -2.609 0.000) 2.609 19.476 ( 0.000 5.719 0.000) 5.719 20.268 ( -0.000 -0.113 0.000) 0.113 20.704 ( 0.000 16.790 0.000) 16.790 20.891 ( 0.000 16.096 0.000) 16.096 21.009 ( -0.000 -3.793 0.000) 3.793 21.319 ( -0.000 -13.134 0.000) 13.134 21.980 ( 0.000 0.574 0.000) 0.574 22.246 ( -0.000 -8.265 0.000) 8.265 22.494 ( -0.000 -0.717 0.000) 0.717 22.859 ( -0.000 -3.922 0.000) 3.922 24.745 ( 0.000 0.884 0.000) 0.884 24.936 ( -0.000 -2.904 0.000) 2.904 ======================= Grid point 83 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 0.000 0.000 17.326) 17.326 0.750 ( 0.000 0.000 34.815) 34.815 1.196 ( 0.000 0.000 -21.640) 21.640 1.435 ( 0.000 0.000 64.278) 64.278 1.755 ( 0.000 0.000 6.596) 6.596 1.925 ( 0.000 0.000 6.309) 6.309 2.102 ( 0.000 0.000 -24.965) 24.965 2.815 ( 0.000 0.000 2.781) 2.781 3.058 ( 0.000 0.000 -4.301) 4.301 3.216 ( 0.000 0.000 -8.089) 8.089 3.252 ( 0.000 0.000 9.597) 9.597 3.871 ( 0.000 0.000 -26.982) 26.982 4.351 ( 0.000 0.000 -6.633) 6.633 4.362 ( 0.000 0.000 -10.715) 10.715 5.042 ( 0.000 0.000 6.050) 6.050 5.067 ( 0.000 0.000 16.222) 16.222 5.232 ( 0.000 0.000 0.611) 0.611 5.299 ( 0.000 0.000 -2.350) 2.350 5.383 ( 0.000 0.000 12.483) 12.483 5.426 ( 0.000 0.000 -10.613) 10.613 5.909 ( 0.000 0.000 4.817) 4.817 5.939 ( 0.000 0.000 12.719) 12.719 6.409 ( 0.000 0.000 -7.498) 7.498 6.546 ( 0.000 0.000 1.567) 1.567 6.642 ( 0.000 0.000 -2.701) 2.701 6.688 ( 0.000 0.000 -20.028) 20.028 6.883 ( 0.000 0.000 5.654) 5.654 7.208 ( 0.000 0.000 1.733) 1.733 7.235 ( 0.000 0.000 -11.136) 11.136 7.444 ( 0.000 0.000 -5.898) 5.898 7.774 ( 0.000 0.000 11.925) 11.925 7.944 ( 0.000 0.000 0.674) 0.674 7.958 ( 0.000 0.000 17.031) 17.031 8.569 ( 0.000 0.000 -8.694) 8.694 8.589 ( 0.000 0.000 1.015) 1.015 8.598 ( 0.000 0.000 0.211) 0.211 8.651 ( 0.000 0.000 0.294) 0.294 8.744 ( 0.000 0.000 -2.757) 2.757 9.833 ( 0.000 0.000 4.495) 4.495 10.196 ( 0.000 0.000 -11.988) 11.988 10.445 ( 0.000 0.000 7.087) 7.087 10.718 ( 0.000 0.000 10.707) 10.707 10.803 ( 0.000 0.000 -6.030) 6.030 11.019 ( 0.000 0.000 -3.407) 3.407 11.957 ( 0.000 0.000 7.927) 7.927 12.491 ( 0.000 0.000 -14.573) 14.573 12.582 ( 0.000 0.000 0.807) 0.807 12.628 ( 0.000 0.000 -0.900) 0.900 13.011 ( 0.000 0.000 6.292) 6.292 13.134 ( 0.000 0.000 -0.810) 0.810 14.106 ( 0.000 0.000 0.511) 0.511 14.132 ( 0.000 0.000 -0.471) 0.471 14.548 ( 0.000 0.000 1.333) 1.333 14.559 ( 0.000 0.000 4.047) 4.047 14.602 ( 0.000 0.000 -0.680) 0.680 14.758 ( 0.000 0.000 -3.383) 3.383 16.426 ( 0.000 0.000 3.961) 3.961 16.623 ( 0.000 0.000 -2.968) 2.968 16.907 ( 0.000 0.000 0.570) 0.570 16.972 ( 0.000 0.000 -1.518) 1.518 17.832 ( 0.000 0.000 1.614) 1.614 17.933 ( 0.000 0.000 -2.307) 2.307 18.303 ( 0.000 0.000 1.969) 1.969 18.386 ( 0.000 0.000 -1.270) 1.270 18.763 ( 0.000 0.000 3.503) 3.503 18.990 ( 0.000 0.000 -5.641) 5.641 19.452 ( 0.000 0.000 6.310) 6.310 19.728 ( 0.000 0.000 -4.654) 4.654 20.490 ( 0.000 0.000 1.567) 1.567 20.590 ( 0.000 0.000 -2.438) 2.438 20.800 ( 0.000 0.000 2.345) 2.345 20.896 ( 0.000 0.000 -1.505) 1.505 22.599 ( 0.000 0.000 2.138) 2.138 22.728 ( 0.000 0.000 -2.946) 2.946 22.918 ( 0.000 0.000 0.986) 0.986 22.937 ( 0.000 0.000 0.007) 0.007 25.161 ( 0.000 0.000 1.929) 1.929 25.258 ( 0.000 0.000 -1.694) 1.694 ======================= Grid point 84 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 12.432 -13.185 26.421) 32.039 1.136 ( 43.387 -6.205 9.939) 44.941 1.546 ( 26.872 -6.710 -10.611) 29.661 1.677 ( 10.269 -24.925 44.562) 52.081 1.999 ( 20.499 -0.261 -2.927) 20.708 2.155 ( 24.206 -5.074 2.088) 24.820 2.222 ( 9.034 -6.536 -20.827) 23.624 2.886 ( -0.228 -7.550 5.756) 9.496 3.112 ( 3.408 -0.297 0.139) 3.423 3.294 ( 11.739 -9.295 -4.237) 15.562 3.412 ( 5.744 -9.122 -1.743) 10.920 3.881 ( -0.201 -1.364 -25.722) 25.759 4.269 ( -4.273 6.577 -6.136) 9.958 4.351 ( -4.147 -0.815 -5.002) 6.548 4.800 ( -19.163 -1.299 8.613) 21.050 4.900 ( -22.228 3.875 9.440) 24.458 5.155 ( 5.559 -4.144 5.861) 9.079 5.301 ( -5.356 -0.506 6.076) 8.115 5.364 ( 8.538 -0.168 0.042) 8.540 5.502 ( 3.887 -5.846 -6.034) 9.257 5.674 ( 1.010 1.618 15.902) 16.016 5.988 ( 3.367 -1.297 12.578) 13.086 6.431 ( 2.303 -0.203 -7.692) 8.032 6.530 ( -1.760 1.222 -9.699) 9.933 6.746 ( 0.031 5.159 -0.226) 5.164 6.889 ( 10.459 -2.568 1.320) 10.850 7.075 ( -6.909 2.278 -5.144) 8.909 7.247 ( 21.877 9.839 -13.894) 27.721 7.347 ( 8.094 1.525 -5.407) 9.852 7.529 ( 18.108 12.532 -9.909) 24.148 7.847 ( 6.744 0.531 6.735) 9.546 7.933 ( -1.460 0.414 12.554) 12.645 7.990 ( 6.370 3.041 2.047) 7.349 8.382 ( 3.510 14.075 7.178) 16.185 8.437 ( -11.110 -0.774 -5.616) 12.473 8.704 ( 2.145 -1.174 -4.964) 5.534 8.822 ( 1.615 -12.390 1.314) 12.564 8.977 ( 2.696 -17.507 -7.370) 19.186 9.771 ( -5.534 1.312 5.591) 7.975 10.238 ( 3.132 4.300 -12.827) 13.886 10.544 ( -3.752 -10.992 2.484) 11.878 10.763 ( 2.766 -2.327 -6.436) 7.381 10.856 ( 4.919 -2.088 -3.471) 6.372 11.010 ( -1.132 -0.574 -3.507) 3.730 11.994 ( 1.921 -2.989 7.584) 8.375 12.403 ( -10.866 -1.544 -2.023) 11.160 12.510 ( -11.766 -2.083 -1.655) 12.063 12.581 ( -0.110 -1.658 -12.237) 12.349 13.084 ( 7.164 -2.621 9.051) 11.837 13.325 ( 9.106 -8.755 -2.930) 12.968 14.016 ( -8.934 7.578 15.247) 19.228 14.135 ( 1.301 0.897 0.538) 1.669 14.245 ( 3.025 17.743 0.239) 18.001 14.439 ( -1.474 9.879 -5.041) 11.188 14.680 ( -3.448 -9.537 4.607) 11.139 14.961 ( -8.607 -24.400 -10.108) 27.778 16.284 ( -10.762 -1.222 17.810) 20.845 16.628 ( -0.291 -0.973 -2.560) 2.754 16.890 ( -2.993 -1.296 0.780) 3.353 16.983 ( -0.011 -2.888 -2.705) 3.957 17.715 ( -12.482 -0.790 3.519) 12.992 17.887 ( -6.834 -1.721 -4.345) 8.279 18.053 ( -17.986 -1.060 3.586) 18.371 18.236 ( -7.132 -1.095 -6.369) 9.624 19.027 ( 21.063 1.028 1.884) 21.172 19.099 ( 7.072 -3.014 1.181) 7.778 19.557 ( 26.969 25.529 5.770) 37.581 19.788 ( 7.938 0.628 -1.344) 8.075 20.428 ( 6.937 13.023 5.464) 15.735 20.774 ( 0.975 3.015 2.287) 3.908 20.903 ( 3.227 -11.631 -13.778) 18.318 20.929 ( 2.957 -8.967 -8.447) 12.669 22.442 ( -10.650 12.025 15.668) 22.439 22.614 ( 1.802 0.444 1.293) 2.262 22.875 ( -4.037 -0.767 -0.152) 4.112 23.015 ( -6.647 -12.905 -7.941) 16.546 24.992 ( -7.473 4.603 10.382) 13.595 25.224 ( -2.848 1.286 -2.354) 3.912 ======================= Grid point 85 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 14.322 -14.972 21.045) 29.532 1.731 ( 20.411 -7.890 11.265) 24.612 1.948 ( 13.837 -1.269 2.180) 14.065 2.255 ( 13.855 -18.057 5.815) 23.491 2.264 ( 3.343 -1.807 -10.026) 10.722 2.626 ( 31.561 -5.524 -0.999) 32.056 2.857 ( 41.122 -11.595 1.457) 42.751 3.029 ( 6.973 -13.989 5.812) 16.676 3.270 ( 7.116 -5.352 -5.715) 10.580 3.630 ( 12.442 -10.969 -6.504) 17.816 3.733 ( 14.196 -10.182 -0.115) 17.471 3.889 ( -0.467 -2.813 -15.540) 15.800 4.058 ( -7.269 7.720 0.332) 10.608 4.228 ( -5.943 2.836 -0.939) 6.652 4.583 ( -10.918 -3.163 1.489) 11.464 4.654 ( -8.407 -2.673 0.501) 8.836 5.184 ( -5.487 -1.357 9.721) 11.245 5.361 ( 6.815 -6.827 5.465) 11.086 5.501 ( 4.404 -3.968 -2.017) 6.262 5.665 ( 3.971 -6.470 -2.492) 7.990 5.728 ( 3.169 -2.208 7.310) 8.268 6.084 ( 4.307 -2.525 11.179) 12.243 6.451 ( -3.128 2.922 -8.851) 9.832 6.473 ( 1.403 1.192 -3.695) 4.128 6.656 ( -1.913 0.689 -6.556) 6.864 6.921 ( -5.664 4.198 -10.943) 13.017 7.130 ( 11.881 0.118 8.592) 14.663 7.319 ( 4.819 8.488 -3.286) 10.299 7.415 ( 5.239 5.114 -1.901) 7.564 7.650 ( 13.924 12.578 -4.913) 19.397 7.887 ( -0.025 -0.974 6.145) 6.221 7.969 ( 9.885 8.964 3.911) 13.905 8.062 ( 5.963 1.532 1.065) 6.248 8.246 ( -7.954 0.058 -2.896) 8.465 8.336 ( 1.870 6.372 6.944) 9.608 8.668 ( -2.360 5.142 -5.291) 7.746 9.006 ( -2.715 -12.613 2.987) 13.243 9.160 ( 2.188 -6.992 -3.615) 8.170 9.681 ( -2.666 -2.346 7.471) 8.272 10.199 ( -1.118 3.600 -11.118) 11.740 10.541 ( -5.896 -4.346 6.245) 9.626 10.798 ( -1.181 -0.482 -8.716) 8.809 10.927 ( 0.844 -0.427 -2.164) 2.362 11.015 ( -0.232 -1.568 -5.971) 6.178 12.071 ( 0.727 -3.041 5.993) 6.759 12.242 ( -9.883 -4.325 0.857) 10.822 12.323 ( -12.071 -1.850 -1.410) 12.293 12.635 ( 0.895 -5.279 -14.969) 15.898 13.256 ( 5.196 -4.815 10.238) 12.450 13.519 ( 5.225 1.610 3.525) 6.506 13.815 ( -3.053 1.216 6.174) 6.994 14.068 ( -2.797 12.999 -2.250) 13.485 14.165 ( 3.894 1.069 3.044) 5.057 14.382 ( 2.891 3.522 -7.276) 8.585 14.702 ( -4.931 -5.918 6.310) 9.957 15.094 ( -6.036 -19.260 -12.512) 23.748 16.174 ( -5.365 -2.458 19.947) 20.802 16.630 ( -0.994 -0.646 -0.863) 1.466 16.830 ( -6.031 -1.096 0.321) 6.138 17.039 ( 0.379 -4.794 -5.037) 6.964 17.524 ( -10.723 -2.104 6.319) 12.623 17.709 ( -14.360 -4.498 2.171) 15.204 17.922 ( -3.113 -2.173 -4.256) 5.703 18.173 ( -3.316 -0.817 -17.243) 17.577 19.193 ( 3.923 1.256 11.715) 12.418 19.373 ( 16.270 -1.794 1.183) 16.411 19.706 ( 21.715 16.297 3.274) 27.347 19.942 ( 10.077 1.200 -4.111) 10.949 20.396 ( 6.671 10.191 9.076) 15.190 20.734 ( 1.099 5.297 5.563) 7.760 20.974 ( 1.340 -3.608 -5.293) 6.545 21.134 ( 2.107 -7.075 -21.213) 22.461 22.182 ( -9.126 3.641 16.819) 19.479 22.620 ( -1.775 0.301 -4.132) 4.507 22.818 ( -3.104 -2.885 3.153) 5.282 23.073 ( -0.396 -5.985 -6.992) 9.212 24.859 ( -4.081 2.119 8.754) 9.889 25.145 ( -3.781 1.677 -3.343) 5.318 ======================= Grid point 86 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 15.227 -15.148 11.444) 24.337 1.990 ( 4.258 5.532 2.799) 7.521 2.146 ( 11.064 -1.539 2.185) 11.382 2.259 ( 5.486 1.210 -1.530) 5.823 2.635 ( 5.263 -11.352 11.406) 16.931 3.094 ( 8.303 -12.739 -5.074) 16.030 3.297 ( 2.761 -3.642 -10.848) 11.772 3.368 ( 6.353 3.483 -5.600) 9.157 3.640 ( 18.237 -12.181 -1.272) 21.968 3.842 ( 3.405 -2.915 2.487) 5.126 3.976 ( 9.075 -3.032 2.549) 9.902 4.083 ( 10.714 -7.284 -0.093) 12.956 4.131 ( 23.350 -7.411 1.589) 24.550 4.206 ( 2.299 -4.709 -3.106) 6.091 4.427 ( -9.321 0.264 0.072) 9.325 4.654 ( 4.839 -2.390 1.133) 5.515 5.186 ( 1.402 -6.754 4.993) 8.516 5.523 ( 1.303 -4.693 -1.830) 5.203 5.604 ( 1.853 -4.744 2.586) 5.712 5.749 ( -2.296 -3.938 -1.638) 4.844 5.799 ( 0.795 -2.557 6.505) 7.035 6.131 ( -0.979 2.741 6.138) 6.793 6.380 ( -0.283 1.074 0.716) 1.321 6.474 ( 1.081 0.409 -1.449) 1.854 6.684 ( 2.801 -0.708 -15.205) 15.477 6.782 ( -3.450 4.824 -14.240) 15.426 7.215 ( 1.789 5.268 5.235) 7.639 7.237 ( 0.012 9.688 -0.172) 9.689 7.477 ( 4.864 -3.260 4.727) 7.525 7.691 ( 6.236 7.813 0.590) 10.014 7.913 ( 1.717 0.559 4.181) 4.554 7.994 ( 7.488 9.059 2.723) 12.065 8.137 ( 0.127 0.166 -0.976) 0.998 8.172 ( -2.767 -6.480 -4.453) 8.335 8.289 ( 1.633 6.057 6.287) 8.881 8.547 ( -2.456 5.939 -4.414) 7.797 8.974 ( -9.061 -1.770 7.974) 12.199 9.258 ( 2.197 -3.175 -2.741) 4.735 9.780 ( 5.354 -6.671 3.480) 9.235 10.126 ( -2.948 2.035 -11.039) 11.605 10.483 ( -5.137 -1.996 6.140) 8.251 10.737 ( -3.602 2.420 -5.822) 7.262 10.947 ( 0.406 -1.407 -0.431) 1.527 11.016 ( -1.123 -0.717 -3.723) 3.954 12.019 ( -6.390 -0.483 1.979) 6.707 12.128 ( -9.193 -1.098 -2.654) 9.632 12.303 ( 1.633 -7.979 5.608) 9.889 12.721 ( 0.931 -4.769 -12.970) 13.851 13.288 ( -2.643 2.084 10.850) 11.360 13.545 ( 2.564 1.528 2.712) 4.033 13.725 ( -2.644 10.439 -0.079) 10.769 14.001 ( 1.608 -5.805 -5.731) 8.314 14.243 ( 6.371 0.912 4.698) 7.968 14.375 ( 0.208 2.659 -3.284) 4.230 14.673 ( -5.120 -3.478 9.133) 11.033 15.256 ( -0.072 -14.004 -15.982) 21.249 16.146 ( -2.140 -2.775 17.907) 18.247 16.602 ( -2.394 0.517 4.046) 4.729 16.724 ( -6.173 0.373 -2.369) 6.623 17.097 ( -0.386 -3.864 -7.456) 8.407 17.421 ( -5.123 -2.573 9.145) 10.794 17.591 ( -7.238 -5.477 3.783) 9.834 17.918 ( -0.553 -1.214 -6.896) 7.024 18.131 ( -2.515 -0.487 -21.352) 21.505 19.199 ( 0.886 2.879 16.845) 17.112 19.618 ( 7.751 -4.329 -2.030) 9.107 19.844 ( 12.852 10.168 3.356) 16.728 20.091 ( 10.383 2.245 -4.498) 11.536 20.405 ( 5.928 5.593 9.366) 12.415 20.690 ( 1.098 4.463 8.255) 9.449 21.042 ( 2.278 -1.922 -7.877) 8.422 21.182 ( -2.473 -1.770 -20.727) 20.949 22.030 ( -6.008 0.197 16.674) 17.724 22.562 ( -4.393 -1.315 -8.665) 9.804 22.848 ( 1.784 -1.901 6.570) 7.068 23.138 ( 1.373 -2.681 -5.565) 6.328 24.784 ( -2.505 1.153 7.158) 7.671 25.068 ( -2.966 1.233 -3.816) 4.988 ======================= Grid point 87 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -0.612 4.669 5.439) 7.194 2.242 ( 7.596 -9.339 2.112) 12.222 2.303 ( 8.083 -4.775 0.385) 9.396 2.391 ( 5.810 -2.551 -1.344) 6.486 2.641 ( -5.941 8.541 4.187) 11.215 3.183 ( -1.106 1.289 4.650) 4.950 3.346 ( 0.939 -4.830 -6.784) 8.380 3.406 ( -1.109 -0.144 -2.564) 2.797 3.816 ( 1.739 -7.502 5.146) 9.262 4.008 ( 1.791 -4.931 -2.292) 5.725 4.166 ( 0.491 1.007 -2.630) 2.859 4.195 ( 3.695 1.949 -1.807) 4.552 4.282 ( 2.063 1.120 0.363) 2.375 4.320 ( 1.367 -3.718 -5.201) 6.538 4.706 ( 16.339 -6.945 7.597) 19.311 4.842 ( 11.524 -1.675 5.334) 12.809 5.407 ( 11.153 -8.804 -2.039) 14.354 5.526 ( -1.029 0.435 -3.212) 3.401 5.636 ( -6.718 -1.900 0.876) 7.036 5.676 ( -8.519 -1.249 -0.856) 8.652 5.824 ( 0.657 -0.082 8.501) 8.527 6.018 ( -2.325 5.468 3.689) 6.994 6.388 ( 0.292 -0.447 3.826) 3.863 6.508 ( 1.507 -0.907 -1.443) 2.275 6.648 ( -1.235 3.936 -13.753) 14.358 6.771 ( 1.258 -1.447 -18.186) 18.287 7.126 ( -1.126 4.260 1.902) 4.799 7.152 ( -0.328 3.954 2.847) 4.884 7.601 ( 0.921 -6.587 4.842) 8.227 7.675 ( 2.510 6.128 2.839) 7.205 7.917 ( 0.336 0.899 6.588) 6.658 8.010 ( 2.452 2.286 1.823) 3.816 8.113 ( -1.613 -1.169 -1.613) 2.563 8.226 ( -0.814 -3.772 -5.258) 6.522 8.251 ( 1.718 4.310 3.583) 5.863 8.466 ( -0.559 2.479 -4.470) 5.142 8.857 ( -3.853 0.468 13.336) 13.889 9.310 ( 0.892 -0.861 -2.648) 2.924 9.944 ( 5.422 -3.070 -2.492) 6.711 10.054 ( -3.685 0.684 -9.627) 10.331 10.431 ( -2.290 -0.405 6.238) 6.658 10.656 ( -2.004 1.482 -3.824) 4.565 10.967 ( 0.215 -0.649 -0.499) 0.846 11.006 ( -0.568 -0.261 -1.974) 2.071 11.942 ( -2.685 -0.211 1.218) 2.956 12.025 ( -3.470 -0.283 -2.118) 4.075 12.437 ( 2.228 -5.305 5.298) 7.821 12.750 ( -0.654 0.480 -6.518) 6.568 13.263 ( 0.594 -4.704 2.231) 5.240 13.418 ( -4.447 10.716 -4.355) 12.392 13.681 ( 1.572 -0.270 8.397) 8.547 14.108 ( 1.628 -3.974 -8.825) 9.815 14.327 ( 4.171 1.549 2.036) 4.893 14.333 ( -1.561 0.899 -0.043) 1.802 14.633 ( -2.681 -1.478 14.525) 14.844 15.397 ( 1.043 -5.307 -18.054) 18.847 16.158 ( -0.267 -1.602 15.687) 15.771 16.550 ( -2.046 0.482 9.781) 10.004 16.642 ( -2.103 0.803 -5.496) 5.939 17.119 ( -0.576 -1.254 -8.968) 9.073 17.397 ( -1.179 -1.267 10.314) 10.458 17.571 ( -1.914 -2.479 3.704) 4.851 17.924 ( 0.031 -0.244 -7.547) 7.551 18.105 ( -0.990 -0.226 -22.185) 22.209 19.177 ( 0.084 1.319 18.190) 18.238 19.736 ( 0.740 -3.260 -9.548) 10.116 19.894 ( 5.322 5.486 10.247) 12.783 20.209 ( 3.979 -0.003 -1.908) 4.413 20.444 ( 3.566 2.011 6.079) 7.329 20.665 ( 0.474 1.602 9.555) 9.700 21.091 ( 2.794 1.033 -10.792) 11.195 21.130 ( -4.358 -1.300 -17.970) 18.536 21.969 ( -1.876 -0.510 15.980) 16.098 22.523 ( -1.690 -0.755 -9.832) 10.005 22.893 ( 1.083 -0.636 7.182) 7.291 23.179 ( 0.680 -0.778 -4.763) 4.874 24.745 ( -0.885 0.387 6.512) 6.583 25.021 ( -1.103 0.439 -3.938) 4.113 ======================= Grid point 93 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 21.586 -0.000 19.785) 29.281 1.469 ( 11.802 -0.000 46.552) 48.024 1.949 ( 20.789 -0.000 -3.209) 21.035 1.984 ( 28.056 -0.000 3.653) 28.293 2.208 ( 10.236 -0.000 -17.890) 20.611 2.640 ( 38.797 -0.000 2.083) 38.853 2.684 ( 27.142 -0.000 -2.706) 27.276 2.887 ( 14.342 -0.000 5.148) 15.238 3.217 ( 8.434 -0.000 -6.149) 10.438 3.418 ( 14.174 -0.000 -12.176) 18.686 3.592 ( 19.589 -0.000 4.141) 20.022 3.870 ( -0.239 0.000 -18.118) 18.120 4.264 ( -0.816 0.000 1.406) 1.626 4.324 ( -2.225 0.000 -10.020) 10.264 4.443 ( -17.371 0.000 4.652) 17.983 4.597 ( -13.823 0.000 0.321) 13.827 5.172 ( -8.045 0.000 15.931) 17.847 5.267 ( 9.549 -0.000 4.172) 10.420 5.499 ( 5.683 -0.000 -3.083) 6.465 5.505 ( 3.188 -0.000 -3.841) 4.991 5.716 ( 2.631 -0.000 11.854) 12.143 6.043 ( 4.190 -0.000 11.446) 12.188 6.486 ( 4.077 -0.000 -10.079) 10.872 6.500 ( -3.074 0.000 -11.957) 12.346 6.662 ( -7.612 0.000 3.055) 8.202 6.973 ( -5.570 0.000 -11.133) 12.448 7.113 ( 9.477 -0.000 11.568) 14.954 7.445 ( 5.315 -0.000 -2.854) 6.033 7.525 ( 7.254 -0.000 -5.991) 9.409 7.821 ( 3.166 -0.000 -15.215) 15.541 7.858 ( -3.801 0.000 11.736) 12.336 8.054 ( 13.704 -0.000 7.983) 15.860 8.116 ( -9.335 0.000 -2.435) 9.648 8.346 ( 7.404 -0.000 -5.453) 9.195 8.611 ( -1.133 0.000 4.098) 4.252 8.693 ( 3.507 -0.000 4.002) 5.321 8.738 ( 5.042 -0.000 -1.273) 5.200 8.977 ( 8.352 -0.000 -7.177) 11.011 9.657 ( -6.930 0.000 8.205) 10.740 10.307 ( -2.735 0.000 -11.408) 11.731 10.404 ( -2.663 0.000 6.429) 6.958 10.778 ( 0.876 -0.000 -12.850) 12.880 10.938 ( 3.911 -0.000 -10.926) 11.605 10.976 ( -1.931 0.000 -2.573) 3.217 12.023 ( 3.520 -0.000 6.845) 7.697 12.200 ( -11.631 0.000 0.720) 11.653 12.255 ( -13.133 0.000 0.276) 13.136 12.574 ( 0.548 -0.000 -14.780) 14.790 13.187 ( 6.723 -0.000 9.391) 11.549 13.459 ( 11.123 -0.000 -3.372) 11.623 13.909 ( -8.659 0.000 23.801) 25.327 14.169 ( 2.586 -0.000 3.056) 4.003 14.448 ( -5.552 0.000 -0.370) 5.564 14.483 ( 1.885 -0.000 -2.962) 3.511 14.580 ( 3.373 -0.000 -6.900) 7.680 14.602 ( -7.902 0.000 -3.781) 8.760 16.146 ( -4.668 0.000 20.886) 21.402 16.616 ( -0.560 0.000 -0.675) 0.877 16.809 ( -5.421 0.000 -0.118) 5.423 16.975 ( 1.059 -0.000 -4.050) 4.186 17.496 ( -11.014 0.000 6.132) 12.606 17.652 ( -14.758 0.000 2.546) 14.976 17.894 ( -1.901 0.000 -4.664) 5.036 18.163 ( -2.531 0.000 -18.804) 18.974 19.185 ( 4.481 -0.000 11.075) 11.947 19.371 ( 16.935 -0.000 -0.408) 16.940 19.939 ( 11.367 -0.000 2.005) 11.542 20.032 ( 10.760 -0.000 -1.707) 10.894 20.664 ( 5.496 -0.000 -0.373) 5.508 20.829 ( 2.090 -0.000 1.848) 2.790 20.879 ( 1.619 -0.000 -4.417) 4.704 20.975 ( 10.918 -0.000 -15.856) 19.251 22.265 ( -14.943 0.000 17.265) 22.834 22.605 ( -7.678 0.000 -3.168) 8.306 22.740 ( -1.910 0.000 4.007) 4.439 22.944 ( 4.218 -0.000 -4.494) 6.163 24.891 ( -5.969 0.000 9.473) 11.197 25.166 ( -4.558 0.000 -3.048) 5.483 ======================= Grid point 94 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 20.843 -2.197 19.212) 28.431 1.830 ( 15.860 -15.353 28.145) 35.769 2.207 ( 12.639 4.159 -0.046) 13.305 2.344 ( 9.780 -4.104 3.995) 11.333 2.387 ( 10.662 2.636 -15.007) 18.597 2.780 ( 1.750 -8.374 3.447) 9.223 3.116 ( 9.348 -4.187 3.583) 10.852 3.473 ( 26.919 -2.089 -11.949) 29.526 3.549 ( 26.155 4.293 -13.559) 29.772 3.741 ( 13.539 -5.590 -9.767) 17.605 3.921 ( 11.942 -1.800 -0.143) 12.078 3.994 ( 24.200 -3.009 4.370) 24.775 4.087 ( 0.857 9.254 2.975) 9.758 4.273 ( 3.561 7.308 -4.757) 9.419 4.355 ( -7.013 -6.756 -1.931) 9.928 4.526 ( 1.100 -7.565 -5.213) 9.253 5.069 ( -4.110 -2.075 18.058) 18.636 5.431 ( 6.127 -2.071 1.522) 6.644 5.524 ( 1.806 0.025 -0.884) 2.011 5.620 ( 0.631 -5.881 -4.832) 7.638 5.760 ( 2.142 -0.642 12.249) 12.451 6.127 ( 4.244 -1.313 8.424) 9.524 6.429 ( -3.450 1.363 -7.178) 8.079 6.503 ( -2.557 2.789 -0.311) 3.796 6.606 ( 0.695 -4.362 -9.389) 10.376 6.881 ( -3.878 1.992 -13.281) 13.978 7.198 ( -0.432 -2.528 12.752) 13.008 7.478 ( 2.526 7.180 -2.001) 7.870 7.566 ( 2.382 6.342 -3.235) 7.508 7.730 ( -11.592 -2.527 -5.746) 13.183 7.821 ( -3.461 -3.104 5.701) 7.356 8.037 ( 0.616 -3.154 -4.118) 5.224 8.187 ( 4.222 4.630 5.327) 8.224 8.366 ( 0.974 7.592 -2.069) 7.929 8.527 ( 5.048 11.566 5.764) 13.874 8.734 ( 2.621 8.036 -2.831) 8.914 8.860 ( 2.092 -7.181 6.031) 9.608 9.159 ( 6.420 -4.600 -6.004) 9.921 9.632 ( 3.595 -3.770 9.573) 10.898 10.198 ( -4.529 3.703 -7.626) 9.611 10.388 ( -5.023 -5.028 5.296) 8.864 10.776 ( -1.669 0.454 -13.206) 13.319 10.932 ( -0.618 0.838 -1.841) 2.115 10.979 ( -1.434 -2.102 -6.024) 6.539 12.021 ( -7.003 0.683 1.647) 7.227 12.061 ( -6.998 -3.131 -0.687) 7.697 12.148 ( 1.288 -3.996 5.863) 7.212 12.612 ( 2.237 -2.505 -14.476) 14.861 13.286 ( 2.786 -1.367 10.916) 11.349 13.623 ( 5.372 0.777 -2.826) 6.119 13.783 ( -1.886 1.017 12.395) 12.578 14.206 ( -5.425 16.941 -4.068) 18.248 14.241 ( 5.159 -1.205 6.807) 8.626 14.391 ( -4.121 -0.131 1.019) 4.247 14.569 ( -4.932 -5.250 -1.927) 7.457 14.843 ( 6.736 -15.607 -12.575) 21.144 16.106 ( -0.805 -0.641 19.469) 19.496 16.599 ( -2.294 -0.423 4.503) 5.071 16.720 ( -4.615 -0.447 -3.561) 5.846 17.014 ( 1.708 -2.088 -5.861) 6.452 17.370 ( -4.614 -1.212 8.586) 9.822 17.488 ( -5.843 -2.217 5.151) 8.099 17.911 ( 2.877 0.203 -8.970) 9.423 18.125 ( -2.098 -0.064 -23.556) 23.649 19.222 ( -0.229 -0.188 17.689) 17.692 19.588 ( 9.012 0.286 -1.836) 9.202 20.106 ( 6.366 7.669 0.184) 9.969 20.124 ( 10.313 0.567 -0.265) 10.332 20.683 ( 7.826 12.924 3.093) 15.422 20.837 ( 2.915 5.803 2.757) 7.055 20.947 ( 2.171 -5.468 -2.788) 6.511 21.137 ( 4.522 -2.114 -15.937) 16.701 22.047 ( -9.153 1.754 13.928) 16.758 22.449 ( -11.755 -6.548 -5.497) 14.535 22.786 ( 2.682 -1.865 5.182) 6.125 23.035 ( 2.580 -3.695 -4.804) 6.587 24.807 ( -3.621 0.525 7.417) 8.271 25.085 ( -4.472 0.251 -3.633) 5.767 ======================= Grid point 95 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 16.480 -7.444 10.307) 20.815 2.141 ( 4.338 6.507 2.952) 8.359 2.291 ( 6.942 1.749 1.918) 7.411 2.369 ( 3.858 2.101 2.351) 4.983 2.616 ( 6.451 -8.375 14.299) 17.783 3.061 ( 8.356 -14.631 -4.567) 17.457 3.255 ( 0.850 -4.507 -6.214) 7.723 3.473 ( -4.085 12.670 -2.048) 13.469 3.694 ( 2.112 -0.706 -4.662) 5.166 3.931 ( 6.454 -1.257 -9.347) 11.428 4.211 ( 10.123 2.129 -1.576) 10.463 4.261 ( 13.537 1.102 1.511) 13.666 4.273 ( 4.793 1.848 -5.172) 7.290 4.348 ( 8.247 2.677 -1.206) 8.754 4.569 ( 25.376 -3.466 5.792) 26.258 4.777 ( 17.490 -5.417 -2.352) 18.460 5.147 ( 7.555 -8.529 10.002) 15.161 5.474 ( -3.613 -2.128 -0.835) 4.275 5.534 ( -6.017 -3.976 0.620) 7.238 5.662 ( -0.596 -1.757 -4.589) 4.950 5.801 ( 1.332 -1.229 12.774) 12.902 6.174 ( 1.564 3.922 4.244) 5.986 6.375 ( -1.690 0.182 3.285) 3.699 6.444 ( -2.983 -3.748 -1.752) 5.100 6.697 ( 2.684 -3.674 -13.934) 14.658 6.778 ( -3.860 4.210 -14.379) 15.472 7.179 ( -5.889 -3.487 7.314) 10.017 7.339 ( -4.270 8.137 -0.743) 9.219 7.504 ( -1.323 4.961 0.483) 5.157 7.581 ( -13.393 -6.285 -2.412) 14.990 7.824 ( -0.088 -2.591 6.975) 7.441 8.115 ( -5.646 -0.229 2.232) 6.076 8.133 ( 3.866 -1.789 -3.976) 5.828 8.292 ( 0.252 4.014 -2.104) 4.539 8.466 ( 4.973 12.466 5.492) 14.501 8.661 ( 5.036 13.158 -3.228) 14.454 8.906 ( 1.316 1.948 10.416) 10.678 9.285 ( 4.136 -1.142 -4.188) 5.995 9.837 ( 10.808 -5.013 3.245) 12.348 10.086 ( -4.397 1.969 -7.561) 8.965 10.363 ( -4.468 -4.595 5.481) 8.433 10.706 ( -3.634 2.040 -9.263) 10.157 10.936 ( 0.234 -1.314 -0.393) 1.391 10.978 ( -1.165 -1.868 -2.645) 3.442 11.936 ( -2.352 -0.166 1.024) 2.571 11.994 ( -3.326 -2.201 -1.534) 4.273 12.278 ( 5.155 -5.560 5.927) 9.624 12.702 ( 3.117 -3.582 -13.041) 13.878 13.282 ( -1.650 2.856 12.174) 12.613 13.609 ( 0.734 4.265 1.067) 4.457 13.793 ( -1.626 5.233 -1.645) 5.721 13.994 ( 0.397 2.239 -4.275) 4.842 14.319 ( -4.940 -0.910 1.598) 5.271 14.356 ( 4.529 -1.427 6.349) 7.928 14.549 ( -3.847 -4.747 4.461) 7.565 15.149 ( 7.784 -12.353 -16.300) 21.884 16.129 ( 2.388 -0.487 17.854) 18.019 16.544 ( -4.070 -0.759 10.229) 11.036 16.681 ( 0.201 1.320 -6.869) 6.998 17.072 ( 1.899 -2.020 -7.967) 8.436 17.358 ( 0.651 -1.478 10.354) 10.479 17.495 ( 1.933 -2.865 4.812) 5.924 17.958 ( 3.908 2.233 -10.027) 10.991 18.100 ( -0.728 -0.126 -23.712) 23.723 19.195 ( -2.604 -0.011 19.877) 20.047 19.677 ( 2.023 -0.280 -4.252) 4.717 20.087 ( 2.007 6.450 3.765) 7.733 20.259 ( 6.806 2.088 -2.266) 7.471 20.631 ( 5.022 12.906 4.714) 14.629 20.784 ( 1.311 7.540 5.807) 9.607 21.049 ( 2.319 -2.955 -4.651) 5.978 21.177 ( 1.264 2.257 -17.997) 18.181 21.924 ( -4.633 -1.574 14.655) 15.451 22.399 ( -6.299 -9.145 -7.570) 13.440 22.845 ( 0.793 -2.370 5.892) 6.400 23.107 ( 0.058 -4.080 -4.598) 6.148 24.755 ( -1.801 0.339 6.270) 6.532 25.020 ( -3.047 -0.398 -3.801) 4.888 ======================= Grid point 96 (34/75) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.641 11.884 3.261) 12.340 2.245 ( 2.015 -3.423 -0.354) 3.987 2.356 ( 2.169 -2.896 -0.969) 3.746 2.397 ( 0.265 -2.884 -3.159) 4.286 2.686 ( -1.820 9.681 13.157) 16.436 3.182 ( -3.351 -1.467 8.170) 8.951 3.315 ( 6.447 -3.604 -7.044) 10.207 3.418 ( 2.273 -0.284 -1.555) 2.768 3.810 ( 6.548 -4.581 1.613) 8.153 4.067 ( 8.866 -1.341 -7.155) 11.472 4.177 ( -0.754 4.445 -1.287) 4.689 4.317 ( 3.803 7.447 0.716) 8.393 4.361 ( -1.056 8.731 -0.567) 8.813 4.432 ( 8.669 3.943 -6.088) 11.303 4.815 ( 2.289 1.855 7.865) 8.399 4.964 ( -6.394 6.520 3.662) 9.839 5.399 ( -1.951 -8.352 -2.311) 8.883 5.468 ( -8.714 -3.053 -2.462) 9.556 5.503 ( 13.381 -9.189 1.463) 16.298 5.698 ( 6.136 -1.227 -5.877) 8.585 5.841 ( 3.463 1.080 13.231) 13.720 6.086 ( -1.016 8.189 5.402) 9.863 6.375 ( -0.239 -1.743 2.771) 3.282 6.472 ( -1.657 -4.705 -1.195) 5.130 6.649 ( -3.694 3.661 -12.457) 13.499 6.778 ( 1.783 -1.276 -16.896) 17.038 7.092 ( -6.535 -0.131 3.281) 7.314 7.182 ( -3.443 5.926 0.573) 6.877 7.414 ( -7.691 -5.140 2.202) 9.509 7.467 ( -12.906 -12.379 -1.947) 17.989 7.864 ( 0.374 -0.440 8.660) 8.679 8.022 ( -6.152 -4.766 6.992) 10.462 8.226 ( 2.857 -1.060 -6.238) 6.943 8.251 ( 0.916 6.896 -0.856) 7.009 8.403 ( 2.932 6.049 2.950) 7.340 8.580 ( 6.683 15.557 -3.656) 17.322 8.915 ( 5.753 4.520 11.136) 13.324 9.331 ( 1.415 0.936 -3.209) 3.630 9.993 ( -2.548 1.330 -4.588) 5.414 10.045 ( 6.125 -0.479 -5.649) 8.346 10.374 ( -0.040 -4.661 6.627) 8.102 10.647 ( -0.414 0.596 -5.244) 5.294 10.957 ( 0.048 -1.326 -0.366) 1.376 10.991 ( 0.122 -1.450 -1.707) 2.243 11.946 ( 3.293 0.115 1.070) 3.465 12.016 ( 3.573 -0.971 -1.734) 4.089 12.434 ( 4.656 -4.514 5.388) 8.431 12.767 ( 1.598 0.794 -7.856) 8.056 13.249 ( 1.900 -1.089 5.387) 5.815 13.497 ( -2.687 11.017 -5.441) 12.577 13.696 ( -0.965 1.901 7.131) 7.443 14.075 ( 1.576 -5.707 -8.580) 10.425 14.242 ( -6.081 -2.301 3.212) 7.252 14.373 ( -2.849 0.731 -2.046) 3.583 14.604 ( 3.561 -3.525 15.607) 16.392 15.381 ( 5.397 -5.773 -18.414) 20.039 16.185 ( 3.897 0.814 16.234) 16.715 16.520 ( -0.159 -1.959 11.372) 11.541 16.682 ( 3.626 3.498 -6.292) 8.061 17.126 ( 2.608 -0.564 -9.778) 10.136 17.410 ( 3.704 -0.198 10.527) 11.162 17.595 ( 6.653 -0.481 3.830) 7.691 17.980 ( 3.343 3.812 -9.065) 10.387 18.108 ( 1.580 0.037 -21.394) 21.452 19.148 ( -3.397 -0.942 19.650) 19.963 19.686 ( -2.323 -2.294 -6.147) 6.960 20.000 ( -2.865 6.880 5.019) 8.985 20.278 ( -1.086 4.147 -4.678) 6.346 20.524 ( -0.108 9.775 7.070) 12.064 20.710 ( -0.545 5.223 9.309) 10.688 21.062 ( -1.787 -0.363 -9.470) 9.644 21.198 ( 5.216 2.819 -16.332) 17.375 21.925 ( 0.168 -3.575 15.110) 15.528 22.440 ( -1.752 -7.538 -8.810) 11.726 22.865 ( -1.996 -2.397 6.664) 7.358 23.138 ( -2.050 -3.631 -4.518) 6.148 24.738 ( -0.068 -0.160 5.926) 5.928 24.996 ( -1.007 -1.431 -3.797) 4.181 ======================= Grid point 97 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.596 4.764 4.588) 6.641 2.156 ( -10.916 0.520 1.204) 10.995 2.232 ( -8.360 3.158 -1.685) 9.094 2.337 ( -9.242 16.261 -0.911) 18.726 2.671 ( 8.256 -6.365 3.887) 11.125 3.196 ( -1.784 0.111 4.509) 4.850 3.362 ( -2.908 4.974 -8.951) 10.645 3.452 ( 2.310 1.568 -8.628) 9.068 3.886 ( -2.385 1.334 9.864) 10.236 4.022 ( -13.604 10.734 4.784) 17.977 4.117 ( 2.003 9.159 -0.481) 9.388 4.259 ( 3.115 5.850 2.426) 7.058 4.334 ( 5.758 0.853 -4.582) 7.408 4.428 ( -2.908 12.025 -1.426) 12.454 4.478 ( -10.681 11.018 5.163) 16.191 4.747 ( -6.330 7.286 5.174) 10.951 5.308 ( -8.288 1.077 -5.571) 10.044 5.526 ( 2.812 -5.387 -9.385) 11.180 5.734 ( 3.080 3.277 3.026) 5.420 5.806 ( 1.530 -2.167 7.351) 7.815 5.907 ( 8.658 6.685 1.747) 11.078 6.022 ( 1.565 -1.747 8.079) 8.412 6.382 ( -0.543 0.222 1.393) 1.512 6.467 ( -2.652 -0.417 -1.066) 2.889 6.591 ( -2.135 -3.224 -14.095) 14.616 6.777 ( -0.634 2.482 -16.054) 16.257 7.029 ( -4.372 -6.025 2.628) 7.894 7.105 ( -2.025 -1.675 0.843) 2.760 7.369 ( -10.960 -10.765 1.905) 15.480 7.423 ( -12.093 -12.637 -2.437) 17.659 7.825 ( -4.018 -0.844 10.937) 11.682 8.024 ( -1.632 -3.474 8.673) 9.485 8.113 ( -4.042 7.731 3.417) 9.369 8.254 ( 0.596 3.087 -5.666) 6.480 8.412 ( -2.816 -3.643 -2.113) 5.066 8.524 ( 11.982 15.955 -4.121) 20.374 9.015 ( 11.184 2.382 8.304) 14.132 9.323 ( 0.260 2.095 -1.968) 2.886 9.909 ( -4.108 3.084 -1.447) 5.336 10.097 ( 0.811 -0.236 -8.947) 8.987 10.482 ( 6.354 -2.070 5.980) 8.967 10.686 ( 3.965 -1.241 -3.308) 5.311 10.966 ( -0.158 -0.229 -0.278) 0.394 11.014 ( 0.813 -0.856 -2.152) 2.455 12.036 ( 7.506 0.715 1.568) 7.702 12.134 ( 9.128 -0.190 -2.198) 9.391 12.486 ( 0.506 4.433 5.297) 6.926 12.777 ( 2.131 0.752 -5.281) 5.744 13.336 ( -0.397 6.753 -0.767) 6.808 13.390 ( 6.056 -6.999 -2.085) 9.487 13.646 ( -3.665 1.152 8.868) 9.664 14.116 ( -1.280 0.878 -8.493) 8.634 14.188 ( -5.890 -4.775 1.307) 7.694 14.298 ( -4.738 -1.472 -2.282) 5.461 14.710 ( 5.291 -0.759 15.525) 16.419 15.468 ( 3.117 2.705 -18.592) 19.045 16.228 ( 4.052 2.871 15.531) 16.305 16.579 ( 3.373 -1.565 8.735) 9.493 16.733 ( 7.322 2.585 -4.249) 8.851 17.171 ( 3.052 1.603 -10.132) 10.703 17.483 ( 6.469 2.022 9.489) 11.661 17.717 ( 10.183 3.753 2.949) 11.247 17.985 ( 3.295 4.112 -7.047) 8.799 18.147 ( 3.336 0.641 -18.172) 18.487 19.107 ( -4.605 -3.257 18.480) 19.322 19.656 ( -7.627 -4.674 -3.098) 9.466 19.817 ( -5.984 9.132 -0.562) 10.933 20.090 ( -13.774 4.193 -6.004) 15.600 20.425 ( 0.277 6.394 11.080) 12.796 20.646 ( -1.835 1.233 11.149) 11.366 21.045 ( -1.378 -0.821 -10.611) 10.731 21.251 ( 5.037 3.240 -17.638) 18.627 21.996 ( 3.201 -2.882 15.465) 16.054 22.515 ( 0.874 -5.240 -8.921) 10.383 22.843 ( -3.495 -2.173 7.118) 8.222 23.134 ( -2.946 -2.806 -5.056) 6.490 24.756 ( 1.321 -0.953 6.233) 6.442 25.021 ( 0.941 -2.431 -3.784) 4.595 ======================= Grid point 98 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -13.207 4.341 4.554) 14.629 1.842 ( -15.288 12.454 6.521) 20.769 2.009 ( -6.884 7.029 2.408) 10.128 2.172 ( -1.389 -2.767 -5.020) 5.898 2.663 ( -13.402 13.028 8.705) 20.618 3.000 ( -25.655 15.572 -7.738) 30.993 3.068 ( -11.735 -4.197 -9.691) 15.787 3.362 ( -1.660 10.869 -11.060) 15.595 3.588 ( -9.027 22.335 10.882) 26.434 3.884 ( 3.115 0.272 7.825) 8.427 3.907 ( -9.382 13.207 9.465) 18.763 4.081 ( 2.384 8.343 -2.057) 8.918 4.161 ( 0.514 16.137 -6.236) 17.307 4.328 ( 1.579 13.575 -1.949) 13.805 4.605 ( 10.200 -3.702 2.263) 11.084 4.656 ( 5.713 1.430 4.310) 7.298 5.215 ( -0.798 0.160 -2.519) 2.647 5.554 ( -2.819 2.303 -5.785) 6.835 5.607 ( -5.437 7.903 4.207) 10.475 5.784 ( -1.827 4.639 10.976) 12.055 5.889 ( 0.655 9.023 -4.668) 10.180 6.096 ( -1.866 -3.194 11.110) 11.710 6.391 ( 3.439 -0.883 -1.632) 3.908 6.437 ( -1.117 -1.244 -3.493) 3.872 6.614 ( -2.690 -4.005 -14.591) 15.368 6.786 ( 3.420 -4.069 -10.398) 11.678 7.024 ( -8.287 -6.581 2.569) 10.889 7.129 ( -3.149 -5.614 -3.906) 7.529 7.289 ( -12.099 -8.913 2.143) 15.179 7.354 ( -12.271 -9.791 -3.403) 16.063 7.782 ( -2.902 -1.237 10.208) 10.685 7.970 ( -3.337 2.850 5.224) 6.823 8.039 ( -2.462 -4.594 11.746) 12.850 8.180 ( -1.952 5.376 -4.204) 7.098 8.379 ( -3.224 -2.270 -4.036) 5.643 8.592 ( 9.188 5.180 -6.162) 12.216 9.195 ( 11.514 2.734 3.639) 12.381 9.295 ( 1.316 4.382 0.026) 4.575 9.780 ( -4.296 4.664 3.219) 7.111 10.121 ( -0.143 -3.024 -11.014) 11.422 10.603 ( 7.020 1.272 6.103) 9.388 10.781 ( 4.479 -1.177 -2.966) 5.500 10.956 ( -0.348 1.064 -0.501) 1.227 11.034 ( 0.548 -0.067 -3.478) 3.521 12.148 ( 6.300 2.762 3.251) 7.609 12.314 ( 11.640 0.264 -3.127) 12.056 12.413 ( 2.790 6.791 4.736) 8.737 12.774 ( 0.006 4.122 -11.095) 11.836 13.314 ( 1.760 -0.429 8.952) 9.133 13.484 ( -5.406 2.797 6.330) 8.781 13.650 ( 3.930 -9.391 -0.314) 10.185 14.054 ( -0.981 4.494 -6.962) 8.344 14.117 ( -5.818 -2.307 2.411) 6.708 14.274 ( -4.609 -5.288 -8.446) 10.980 14.796 ( 5.087 1.265 13.443) 14.429 15.450 ( 4.350 8.812 -18.081) 20.579 16.266 ( 5.908 3.924 16.279) 17.757 16.643 ( 3.345 0.805 2.069) 4.015 16.849 ( 7.894 1.140 0.116) 7.977 17.174 ( 1.990 4.949 -8.063) 9.668 17.591 ( 10.392 3.002 6.654) 12.699 17.853 ( 13.271 6.090 0.944) 14.632 17.996 ( 4.155 3.641 -4.225) 6.955 18.203 ( 4.872 1.447 -13.110) 14.061 19.063 ( -8.467 -6.530 17.225) 20.274 19.444 ( -19.101 0.946 6.599) 20.230 19.616 ( -8.134 10.376 -8.615) 15.749 19.825 ( -13.426 -5.884 -9.412) 17.420 20.345 ( -1.608 5.138 14.859) 15.805 20.628 ( -1.203 -2.573 10.400) 10.781 21.024 ( -1.434 0.385 -9.502) 9.617 21.272 ( 2.549 4.330 -20.187) 20.803 22.103 ( 4.814 -3.214 15.852) 16.876 22.582 ( 0.186 -3.096 -6.255) 6.982 22.826 ( -0.990 -2.339 5.215) 5.801 23.120 ( -1.584 -1.844 -6.551) 6.987 24.804 ( 2.118 -2.025 7.184) 7.758 25.084 ( 2.114 -3.180 -3.680) 5.303 ======================= Grid point 99 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -32.526 6.492 7.264) 33.954 1.438 ( -3.919 22.221 15.025) 27.108 1.765 ( -13.887 7.979 -6.737) 17.375 2.101 ( -21.815 7.771 3.427) 23.410 2.253 ( 0.244 0.384 -15.398) 15.404 2.332 ( -20.803 15.422 -2.646) 26.031 2.679 ( -9.072 35.352 24.429) 43.918 3.207 ( 2.184 15.448 1.626) 15.686 3.340 ( 0.789 12.314 -0.076) 12.340 3.564 ( -9.958 9.455 -2.497) 13.957 3.767 ( -5.318 22.552 -4.343) 23.574 3.993 ( 1.633 9.683 -17.680) 20.224 4.102 ( 4.838 -3.024 1.395) 5.873 4.344 ( 7.903 -1.771 -4.360) 9.198 4.771 ( 7.831 0.205 10.982) 13.490 4.861 ( 15.424 -2.597 5.974) 16.743 5.246 ( 1.126 0.822 -2.413) 2.787 5.397 ( -11.747 2.472 1.315) 12.077 5.425 ( 0.380 8.875 4.800) 10.097 5.663 ( -5.178 2.994 10.240) 11.859 5.727 ( -4.040 10.460 -5.439) 12.463 6.039 ( -3.615 1.955 13.276) 13.898 6.439 ( -0.998 0.368 -3.739) 3.888 6.482 ( 3.014 -2.196 -5.072) 6.296 6.641 ( 0.481 -4.114 -11.444) 12.170 6.912 ( -5.954 -2.253 2.147) 6.718 6.968 ( 5.622 -5.743 -2.916) 8.549 7.022 ( -17.337 -6.198 -13.670) 22.931 7.227 ( -8.391 -9.046 0.753) 12.362 7.282 ( -7.276 -4.644 -5.373) 10.167 7.750 ( -2.752 -1.883 10.135) 10.670 7.942 ( 0.835 -0.550 5.577) 5.666 8.033 ( -2.218 1.490 9.758) 10.117 8.117 ( -2.591 -4.549 4.339) 6.800 8.414 ( 1.943 -6.130 -6.406) 9.077 8.650 ( 1.576 1.374 -8.725) 8.972 9.234 ( 3.144 12.830 0.562) 13.221 9.251 ( 2.068 8.205 -0.380) 8.470 9.722 ( 0.873 -1.865 6.373) 6.697 10.158 ( -0.524 -3.348 -12.024) 12.492 10.684 ( 5.362 2.533 7.921) 9.895 10.834 ( 1.495 1.689 -3.984) 4.578 10.925 ( -1.283 2.473 -2.658) 3.851 11.031 ( -0.022 0.766 -4.113) 4.184 12.124 ( -0.251 6.920 6.482) 9.485 12.465 ( 9.798 2.631 0.378) 10.152 12.513 ( 9.324 -0.346 -3.360) 9.917 12.691 ( -1.793 5.407 -12.274) 13.531 13.240 ( -5.962 8.656 10.626) 14.946 13.410 ( -2.863 -4.316 10.165) 11.409 13.807 ( 1.822 -5.988 -1.018) 6.341 14.034 ( 2.372 -1.500 -2.792) 3.958 14.085 ( -2.367 -3.068 0.820) 3.960 14.258 ( -3.947 -5.096 -13.538) 14.994 14.842 ( 3.461 3.368 11.617) 12.580 15.413 ( 5.986 11.528 -18.769) 22.825 16.341 ( 7.901 2.682 14.749) 16.945 16.671 ( 2.557 2.668 -1.603) 4.028 16.934 ( 3.998 2.161 1.505) 4.787 17.121 ( 1.055 7.179 -5.112) 8.875 17.753 ( 11.527 2.163 3.405) 12.213 17.952 ( 3.382 3.042 -5.437) 7.089 18.109 ( 16.121 3.371 3.526) 16.843 18.281 ( 7.409 2.109 -4.889) 9.124 18.952 ( -17.253 -8.875 16.138) 25.236 19.076 ( -22.468 -1.029 8.636) 24.092 19.289 ( -10.471 10.521 -6.170) 16.075 19.751 ( -6.743 -5.324 -12.964) 15.552 20.260 ( -2.612 1.171 17.944) 18.171 20.662 ( -0.344 -4.530 7.874) 9.091 20.990 ( -0.787 1.876 -7.572) 7.840 21.218 ( 0.034 7.842 -21.730) 23.102 22.235 ( 3.996 -5.652 15.708) 17.165 22.593 ( -1.569 -1.435 -1.039) 2.367 22.870 ( 1.785 -2.117 1.413) 3.109 23.144 ( 2.234 -1.369 -9.645) 9.995 24.877 ( 2.225 -3.752 8.887) 9.900 25.162 ( 1.918 -3.473 -3.238) 5.121 ======================= Grid point 100 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 19.286 11.215) 22.310 1.123 ( 0.000 22.785 23.414) 32.671 1.419 ( 0.000 14.599 -17.891) 23.092 1.806 ( 0.000 5.234 5.917) 7.899 2.028 ( 0.000 7.549 2.187) 7.860 2.050 ( 0.000 38.662 33.531) 51.177 2.277 ( 0.000 8.444 -17.725) 19.634 3.072 ( 0.000 19.448 5.724) 20.273 3.114 ( 0.000 5.209 9.122) 10.504 3.382 ( 0.000 23.577 -4.800) 24.061 3.461 ( 0.000 3.049 -8.634) 9.157 3.918 ( 0.000 4.405 -25.378) 25.758 4.229 ( -0.000 -6.910 -5.848) 9.052 4.431 ( 0.000 1.942 -7.148) 7.408 4.961 ( -0.000 -13.919 18.628) 23.254 5.117 ( 0.000 3.262 1.538) 3.606 5.150 ( 0.000 0.957 12.281) 12.318 5.209 ( 0.000 0.593 1.444) 1.561 5.378 ( 0.000 5.584 -3.622) 6.656 5.547 ( 0.000 9.535 -6.019) 11.275 5.620 ( -0.000 -4.026 19.336) 19.751 5.971 ( 0.000 2.412 13.200) 13.419 6.411 ( 0.000 0.659 -5.375) 5.415 6.520 ( -0.000 -1.577 2.395) 2.867 6.707 ( 0.000 4.645 -5.292) 7.042 6.765 ( -0.000 -3.815 -24.922) 25.212 6.896 ( 0.000 0.571 4.622) 4.657 7.155 ( -0.000 -5.507 -1.761) 5.782 7.219 ( -0.000 -1.321 -11.127) 11.205 7.260 ( -0.000 -10.538 -1.661) 10.668 7.754 ( -0.000 -3.310 10.126) 10.653 7.949 ( 0.000 2.259 -2.804) 3.601 7.980 ( 0.000 1.963 17.392) 17.502 8.196 ( -0.000 -10.974 8.345) 13.786 8.568 ( -0.000 -9.300 -7.115) 11.710 8.607 ( 0.000 3.206 -9.138) 9.684 9.023 ( 0.000 20.087 1.959) 20.183 9.164 ( 0.000 10.868 -6.061) 12.444 9.785 ( -0.000 -3.608 5.355) 6.457 10.182 ( -0.000 -1.565 -12.350) 12.449 10.723 ( 0.000 0.684 10.605) 10.627 10.767 ( 0.000 10.502 -7.534) 12.925 10.855 ( 0.000 3.883 -4.756) 6.140 11.025 ( 0.000 0.450 -3.491) 3.520 12.034 ( 0.000 5.859 7.455) 9.482 12.562 ( 0.000 4.788 -15.540) 16.261 12.576 ( -0.000 -0.436 1.068) 1.153 12.634 ( 0.000 0.474 -1.090) 1.189 13.063 ( 0.000 7.134 10.086) 12.354 13.365 ( 0.000 6.660 0.105) 6.661 13.949 ( -0.000 -15.431 6.727) 16.834 14.084 ( -0.000 -1.721 0.343) 1.755 14.102 ( -0.000 -2.391 -0.319) 2.413 14.317 ( -0.000 -9.583 -11.177) 14.723 14.814 ( 0.000 6.322 9.368) 11.301 15.315 ( 0.000 15.986 -20.346) 25.875 16.421 ( -0.000 -0.035 8.271) 8.271 16.659 ( 0.000 2.894 -3.227) 4.334 16.936 ( 0.000 2.091 1.391) 2.511 17.044 ( 0.000 6.130 -2.691) 6.695 17.849 ( 0.000 1.304 1.610) 2.072 17.950 ( 0.000 1.298 -2.314) 2.653 18.308 ( 0.000 0.389 1.971) 2.009 18.391 ( 0.000 0.367 -1.261) 1.313 18.764 ( 0.000 0.270 5.971) 5.978 18.872 ( -0.000 -15.319 25.694) 29.914 19.093 ( 0.000 6.158 -2.715) 6.729 19.718 ( -0.000 -0.132 -9.138) 9.139 20.260 ( -0.000 -5.556 14.667) 15.684 20.718 ( -0.000 -4.647 5.136) 6.927 20.953 ( 0.000 3.025 -5.523) 6.298 21.081 ( 0.000 13.661 -22.104) 25.985 22.370 ( -0.000 -10.064 15.245) 18.267 22.590 ( -0.000 -0.738 1.021) 1.260 22.906 ( -0.000 -0.600 0.763) 0.971 23.189 ( 0.000 1.504 -13.616) 13.699 24.970 ( -0.000 -7.223 10.372) 12.640 25.222 ( -0.000 -2.898 -2.498) 3.826 ======================= Grid point 103 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 20.361 -0.000 10.967) 23.127 1.978 ( 15.144 -0.000 26.938) 30.903 2.416 ( 6.254 -0.000 -4.287) 7.582 2.423 ( 3.880 -0.000 9.534) 10.293 2.656 ( -3.600 0.000 7.266) 8.109 2.690 ( 16.955 -0.000 -15.759) 23.148 3.180 ( 2.764 -0.000 -2.739) 3.891 3.676 ( 5.517 -0.000 -14.306) 15.333 3.767 ( -4.231 0.000 -1.764) 4.584 3.875 ( 3.274 -0.000 -11.289) 11.754 4.233 ( 6.317 -0.000 -1.956) 6.613 4.271 ( 21.775 -0.000 0.941) 21.796 4.287 ( 11.691 -0.000 0.353) 11.696 4.480 ( 6.385 -0.000 -4.536) 7.832 4.530 ( 28.466 -0.000 2.952) 28.619 4.602 ( 24.484 -0.000 -4.133) 24.830 5.050 ( 5.980 -0.000 16.568) 17.615 5.458 ( -2.365 0.000 -2.411) 3.377 5.475 ( -9.675 0.000 1.839) 9.848 5.618 ( 3.668 -0.000 -4.034) 5.452 5.787 ( 1.627 -0.000 15.159) 15.246 6.203 ( 5.354 -0.000 5.920) 7.982 6.355 ( -5.301 0.000 -5.587) 7.702 6.432 ( -6.270 0.000 3.636) 7.248 6.618 ( 2.720 -0.000 -8.488) 8.913 6.838 ( -2.735 0.000 -14.391) 14.648 7.119 ( -5.892 0.000 5.699) 8.197 7.365 ( -19.484 0.000 -3.515) 19.799 7.581 ( 1.229 -0.000 -0.986) 1.575 7.647 ( -1.035 0.000 -2.911) 3.090 7.772 ( -0.001 0.000 6.996) 6.996 8.078 ( 4.570 -0.000 -6.277) 7.764 8.123 ( -11.792 0.000 5.874) 13.174 8.311 ( -7.226 0.000 -1.309) 7.343 8.749 ( 0.385 -0.000 7.233) 7.243 8.777 ( 8.219 -0.000 3.239) 8.834 8.962 ( 7.217 -0.000 0.851) 7.267 9.263 ( 7.968 -0.000 -7.343) 10.835 9.756 ( 13.504 -0.000 7.499) 15.447 10.140 ( -4.973 0.000 -5.034) 7.076 10.260 ( -5.500 0.000 5.321) 7.653 10.735 ( -3.853 0.000 -15.079) 15.563 10.928 ( -1.390 0.000 -1.456) 2.013 10.935 ( -0.225 0.000 -0.919) 0.946 11.936 ( -2.456 0.000 0.667) 2.545 11.952 ( -2.226 0.000 -0.353) 2.254 12.204 ( 5.948 -0.000 6.437) 8.764 12.649 ( 3.901 -0.000 -13.527) 14.078 13.308 ( 0.601 -0.000 12.213) 12.227 13.717 ( 4.074 -0.000 -8.417) 9.351 13.756 ( -1.829 0.000 11.957) 12.096 14.217 ( -6.807 0.000 -3.764) 7.778 14.280 ( -2.648 0.000 4.417) 5.150 14.363 ( -5.805 0.000 -1.233) 5.934 14.385 ( 1.967 -0.000 5.726) 6.055 14.951 ( 13.419 -0.000 -15.628) 20.599 16.125 ( 3.424 -0.000 18.572) 18.886 16.531 ( -4.737 0.000 10.368) 11.399 16.696 ( 1.693 -0.000 -6.957) 7.160 17.042 ( 2.999 -0.000 -7.438) 8.020 17.338 ( 1.354 -0.000 10.249) 10.338 17.456 ( 3.172 -0.000 5.605) 6.440 17.993 ( 5.652 -0.000 -12.014) 13.277 18.098 ( -0.851 0.000 -24.287) 24.302 19.191 ( -3.035 0.000 20.845) 21.065 19.682 ( 2.127 -0.000 -2.916) 3.609 20.171 ( -2.090 0.000 0.842) 2.253 20.282 ( 7.473 -0.000 -2.759) 7.966 20.896 ( 0.741 -0.000 0.920) 1.181 20.946 ( 7.696 -0.000 -0.713) 7.729 20.959 ( 5.639 -0.000 1.217) 5.769 21.176 ( 0.764 -0.000 -8.200) 8.236 21.954 ( -3.993 0.000 7.420) 8.426 22.186 ( -10.728 0.000 -2.747) 11.074 22.811 ( 1.001 -0.000 4.373) 4.486 23.042 ( 0.427 -0.000 -4.304) 4.325 24.760 ( -2.129 0.000 5.966) 6.334 25.013 ( -3.866 0.000 -3.680) 5.338 ======================= Grid point 104 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 7.276 1.779 6.774) 10.099 2.256 ( 5.232 -3.111 5.285) 8.061 2.404 ( -1.854 2.978 0.926) 3.628 2.467 ( 2.740 11.796 -2.214) 12.311 2.615 ( 6.071 -7.954 21.829) 24.013 3.049 ( 9.389 -9.151 -6.057) 14.443 3.210 ( -0.717 -3.653 -8.981) 9.722 3.586 ( -2.284 12.317 3.666) 13.053 3.784 ( 9.000 1.003 -5.635) 10.666 3.969 ( 5.351 -6.417 -6.791) 10.767 4.305 ( 3.268 4.084 -2.899) 5.981 4.453 ( 9.594 1.036 -8.267) 12.706 4.555 ( 13.545 7.165 -0.178) 15.325 4.591 ( 9.492 7.330 -2.234) 12.199 4.825 ( 8.795 -1.434 8.120) 12.055 5.029 ( 9.457 -2.478 -3.523) 10.392 5.193 ( -13.556 -4.736 8.197) 16.534 5.349 ( 15.345 -2.493 1.718) 15.641 5.369 ( -7.685 -3.044 -2.147) 8.540 5.676 ( 2.437 -0.057 -5.887) 6.371 5.829 ( 4.091 -1.276 15.564) 16.143 6.270 ( 2.205 4.321 4.819) 6.838 6.300 ( -6.140 -3.418 -0.467) 7.043 6.334 ( -0.404 -2.631 2.862) 3.908 6.684 ( 1.595 -4.516 -5.592) 7.363 6.768 ( -3.114 4.037 -13.867) 14.775 7.024 ( -6.103 -1.716 -1.770) 6.582 7.141 ( -11.317 -7.634 -3.417) 14.072 7.479 ( -6.748 8.736 -0.405) 11.046 7.527 ( -7.383 7.600 -1.488) 10.699 7.824 ( 2.007 -2.162 7.110) 7.698 7.915 ( -10.956 -2.414 8.963) 14.360 8.141 ( -2.764 -4.706 -4.368) 6.990 8.252 ( 1.480 -1.756 -5.344) 5.817 8.677 ( 0.763 9.948 8.247) 12.945 8.889 ( 6.179 4.192 0.202) 7.469 9.041 ( 6.924 5.106 3.951) 9.468 9.365 ( 4.402 1.706 -6.493) 8.028 10.018 ( 12.813 -1.057 0.329) 12.861 10.042 ( -3.781 2.831 -2.145) 5.188 10.225 ( -2.114 -6.276 6.227) 9.090 10.667 ( -2.334 0.640 -10.959) 11.223 10.922 ( -0.066 -0.978 -0.048) 0.982 10.948 ( 0.314 -1.424 -1.013) 1.776 11.948 ( 3.895 0.084 0.698) 3.958 11.984 ( 4.783 -1.132 -0.871) 4.992 12.329 ( 6.660 -2.611 5.914) 9.282 12.736 ( 4.711 -1.651 -12.327) 13.299 13.300 ( -0.004 2.031 12.496) 12.660 13.669 ( -1.112 5.217 2.313) 5.814 13.797 ( -0.435 -1.406 -4.832) 5.051 14.039 ( -3.819 7.647 -5.021) 9.913 14.181 ( -6.714 -2.077 3.974) 8.073 14.319 ( -6.511 -5.581 -2.842) 9.034 14.504 ( 6.555 -2.936 12.945) 14.804 15.209 ( 11.468 -5.316 -17.787) 21.820 16.212 ( 6.944 1.007 18.031) 19.348 16.470 ( -2.800 -1.466 12.250) 12.652 16.756 ( 6.331 1.719 -6.763) 9.422 17.105 ( 3.557 -0.728 -9.973) 10.614 17.401 ( 5.383 -0.290 10.772) 12.046 17.574 ( 9.471 -0.679 4.561) 10.534 18.071 ( 4.799 2.626 -13.081) 14.179 18.106 ( 2.043 -0.257 -20.855) 20.957 19.128 ( -4.667 -0.546 21.034) 21.553 19.673 ( -2.510 0.328 -4.733) 5.367 20.090 ( -5.889 1.102 3.983) 7.195 20.358 ( 2.199 1.718 -6.089) 6.698 20.852 ( 2.374 9.905 5.140) 11.409 20.919 ( 0.575 11.791 2.446) 12.056 21.061 ( 1.604 -0.238 -2.672) 3.126 21.207 ( 0.965 -3.936 -9.742) 10.552 21.878 ( -0.405 2.662 8.488) 8.905 22.165 ( -3.674 -12.695 -3.940) 13.790 22.810 ( -2.178 -1.375 4.524) 5.206 23.042 ( -2.546 -2.828 -4.192) 5.661 24.737 ( -0.485 0.044 5.006) 5.029 24.963 ( -2.432 -0.893 -3.471) 4.332 ======================= Grid point 105 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -8.737 3.239 0.531) 9.333 2.187 ( -13.639 -0.747 -0.937) 13.691 2.345 ( 3.656 14.016 -3.274) 14.851 2.448 ( 7.535 -1.887 -4.748) 9.103 2.828 ( 5.100 7.932 21.524) 23.499 3.046 ( -3.518 -7.542 3.773) 9.137 3.404 ( 5.789 -7.947 -6.630) 11.858 3.481 ( 2.929 6.492 0.704) 7.157 3.910 ( 3.525 4.172 1.320) 5.619 4.188 ( 3.621 -4.287 -0.973) 5.695 4.255 ( 3.963 6.293 -6.891) 10.139 4.433 ( -8.507 11.515 0.985) 14.350 4.475 ( -1.224 8.910 0.435) 9.004 4.655 ( 9.183 4.537 -9.299) 13.834 4.741 ( -11.027 8.804 12.846) 19.082 4.959 ( 4.474 4.792 2.655) 7.073 5.223 ( -7.262 -9.011 -7.364) 13.717 5.363 ( 1.211 -3.313 -8.918) 9.591 5.641 ( 10.962 -4.765 5.115) 13.001 5.730 ( 2.916 -2.978 2.052) 4.645 5.986 ( 8.494 -1.733 6.156) 10.632 6.137 ( -3.310 6.683 9.943) 12.429 6.342 ( 1.171 -4.575 -1.623) 4.993 6.404 ( 2.209 -2.033 1.344) 3.290 6.641 ( -3.301 5.323 -9.743) 11.583 6.783 ( 1.471 -4.913 -7.795) 9.330 6.950 ( -5.908 -0.616 -1.990) 6.264 7.117 ( -6.329 -9.392 -4.724) 12.271 7.212 ( -8.806 8.451 -0.445) 12.213 7.263 ( -11.725 4.804 -0.582) 12.685 7.726 ( -12.387 -5.266 9.715) 16.600 7.951 ( 4.165 -1.683 6.987) 8.307 8.128 ( -7.194 -7.622 -4.474) 11.396 8.334 ( 5.026 1.314 -5.694) 7.708 8.531 ( -1.361 12.012 9.639) 15.462 8.898 ( 6.610 10.867 -5.110) 13.707 9.102 ( 8.167 4.437 6.425) 11.299 9.377 ( 1.339 2.749 -3.572) 4.703 9.951 ( -3.991 1.246 -1.174) 4.343 10.090 ( -3.193 -1.370 -2.752) 4.432 10.403 ( 12.061 -3.382 4.559) 13.330 10.675 ( 3.845 0.140 -6.309) 7.390 10.941 ( 0.336 -1.407 -0.073) 1.448 10.978 ( 0.766 -1.795 -1.469) 2.443 12.053 ( 8.635 0.672 1.207) 8.744 12.125 ( 10.183 -0.470 -1.645) 10.326 12.477 ( 5.753 -2.954 5.536) 8.514 12.816 ( 2.852 0.620 -8.538) 9.023 13.292 ( 2.991 0.872 7.661) 8.270 13.576 ( -2.144 6.648 -2.073) 7.286 13.701 ( -3.816 5.708 2.136) 7.190 14.010 ( -1.236 -5.780 -6.530) 8.808 14.102 ( -5.759 -2.353 1.630) 6.431 14.254 ( -7.875 -3.656 -3.009) 9.189 14.652 ( 6.050 -3.018 15.725) 17.117 15.433 ( 7.603 -3.834 -19.493) 21.272 16.296 ( 5.196 3.202 16.978) 18.041 16.505 ( 3.319 -3.948 13.367) 14.328 16.855 ( 10.222 5.343 -6.656) 13.317 17.177 ( 3.916 -0.749 -12.324) 12.953 17.515 ( 8.164 0.650 9.622) 12.636 17.769 ( 13.010 0.752 3.202) 13.419 18.101 ( 4.032 4.322 -10.373) 11.939 18.159 ( 3.978 0.374 -16.538) 17.014 19.050 ( -6.120 -1.532 19.702) 20.688 19.599 ( -6.120 -0.479 -6.166) 8.701 19.946 ( -9.283 1.869 5.093) 10.751 20.285 ( -5.016 7.416 -9.586) 13.117 20.709 ( 1.303 15.217 6.500) 16.598 20.771 ( -2.467 8.836 9.446) 13.168 21.038 ( -1.540 0.588 -6.209) 6.424 21.289 ( 3.322 -1.811 -12.708) 13.260 21.910 ( 3.198 -2.439 11.323) 12.016 22.294 ( -0.261 -11.935 -5.856) 13.297 22.775 ( -4.644 -2.540 5.487) 7.624 23.029 ( -4.262 -4.623 -4.442) 7.699 24.741 ( 0.729 -0.229 4.758) 4.819 24.957 ( -0.727 -2.361 -3.304) 4.125 ======================= Grid point 106 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -18.592 1.620 2.752) 18.864 1.960 ( -12.691 -0.158 -3.058) 13.055 2.249 ( 4.113 11.846 -2.536) 12.794 2.452 ( -3.158 15.714 -5.465) 16.934 2.752 ( 6.217 0.194 10.768) 12.435 3.080 ( -12.830 3.827 1.914) 13.525 3.305 ( -15.859 8.111 -5.875) 18.757 3.552 ( 5.046 3.530 -13.446) 14.789 3.700 ( -11.086 -5.143 18.867) 22.479 3.989 ( -5.765 9.543 6.112) 12.715 4.245 ( 2.259 2.632 -0.239) 3.477 4.433 ( -0.120 18.406 5.897) 19.328 4.480 ( 7.596 3.574 -5.047) 9.795 4.506 ( 6.920 2.515 5.724) 9.326 4.731 ( 9.728 12.353 -4.398) 16.327 4.853 ( 2.663 16.779 2.540) 17.178 5.176 ( -4.356 -2.637 -8.550) 9.951 5.455 ( -0.889 -8.048 -10.209) 13.030 5.806 ( -0.214 0.824 6.636) 6.691 5.823 ( 3.103 -2.575 5.125) 6.521 5.956 ( -4.107 -1.113 7.392) 8.529 6.132 ( 5.998 7.658 5.602) 11.225 6.410 ( 0.027 -2.142 -8.404) 8.673 6.419 ( 0.257 2.107 -1.287) 2.483 6.540 ( -1.443 2.143 -4.601) 5.277 6.795 ( -4.073 3.842 -7.575) 9.420 6.863 ( -4.137 -6.209 0.781) 7.502 7.040 ( -4.839 -1.050 -3.185) 5.887 7.101 ( -7.264 -3.559 -1.447) 8.218 7.122 ( -6.733 -8.102 -3.019) 10.959 7.615 ( -10.373 -9.124 9.736) 16.901 8.009 ( -0.339 -2.747 2.283) 3.588 8.076 ( -5.474 -0.480 -0.907) 5.570 8.323 ( -0.611 8.720 5.337) 10.242 8.375 ( -0.967 6.586 1.436) 6.810 8.858 ( 5.732 11.732 -9.213) 15.981 9.223 ( 9.809 0.794 5.629) 11.338 9.376 ( 2.899 2.417 1.267) 3.981 9.862 ( -5.109 1.564 -0.175) 5.345 10.044 ( -4.194 -3.216 -5.485) 7.617 10.621 ( 10.628 0.321 3.427) 11.171 10.765 ( 5.886 0.051 -2.945) 6.582 10.961 ( 0.354 -0.590 -0.327) 0.762 11.014 ( 0.984 -1.429 -2.354) 2.924 12.204 ( 10.175 1.809 2.035) 10.533 12.322 ( 12.538 0.430 -2.499) 12.791 12.551 ( 1.736 2.510 5.233) 6.058 12.827 ( 1.398 1.657 -5.038) 5.485 13.368 ( 0.295 0.221 0.935) 1.005 13.471 ( 4.102 3.070 -2.050) 5.518 13.590 ( -4.794 1.753 8.633) 10.029 14.015 ( -6.234 -4.884 2.739) 8.379 14.093 ( -0.170 -3.393 -12.260) 12.722 14.153 ( -8.372 -3.059 -2.472) 9.250 14.776 ( 4.496 -2.335 16.149) 16.925 15.554 ( 4.426 0.400 -19.859) 20.351 16.330 ( 3.373 1.822 15.061) 15.542 16.637 ( 6.197 -2.136 12.864) 14.437 16.959 ( 11.327 7.522 -7.468) 15.513 17.252 ( 4.819 1.132 -11.355) 12.387 17.657 ( 10.578 2.024 6.784) 12.729 17.974 ( 13.223 3.249 0.735) 13.636 18.099 ( 2.911 4.399 -6.368) 8.269 18.235 ( 5.907 0.986 -10.103) 11.744 18.951 ( -9.002 -2.610 18.152) 20.429 19.471 ( -10.461 -0.060 -3.885) 11.159 19.731 ( -12.074 1.999 0.725) 12.260 20.014 ( -8.363 15.474 -10.969) 20.729 20.566 ( 1.350 11.612 8.619) 14.525 20.638 ( -2.709 4.421 13.471) 14.434 21.017 ( -1.067 -0.364 -7.807) 7.888 21.347 ( 2.626 0.861 -15.419) 15.664 22.011 ( 3.580 -3.720 12.349) 13.385 22.434 ( 0.631 -9.169 -6.991) 11.547 22.732 ( -4.492 -4.040 6.733) 9.046 23.021 ( -3.855 -5.384 -5.158) 8.394 24.766 ( 1.241 -0.967 5.267) 5.497 24.995 ( 0.595 -3.673 -3.354) 5.009 ======================= Grid point 107 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -22.867 2.783 7.015) 24.080 1.772 ( -9.126 -0.024 -6.498) 11.203 2.102 ( -2.509 21.211 6.536) 22.336 2.229 ( 3.957 10.449 -1.877) 11.330 2.533 ( -18.689 17.397 2.747) 25.681 2.764 ( -22.152 17.045 -6.106) 28.610 2.953 ( 2.771 -8.036 -2.435) 8.842 3.515 ( 1.812 10.664 -15.541) 18.934 3.734 ( 1.436 2.199 12.223) 12.502 3.939 ( 3.435 6.718 10.666) 13.065 4.057 ( -3.374 20.565 6.820) 21.928 4.255 ( 4.105 7.410 -0.923) 8.521 4.406 ( 2.052 15.961 -2.661) 16.311 4.507 ( -5.609 19.829 -6.327) 21.556 4.745 ( 14.676 -2.025 7.361) 16.543 4.850 ( 8.308 5.328 9.791) 13.902 5.208 ( 3.074 -2.555 -8.577) 9.463 5.432 ( -9.313 0.622 -2.415) 9.641 5.660 ( -4.258 6.586 1.615) 8.007 5.786 ( -4.160 6.081 4.755) 8.769 5.983 ( -0.447 2.030 -0.766) 2.216 6.079 ( 1.953 6.990 12.743) 14.665 6.367 ( -3.952 -7.292 -17.363) 19.242 6.462 ( 2.896 1.417 -1.946) 3.766 6.534 ( 0.002 -0.121 -2.288) 2.292 6.763 ( 0.005 -7.052 -0.726) 7.089 6.854 ( -3.220 -3.547 -0.044) 4.791 7.001 ( -6.441 2.445 -6.703) 9.613 7.022 ( -6.220 -7.665 -0.404) 9.880 7.139 ( -1.571 -5.738 -6.257) 8.634 7.620 ( -5.097 -12.438 8.036) 15.661 7.954 ( -2.240 7.993 6.444) 10.509 8.053 ( 0.713 -5.116 1.023) 5.265 8.200 ( -4.310 2.152 7.549) 8.955 8.271 ( -1.621 7.019 -2.701) 7.693 8.806 ( 3.351 8.980 -11.038) 14.619 9.346 ( 3.696 1.884 3.602) 5.494 9.446 ( 9.377 2.084 3.748) 10.311 9.731 ( -6.754 2.703 2.319) 7.636 10.047 ( -1.905 -5.400 -8.930) 10.609 10.746 ( 6.205 2.552 5.330) 8.569 10.847 ( 3.296 -0.049 -1.072) 3.466 10.964 ( 0.004 0.625 -1.658) 1.772 11.038 ( 0.427 -0.213 -3.292) 3.326 12.300 ( 4.839 6.202 4.351) 8.989 12.519 ( 9.102 0.759 -1.736) 9.297 12.532 ( 5.113 2.966 1.614) 6.128 12.803 ( -2.309 2.883 -9.170) 9.886 13.310 ( -1.826 -0.090 8.793) 8.981 13.450 ( -4.507 5.892 9.363) 11.945 13.641 ( 6.132 -6.011 -1.990) 8.814 13.987 ( -3.432 -4.572 1.285) 5.859 14.039 ( -5.507 -1.086 -1.889) 5.922 14.145 ( -1.323 -4.259 -16.256) 16.857 14.860 ( 2.609 -1.416 15.392) 15.676 15.588 ( 2.714 3.430 -19.443) 19.929 16.372 ( 2.850 -0.011 12.787) 13.100 16.739 ( 4.682 1.040 8.843) 10.060 17.034 ( 7.230 6.540 -7.830) 12.504 17.293 ( 4.805 6.224 -7.555) 10.904 17.814 ( 10.354 2.372 3.369) 11.144 18.029 ( -0.090 3.164 -5.715) 6.533 18.197 ( 12.539 3.012 2.702) 13.176 18.328 ( 6.794 1.554 -3.523) 7.809 18.798 ( -13.144 -2.894 17.980) 22.459 19.205 ( -14.030 7.920 2.062) 16.242 19.549 ( -10.346 -1.676 -6.322) 12.240 19.697 ( -3.348 14.552 -12.842) 19.695 20.437 ( -0.182 10.870 14.393) 18.037 20.585 ( -1.028 -0.928 12.105) 12.184 21.006 ( -0.739 -0.242 -8.819) 8.853 21.354 ( 1.209 3.248 -18.000) 18.330 22.113 ( 2.279 -4.441 13.111) 14.030 22.523 ( -0.741 -4.858 -4.915) 6.950 22.751 ( -0.922 -6.635 4.989) 8.353 23.042 ( -1.571 -5.707 -6.411) 8.726 24.805 ( 1.046 -2.076 6.356) 6.767 25.061 ( 0.920 -4.443 -3.471) 5.712 ======================= Grid point 108 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 9.020 11.099) 14.302 1.681 ( 0.000 2.759 -11.818) 12.136 1.758 ( 0.000 26.881 12.124) 29.489 2.076 ( 0.000 17.340 4.524) 17.921 2.259 ( 0.000 1.419 -9.059) 9.169 2.339 ( 0.000 16.789 -3.715) 17.195 2.985 ( 0.000 13.197 10.911) 17.123 3.394 ( 0.000 10.857 -8.017) 13.497 3.544 ( 0.000 17.559 0.034) 17.559 3.663 ( 0.000 24.884 8.721) 26.368 4.051 ( -0.000 -4.715 4.838) 6.756 4.084 ( 0.000 29.677 -6.635) 30.409 4.213 ( 0.000 16.368 -7.218) 17.889 4.359 ( -0.000 -6.125 -5.771) 8.416 4.836 ( 0.000 0.808 14.862) 14.884 5.087 ( -0.000 -3.182 1.032) 3.345 5.151 ( -0.000 -1.869 11.315) 11.468 5.301 ( 0.000 4.225 -8.079) 9.117 5.586 ( 0.000 1.496 2.437) 2.860 5.603 ( 0.000 11.582 3.592) 12.126 5.850 ( 0.000 12.929 -4.217) 13.600 6.042 ( 0.000 3.020 15.928) 16.211 6.449 ( 0.000 2.059 -1.562) 2.585 6.508 ( 0.000 1.520 1.255) 1.971 6.520 ( -0.000 -15.389 -26.320) 30.489 6.846 ( 0.000 5.034 -8.909) 10.233 6.889 ( -0.000 -0.332 3.704) 3.719 6.913 ( -0.000 -11.107 3.297) 11.586 7.046 ( -0.000 -8.320 -1.972) 8.550 7.170 ( -0.000 -2.584 -10.808) 11.112 7.715 ( -0.000 -5.606 8.030) 9.793 7.869 ( -0.000 -1.628 8.863) 9.011 8.071 ( 0.000 5.556 17.549) 18.407 8.135 ( 0.000 5.519 -4.833) 7.336 8.262 ( -0.000 -13.091 -6.243) 14.504 8.736 ( 0.000 7.057 -10.764) 12.871 9.331 ( 0.000 4.421 2.803) 5.235 9.464 ( 0.000 13.446 -1.357) 13.515 9.668 ( -0.000 -5.408 7.419) 9.181 10.100 ( -0.000 -4.980 -10.835) 11.925 10.765 ( 0.000 2.717 8.292) 8.726 10.869 ( 0.000 0.874 -1.228) 1.508 10.946 ( 0.000 2.123 -3.772) 4.328 11.037 ( 0.000 0.447 -3.477) 3.506 12.226 ( 0.000 8.915 6.227) 10.874 12.564 ( -0.000 -0.411 1.670) 1.720 12.649 ( 0.000 0.719 -1.511) 1.674 12.691 ( 0.000 5.066 -14.608) 15.462 13.301 ( 0.000 9.670 11.410) 14.956 13.328 ( -0.000 -4.486 12.980) 13.733 13.765 ( -0.000 -4.557 -2.656) 5.275 14.016 ( -0.000 -4.367 0.100) 4.368 14.021 ( -0.000 -3.240 -0.096) 3.241 14.172 ( -0.000 -2.861 -19.684) 19.891 14.892 ( 0.000 0.256 14.024) 14.026 15.560 ( 0.000 5.458 -19.478) 20.228 16.411 ( -0.000 -1.026 10.361) 10.411 16.755 ( 0.000 3.505 2.830) 4.505 17.023 ( 0.000 5.228 -5.017) 7.246 17.239 ( 0.000 8.719 -5.042) 10.072 17.891 ( 0.000 1.950 1.595) 2.519 17.992 ( 0.000 1.903 -2.324) 3.003 18.320 ( 0.000 0.600 1.990) 2.079 18.404 ( 0.000 0.629 -1.253) 1.402 18.655 ( -0.000 -2.145 21.948) 22.052 18.925 ( 0.000 9.886 4.057) 10.686 19.364 ( 0.000 13.097 -8.703) 15.725 19.625 ( -0.000 -4.324 -14.052) 14.702 20.307 ( 0.000 8.441 18.694) 20.511 20.608 ( -0.000 -3.470 9.989) 10.575 20.998 ( 0.000 0.552 -8.747) 8.765 21.307 ( 0.000 5.758 -20.235) 21.038 22.195 ( -0.000 -5.344 14.124) 15.101 22.555 ( -0.000 -2.398 -1.559) 2.861 22.832 ( -0.000 -5.780 2.073) 6.140 23.107 ( -0.000 -5.819 -8.379) 10.201 24.849 ( -0.000 -3.278 7.765) 8.429 25.127 ( -0.000 -4.473 -3.410) 5.625 ======================= Grid point 113 (45/75) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -8.976 0.000 -0.350) 8.983 2.154 ( -14.518 0.000 -0.152) 14.519 2.503 ( 7.019 -0.000 8.991) 11.406 2.605 ( 8.503 -0.000 13.591) 16.031 2.704 ( 8.036 -0.000 -2.512) 8.419 3.116 ( -2.704 0.000 -0.854) 2.835 3.191 ( 8.909 -0.000 -6.188) 10.847 3.623 ( -2.972 0.000 7.403) 7.977 3.991 ( 12.301 -0.000 -5.524) 13.485 4.066 ( 10.387 -0.000 -2.454) 10.673 4.386 ( -1.948 0.000 -6.705) 6.982 4.573 ( -20.467 0.000 4.164) 20.886 4.591 ( 4.377 -0.000 -5.424) 6.970 4.861 ( -4.290 0.000 -14.197) 14.831 4.890 ( -2.219 0.000 9.383) 9.642 4.928 ( 10.811 -0.000 5.447) 12.106 4.929 ( 0.678 -0.000 -0.562) 0.881 5.370 ( 4.614 -0.000 -5.383) 7.090 5.593 ( 8.748 -0.000 4.721) 9.941 5.720 ( 1.704 -0.000 -2.797) 3.276 5.897 ( 5.811 -0.000 8.950) 10.671 6.235 ( 1.824 -0.000 -0.308) 1.850 6.256 ( -1.740 0.000 10.521) 10.664 6.403 ( 6.064 -0.000 1.833) 6.335 6.662 ( 0.248 -0.000 0.737) 0.777 6.759 ( -2.542 0.000 -11.947) 12.215 6.935 ( -5.417 0.000 -1.986) 5.769 6.956 ( -2.007 0.000 -9.123) 9.341 7.379 ( -11.862 0.000 -1.911) 12.015 7.416 ( -12.931 0.000 -1.573) 13.027 7.644 ( -12.268 0.000 8.241) 14.779 7.944 ( -12.052 0.000 -4.254) 12.781 7.954 ( 8.292 -0.000 9.310) 12.468 8.343 ( 7.628 -0.000 -6.690) 10.146 8.722 ( -2.325 0.000 9.118) 9.410 9.003 ( 4.542 -0.000 -0.484) 4.568 9.183 ( 5.999 -0.000 2.861) 6.646 9.437 ( 1.970 -0.000 -7.772) 8.018 10.011 ( -4.287 0.000 1.660) 4.597 10.013 ( -6.520 0.000 1.146) 6.620 10.355 ( 16.906 -0.000 2.935) 17.159 10.679 ( 3.997 -0.000 -9.141) 9.977 10.919 ( 0.597 -0.000 0.066) 0.600 10.949 ( 0.761 -0.000 -0.798) 1.103 12.064 ( 9.264 -0.000 0.912) 9.309 12.117 ( 11.038 -0.000 -1.333) 11.118 12.430 ( 6.924 -0.000 5.839) 9.058 12.809 ( 4.617 -0.000 -11.122) 12.042 13.327 ( 1.494 -0.000 11.985) 12.078 13.660 ( -4.551 0.000 6.666) 8.071 13.776 ( -0.315 0.000 -9.726) 9.731 14.011 ( -6.409 0.000 -6.752) 9.309 14.066 ( -5.721 0.000 2.366) 6.191 14.136 ( -7.343 0.000 -1.299) 7.457 14.606 ( 6.682 -0.000 14.643) 16.096 15.369 ( 10.286 -0.000 -19.513) 22.058 16.375 ( 10.378 -0.000 19.245) 21.865 16.417 ( -1.787 0.000 13.245) 13.365 16.931 ( 12.601 -0.000 -6.443) 14.153 17.161 ( 3.329 -0.000 -13.426) 13.832 17.522 ( 8.837 -0.000 9.639) 13.077 17.775 ( 14.067 -0.000 3.458) 14.486 18.154 ( 4.576 -0.000 -15.715) 16.367 18.171 ( 3.751 -0.000 -13.081) 13.608 19.030 ( -6.446 0.000 19.815) 20.837 19.599 ( -6.662 0.000 -6.757) 9.488 19.964 ( -8.740 0.000 7.610) 11.589 20.371 ( -2.269 0.000 -8.841) 9.127 20.930 ( 0.291 -0.000 5.492) 5.500 21.047 ( -1.802 0.000 -1.977) 2.675 21.084 ( -3.858 0.000 -2.602) 4.654 21.118 ( 3.131 -0.000 -1.219) 3.361 21.946 ( 2.180 -0.000 2.985) 3.696 22.035 ( 1.727 -0.000 -0.557) 1.814 22.740 ( -4.834 0.000 3.879) 6.198 22.960 ( -4.663 0.000 -4.191) 6.269 24.740 ( 0.692 -0.000 3.916) 3.977 24.923 ( -1.466 0.000 -2.910) 3.258 ======================= Grid point 114 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -19.215 1.519 0.898) 19.296 1.913 ( -15.671 -2.303 -2.197) 15.991 2.547 ( 5.469 5.047 1.873) 7.674 2.698 ( 8.024 16.883 -6.659) 19.843 2.878 ( 3.293 -13.033 6.370) 14.875 3.053 ( 3.244 8.022 11.747) 14.590 3.340 ( -1.928 -3.273 -1.073) 3.948 3.569 ( -0.046 -1.681 3.849) 4.200 3.761 ( -30.489 7.382 3.900) 31.611 4.182 ( 2.865 -4.144 -3.552) 6.165 4.318 ( -10.678 13.830 0.148) 17.474 4.451 ( 13.382 -2.483 -7.011) 15.310 4.547 ( 3.677 -0.030 3.363) 4.983 4.780 ( 1.447 6.051 -1.940) 6.517 4.881 ( 4.579 -1.401 -6.587) 8.143 5.082 ( 4.950 0.121 -0.530) 4.979 5.182 ( 11.555 -2.585 -1.367) 11.919 5.343 ( -1.098 6.989 -9.949) 12.208 5.693 ( 2.158 -3.466 11.224) 11.944 5.753 ( 2.651 -2.277 4.860) 5.986 5.960 ( -3.125 -2.447 0.203) 3.974 6.271 ( 7.797 4.228 10.731) 13.922 6.331 ( 3.164 -2.460 -1.891) 4.432 6.483 ( 4.740 2.077 0.463) 5.195 6.653 ( -4.282 2.360 -5.227) 7.158 6.713 ( 0.713 -2.493 1.662) 3.080 6.910 ( -3.095 2.605 -7.196) 8.255 6.935 ( -2.583 -5.992 -2.206) 6.888 7.102 ( -15.209 5.567 -0.741) 16.213 7.162 ( -8.298 3.869 -6.829) 11.421 7.456 ( -11.577 -2.122 6.711) 13.549 7.786 ( -13.397 -9.468 -6.223) 17.545 8.106 ( 8.729 0.826 9.150) 12.672 8.462 ( 6.799 2.334 -5.722) 9.188 8.615 ( -3.931 7.755 9.709) 13.033 9.042 ( 1.630 2.220 -6.308) 6.883 9.267 ( 6.089 1.914 4.556) 7.842 9.443 ( 2.065 2.929 -1.963) 4.086 9.882 ( -5.754 0.946 0.240) 5.837 9.953 ( -6.881 -3.829 0.122) 7.876 10.626 ( 13.984 0.146 1.410) 14.055 10.778 ( 6.445 0.621 -5.224) 8.319 10.943 ( 1.757 -0.421 -0.388) 1.848 10.972 ( 1.008 -1.496 -1.433) 2.304 12.241 ( 11.777 1.016 1.522) 11.918 12.330 ( 13.343 0.101 -2.164) 13.518 12.547 ( 5.357 -1.090 5.561) 7.798 12.864 ( 1.386 0.578 -7.878) 8.020 13.356 ( 2.901 0.686 8.171) 8.698 13.568 ( -3.918 1.235 5.160) 6.596 13.708 ( -4.954 5.924 -5.176) 9.297 13.894 ( -5.214 -2.410 -1.266) 5.882 14.013 ( -2.234 -1.919 -5.826) 6.528 14.054 ( -7.847 -4.941 -2.078) 9.502 14.715 ( 4.713 -1.697 16.032) 16.796 15.526 ( 6.691 -1.390 -20.973) 22.058 16.382 ( 0.332 1.936 14.393) 14.526 16.569 ( 8.931 -2.314 19.875) 21.912 17.138 ( 12.383 5.702 -10.181) 17.015 17.238 ( 7.131 -2.130 -12.920) 14.911 17.689 ( 11.001 0.584 6.663) 12.875 18.019 ( 14.213 0.703 1.690) 14.331 18.193 ( 0.890 2.433 -10.204) 10.528 18.251 ( 6.522 0.273 -9.075) 11.179 18.910 ( -8.428 -0.863 17.322) 19.283 19.452 ( -10.603 -0.649 -8.435) 13.564 19.808 ( -8.445 2.217 9.811) 13.134 20.275 ( -5.690 4.487 -10.511) 12.767 20.840 ( -3.274 9.805 5.386) 11.656 20.905 ( -0.133 12.638 2.893) 12.966 21.018 ( -1.416 0.500 -2.227) 2.686 21.254 ( 1.161 -8.553 -5.595) 10.286 21.968 ( 3.576 1.090 5.231) 6.429 22.165 ( 2.253 -9.962 -2.444) 10.502 22.659 ( -5.521 -1.597 4.326) 7.194 22.897 ( -4.800 -3.328 -4.554) 7.406 24.756 ( 1.109 0.042 3.519) 3.690 24.919 ( -0.433 -1.939 -2.534) 3.220 ======================= Grid point 115 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -18.497 2.858 4.578) 19.268 1.696 ( -13.168 -4.451 -3.342) 14.296 2.569 ( 7.177 20.214 -4.916) 22.006 2.572 ( 2.035 4.908 -7.109) 8.875 2.858 ( -5.257 7.954 9.109) 13.186 2.976 ( -6.633 13.607 5.236) 16.018 3.108 ( -16.822 9.442 -4.261) 19.756 3.413 ( -3.699 -14.619 21.343) 26.133 3.702 ( 5.672 -2.299 -13.318) 14.657 4.023 ( -2.476 5.137 0.330) 5.713 4.311 ( 4.038 3.620 3.684) 6.557 4.590 ( -1.437 5.024 7.217) 8.910 4.640 ( 3.682 6.065 -2.205) 7.430 4.665 ( 8.024 2.331 -2.100) 8.615 4.944 ( -3.178 3.128 -4.913) 6.635 5.144 ( 7.446 8.900 2.161) 11.804 5.236 ( 5.744 8.157 -8.923) 13.384 5.372 ( 7.194 -1.969 -6.760) 10.066 5.682 ( -8.076 -0.200 10.814) 13.498 5.854 ( 1.842 -1.129 3.845) 4.411 5.949 ( 3.428 -2.070 3.533) 5.340 6.292 ( -8.422 0.474 -8.803) 12.192 6.313 ( 3.857 7.744 6.740) 10.967 6.521 ( 3.524 2.576 0.339) 4.378 6.584 ( 1.481 3.159 0.188) 3.494 6.693 ( -9.377 3.484 0.397) 10.011 6.768 ( -2.473 -2.958 -0.435) 3.880 6.876 ( -7.226 -2.984 -3.026) 8.383 6.994 ( 0.065 -4.567 -2.071) 5.015 7.105 ( 2.989 2.539 -11.053) 11.728 7.337 ( -8.511 -7.718 6.308) 13.108 7.727 ( -10.060 -14.107 -8.028) 19.096 8.189 ( 5.908 6.988 8.761) 12.669 8.415 ( -4.078 10.533 11.638) 16.218 8.488 ( 2.441 7.744 -3.910) 9.012 9.007 ( 0.253 5.174 -12.814) 13.821 9.356 ( 5.369 0.012 6.078) 8.110 9.467 ( 4.084 1.240 6.291) 7.602 9.785 ( -4.985 0.947 -1.571) 5.311 9.905 ( -4.686 -5.584 -4.077) 8.352 10.803 ( 8.020 1.797 2.119) 8.487 10.849 ( 2.785 0.296 -1.497) 3.176 10.966 ( 0.325 -0.129 -1.609) 1.647 11.023 ( 2.255 -0.913 -2.704) 3.638 12.411 ( 10.131 2.918 2.535) 10.843 12.536 ( 9.862 0.385 -1.757) 10.025 12.605 ( 2.066 2.046 3.592) 4.622 12.842 ( -1.981 0.969 -5.040) 5.501 13.364 ( -2.522 2.240 3.400) 4.789 13.537 ( -1.125 0.057 8.748) 8.820 13.568 ( 1.246 2.470 -3.391) 4.376 13.869 ( -3.424 -4.428 1.186) 5.722 13.965 ( -7.421 -3.845 -2.029) 8.600 14.043 ( -0.276 -3.797 -12.111) 12.695 14.802 ( 2.357 -2.519 16.548) 16.904 15.619 ( 2.961 -0.315 -21.335) 21.542 16.376 ( 0.707 0.562 13.933) 13.962 16.718 ( 5.305 -1.656 19.693) 20.462 17.188 ( 3.417 4.132 -16.911) 17.741 17.436 ( 13.936 5.007 -8.668) 17.158 17.861 ( 9.778 1.312 3.257) 10.389 18.107 ( -2.932 2.797 -6.665) 7.800 18.247 ( 9.757 1.132 2.092) 10.042 18.357 ( 6.389 0.769 -3.172) 7.174 18.762 ( -9.937 -0.635 15.388) 18.329 19.287 ( -9.411 -1.422 -8.658) 12.867 19.613 ( -7.092 7.180 8.512) 13.203 20.085 ( -4.400 11.153 -13.045) 17.717 20.667 ( -1.910 8.612 8.733) 12.413 20.748 ( 0.328 12.921 7.328) 14.858 21.000 ( -0.619 0.036 -3.873) 3.922 21.352 ( 0.711 -4.408 -10.068) 11.014 22.026 ( 2.166 -1.826 7.424) 7.947 22.323 ( 0.983 -10.273 -4.553) 11.280 22.611 ( -3.393 -3.718 5.805) 7.683 22.890 ( -2.749 -5.800 -5.131) 8.217 24.774 ( 0.756 -0.393 4.050) 4.139 24.954 ( 0.206 -3.733 -2.681) 4.601 ======================= Grid point 116 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 4.699 8.837) 10.008 1.635 ( -0.000 -4.597 -5.403) 7.094 2.383 ( 0.000 21.025 1.886) 21.110 2.494 ( 0.000 16.093 -5.281) 16.937 2.541 ( 0.000 17.317 1.917) 17.423 2.761 ( 0.000 15.172 -5.638) 16.186 2.893 ( -0.000 -3.898 4.527) 5.974 3.620 ( -0.000 -11.824 8.837) 14.762 3.687 ( 0.000 6.332 -8.245) 10.396 4.060 ( -0.000 -5.665 -1.264) 5.805 4.192 ( 0.000 15.800 8.950) 18.158 4.441 ( 0.000 15.079 5.690) 16.117 4.583 ( 0.000 9.654 0.223) 9.657 4.700 ( 0.000 13.725 -11.652) 18.004 4.858 ( 0.000 0.627 7.896) 7.921 5.071 ( 0.000 6.942 6.675) 9.631 5.209 ( 0.000 9.032 7.554) 11.775 5.427 ( 0.000 6.554 -11.056) 12.853 5.592 ( -0.000 -5.500 -3.852) 6.715 5.846 ( 0.000 5.288 4.449) 6.910 6.005 ( 0.000 0.101 4.203) 4.204 6.203 ( -0.000 -4.384 -20.108) 20.580 6.228 ( 0.000 10.930 9.541) 14.509 6.517 ( 0.000 3.444 0.476) 3.476 6.589 ( 0.000 3.921 -0.660) 3.976 6.614 ( -0.000 -10.068 5.458) 11.452 6.800 ( -0.000 -3.736 1.776) 4.136 6.865 ( -0.000 -5.959 -4.120) 7.245 7.011 ( 0.000 2.872 -4.142) 5.040 7.112 ( 0.000 0.484 -12.975) 12.984 7.401 ( -0.000 -13.451 7.418) 15.361 7.832 ( -0.000 -15.785 -8.605) 17.978 8.112 ( 0.000 11.734 8.125) 14.272 8.255 ( 0.000 8.612 15.713) 17.918 8.385 ( 0.000 10.508 -4.044) 11.259 8.932 ( 0.000 7.392 -13.626) 15.502 9.400 ( 0.000 1.085 5.999) 6.096 9.542 ( -0.000 -3.838 10.021) 10.731 9.689 ( 0.000 5.028 -3.419) 6.080 9.947 ( -0.000 -6.847 -7.402) 10.083 10.843 ( 0.000 3.102 4.765) 5.686 10.872 ( -0.000 -0.208 -0.205) 0.292 10.967 ( -0.000 -0.088 -3.319) 3.320 11.046 ( 0.000 0.205 -3.175) 3.181 12.444 ( 0.000 7.796 5.085) 9.308 12.560 ( 0.000 0.205 2.178) 2.187 12.668 ( 0.000 0.711 -1.829) 1.962 12.788 ( 0.000 2.237 -9.113) 9.384 13.293 ( 0.000 1.976 7.773) 8.021 13.476 ( 0.000 3.939 9.184) 9.993 13.652 ( -0.000 -3.884 -3.184) 5.022 13.896 ( -0.000 -4.859 0.675) 4.905 13.931 ( -0.000 -3.659 -0.642) 3.715 14.093 ( -0.000 -3.994 -15.579) 16.082 14.855 ( -0.000 -2.566 16.290) 16.490 15.637 ( 0.000 1.203 -20.499) 20.534 16.385 ( -0.000 -0.599 12.831) 12.845 16.780 ( -0.000 -0.961 16.151) 16.179 17.166 ( 0.000 4.707 -16.444) 17.104 17.475 ( 0.000 9.924 -8.796) 13.261 17.938 ( 0.000 1.650 1.556) 2.268 18.037 ( 0.000 1.539 -2.304) 2.771 18.335 ( 0.000 0.544 2.044) 2.115 18.420 ( 0.000 0.663 -1.288) 1.448 18.646 ( 0.000 0.444 16.668) 16.674 19.180 ( 0.000 5.469 -4.591) 7.141 19.461 ( 0.000 3.551 2.176) 4.165 19.870 ( 0.000 16.514 -14.782) 22.164 20.582 ( 0.000 3.398 9.201) 9.808 20.589 ( 0.000 12.051 14.381) 18.763 20.996 ( -0.000 -0.254 -6.767) 6.772 21.386 ( -0.000 -0.003 -14.377) 14.377 22.079 ( -0.000 -3.665 9.987) 10.639 22.442 ( -0.000 -7.445 -5.519) 9.268 22.651 ( -0.000 -6.862 6.310) 9.322 22.947 ( -0.000 -6.690 -5.743) 8.817 24.792 ( -0.000 -1.327 5.155) 5.323 25.010 ( -0.000 -4.604 -3.110) 5.557 ======================= Grid point 123 (49/75) ======================= q-point: ( 0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -14.538 0.000 1.599) 14.626 1.603 ( -16.847 0.000 -0.228) 16.848 2.688 ( 3.311 -0.000 10.770) 11.267 2.794 ( 3.395 -0.000 0.628) 3.452 3.029 ( -5.259 0.000 2.077) 5.654 3.029 ( 6.522 -0.000 -11.714) 13.407 3.284 ( -12.304 0.000 20.596) 23.992 3.384 ( -11.074 0.000 -2.321) 11.314 3.484 ( -0.864 0.000 -7.700) 7.748 4.127 ( -0.684 0.000 3.319) 3.388 4.413 ( 3.710 -0.000 1.614) 4.046 4.594 ( 3.099 -0.000 -0.545) 3.147 4.647 ( 9.724 -0.000 -3.182) 10.232 4.820 ( -2.940 0.000 1.379) 3.247 4.858 ( -1.775 0.000 -14.721) 14.827 5.055 ( -2.942 0.000 -6.849) 7.454 5.414 ( 14.992 -0.000 2.905) 15.271 5.517 ( 6.066 -0.000 -1.726) 6.307 5.695 ( 0.937 -0.000 15.658) 15.686 5.796 ( 7.616 -0.000 1.518) 7.766 5.887 ( -3.096 0.000 -1.382) 3.391 6.326 ( -5.988 0.000 -3.185) 6.782 6.428 ( 6.224 -0.000 11.707) 13.259 6.568 ( 3.198 -0.000 0.463) 3.231 6.597 ( 0.618 -0.000 -2.065) 2.156 6.735 ( 1.029 -0.000 1.842) 2.110 6.829 ( -13.181 0.000 -3.051) 13.530 6.841 ( -6.988 0.000 -7.101) 9.962 6.926 ( -1.553 0.000 0.278) 1.578 7.083 ( -0.987 0.000 -1.946) 2.181 7.304 ( -6.845 0.000 -4.908) 8.423 7.481 ( -11.939 0.000 -5.388) 13.099 8.280 ( 9.727 -0.000 8.516) 12.928 8.577 ( -6.275 0.000 9.606) 11.474 8.591 ( 5.403 -0.000 -4.769) 7.207 9.051 ( -1.017 0.000 -9.185) 9.241 9.358 ( 3.731 -0.000 6.164) 7.206 9.509 ( 3.064 -0.000 2.129) 3.731 9.794 ( -4.797 0.000 -1.465) 5.016 9.811 ( -5.761 0.000 -0.970) 5.842 10.827 ( 8.739 -0.000 1.005) 8.797 10.855 ( 2.009 -0.000 -2.294) 3.049 10.966 ( -0.189 0.000 -1.637) 1.648 11.006 ( 4.326 -0.000 -2.322) 4.910 12.452 ( 11.256 -0.000 1.864) 11.410 12.537 ( 9.337 -0.000 -1.058) 9.396 12.626 ( 4.654 -0.000 3.531) 5.842 12.857 ( -2.978 0.000 -5.194) 5.987 13.388 ( 0.059 -0.000 4.509) 4.509 13.529 ( -0.131 0.000 7.427) 7.428 13.640 ( -7.202 0.000 -4.851) 8.683 13.805 ( -2.681 0.000 0.363) 2.706 13.900 ( -5.486 0.000 -0.997) 5.576 13.986 ( -0.333 0.000 -10.051) 10.057 14.766 ( 2.421 -0.000 16.552) 16.728 15.608 ( 3.608 -0.000 -22.165) 22.457 16.387 ( -0.277 0.000 13.353) 13.356 16.693 ( 6.044 -0.000 24.181) 24.925 17.235 ( 0.996 -0.000 -18.619) 18.646 17.506 ( 18.233 -0.000 -9.228) 20.435 17.877 ( 9.718 -0.000 3.170) 10.222 18.147 ( -4.023 0.000 -7.614) 8.611 18.261 ( 8.748 -0.000 1.757) 8.923 18.366 ( 6.312 -0.000 -3.178) 7.067 18.754 ( -8.880 0.000 14.382) 16.903 19.260 ( -9.785 0.000 -9.146) 13.394 19.720 ( -4.324 0.000 11.404) 12.196 20.209 ( -4.729 0.000 -9.237) 10.377 20.872 ( -1.776 0.000 2.242) 2.860 20.943 ( -2.319 0.000 -3.089) 3.863 21.048 ( 0.347 -0.000 1.562) 1.600 21.186 ( 0.903 -0.000 -0.782) 1.195 22.018 ( 1.336 -0.000 3.757) 3.987 22.149 ( 2.751 -0.000 -1.535) 3.150 22.566 ( -3.762 0.000 3.878) 5.403 22.805 ( -3.128 0.000 -4.840) 5.763 24.774 ( 0.823 -0.000 2.762) 2.882 24.900 ( -0.172 0.000 -1.902) 1.909 ======================= Grid point 125 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.000 5.004 4.415) 6.673 1.498 ( -0.000 -5.819 -0.574) 5.847 2.657 ( 0.000 5.434 3.145) 6.278 2.861 ( 0.000 7.157 0.876) 7.211 2.891 ( 0.000 7.372 3.013) 7.964 3.035 ( 0.000 5.913 -5.476) 8.059 3.063 ( 0.000 8.660 -3.144) 9.213 3.278 ( -0.000 -0.433 20.251) 20.255 3.628 ( -0.000 -14.475 -13.104) 19.525 4.090 ( 0.000 7.219 1.850) 7.452 4.429 ( 0.000 3.907 6.095) 7.240 4.599 ( 0.000 2.439 4.090) 4.762 4.723 ( 0.000 3.392 -2.952) 4.497 4.763 ( -0.000 -1.243 -6.844) 6.955 4.857 ( -0.000 -2.511 -2.323) 3.421 5.129 ( -0.000 -12.201 -13.069) 17.879 5.424 ( 0.000 13.899 3.233) 14.270 5.595 ( 0.000 3.158 -2.402) 3.968 5.660 ( 0.000 6.593 16.682) 17.937 5.847 ( -0.000 -0.814 0.168) 0.831 5.973 ( -0.000 -3.733 -1.281) 3.946 6.185 ( 0.000 1.357 -0.892) 1.624 6.448 ( 0.000 5.691 9.970) 11.480 6.594 ( 0.000 2.115 0.572) 2.191 6.610 ( 0.000 6.544 -2.619) 7.049 6.644 ( -0.000 -0.685 -0.692) 0.973 6.746 ( 0.000 0.452 2.231) 2.276 6.765 ( -0.000 -1.723 -8.350) 8.526 6.958 ( -0.000 -2.904 -0.765) 3.003 7.130 ( -0.000 -6.911 5.562) 8.871 7.217 ( 0.000 3.540 -12.916) 13.393 7.449 ( -0.000 -11.929 -6.400) 13.537 8.367 ( 0.000 6.307 6.125) 8.791 8.446 ( 0.000 5.171 12.716) 13.727 8.605 ( 0.000 5.489 -3.874) 6.718 9.036 ( 0.000 0.796 -12.428) 12.453 9.398 ( -0.000 -0.635 7.348) 7.375 9.525 ( 0.000 2.124 7.812) 8.096 9.749 ( 0.000 0.647 -3.737) 3.793 9.786 ( -0.000 -5.084 -3.774) 6.332 10.869 ( -0.000 -0.009 -1.099) 1.099 10.902 ( 0.000 1.300 2.648) 2.950 10.959 ( -0.000 -0.314 -3.226) 3.241 11.048 ( 0.000 0.019 -2.856) 2.856 12.570 ( 0.000 0.367 2.313) 2.342 12.587 ( 0.000 3.222 3.948) 5.096 12.682 ( 0.000 0.338 -1.878) 1.908 12.808 ( -0.000 -0.069 -4.319) 4.319 13.367 ( 0.000 2.322 2.515) 3.422 13.530 ( 0.000 1.276 6.903) 7.019 13.580 ( -0.000 -1.921 -2.233) 2.946 13.799 ( -0.000 -2.311 1.154) 2.583 13.859 ( -0.000 -1.731 -1.055) 2.027 14.000 ( -0.000 -2.466 -12.097) 12.346 14.796 ( -0.000 -1.553 16.740) 16.812 15.641 ( -0.000 -0.352 -22.325) 22.328 16.384 ( 0.000 0.203 13.453) 13.455 16.751 ( -0.000 -0.828 24.060) 24.074 17.236 ( 0.000 1.172 -18.960) 18.996 17.676 ( 0.000 4.800 -13.430) 14.262 17.968 ( 0.000 0.630 1.513) 1.639 18.064 ( 0.000 0.560 -2.261) 2.329 18.345 ( 0.000 0.222 2.103) 2.114 18.433 ( 0.000 0.302 -1.345) 1.379 18.655 ( 0.000 0.177 14.011) 14.012 19.178 ( -0.000 -1.448 -9.762) 9.869 19.645 ( 0.000 5.700 10.990) 12.381 20.140 ( 0.000 4.338 -10.192) 11.077 20.775 ( 0.000 10.257 4.312) 11.127 20.889 ( 0.000 7.978 -0.874) 8.026 21.005 ( 0.000 2.386 1.927) 3.068 21.273 ( -0.000 -8.367 -4.648) 9.571 22.032 ( -0.000 -0.428 4.535) 4.555 22.221 ( -0.000 -7.143 -2.457) 7.554 22.544 ( -0.000 -1.925 4.500) 4.894 22.802 ( -0.000 -3.801 -5.067) 6.334 24.780 ( 0.000 0.173 3.020) 3.025 24.915 ( -0.000 -2.477 -2.010) 3.190 ======================= Grid point 166 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 0.000 -20.402) 20.402 0.744 ( 0.000 0.000 20.402) 20.402 1.461 ( 0.000 0.000 -31.923) 31.923 1.461 ( 0.000 0.000 31.923) 31.923 1.908 ( 0.000 0.000 -6.172) 6.172 1.908 ( 0.000 0.000 6.172) 6.172 2.690 ( 0.000 0.000 -47.469) 47.469 2.690 ( 0.000 0.000 47.469) 47.469 2.930 ( 0.000 0.000 -7.017) 7.017 2.930 ( 0.000 0.000 7.017) 7.017 3.405 ( 0.000 0.000 -8.660) 8.660 3.405 ( 0.000 0.000 8.660) 8.660 4.269 ( 0.000 0.000 -1.299) 1.299 4.269 ( 0.000 0.000 1.299) 1.299 5.204 ( 0.000 0.000 -8.347) 8.347 5.204 ( 0.000 0.000 8.347) 8.347 5.262 ( 0.000 0.000 -2.731) 2.731 5.262 ( 0.000 0.000 2.731) 2.731 5.373 ( 0.000 0.000 -10.782) 10.782 5.373 ( 0.000 0.000 10.782) 10.782 6.201 ( 0.000 0.000 -11.599) 11.599 6.201 ( 0.000 0.000 11.599) 11.599 6.226 ( 0.000 0.000 -21.695) 21.695 6.226 ( 0.000 0.000 21.695) 21.695 6.588 ( 0.000 0.000 -2.327) 2.327 6.588 ( 0.000 0.000 2.327) 2.327 7.030 ( 0.000 0.000 -8.225) 8.225 7.030 ( 0.000 0.000 8.225) 8.225 7.304 ( 0.000 0.000 -6.405) 6.405 7.304 ( 0.000 0.000 6.405) 6.405 7.930 ( 0.000 0.000 -3.007) 3.007 7.930 ( 0.000 0.000 3.007) 3.007 8.310 ( 0.000 0.000 -15.209) 15.209 8.310 ( 0.000 0.000 15.209) 15.209 8.609 ( 0.000 0.000 -0.332) 0.332 8.609 ( 0.000 0.000 0.332) 0.332 8.674 ( 0.000 0.000 -2.876) 2.876 8.674 ( 0.000 0.000 2.876) 2.876 9.974 ( 0.000 0.000 -8.726) 8.726 9.974 ( 0.000 0.000 8.726) 8.726 10.631 ( 0.000 0.000 -9.413) 9.413 10.631 ( 0.000 0.000 9.413) 9.413 10.908 ( 0.000 0.000 -7.123) 7.123 10.908 ( 0.000 0.000 7.123) 7.123 12.187 ( 0.000 0.000 -13.285) 13.285 12.187 ( 0.000 0.000 13.285) 13.285 12.604 ( 0.000 0.000 -1.213) 1.213 12.604 ( 0.000 0.000 1.213) 1.213 13.101 ( 0.000 0.000 -2.562) 2.562 13.101 ( 0.000 0.000 2.562) 2.562 14.119 ( 0.000 0.000 -0.694) 0.694 14.119 ( 0.000 0.000 0.694) 0.694 14.579 ( 0.000 0.000 -1.437) 1.437 14.579 ( 0.000 0.000 1.437) 1.437 14.663 ( 0.000 0.000 -5.187) 5.187 14.663 ( 0.000 0.000 5.187) 5.187 16.530 ( 0.000 0.000 -5.263) 5.263 16.530 ( 0.000 0.000 5.263) 5.263 16.934 ( 0.000 0.000 -1.837) 1.837 16.934 ( 0.000 0.000 1.837) 1.837 17.878 ( 0.000 0.000 -2.627) 2.627 17.878 ( 0.000 0.000 2.627) 2.627 18.349 ( 0.000 0.000 -2.146) 2.146 18.349 ( 0.000 0.000 2.146) 2.146 18.864 ( 0.000 0.000 -5.734) 5.734 18.864 ( 0.000 0.000 5.734) 5.734 19.599 ( 0.000 0.000 -7.020) 7.020 19.599 ( 0.000 0.000 7.020) 7.020 20.535 ( 0.000 0.000 -2.523) 2.523 20.535 ( 0.000 0.000 2.523) 2.523 20.853 ( 0.000 0.000 -2.408) 2.408 20.853 ( 0.000 0.000 2.408) 2.408 22.658 ( 0.000 0.000 -3.306) 3.306 22.658 ( 0.000 0.000 3.306) 3.306 22.933 ( 0.000 0.000 -0.423) 0.423 22.933 ( 0.000 0.000 0.423) 0.423 25.211 ( 0.000 0.000 -2.554) 2.554 25.211 ( 0.000 0.000 2.554) 2.554 ======================= Grid point 168 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 38.653 -8.295 -8.973) 40.539 1.291 ( 38.653 -8.295 8.973) 40.539 1.585 ( 7.469 -7.225 -26.765) 28.712 1.585 ( 7.469 -7.225 26.765) 28.712 2.094 ( 20.533 -1.174 -4.508) 21.054 2.094 ( 20.533 -1.174 4.508) 21.054 2.781 ( 2.321 -13.254 -41.801) 43.913 2.781 ( 2.321 -13.254 41.801) 43.913 3.048 ( 3.015 -9.870 -8.939) 13.654 3.048 ( 3.015 -9.870 8.939) 13.654 3.462 ( 8.060 -0.428 -7.159) 10.789 3.462 ( 8.060 -0.428 7.159) 10.789 4.254 ( -1.882 1.335 -3.680) 4.343 4.254 ( -1.882 1.335 3.680) 4.343 4.932 ( -23.326 1.514 -3.746) 23.673 4.932 ( -23.326 1.514 3.746) 23.673 5.293 ( 4.020 -2.662 -6.425) 8.033 5.293 ( 4.020 -2.662 6.425) 8.033 5.402 ( 3.028 -1.790 -2.916) 4.569 5.402 ( 3.028 -1.790 2.916) 4.569 6.117 ( -3.795 0.714 -21.561) 21.904 6.117 ( -3.795 0.714 21.561) 21.904 6.258 ( 3.061 -0.963 -12.460) 12.866 6.258 ( 3.061 -0.963 12.460) 12.866 6.840 ( 4.763 3.883 -7.189) 9.458 6.840 ( 4.763 3.883 7.189) 9.458 7.032 ( 14.806 2.302 -4.729) 15.712 7.032 ( 14.806 2.302 4.729) 15.712 7.365 ( 8.034 3.393 -5.440) 10.278 7.365 ( 8.034 3.393 5.440) 10.278 7.960 ( 5.957 4.274 -2.640) 7.793 7.960 ( 5.957 4.274 2.640) 7.793 8.235 ( -7.714 -1.054 -12.090) 14.380 8.235 ( -7.714 -1.054 12.090) 14.380 8.560 ( 4.081 7.640 -8.091) 11.853 8.560 ( 4.081 7.640 8.091) 11.853 8.869 ( 2.994 -16.197 -3.257) 16.790 8.869 ( 2.994 -16.197 3.257) 16.790 9.951 ( -1.631 1.042 -11.533) 11.694 9.951 ( -1.631 1.042 11.533) 11.694 10.650 ( -2.160 -4.961 -6.960) 8.815 10.650 ( -2.160 -4.961 6.960) 8.815 10.911 ( 0.198 -0.413 -5.594) 5.613 10.911 ( 0.198 -0.413 5.594) 5.613 12.211 ( 0.534 -2.602 -12.200) 12.486 12.211 ( 0.534 -2.602 12.200) 12.486 12.488 ( -11.150 -1.083 -0.462) 11.212 12.488 ( -11.150 -1.083 0.462) 11.212 13.238 ( 8.643 -5.679 -5.551) 11.737 13.238 ( 8.643 -5.679 5.551) 11.737 14.138 ( 2.661 1.994 -0.950) 3.459 14.138 ( 2.661 1.994 0.950) 3.459 14.329 ( -3.553 18.659 -5.730) 19.840 14.329 ( -3.553 18.659 5.730) 19.840 14.797 ( -5.486 -15.796 -6.404) 17.906 14.797 ( -5.486 -15.796 6.404) 17.906 16.527 ( -1.205 -0.886 -7.262) 7.414 16.527 ( -1.205 -0.886 7.262) 7.414 16.926 ( -2.352 -2.031 -2.446) 3.955 16.926 ( -2.352 -2.031 2.446) 3.955 17.796 ( -8.524 -1.009 -4.087) 9.507 17.796 ( -8.524 -1.009 4.087) 9.507 18.133 ( -17.392 -1.324 -4.021) 17.900 18.133 ( -17.392 -1.324 4.021) 17.900 19.075 ( 17.024 -0.898 -2.324) 17.205 19.075 ( 17.024 -0.898 2.324) 17.205 19.693 ( 14.763 9.203 -6.424) 18.545 19.693 ( 14.763 9.203 6.424) 18.545 20.597 ( 4.053 -2.848 -10.282) 11.413 20.597 ( 4.053 -2.848 10.282) 11.413 20.856 ( 0.449 -0.035 -3.463) 3.493 20.856 ( 0.449 -0.035 3.463) 3.493 22.616 ( -2.784 4.569 -2.550) 5.927 22.616 ( -2.784 4.569 2.550) 5.927 22.896 ( -4.602 -4.078 -2.987) 6.836 22.896 ( -4.602 -4.078 2.987) 6.836 25.147 ( -4.488 2.523 -5.071) 7.227 25.147 ( -4.488 2.523 5.071) 7.227 ======================= Grid point 170 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 9.171 -6.997 -21.188) 24.125 1.816 ( 9.171 -6.997 21.188) 24.125 1.889 ( 20.367 -2.777 -5.736) 21.341 1.889 ( 20.367 -2.777 5.736) 21.341 2.595 ( 30.190 -5.441 -5.778) 31.216 2.595 ( 30.190 -5.441 5.778) 31.216 3.048 ( 1.052 -8.294 -15.834) 17.905 3.048 ( 1.052 -8.294 15.834) 17.905 3.259 ( 12.942 -18.128 -19.950) 29.902 3.259 ( 12.942 -18.128 19.950) 29.902 3.728 ( 15.320 -7.406 -2.501) 17.199 3.728 ( 15.320 -7.406 2.501) 17.199 4.150 ( -4.908 3.744 -5.793) 8.466 4.150 ( -4.908 3.744 5.793) 8.466 4.622 ( -13.606 -2.944 -2.293) 14.109 4.622 ( -13.606 -2.944 2.293) 14.109 5.373 ( 1.734 -0.553 -7.080) 7.310 5.373 ( 1.734 -0.553 7.080) 7.310 5.528 ( 4.066 -7.515 -7.492) 11.364 5.528 ( 4.066 -7.515 7.492) 11.364 6.084 ( 0.239 0.155 -19.968) 19.970 6.084 ( 0.239 0.155 19.968) 19.970 6.334 ( 3.795 -1.703 -9.683) 10.539 6.334 ( 3.795 -1.703 9.683) 10.539 6.699 ( -7.143 5.150 -7.700) 11.697 6.699 ( -7.143 5.150 7.700) 11.697 7.260 ( 11.817 7.864 -3.693) 14.667 7.260 ( 11.817 7.864 3.693) 14.667 7.477 ( 10.045 2.362 -8.221) 13.193 7.477 ( 10.045 2.362 8.221) 13.193 7.992 ( 4.751 5.830 -1.967) 7.774 7.992 ( 4.751 5.830 1.967) 7.774 8.142 ( -4.111 -1.539 -5.590) 7.107 8.142 ( -4.111 -1.539 5.590) 7.107 8.520 ( 1.604 7.536 -8.544) 11.505 8.520 ( 1.604 7.536 8.544) 11.505 9.079 ( 0.454 -10.718 -3.730) 11.357 9.079 ( 0.454 -10.718 3.730) 11.357 9.911 ( -0.993 0.942 -13.782) 13.850 9.911 ( -0.993 0.942 13.782) 13.850 10.654 ( -4.556 -4.240 -5.156) 8.082 10.654 ( -4.556 -4.240 5.156) 8.082 10.930 ( 0.507 -1.536 -2.554) 3.023 10.930 ( 0.507 -1.536 2.554) 3.023 12.207 ( -7.099 -1.252 -4.840) 8.682 12.207 ( -7.099 -1.252 4.840) 8.682 12.379 ( -2.995 -5.791 -8.000) 10.320 12.379 ( -2.995 -5.791 8.000) 10.320 13.448 ( 5.714 -5.721 -7.475) 11.012 13.448 ( 5.714 -5.721 7.475) 11.012 13.980 ( -4.884 14.131 -6.547) 16.321 13.980 ( -4.884 14.131 6.547) 16.321 14.247 ( 6.194 2.607 -4.965) 8.355 14.247 ( 6.194 2.607 4.965) 8.355 14.868 ( -6.235 -12.794 -9.177) 16.934 14.868 ( -6.235 -12.794 9.177) 16.934 16.507 ( -2.365 -0.792 -10.922) 11.203 16.507 ( -2.365 -0.792 10.922) 11.203 16.908 ( -3.274 -2.773 -6.255) 7.585 16.908 ( -3.274 -2.773 6.255) 7.585 17.679 ( -6.963 -2.544 -6.651) 9.959 17.679 ( -6.963 -2.544 6.651) 9.959 17.916 ( -11.218 -3.087 -6.606) 13.380 17.916 ( -11.218 -3.087 6.606) 13.380 19.347 ( 11.683 -1.207 -3.947) 12.391 19.347 ( 11.683 -1.207 3.947) 12.391 19.819 ( 15.802 10.924 -6.513) 20.284 19.819 ( 15.802 10.924 6.513) 20.284 20.689 ( 3.524 -0.022 -17.251) 17.607 20.689 ( 3.524 -0.022 17.251) 17.607 20.872 ( 1.162 -0.106 -6.794) 6.894 20.872 ( 1.162 -0.106 6.794) 6.894 22.468 ( -7.697 2.242 -10.205) 12.977 22.468 ( -7.697 2.242 10.205) 12.977 22.923 ( 0.897 -4.106 -6.445) 7.694 22.923 ( 0.897 -4.106 6.445) 7.694 25.035 ( -4.511 2.238 -7.038) 8.654 25.035 ( -4.511 2.238 7.038) 8.654 ======================= Grid point 172 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 5.631 -2.923 -5.454) 8.366 2.006 ( 5.631 -2.923 5.454) 8.366 2.166 ( 12.050 -0.550 -4.517) 12.881 2.166 ( 12.050 -0.550 4.517) 12.881 3.035 ( -0.895 2.527 -13.987) 14.241 3.035 ( -0.895 2.527 13.987) 14.241 3.111 ( 15.608 -10.372 -3.015) 18.981 3.111 ( 15.608 -10.372 3.015) 18.981 3.752 ( 6.400 -14.342 -8.768) 17.987 3.752 ( 6.400 -14.342 8.768) 17.987 4.035 ( 12.565 -3.254 -2.522) 13.222 4.035 ( 12.565 -3.254 2.522) 13.222 4.172 ( 6.645 -6.501 -0.462) 9.307 4.172 ( 6.645 -6.501 0.462) 9.307 4.540 ( 2.888 -4.198 -9.078) 10.410 4.540 ( 2.888 -4.198 9.078) 10.410 5.375 ( -0.460 0.432 -10.214) 10.233 5.375 ( -0.460 0.432 10.214) 10.233 5.668 ( 0.258 -6.782 -4.145) 7.952 5.668 ( 0.258 -6.782 4.145) 7.952 6.095 ( 0.093 0.365 -14.127) 14.132 6.095 ( 0.093 0.365 14.127) 14.132 6.419 ( 3.654 -1.105 -5.862) 6.996 6.419 ( 3.654 -1.105 5.862) 6.996 6.534 ( -3.980 4.891 -3.926) 7.428 6.534 ( -3.980 4.891 3.926) 7.428 7.249 ( 1.443 8.459 -0.593) 8.602 7.249 ( 1.443 8.459 0.593) 8.602 7.617 ( 7.203 0.735 -6.597) 9.795 7.617 ( 7.203 0.735 6.597) 9.795 8.000 ( 1.677 0.303 -2.973) 3.427 8.000 ( 1.677 0.303 2.973) 3.427 8.118 ( -0.609 0.397 -0.656) 0.979 8.118 ( -0.609 0.397 0.656) 0.979 8.431 ( -0.738 6.629 -6.410) 9.250 8.431 ( -0.738 6.629 6.410) 9.250 9.152 ( -1.306 -3.426 -7.428) 8.284 9.152 ( -1.306 -3.426 7.428) 8.284 9.904 ( 0.488 -0.345 -8.613) 8.634 9.904 ( 0.488 -0.345 8.613) 8.634 10.606 ( -4.743 -1.458 -5.884) 7.697 10.606 ( -4.743 -1.458 5.884) 7.697 10.957 ( 0.173 -1.565 -1.585) 2.234 10.957 ( 0.173 -1.565 1.585) 2.234 12.070 ( -8.102 -0.635 -2.670) 8.554 12.070 ( -8.102 -0.635 2.670) 8.554 12.473 ( 1.999 -7.331 -10.149) 12.678 12.473 ( 1.999 -7.331 10.149) 12.678 13.480 ( -3.165 5.676 -7.127) 9.645 13.480 ( -3.165 5.676 7.127) 9.645 13.840 ( 1.220 0.871 -8.442) 8.574 13.840 ( 1.220 0.871 8.442) 8.574 14.317 ( 4.698 2.435 -2.519) 5.861 14.317 ( 4.698 2.435 2.519) 5.861 14.933 ( -2.805 -10.015 -14.404) 17.766 14.933 ( -2.805 -10.015 14.404) 17.766 16.473 ( -2.297 -0.390 -12.294) 12.513 16.473 ( -2.297 -0.390 12.294) 12.513 16.881 ( -3.165 -1.498 -11.803) 12.312 16.881 ( -3.165 -1.498 11.803) 12.312 17.628 ( -3.414 -2.986 -6.709) 8.098 17.628 ( -3.414 -2.986 6.709) 8.098 17.818 ( -5.348 -2.969 -5.590) 8.287 17.818 ( -5.348 -2.969 5.590) 8.287 19.472 ( 3.644 0.940 -10.021) 10.704 19.472 ( 3.644 0.940 10.021) 10.704 19.977 ( 14.490 5.776 -6.488) 16.894 19.977 ( 14.490 5.776 6.488) 16.894 20.711 ( 0.940 1.910 -18.632) 18.754 20.711 ( 0.940 1.910 18.632) 18.754 20.889 ( 0.718 0.145 -9.935) 9.962 20.889 ( 0.718 0.145 9.935) 9.962 22.339 ( -5.861 -0.390 -12.506) 13.817 22.339 ( -5.861 -0.390 12.506) 13.817 22.997 ( 2.316 -2.440 -7.230) 7.974 22.997 ( 2.316 -2.440 7.230) 7.974 24.948 ( -3.073 1.358 -7.278) 8.016 24.948 ( -3.073 1.358 7.278) 8.016 ======================= Grid point 174 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 1.400 -0.872 -12.417) 12.526 2.085 ( 1.400 -0.872 12.417) 12.526 2.321 ( 5.002 -0.192 -2.241) 5.485 2.321 ( 5.002 -0.192 2.241) 5.485 2.990 ( -0.022 2.200 -18.501) 18.632 2.990 ( -0.022 2.200 18.501) 18.632 3.347 ( 3.042 -2.766 -3.397) 5.333 3.347 ( 3.042 -2.766 3.397) 5.333 3.941 ( 2.186 -12.533 -5.079) 13.699 3.941 ( 2.186 -12.533 5.079) 13.699 4.124 ( -2.770 5.426 -1.063) 6.184 4.124 ( -2.770 5.426 1.063) 6.184 4.286 ( 3.954 -1.080 -0.333) 4.112 4.286 ( 3.954 -1.080 0.333) 4.112 4.868 ( 13.318 -6.738 -4.973) 15.732 4.868 ( 13.318 -6.738 4.973) 15.732 5.410 ( 6.800 -0.606 -4.209) 8.020 5.410 ( 6.800 -0.606 4.209) 8.020 5.653 ( -9.207 -1.930 -1.172) 9.480 5.653 ( -9.207 -1.930 1.172) 9.480 6.055 ( -1.111 2.676 -5.515) 6.230 6.055 ( -1.111 2.676 5.515) 6.230 6.463 ( 0.197 0.899 -1.769) 1.994 6.463 ( 0.197 0.899 1.769) 1.994 6.474 ( 0.849 -0.214 -4.571) 4.654 6.474 ( 0.849 -0.214 4.571) 4.654 7.165 ( -0.585 3.930 -1.195) 4.149 7.165 ( -0.585 3.930 1.195) 4.149 7.683 ( 1.758 0.360 -2.041) 2.718 7.683 ( 1.758 0.360 2.041) 2.718 8.035 ( 0.300 -1.853 -2.809) 3.378 8.035 ( 0.300 -1.853 2.809) 3.378 8.103 ( -0.166 0.578 -3.609) 3.658 8.103 ( -0.166 0.578 3.609) 3.658 8.361 ( -0.046 2.942 -5.387) 6.138 8.361 ( -0.046 2.942 5.387) 6.138 9.152 ( -0.640 -0.282 -12.437) 12.456 9.152 ( -0.640 -0.282 12.437) 12.456 9.922 ( 0.473 -0.482 -2.091) 2.197 9.922 ( 0.473 -0.482 2.091) 2.197 10.553 ( -2.110 -0.117 -5.442) 5.838 10.553 ( -2.110 -0.117 5.442) 5.838 10.972 ( -0.004 -0.591 -1.008) 1.169 10.972 ( -0.004 -0.591 1.008) 1.169 11.978 ( -3.087 -0.257 -2.115) 3.751 11.978 ( -3.087 -0.257 2.115) 3.751 12.585 ( 1.536 -4.052 -8.150) 9.230 12.585 ( 1.536 -4.052 8.150) 9.230 13.330 ( -2.849 4.963 -3.822) 6.881 13.330 ( -2.849 4.963 3.822) 6.881 13.892 ( 1.334 -1.733 -10.786) 11.005 13.892 ( 1.334 -1.733 10.786) 11.005 14.339 ( 1.205 1.292 -0.311) 1.794 14.339 ( 1.205 1.292 0.311) 1.794 15.004 ( -0.174 -4.064 -18.842) 19.277 15.004 ( -0.174 -4.064 18.842) 19.277 16.448 ( -0.903 -0.111 -11.357) 11.393 16.448 ( -0.903 -0.111 11.357) 11.393 16.848 ( -1.479 -0.207 -15.267) 15.340 16.848 ( -1.479 -0.207 15.267) 15.340 17.624 ( -0.895 -1.420 -6.101) 6.328 17.624 ( -0.895 -1.420 6.101) 6.328 17.790 ( -1.507 -1.170 -4.006) 4.437 17.790 ( -1.507 -1.170 4.006) 4.437 19.490 ( 0.659 0.813 -12.667) 12.710 19.490 ( 0.659 0.813 12.667) 12.710 20.117 ( 6.061 1.500 -7.595) 9.832 20.117 ( 6.061 1.500 7.595) 9.832 20.692 ( -0.296 1.140 -17.510) 17.550 20.692 ( -0.296 1.140 17.510) 17.550 20.894 ( 0.121 0.044 -11.119) 11.120 20.894 ( 0.121 0.044 11.119) 11.120 22.279 ( -2.024 -0.475 -13.157) 13.320 22.279 ( -2.024 -0.475 13.157) 13.320 23.048 ( 1.040 -0.805 -7.130) 7.250 23.048 ( 1.040 -0.805 7.130) 7.250 24.901 ( -1.091 0.453 -7.168) 7.264 24.901 ( -1.091 0.453 7.168) 7.264 ======================= Grid point 186 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 16.278 -0.000 -23.690) 28.744 1.655 ( 16.278 -0.000 23.690) 28.744 1.883 ( 21.982 -0.000 -2.944) 22.179 1.883 ( 21.982 -0.000 2.944) 22.179 2.571 ( 25.023 -0.000 -15.437) 29.402 2.571 ( 25.023 -0.000 15.437) 29.402 2.842 ( 22.976 -0.000 -27.361) 35.728 2.842 ( 22.976 -0.000 27.361) 35.728 3.048 ( 3.322 -0.000 -5.411) 6.350 3.048 ( 3.322 -0.000 5.411) 6.350 3.655 ( 15.760 -0.000 -2.908) 16.026 3.655 ( 15.760 -0.000 2.908) 16.026 4.250 ( -0.911 0.000 -1.023) 1.369 4.250 ( -0.911 0.000 1.023) 1.369 4.551 ( -18.822 0.000 -4.375) 19.323 4.551 ( -18.822 0.000 4.375) 19.323 5.380 ( 6.972 -0.000 -6.191) 9.324 5.380 ( 6.972 -0.000 6.191) 9.324 5.404 ( -0.423 0.000 -6.611) 6.624 5.404 ( -0.423 0.000 6.611) 6.624 6.092 ( 0.079 -0.000 -20.164) 20.165 6.092 ( 0.079 -0.000 20.164) 20.165 6.306 ( 3.096 -0.000 -11.936) 12.331 6.306 ( 3.096 -0.000 11.936) 12.331 6.764 ( -7.718 0.000 -7.100) 10.487 6.764 ( -7.718 0.000 7.100) 10.487 7.375 ( 13.520 -0.000 -9.703) 16.641 7.375 ( 13.520 -0.000 9.703) 16.641 7.498 ( 3.952 -0.000 -10.471) 11.192 7.498 ( 3.952 -0.000 10.471) 11.192 8.049 ( -8.505 0.000 -5.343) 10.044 8.049 ( -8.505 0.000 5.343) 10.044 8.208 ( 11.676 -0.000 -7.106) 13.668 8.208 ( 11.676 -0.000 7.106) 13.668 8.689 ( 2.381 -0.000 -3.053) 3.871 8.689 ( 2.381 -0.000 3.053) 3.871 8.822 ( 6.246 -0.000 -7.151) 9.495 8.822 ( 6.246 -0.000 7.151) 9.495 9.930 ( -1.246 0.000 -17.475) 17.519 9.930 ( -1.246 0.000 17.475) 17.519 10.571 ( -3.347 0.000 -8.345) 8.991 10.571 ( -3.347 0.000 8.345) 8.991 10.910 ( 0.182 -0.000 -2.850) 2.856 10.910 ( 0.182 -0.000 2.850) 2.856 12.178 ( -5.272 0.000 -4.364) 6.844 12.178 ( -5.272 0.000 4.364) 6.844 12.310 ( -4.882 0.000 -7.847) 9.242 12.310 ( -4.882 0.000 7.847) 9.242 13.356 ( 8.292 -0.000 -6.402) 10.476 13.356 ( 8.292 -0.000 6.402) 10.476 14.212 ( 2.150 -0.000 -2.938) 3.641 14.212 ( 2.150 -0.000 2.938) 3.641 14.415 ( -5.665 0.000 -1.064) 5.764 14.415 ( -5.665 0.000 1.064) 5.764 14.535 ( -4.421 0.000 -0.989) 4.531 14.535 ( -4.421 0.000 0.989) 4.531 16.497 ( -1.747 0.000 -11.188) 11.324 16.497 ( -1.747 0.000 11.188) 11.324 16.868 ( -2.704 0.000 -5.139) 5.807 16.868 ( -2.704 0.000 5.139) 5.807 17.646 ( -7.025 0.000 -5.905) 9.177 17.646 ( -7.025 0.000 5.905) 9.177 17.876 ( -10.885 0.000 -7.036) 12.961 17.876 ( -10.885 0.000 7.036) 12.961 19.335 ( 13.189 -0.000 -3.640) 13.682 19.335 ( 13.189 -0.000 3.640) 13.682 19.987 ( 11.209 -0.000 -2.331) 11.449 19.987 ( 11.209 -0.000 2.331) 11.449 20.702 ( 9.068 -0.000 -5.166) 10.436 20.702 ( 9.068 -0.000 5.166) 10.436 20.871 ( 1.531 -0.000 -2.074) 2.578 20.871 ( 1.531 -0.000 2.074) 2.578 22.506 ( -13.068 0.000 -6.923) 14.789 22.506 ( -13.068 0.000 6.923) 14.789 22.839 ( 2.398 -0.000 -5.091) 5.627 22.839 ( 2.398 -0.000 5.091) 5.627 25.066 ( -5.932 0.000 -6.512) 8.808 25.066 ( -5.932 0.000 6.512) 8.808 ======================= Grid point 188 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 15.085 -1.298 -20.050) 25.124 1.956 ( 15.085 -1.298 20.050) 25.124 2.160 ( 12.227 0.014 -5.335) 13.340 2.160 ( 12.227 0.014 5.335) 13.340 2.829 ( 9.133 -8.188 -18.539) 22.229 2.829 ( 9.133 -8.188 18.539) 22.229 3.074 ( 3.246 0.479 -5.322) 6.253 3.074 ( 3.246 0.479 5.322) 6.253 3.497 ( 28.428 -5.592 -7.595) 29.952 3.497 ( 28.428 -5.592 7.595) 29.952 3.993 ( 22.476 -1.774 -3.649) 22.839 3.993 ( 22.476 -1.774 3.649) 22.839 4.167 ( 0.208 7.145 -4.677) 8.542 4.167 ( 0.208 7.145 4.677) 8.542 4.414 ( -2.456 -6.774 -5.027) 8.785 4.414 ( -2.456 -6.774 5.027) 8.785 5.370 ( -1.668 0.228 -9.532) 9.679 5.370 ( -1.668 0.228 9.532) 9.679 5.524 ( 4.108 -4.251 -3.313) 6.777 5.524 ( 4.108 -4.251 3.313) 6.777 6.107 ( 1.830 0.697 -17.503) 17.613 6.107 ( 1.830 0.697 17.503) 17.613 6.366 ( 2.627 -2.124 -9.927) 10.486 6.366 ( 2.627 -2.124 9.927) 10.486 6.633 ( -5.879 2.216 -7.725) 9.957 6.633 ( -5.879 2.216 7.725) 9.957 7.443 ( -2.679 4.654 -5.503) 7.689 7.443 ( -2.679 4.654 5.503) 7.689 7.542 ( 1.726 -2.056 -5.975) 6.550 7.542 ( 1.726 -2.056 5.975) 6.550 7.946 ( -3.785 -2.430 -4.801) 6.579 7.946 ( -3.785 -2.430 4.801) 6.579 8.296 ( 3.157 6.207 -4.539) 8.313 8.296 ( 3.157 6.207 4.539) 8.313 8.649 ( 3.534 10.382 -5.141) 12.112 8.649 ( 3.534 10.382 5.141) 12.112 9.010 ( 5.221 -7.810 -7.543) 12.048 9.010 ( 5.221 -7.810 7.543) 12.048 9.918 ( 0.793 0.962 -16.219) 16.267 9.918 ( 0.793 0.962 16.219) 16.267 10.530 ( -4.342 -3.337 -8.455) 10.074 10.530 ( -4.342 -3.337 8.455) 10.074 10.920 ( 0.268 -0.922 -1.065) 1.435 10.920 ( 0.268 -0.922 1.065) 1.435 12.045 ( -8.199 -1.040 -0.823) 8.306 12.045 ( -8.199 -1.040 0.823) 8.306 12.336 ( 3.126 -2.839 -11.356) 12.116 12.336 ( 3.126 -2.839 11.356) 12.116 13.486 ( 4.377 -2.221 -8.176) 9.536 13.486 ( 4.377 -2.221 8.176) 9.536 14.056 ( -6.353 12.044 -10.305) 17.076 14.056 ( -6.353 12.044 10.305) 17.076 14.372 ( 3.395 2.840 -3.983) 5.955 14.372 ( 3.395 2.840 3.983) 5.955 14.614 ( -1.310 -13.981 -7.689) 16.009 14.614 ( -1.310 -13.981 7.689) 16.009 16.470 ( -1.176 -0.049 -13.444) 13.496 16.470 ( -1.176 -0.049 13.444) 13.496 16.838 ( -1.917 -1.272 -9.884) 10.148 16.838 ( -1.917 -1.272 9.884) 10.148 17.577 ( -2.049 -1.024 -5.416) 5.880 17.577 ( -2.049 -1.024 5.416) 5.880 17.763 ( -3.755 -1.190 -5.724) 6.948 17.763 ( -3.755 -1.190 5.724) 6.948 19.492 ( 5.453 0.563 -8.037) 9.728 19.492 ( 5.453 0.563 8.037) 9.728 20.115 ( 8.005 3.270 -0.574) 8.666 20.115 ( 8.005 3.270 0.574) 8.666 20.815 ( 6.356 4.309 -9.094) 11.903 20.815 ( 6.356 4.309 9.095) 11.903 20.913 ( 3.529 1.375 -4.499) 5.881 20.913 ( 3.529 1.375 4.499) 5.881 22.294 ( -11.391 -2.145 -9.279) 14.848 22.294 ( -11.391 -2.145 9.279) 14.848 22.912 ( 2.774 -2.910 -6.309) 7.481 22.912 ( 2.774 -2.910 6.309) 7.481 24.970 ( -4.695 0.434 -7.041) 8.474 24.970 ( -4.695 0.434 7.041) 8.474 ======================= Grid point 190 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 7.006 4.410 -6.089) 10.277 2.119 ( 7.006 4.410 6.089) 10.277 2.320 ( 5.765 -0.109 -3.929) 6.978 2.320 ( 5.765 -0.109 3.929) 6.978 3.078 ( 1.793 -4.246 -4.722) 6.598 3.078 ( 1.793 -4.246 4.722) 6.598 3.163 ( 9.478 -5.956 -24.614) 27.040 3.163 ( 9.478 -5.956 24.614) 27.040 3.733 ( 2.844 -1.448 -7.096) 7.781 3.733 ( 2.844 -1.448 7.096) 7.781 4.197 ( 5.532 2.459 -1.375) 6.208 4.197 ( 5.532 2.459 1.375) 6.208 4.312 ( 11.234 1.813 -2.653) 11.685 4.312 ( 11.234 1.813 2.653) 11.685 4.689 ( 22.050 -6.771 -5.337) 23.675 4.689 ( 22.050 -6.771 5.337) 23.675 5.367 ( 1.498 -2.004 -8.602) 8.958 5.367 ( 1.498 -2.004 8.602) 8.958 5.574 ( -4.874 -3.032 -2.974) 6.465 5.574 ( -4.874 -3.032 2.974) 6.465 6.130 ( 2.268 1.417 -13.568) 13.829 6.130 ( 2.268 1.417 13.568) 13.829 6.435 ( 0.800 -2.576 -4.302) 5.078 6.435 ( 0.800 -2.576 4.302) 5.078 6.517 ( -3.180 2.813 -5.516) 6.961 6.517 ( -3.180 2.813 5.516) 6.961 7.297 ( -7.507 2.060 -3.661) 8.602 7.297 ( -7.507 2.060 3.661) 8.602 7.532 ( -6.156 -2.053 -2.124) 6.828 7.532 ( -6.156 -2.053 2.124) 6.828 7.973 ( 1.945 -3.079 -7.298) 8.156 7.973 ( 1.945 -3.079 7.298) 8.156 8.227 ( -2.258 2.883 -4.384) 5.712 8.227 ( -2.258 2.883 4.384) 5.712 8.578 ( 5.641 13.715 -4.710) 15.560 8.578 ( 5.641 13.715 4.710) 15.560 9.136 ( 2.687 -1.801 -9.839) 10.357 9.136 ( 2.687 -1.801 9.839) 10.357 9.935 ( 2.667 1.400 -6.087) 6.792 9.935 ( 2.667 1.400 6.087) 6.792 10.503 ( -3.700 -3.631 -8.307) 9.792 10.503 ( -3.700 -3.631 8.307) 9.792 10.940 ( 0.221 -1.506 -0.935) 1.786 10.940 ( 0.221 -1.506 0.935) 1.786 11.962 ( -2.817 -0.949 -1.394) 3.283 11.962 ( -2.817 -0.949 1.394) 3.283 12.453 ( 4.539 -4.838 -10.263) 12.220 12.453 ( 4.539 -4.838 10.263) 12.220 13.504 ( -1.744 4.727 -8.722) 10.073 13.504 ( -1.744 4.727 8.722) 10.073 13.876 ( -0.833 4.101 -6.422) 7.666 13.876 ( -0.833 4.101 6.422) 7.666 14.363 ( -2.147 0.018 -2.423) 3.238 14.363 ( -2.147 0.018 2.423) 3.238 14.804 ( 4.376 -10.441 -15.832) 19.463 14.804 ( 4.376 -10.441 15.832) 19.463 16.465 ( 1.280 0.936 -13.096) 13.192 16.465 ( 1.280 0.936 13.096) 13.192 16.827 ( -1.286 -1.180 -14.248) 14.354 16.827 ( -1.286 -1.180 14.248) 14.354 17.591 ( 1.960 -0.934 -4.319) 4.834 17.591 ( 1.960 -0.934 4.319) 4.834 17.759 ( 0.968 -1.053 -2.193) 2.618 17.759 ( 0.968 -1.053 2.193) 2.618 19.518 ( -0.198 1.238 -10.971) 11.042 19.518 ( -0.198 1.238 10.971) 11.042 20.186 ( 3.863 2.447 -4.539) 6.443 20.186 ( 3.863 2.447 4.539) 6.443 20.825 ( 4.201 8.407 -13.135) 16.151 20.825 ( 4.201 8.407 13.135) 16.151 20.926 ( 1.683 2.542 -6.114) 6.832 20.926 ( 1.683 2.542 6.114) 6.832 22.198 ( -5.718 -5.375 -11.241) 13.710 22.198 ( -5.718 -5.375 11.241) 13.710 22.983 ( 0.515 -3.567 -6.657) 7.569 22.983 ( 0.515 -3.567 6.657) 7.569 24.904 ( -2.756 -0.102 -6.855) 7.389 24.904 ( -2.756 -0.102 6.855) 7.389 ======================= Grid point 192 (59/75) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 2.139 4.007 -8.960) 10.045 2.135 ( 2.139 4.007 8.960) 10.045 2.331 ( -3.980 0.629 -1.018) 4.156 2.331 ( -3.980 0.629 1.018) 4.156 3.072 ( 2.028 6.677 -16.515) 17.929 3.072 ( 2.028 6.677 16.515) 17.929 3.341 ( 1.540 -3.487 -5.786) 6.929 3.341 ( 1.540 -3.487 5.786) 6.929 3.899 ( 9.009 -9.081 -7.100) 14.630 3.899 ( 9.009 -9.081 7.100) 14.630 4.221 ( 4.384 7.150 -5.709) 10.146 4.221 ( 4.384 7.150 5.709) 10.146 4.374 ( 2.139 6.168 -1.105) 6.621 4.374 ( 2.139 6.168 1.105) 6.621 4.969 ( 2.051 1.322 -4.847) 5.426 4.969 ( 2.051 1.322 4.847) 5.426 5.389 ( -11.907 -2.257 -3.041) 12.495 5.389 ( -11.907 -2.257 3.041) 12.495 5.581 ( 11.027 -5.559 -4.895) 13.284 5.581 ( 11.027 -5.559 4.895) 13.284 6.130 ( 2.715 5.877 -8.385) 10.593 6.130 ( 2.715 5.877 8.385) 10.593 6.414 ( -3.547 -1.845 -4.901) 6.325 6.414 ( -3.547 -1.845 4.901) 6.325 6.503 ( 1.115 0.760 -4.221) 4.431 6.503 ( 1.115 0.760 4.221) 4.431 7.159 ( -5.472 2.103 -2.603) 6.414 7.159 ( -5.472 2.103 2.603) 6.414 7.443 ( -11.015 -9.634 -0.878) 14.660 7.443 ( -11.015 -9.634 0.878) 14.660 8.041 ( 0.880 -1.994 -7.630) 7.935 8.041 ( 0.880 -1.994 7.630) 7.935 8.188 ( -0.571 -0.478 -4.661) 4.720 8.188 ( -0.571 -0.478 4.661) 4.720 8.492 ( 5.236 14.375 -4.630) 15.984 8.492 ( 5.236 14.375 4.630) 15.984 9.172 ( 2.144 1.165 -11.448) 11.705 9.172 ( 2.144 1.165 11.448) 11.705 9.956 ( 1.949 2.196 -2.206) 3.672 9.956 ( 1.949 2.196 2.206) 3.672 10.513 ( 0.317 -3.215 -6.658) 7.401 10.513 ( 0.317 -3.215 6.658) 7.401 10.962 ( 0.228 -1.232 -0.866) 1.523 10.962 ( 0.228 -1.232 0.866) 1.523 11.977 ( 3.501 -0.325 -1.784) 3.943 11.977 ( 3.501 -0.325 1.784) 3.943 12.586 ( 4.007 -3.401 -8.474) 9.971 12.586 ( 4.007 -3.401 8.474) 9.971 13.373 ( -1.385 7.411 -6.045) 9.664 13.373 ( -1.385 7.411 6.045) 9.664 13.878 ( -0.097 -2.008 -9.492) 9.703 13.878 ( -0.097 -2.008 9.492) 9.703 14.313 ( -4.378 -1.223 -3.280) 5.606 14.313 ( -4.378 -1.223 3.280) 5.606 14.983 ( 4.574 -5.054 -18.952) 20.141 14.983 ( 4.574 -5.054 18.952) 20.141 16.486 ( 3.654 2.688 -11.841) 12.680 16.486 ( 3.654 2.688 11.841) 12.680 16.834 ( 0.773 -1.224 -16.330) 16.394 16.834 ( 0.773 -1.224 16.330) 16.394 17.651 ( 4.443 0.739 -6.592) 7.984 17.651 ( 4.443 0.739 6.592) 7.984 17.808 ( 4.086 0.274 -2.855) 4.992 17.808 ( 4.086 0.274 2.855) 4.992 19.482 ( -2.546 0.141 -12.471) 12.729 19.482 ( -2.546 0.141 12.471) 12.729 20.151 ( -4.617 3.250 -7.269) 9.205 20.151 ( -4.617 3.250 7.269) 9.205 20.765 ( 1.465 7.056 -14.897) 16.549 20.765 ( 1.465 7.056 14.897) 16.549 20.929 ( 2.166 2.579 -10.708) 11.225 20.929 ( 2.166 2.579 10.708) 11.225 22.215 ( -0.822 -5.394 -12.220) 13.382 22.215 ( -0.822 -5.394 12.220) 13.382 23.013 ( -2.045 -3.240 -6.869) 7.865 23.013 ( -2.045 -3.240 6.869) 7.865 24.881 ( -0.660 -0.968 -6.726) 6.827 24.881 ( -0.660 -0.968 6.726) 6.827 ======================= Grid point 194 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -4.664 2.647 -11.997) 13.141 2.085 ( -4.664 2.647 11.997) 13.141 2.201 ( -7.248 2.576 -2.489) 8.084 2.201 ( -7.248 2.576 2.489) 8.084 3.028 ( 2.400 4.447 -20.326) 20.945 3.028 ( 2.400 4.447 20.326) 20.945 3.300 ( -8.184 4.489 -4.845) 10.517 3.300 ( -8.184 4.489 4.845) 10.517 4.058 ( -3.158 5.795 -4.947) 8.248 4.058 ( -3.158 5.795 4.947) 8.248 4.178 ( 4.623 6.151 -6.789) 10.262 4.178 ( 4.623 6.151 6.789) 10.262 4.326 ( 5.647 6.197 -3.591) 9.121 4.326 ( 5.647 6.197 3.591) 9.121 4.720 ( -15.089 10.433 -9.684) 20.744 4.720 ( -15.089 10.433 9.684) 20.744 5.309 ( -2.266 -4.589 -7.780) 9.313 5.309 ( -2.266 -4.589 7.780) 9.313 5.805 ( 6.416 0.925 -3.285) 7.267 5.805 ( 6.416 0.925 3.285) 7.267 6.105 ( 3.041 3.524 -8.415) 9.616 6.105 ( 3.041 3.524 8.415) 9.616 6.379 ( -4.497 -2.604 -4.862) 7.117 6.379 ( -4.497 -2.604 4.862) 7.117 6.496 ( 0.963 1.764 -5.016) 5.404 6.496 ( 0.963 1.764 5.016) 5.404 7.089 ( -3.900 -3.862 -2.409) 5.994 7.089 ( -3.900 -3.862 2.409) 5.994 7.396 ( -12.054 -12.315 -0.796) 17.251 7.396 ( -12.054 -12.315 0.796) 17.251 8.032 ( -3.606 -0.705 -8.465) 9.228 8.032 ( -3.606 -0.705 8.465) 9.228 8.187 ( -0.577 0.622 -3.602) 3.700 8.187 ( -0.577 0.622 3.602) 3.700 8.422 ( 5.027 9.711 -4.267) 11.738 8.422 ( 5.027 9.711 4.267) 11.738 9.209 ( 4.720 1.725 -8.596) 9.957 9.209 ( 4.720 1.725 8.596) 9.957 9.938 ( -0.608 2.139 -5.011) 5.482 9.938 ( -0.608 2.139 5.011) 5.482 10.595 ( 5.075 -1.986 -4.875) 7.312 10.595 ( 5.075 -1.986 4.875) 7.312 10.975 ( 0.142 -0.263 -1.227) 1.263 10.975 ( 0.142 -0.263 1.227) 1.263 12.081 ( 8.395 0.321 -2.518) 8.771 12.081 ( 8.395 0.321 2.518) 8.771 12.630 ( 0.886 3.604 -7.688) 8.537 12.630 ( 0.886 3.604 7.688) 8.537 13.348 ( 3.661 -1.084 -1.646) 4.157 13.348 ( 3.661 -1.084 1.646) 4.157 13.873 ( -2.332 0.167 -11.916) 12.144 13.873 ( -2.332 0.167 11.916) 12.144 14.250 ( -5.939 -2.663 -2.696) 7.045 14.250 ( -5.939 -2.663 2.696) 7.045 15.076 ( 3.809 1.226 -18.328) 18.760 15.076 ( 3.809 1.226 18.328) 18.760 16.516 ( 4.305 3.421 -11.228) 12.502 16.516 ( 4.305 3.421 11.228) 12.502 16.890 ( 4.139 -0.825 -14.584) 15.182 16.890 ( 4.139 -0.825 14.584) 15.182 17.710 ( 5.262 3.106 -9.102) 10.962 17.710 ( 5.262 3.106 9.102) 10.962 17.890 ( 7.626 2.336 -5.183) 9.512 17.890 ( 7.626 2.336 5.183) 9.512 19.437 ( -4.055 -1.885 -13.429) 14.154 19.437 ( -4.055 -1.885 13.429) 14.154 19.945 ( -13.707 3.954 -7.704) 16.213 19.945 ( -13.707 3.954 7.704) 16.213 20.724 ( 0.833 2.684 -15.673) 15.923 20.724 ( 0.833 2.684 15.673) 15.923 20.925 ( 1.572 3.188 -12.955) 13.434 20.925 ( 1.572 3.188 12.955) 13.434 22.291 ( 2.274 -4.348 -12.270) 13.215 22.291 ( 2.274 -4.348 12.270) 13.215 22.998 ( -3.508 -2.301 -7.248) 8.375 22.998 ( -3.508 -2.301 7.248) 8.375 24.905 ( 1.174 -1.960 -6.875) 7.244 24.905 ( 1.174 -1.960 6.875) 7.244 ======================= Grid point 196 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -15.902 1.059 -5.026) 16.711 1.879 ( -15.902 1.059 5.026) 16.711 2.057 ( -3.189 7.942 -4.725) 9.776 2.057 ( -3.189 7.942 4.725) 9.776 2.863 ( -27.908 13.839 -5.814) 31.689 2.863 ( -27.908 13.839 5.814) 31.689 3.072 ( 4.793 -1.597 -12.469) 13.454 3.072 ( 4.793 -1.597 12.469) 13.454 3.838 ( -7.400 17.974 -10.323) 22.009 3.838 ( -7.400 17.974 10.323) 22.009 4.044 ( -0.493 16.502 -4.465) 17.102 4.044 ( -0.493 16.502 4.465) 17.102 4.209 ( -3.596 11.340 -9.774) 15.397 4.209 ( -3.596 11.340 9.774) 15.397 4.645 ( 11.871 -1.003 -2.532) 12.179 4.645 ( 11.871 -1.003 2.532) 12.179 5.346 ( -1.179 -3.538 -11.513) 12.102 5.346 ( -1.179 -3.538 11.513) 12.102 5.753 ( -1.544 9.442 -7.431) 12.114 5.753 ( -1.544 9.442 7.431) 12.114 6.095 ( -2.941 1.067 -17.496) 17.774 6.095 ( -2.941 1.067 17.496) 17.774 6.355 ( -2.070 -1.086 -8.100) 8.431 6.355 ( -2.070 -1.086 8.100) 8.431 6.546 ( 4.877 -4.424 -6.812) 9.474 6.546 ( 4.877 -4.424 6.812) 9.474 7.073 ( -7.973 -6.200 -2.364) 10.373 7.073 ( -7.973 -6.200 2.364) 10.373 7.321 ( -12.348 -9.383 -0.828) 15.530 7.321 ( -12.348 -9.383 0.828) 15.530 7.963 ( -3.195 1.364 -6.738) 7.581 7.963 ( -3.195 1.364 6.738) 7.581 8.165 ( -1.291 -1.601 -2.880) 3.539 8.165 ( -1.291 -1.601 2.880) 3.539 8.414 ( 2.263 2.734 -9.105) 9.772 8.414 ( 2.263 2.734 9.105) 9.772 9.270 ( 5.962 4.786 -2.652) 8.092 9.270 ( 5.962 4.786 2.652) 8.092 9.902 ( -1.214 0.268 -8.542) 8.632 9.902 ( -1.214 0.268 8.542) 8.632 10.709 ( 6.388 0.286 -3.898) 7.489 10.709 ( 6.388 0.286 3.898) 7.489 10.969 ( -0.447 1.022 -2.018) 2.306 10.969 ( -0.447 1.022 2.018) 2.306 12.232 ( 9.574 1.041 -4.286) 10.541 12.232 ( 9.574 1.041 4.286) 10.541 12.558 ( 0.410 7.340 -8.806) 11.471 12.558 ( 0.410 7.340 8.806) 11.471 13.474 ( 3.704 -4.569 -5.692) 8.185 13.474 ( 3.704 -4.569 5.692) 8.185 13.810 ( -2.457 0.835 -12.877) 13.136 13.810 ( -2.457 0.835 12.877) 13.136 14.176 ( -6.962 -3.255 -2.824) 8.188 14.176 ( -6.962 -3.255 2.824) 8.188 15.100 ( 4.479 5.490 -15.311) 16.870 15.100 ( 4.479 5.490 15.311) 16.870 16.547 ( 3.805 2.782 -10.107) 11.152 16.547 ( 3.805 2.782 10.107) 11.152 16.971 ( 5.299 1.660 -9.648) 11.132 16.971 ( 5.299 1.660 9.648) 11.132 17.762 ( 6.438 3.760 -8.347) 11.192 17.762 ( 6.438 3.760 8.347) 11.192 18.012 ( 11.645 3.996 -5.749) 13.587 18.012 ( 11.645 3.996 5.749) 13.587 19.374 ( -7.423 -1.381 -12.664) 14.744 19.374 ( -7.423 -1.381 12.664) 14.744 19.629 ( -18.566 0.105 -8.933) 20.604 19.629 ( -18.566 0.105 8.933) 20.604 20.711 ( 0.099 1.305 -17.164) 17.214 20.711 ( 0.099 1.305 17.164) 17.214 20.901 ( 0.226 2.917 -13.369) 13.686 20.901 ( 0.226 2.917 13.369) 13.686 22.394 ( 3.414 -4.106 -11.451) 12.635 22.394 ( 3.414 -4.106 11.451) 12.635 22.964 ( -2.541 -1.101 -7.452) 7.950 22.964 ( -2.541 -1.101 7.452) 7.950 24.967 ( 2.330 -3.043 -7.153) 8.115 24.967 ( 2.330 -3.043 7.153) 8.115 ======================= Grid point 198 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -24.325 6.666 -9.673) 27.013 1.507 ( -24.325 6.666 9.673) 27.013 1.870 ( -3.260 12.802 -17.921) 22.265 1.870 ( -3.260 12.802 17.921) 22.265 2.226 ( -20.763 11.535 -6.294) 24.572 2.226 ( -20.763 11.535 6.294) 24.572 3.203 ( 7.070 -1.626 -7.759) 10.622 3.203 ( 7.070 -1.626 7.759) 10.622 3.405 ( -4.085 30.037 -20.991) 36.872 3.405 ( -4.085 30.037 20.991) 36.872 3.673 ( -10.944 20.975 -6.598) 24.561 3.673 ( -10.944 20.975 6.598) 24.561 4.214 ( 4.848 -0.987 -7.233) 8.763 4.214 ( 4.848 -0.987 7.233) 8.763 4.903 ( 16.662 -0.526 -1.079) 16.706 4.903 ( 16.662 -0.526 1.079) 16.706 5.311 ( -6.016 -0.653 -6.671) 9.007 5.311 ( -6.016 -0.653 6.671) 9.007 5.587 ( -2.230 11.262 -7.558) 13.745 5.587 ( -2.230 11.262 7.558) 13.745 6.063 ( -0.896 -4.430 -24.495) 24.908 6.063 ( -0.896 -4.430 24.495) 24.908 6.302 ( -2.210 2.689 -9.848) 10.445 6.302 ( -2.210 2.689 9.848) 10.445 6.695 ( -2.591 -6.467 -10.633) 12.712 6.695 ( -2.591 -6.467 10.633) 12.712 6.963 ( -5.432 -2.568 -1.874) 6.294 6.963 ( -5.432 -2.568 1.874) 6.294 7.234 ( -9.838 -6.561 -0.297) 11.829 7.234 ( -9.838 -6.561 0.297) 11.829 7.907 ( -1.661 0.848 -5.249) 5.570 7.907 ( -1.661 0.848 5.249) 5.570 8.220 ( 2.607 -5.633 -7.348) 9.618 8.220 ( 2.607 -5.633 7.348) 9.618 8.405 ( -2.244 -0.851 -12.821) 13.044 8.405 ( -2.244 -0.851 12.821) 13.044 9.244 ( 2.380 11.686 -0.374) 11.932 9.244 ( 2.380 11.686 0.374) 11.932 9.908 ( 0.336 -2.255 -10.835) 11.072 9.908 ( 0.336 -2.255 10.835) 11.072 10.783 ( 4.533 3.660 -1.860) 6.116 10.783 ( 4.533 3.660 1.860) 6.116 10.935 ( -1.235 1.508 -4.162) 4.596 10.935 ( -1.235 1.508 4.162) 4.596 12.311 ( 2.312 4.697 -10.483) 11.718 12.311 ( 2.312 4.697 10.483) 11.718 12.539 ( 6.304 2.901 -3.649) 7.840 12.539 ( 6.304 2.901 3.649) 7.840 13.446 ( -4.206 7.874 -6.821) 11.235 13.446 ( -4.206 7.874 6.821) 11.235 13.885 ( 3.111 -11.627 -8.640) 14.816 13.885 ( 3.111 -11.627 8.640) 14.816 14.111 ( -5.075 -3.231 -2.079) 6.365 14.111 ( -5.075 -3.231 2.079) 6.365 15.093 ( 4.122 7.831 -12.641) 15.431 15.093 ( 4.122 7.831 12.641) 15.431 16.567 ( 2.134 2.342 -7.710) 8.336 16.567 ( 2.134 2.342 7.710) 8.336 17.011 ( 3.432 4.122 -4.976) 7.316 17.011 ( 3.432 4.122 4.976) 7.316 17.842 ( 7.192 2.469 -4.780) 8.982 17.842 ( 7.192 2.469 4.780) 8.982 18.191 ( 14.655 3.011 -4.004) 15.488 18.191 ( 14.655 3.011 4.004) 15.488 19.136 ( -16.916 3.842 -6.432) 18.500 19.136 ( -16.916 3.842 6.432) 18.500 19.428 ( -11.205 -8.022 -17.019) 21.899 19.428 ( -11.205 -8.022 17.019) 21.899 20.681 ( -0.757 2.950 -19.652) 19.887 20.681 ( -0.757 2.950 19.652) 19.887 20.869 ( -0.358 1.616 -10.156) 10.290 20.869 ( -0.358 1.616 10.156) 10.290 22.497 ( 1.939 -4.685 -8.585) 9.970 22.497 ( 1.939 -4.685 8.585) 9.970 22.956 ( 0.670 -0.268 -6.949) 6.986 22.956 ( 0.670 -0.268 6.949) 6.986 25.054 ( 2.332 -4.241 -6.998) 8.508 25.054 ( 2.332 -4.241 6.998) 8.508 ======================= Grid point 200 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 17.568 -17.051) 24.482 1.038 ( 0.000 17.568 17.051) 24.482 1.674 ( 0.000 12.943 -27.031) 29.970 1.674 ( 0.000 12.943 27.031) 29.970 1.960 ( 0.000 4.985 -7.023) 8.612 1.960 ( 0.000 4.985 7.023) 8.612 3.014 ( 0.000 25.514 -35.862) 44.012 3.014 ( 0.000 25.514 35.862) 44.012 3.236 ( 0.000 22.181 -8.457) 23.738 3.236 ( 0.000 22.181 8.457) 23.738 3.359 ( -0.000 -4.602 -9.038) 10.142 3.359 ( -0.000 -4.602 9.038) 10.142 4.271 ( -0.000 -0.398 -6.923) 6.935 4.271 ( -0.000 -0.398 6.923) 6.935 5.170 ( -0.000 -1.167 -3.392) 3.587 5.170 ( -0.000 -1.167 3.392) 3.587 5.220 ( -0.000 -6.921 -4.704) 8.368 5.220 ( -0.000 -6.921 4.704) 8.368 5.419 ( 0.000 10.453 -5.684) 11.899 5.419 ( 0.000 10.453 5.684) 11.899 6.158 ( -0.000 -5.714 -29.097) 29.653 6.158 ( -0.000 -5.714 29.097) 29.653 6.236 ( 0.000 2.869 -11.026) 11.393 6.236 ( 0.000 2.869 11.026) 11.393 6.594 ( 0.000 0.448 -4.632) 4.654 6.594 ( 0.000 0.448 4.632) 4.654 7.023 ( -0.000 -0.617 -7.433) 7.459 7.023 ( -0.000 -0.617 7.433) 7.459 7.199 ( -0.000 -7.261 -3.543) 8.080 7.199 ( -0.000 -7.261 3.543) 8.080 7.889 ( -0.000 -0.856 -3.626) 3.726 7.889 ( -0.000 -0.856 3.626) 3.726 8.339 ( 0.000 2.482 -15.565) 15.761 8.339 ( 0.000 2.482 15.565) 15.761 8.389 ( -0.000 -10.687 -9.283) 14.156 8.389 ( -0.000 -10.687 9.283) 14.156 9.071 ( 0.000 17.509 -2.855) 17.741 9.071 ( 0.000 17.509 2.855) 17.741 9.946 ( -0.000 -2.252 -9.593) 9.854 9.946 ( -0.000 -2.252 9.593) 9.854 10.751 ( 0.000 6.985 -3.993) 8.046 10.751 ( 0.000 6.985 3.993) 8.046 10.913 ( 0.000 0.404 -7.184) 7.195 10.913 ( 0.000 0.404 7.184) 7.195 12.254 ( 0.000 4.956 -12.934) 13.851 12.254 ( 0.000 4.956 12.934) 13.851 12.605 ( 0.000 0.056 -1.533) 1.534 12.605 ( 0.000 0.056 1.533) 1.534 13.262 ( 0.000 11.039 -8.091) 13.687 13.262 ( 0.000 11.039 8.091) 13.687 14.093 ( -0.000 -2.064 -0.468) 2.116 14.093 ( -0.000 -2.064 0.468) 2.116 14.118 ( -0.000 -18.199 -8.438) 20.060 14.118 ( -0.000 -18.199 8.438) 20.060 15.017 ( 0.000 11.197 -10.469) 15.329 15.017 ( 0.000 11.197 10.469) 15.329 16.557 ( 0.000 1.959 -5.662) 5.992 16.557 ( 0.000 1.959 5.662) 5.992 16.987 ( 0.000 3.980 -2.787) 4.859 16.987 ( 0.000 3.980 2.787) 4.859 17.895 ( 0.000 1.297 -2.624) 2.927 17.895 ( 0.000 1.297 2.624) 2.927 18.354 ( 0.000 0.383 -2.134) 2.168 18.354 ( 0.000 0.383 2.134) 2.168 18.890 ( 0.000 2.677 -6.747) 7.259 18.890 ( 0.000 2.677 6.747) 7.259 19.424 ( -0.000 -9.303 -17.929) 20.199 19.424 ( -0.000 -9.303 17.929) 20.199 20.620 ( 0.000 4.753 -18.019) 18.635 20.620 ( 0.000 4.753 18.019) 18.635 20.854 ( 0.000 0.340 -6.088) 6.097 20.854 ( 0.000 0.340 6.088) 6.097 22.572 ( -0.000 -4.820 -4.165) 6.371 22.572 ( -0.000 -4.820 4.165) 6.371 22.971 ( 0.000 0.735 -6.429) 6.471 22.971 ( 0.000 0.735 6.429) 6.471 25.136 ( -0.000 -4.793 -5.672) 7.426 25.136 ( -0.000 -4.793 5.672) 7.426 ======================= Grid point 206 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 15.695 -0.000 -16.980) 23.123 2.245 ( 15.695 -0.000 16.980) 23.123 2.300 ( 5.033 -0.000 -6.765) 8.432 2.300 ( 5.033 -0.000 6.765) 8.432 2.845 ( 1.370 -0.000 -2.914) 3.220 2.845 ( 1.370 -0.000 2.914) 3.220 3.180 ( 9.019 -0.000 -23.167) 24.861 3.180 ( 9.019 -0.000 23.167) 24.861 3.748 ( 4.909 -0.000 -1.259) 5.068 3.748 ( 4.909 -0.000 1.259) 5.068 4.252 ( 5.847 -0.000 -2.552) 6.380 4.252 ( 5.847 -0.000 2.552) 6.380 4.354 ( 10.919 -0.000 -5.950) 12.435 4.354 ( 10.919 -0.000 5.950) 12.435 4.567 ( 29.036 -0.000 -0.444) 29.039 4.567 ( 29.036 -0.000 0.444) 29.039 5.345 ( -0.711 0.000 -9.730) 9.756 5.345 ( -0.711 0.000 9.730) 9.756 5.527 ( -2.154 0.000 -3.451) 4.068 5.527 ( -2.154 0.000 3.451) 4.068 6.143 ( 1.299 -0.000 -15.340) 15.395 6.143 ( 1.299 -0.000 15.340) 15.395 6.385 ( 1.930 -0.000 -11.014) 11.182 6.385 ( 1.930 -0.000 11.014) 11.182 6.565 ( -3.692 0.000 -9.544) 10.233 6.565 ( -3.692 0.000 9.544) 10.233 7.258 ( -15.007 0.000 -6.363) 16.301 7.258 ( -15.007 0.000 6.363) 16.301 7.591 ( 0.521 -0.000 -1.895) 1.965 7.591 ( 0.521 -0.000 1.895) 1.965 7.926 ( 2.578 -0.000 -7.465) 7.897 7.926 ( 2.578 -0.000 7.465) 7.897 8.247 ( -9.060 0.000 -4.881) 10.291 8.247 ( -9.060 0.000 4.881) 10.291 8.830 ( 5.410 -0.000 -0.733) 5.459 8.830 ( 5.410 -0.000 0.733) 5.459 9.070 ( 7.335 -0.000 -9.347) 11.882 9.070 ( 7.335 -0.000 9.347) 11.882 9.964 ( 3.749 -0.000 -10.749) 11.384 9.964 ( 3.749 -0.000 10.749) 11.384 10.433 ( -4.227 0.000 -11.356) 12.117 10.433 ( -4.227 0.000 11.356) 12.117 10.918 ( 0.259 -0.000 -0.367) 0.449 10.918 ( 0.259 -0.000 0.367) 0.449 11.945 ( -2.435 0.000 -0.294) 2.453 11.945 ( -2.435 0.000 0.294) 2.453 12.389 ( 5.041 -0.000 -10.763) 11.885 12.389 ( 5.041 -0.000 10.763) 11.885 13.531 ( 2.167 -0.000 -9.284) 9.534 13.531 ( 2.167 -0.000 9.284) 9.534 14.028 ( -6.290 0.000 -11.951) 13.505 14.028 ( -6.290 0.000 11.951) 13.505 14.335 ( -6.315 0.000 -1.326) 6.452 14.335 ( -6.315 0.000 1.326) 6.452 14.627 ( 10.407 -0.000 -14.394) 17.762 14.627 ( 10.407 -0.000 14.394) 17.762 16.478 ( 2.354 -0.000 -13.568) 13.770 16.478 ( 2.354 -0.000 13.568) 13.770 16.808 ( -0.941 0.000 -13.816) 13.849 16.808 ( -0.941 0.000 13.816) 13.849 17.580 ( 2.869 -0.000 -3.370) 4.426 17.580 ( 2.869 -0.000 3.370) 4.426 17.745 ( 1.913 -0.000 -0.650) 2.020 17.745 ( 1.913 -0.000 0.650) 2.020 19.536 ( -0.521 0.000 -11.464) 11.476 19.536 ( -0.521 0.000 11.464) 11.476 20.214 ( 2.541 -0.000 -3.122) 4.026 20.214 ( 2.541 -0.000 3.122) 4.026 20.922 ( 4.111 -0.000 -1.375) 4.335 20.922 ( 4.111 -0.000 1.375) 4.335 21.025 ( 4.999 -0.000 -5.242) 7.244 21.025 ( 4.999 -0.000 5.242) 7.244 22.098 ( -8.312 0.000 -5.607) 10.026 22.098 ( -8.312 0.000 5.607) 10.026 22.927 ( 0.700 -0.000 -6.006) 6.047 22.927 ( 0.700 -0.000 6.006) 6.047 24.901 ( -3.429 0.000 -6.540) 7.384 24.901 ( -3.429 0.000 6.540) 7.384 ======================= Grid point 208 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -2.663 3.124 -6.506) 7.693 2.275 ( -2.663 3.124 6.506) 7.693 2.407 ( 5.929 8.376 -6.011) 11.893 2.407 ( 5.929 8.376 6.011) 11.893 2.962 ( 1.455 -14.357 -10.453) 17.819 2.962 ( 1.455 -14.357 10.453) 17.819 3.339 ( 10.089 3.326 -25.651) 27.764 3.339 ( 10.089 3.326 25.651) 27.764 3.807 ( 6.629 0.789 -6.662) 9.431 3.807 ( 6.629 0.789 6.662) 9.431 4.306 ( 4.759 1.140 -3.542) 6.041 4.306 ( 4.759 1.140 3.542) 6.041 4.557 ( 11.298 5.835 -0.846) 12.744 4.557 ( 11.298 5.835 0.846) 12.744 4.953 ( 9.536 -2.008 -4.009) 10.537 4.953 ( 9.536 -2.008 4.009) 10.537 5.319 ( -9.350 -2.153 -2.297) 9.866 5.319 ( -9.350 -2.153 2.297) 9.866 5.495 ( 5.710 -1.115 -10.342) 11.866 5.495 ( 5.710 -1.115 10.342) 11.866 6.168 ( 1.148 -1.883 -12.278) 12.475 6.168 ( 1.148 -1.883 12.278) 12.475 6.416 ( 0.483 1.070 -5.698) 5.817 6.416 ( 0.483 1.070 5.698) 5.817 6.517 ( 0.069 1.066 -6.752) 6.836 6.517 ( 0.069 1.066 6.752) 6.836 7.062 ( -10.982 -5.749 -3.757) 12.953 7.062 ( -10.982 -5.749 3.757) 12.953 7.492 ( -7.018 7.116 -1.448) 10.099 7.492 ( -7.018 7.116 1.448) 10.099 7.986 ( -0.030 -1.685 -7.049) 7.248 7.986 ( -0.030 -1.685 7.049) 7.248 8.118 ( -4.566 -3.233 -6.953) 8.924 8.118 ( -4.566 -3.233 6.953) 8.924 8.838 ( 4.050 9.728 -5.391) 11.837 8.838 ( 4.050 9.728 5.391) 11.837 9.185 ( 4.675 -0.462 -9.069) 10.214 9.185 ( 4.675 -0.462 9.069) 10.214 10.022 ( 3.452 2.401 -0.291) 4.215 10.022 ( 3.452 2.401 0.291) 4.215 10.410 ( -0.228 -3.785 -11.354) 11.970 10.410 ( -0.228 -3.785 11.354) 11.970 10.929 ( 0.342 -0.920 -0.667) 1.186 10.929 ( 0.342 -0.920 0.667) 1.186 11.965 ( 4.262 -0.421 -0.862) 4.369 11.965 ( 4.262 -0.421 0.862) 4.369 12.500 ( 6.043 -2.248 -9.864) 11.784 12.500 ( 6.043 -2.248 9.864) 11.784 13.537 ( -0.156 2.926 -9.913) 10.337 13.537 ( -0.156 2.926 9.913) 10.337 13.896 ( -3.710 4.155 -7.972) 9.725 13.896 ( -3.710 4.155 7.972) 9.725 14.251 ( -6.774 -3.494 -3.227) 8.277 14.251 ( -6.774 -3.494 3.227) 8.277 14.835 ( 9.285 -4.579 -17.141) 20.025 14.835 ( 9.285 -4.579 17.141) 20.025 16.548 ( 6.723 1.620 -12.939) 14.671 16.548 ( 6.723 1.620 12.939) 14.671 16.801 ( -0.397 -0.963 -17.166) 17.197 16.801 ( -0.397 -0.963 17.166) 17.197 17.663 ( 6.565 0.229 -5.426) 8.520 17.663 ( 6.565 0.229 5.426) 8.520 17.809 ( 5.350 -0.024 -1.013) 5.445 17.809 ( 5.350 -0.024 1.013) 5.445 19.489 ( -4.305 0.278 -12.870) 13.573 19.489 ( -4.305 0.278 12.870) 13.573 20.213 ( -2.133 1.187 -6.986) 7.400 20.213 ( -2.133 1.187 6.986) 7.400 20.973 ( 2.742 3.824 -0.669) 4.753 20.973 ( 2.742 3.824 0.669) 4.753 21.018 ( 1.335 6.375 -4.396) 7.858 21.018 ( 1.335 6.375 4.396) 7.858 22.048 ( -2.306 -5.998 -6.988) 9.494 22.048 ( -2.306 -5.998 6.988) 9.494 22.928 ( -2.431 -2.447 -6.025) 6.943 22.928 ( -2.431 -2.447 6.025) 6.943 24.861 ( -1.686 -0.527 -5.890) 6.149 24.861 ( -1.686 -0.527 5.890) 6.149 ======================= Grid point 210 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -11.673 0.614 -4.171) 12.411 2.129 ( -11.673 0.614 4.171) 12.411 2.341 ( 2.825 10.366 -3.649) 11.347 2.341 ( 2.825 10.366 3.649) 11.347 3.140 ( 2.326 -5.381 -6.208) 8.539 3.140 ( 2.326 -5.381 6.208) 8.539 3.373 ( 1.623 6.963 -10.405) 12.625 3.373 ( 1.623 6.963 10.405) 12.625 4.004 ( 11.585 -3.444 -9.104) 15.131 4.004 ( 11.585 -3.444 9.104) 15.131 4.386 ( 1.002 3.613 -12.630) 13.175 4.386 ( 1.002 3.613 12.630) 13.175 4.468 ( -2.083 8.340 -1.676) 8.758 4.468 ( -2.083 8.340 1.676) 8.758 4.962 ( -5.311 6.116 -5.743) 9.929 4.962 ( -5.311 6.116 5.743) 9.929 5.179 ( -4.365 -4.152 -6.314) 8.727 5.179 ( -4.365 -4.152 6.314) 8.727 5.719 ( 10.975 -4.474 -2.516) 12.116 5.719 ( 10.975 -4.474 2.516) 12.116 6.208 ( -1.192 -1.128 -11.724) 11.839 6.208 ( -1.192 -1.128 11.724) 11.839 6.371 ( 0.892 4.338 -7.582) 8.781 6.371 ( 0.892 4.338 7.582) 8.781 6.545 ( 2.923 0.912 -6.972) 7.615 6.545 ( 2.923 0.912 6.972) 7.615 7.009 ( -6.500 -6.518 -4.817) 10.389 7.009 ( -6.500 -6.518 4.817) 10.389 7.237 ( -11.209 4.571 -1.708) 12.225 7.237 ( -11.209 4.571 1.708) 12.225 7.924 ( -10.075 -5.997 -8.279) 14.353 7.924 ( -10.075 -5.997 8.279) 14.353 8.184 ( 4.752 -0.848 -7.921) 9.275 8.184 ( 4.752 -0.848 7.921) 9.275 8.746 ( 1.940 12.435 -9.351) 15.679 8.746 ( 1.940 12.435 9.351) 15.679 9.253 ( 5.261 1.649 -7.362) 9.198 9.253 ( 5.261 1.649 7.362) 9.198 9.997 ( -2.303 2.262 -4.777) 5.765 9.997 ( -2.303 2.262 4.777) 5.765 10.525 ( 7.367 -3.224 -6.822) 10.545 10.525 ( 7.367 -3.224 6.822) 10.545 10.951 ( 0.429 -1.323 -0.952) 1.685 10.951 ( 0.429 -1.323 0.952) 1.685 12.087 ( 9.390 0.138 -1.822) 9.566 12.087 ( 9.390 0.138 1.822) 9.566 12.630 ( 5.121 -2.229 -8.481) 10.155 12.630 ( 5.121 -2.229 8.481) 10.155 13.456 ( -0.139 7.307 -7.381) 10.387 13.456 ( -0.139 7.307 7.381) 10.387 13.835 ( -2.417 -1.663 -8.396) 8.894 13.835 ( -2.417 -1.663 8.396) 8.894 14.177 ( -7.392 -3.565 -4.031) 9.143 14.177 ( -7.392 -3.565 4.031) 9.143 15.026 ( 6.592 -3.810 -18.806) 20.288 15.026 ( 6.592 -3.810 18.806) 20.288 16.630 ( 6.675 5.016 -13.415) 15.801 16.630 ( 6.675 5.016 13.415) 15.801 16.846 ( 4.078 -2.496 -16.590) 17.266 16.846 ( 4.078 -2.496 16.590) 17.266 17.771 ( 6.900 1.699 -11.047) 13.135 17.771 ( 6.900 1.698 11.047) 13.135 17.926 ( 9.043 0.677 -3.780) 9.824 17.926 ( 9.043 0.677 3.780) 9.824 19.398 ( -6.848 -1.024 -12.951) 14.686 19.398 ( -6.848 -1.024 12.951) 14.686 20.093 ( -7.693 5.428 -8.324) 12.567 20.093 ( -7.693 5.428 8.324) 12.567 20.861 ( -1.849 8.219 -7.323) 11.162 20.861 ( -1.849 8.219 7.323) 11.162 21.024 ( 3.352 3.711 -11.414) 12.462 21.024 ( 3.352 3.711 11.414) 12.462 22.132 ( 1.179 -7.555 -9.274) 12.020 22.132 ( 1.179 -7.554 9.274) 12.020 22.908 ( -4.548 -4.032 -6.516) 8.911 22.908 ( -4.548 -4.032 6.516) 8.911 24.859 ( -0.082 -1.515 -5.631) 5.832 24.859 ( -0.082 -1.515 5.631) 5.832 ======================= Grid point 212 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -16.443 -0.451 -4.254) 16.990 1.884 ( -16.443 -0.451 4.254) 16.990 2.272 ( 3.120 9.510 -5.860) 11.599 2.272 ( 3.120 9.510 5.860) 11.599 3.150 ( -1.179 5.666 -18.265) 19.160 3.150 ( -1.179 5.666 18.265) 19.160 3.177 ( -12.958 11.456 -6.771) 18.574 3.177 ( -12.958 11.456 6.771) 18.574 3.998 ( -7.164 1.496 -7.307) 10.342 3.998 ( -7.164 1.496 7.307) 10.342 4.352 ( 7.123 1.850 -7.106) 10.230 4.352 ( 7.123 1.850 7.106) 10.230 4.561 ( 6.866 5.860 -8.228) 12.214 4.561 ( 6.866 5.860 8.228) 12.214 4.728 ( 2.203 14.997 -10.664) 18.533 4.728 ( 2.203 14.997 10.664) 18.533 5.216 ( -0.939 -5.355 -9.750) 11.163 5.216 ( -0.939 -5.355 9.750) 11.163 5.898 ( 4.243 -0.236 -2.691) 5.030 5.898 ( 4.243 -0.236 2.691) 5.030 6.113 ( -8.065 1.186 -13.730) 15.968 6.113 ( -8.065 1.186 13.730) 15.968 6.364 ( 3.720 4.188 -8.381) 10.081 6.364 ( 3.720 4.188 8.381) 10.081 6.559 ( 2.439 3.665 -7.475) 8.675 6.559 ( 2.439 3.665 7.475) 8.675 6.947 ( -6.646 -3.496 -4.838) 8.933 6.947 ( -6.646 -3.496 4.838) 8.933 7.097 ( -8.379 -6.935 -0.169) 10.878 7.097 ( -8.379 -6.935 0.169) 10.878 7.838 ( -10.357 -9.132 -10.803) 17.531 7.838 ( -10.357 -9.132 10.803) 17.531 8.226 ( 2.352 4.738 -7.428) 9.119 8.226 ( 2.352 4.738 7.428) 9.119 8.616 ( 0.722 10.803 -12.952) 16.881 8.616 ( 0.722 10.803 12.952) 16.881 9.344 ( 7.819 1.732 -4.587) 9.229 9.344 ( 7.819 1.732 4.587) 9.229 9.916 ( -4.653 0.509 -5.402) 7.148 9.916 ( -4.653 0.509 5.402) 7.148 10.695 ( 8.728 -0.952 -3.427) 9.425 10.695 ( 8.728 -0.952 3.427) 9.425 10.970 ( 0.102 -0.761 -1.386) 1.585 10.970 ( 0.102 -0.761 1.386) 1.585 12.260 ( 11.417 1.099 -3.052) 11.869 12.260 ( 11.417 1.099 3.052) 11.869 12.689 ( 1.215 2.334 -7.229) 7.693 12.689 ( 1.215 2.334 7.229) 7.693 13.415 ( 3.037 1.891 -2.915) 4.615 13.415 ( 3.037 1.891 2.915) 4.615 13.818 ( -2.852 -1.702 -12.318) 12.758 13.818 ( -2.852 -1.702 12.318) 12.758 14.091 ( -7.641 -3.487 -3.394) 9.059 14.091 ( -7.641 -3.487 3.394) 9.059 15.147 ( 4.211 -1.103 -18.545) 19.049 15.147 ( 4.211 -1.103 18.545) 19.049 16.650 ( 3.816 4.965 -14.148) 15.472 16.650 ( 3.816 4.965 14.148) 15.472 16.984 ( 8.661 -0.340 -12.526) 15.233 16.984 ( 8.661 -0.340 12.526) 15.233 17.848 ( 5.903 2.860 -10.209) 12.134 17.848 ( 5.903 2.860 10.209) 12.134 18.089 ( 11.775 2.035 -4.483) 12.762 18.089 ( 11.775 2.035 4.483) 12.762 19.286 ( -9.758 -3.396 -12.956) 16.571 19.286 ( -9.758 -3.396 12.956) 16.571 19.819 ( -11.446 11.101 -7.148) 17.474 19.819 ( -11.446 11.101 7.148) 17.474 20.763 ( -0.870 3.672 -8.527) 9.325 20.763 ( -0.870 3.672 8.527) 9.325 21.013 ( 1.884 5.127 -14.381) 15.384 21.013 ( 1.884 5.127 14.381) 15.384 22.253 ( 1.928 -6.988 -10.125) 12.453 22.253 ( 1.928 -6.988 10.125) 12.453 22.884 ( -4.365 -4.672 -7.225) 9.648 22.884 ( -4.365 -4.672 7.225) 9.648 24.893 ( 0.937 -2.660 -5.963) 6.596 24.893 ( 0.937 -2.660 5.963) 6.596 ======================= Grid point 214 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -15.972 1.141 -9.266) 18.500 1.600 ( -15.972 1.141 9.266) 18.500 2.184 ( 2.419 12.556 -2.365) 13.004 2.184 ( 2.419 12.556 2.365) 13.004 2.626 ( -21.130 17.358 -5.970) 27.990 2.626 ( -21.130 17.358 5.970) 27.990 3.134 ( 2.605 1.493 -17.075) 17.337 3.134 ( 2.605 1.493 17.075) 17.337 3.961 ( 2.586 4.821 -8.028) 9.714 3.961 ( 2.586 4.821 8.028) 9.714 4.276 ( -6.710 20.181 -12.958) 24.904 4.276 ( -6.710 20.181 12.958) 24.904 4.329 ( 2.613 16.048 -4.190) 16.790 4.329 ( 2.613 16.048 4.190) 16.790 4.906 ( 17.697 1.801 -5.271) 18.553 4.906 ( 17.697 1.801 5.271) 18.553 5.261 ( -2.568 -4.187 -11.789) 12.772 5.261 ( -2.568 -4.187 11.789) 12.772 5.830 ( -2.988 5.369 -10.926) 12.535 5.830 ( -2.988 5.369 10.926) 12.535 5.957 ( -9.772 -0.086 -12.266) 15.684 5.957 ( -9.772 -0.086 12.266) 15.684 6.388 ( 2.674 3.997 -9.370) 10.532 6.388 ( 2.674 3.997 9.370) 10.532 6.591 ( 4.212 -0.604 -9.030) 9.983 6.591 ( 4.212 -0.604 9.030) 9.983 6.895 ( -4.756 -4.045 -2.660) 6.787 6.895 ( -4.756 -4.045 2.660) 6.787 7.056 ( -7.017 -6.407 -2.366) 9.792 7.056 ( -7.017 -6.407 2.366) 9.792 7.830 ( -5.120 -10.920 -10.982) 16.311 7.830 ( -5.120 -10.920 10.982) 16.311 8.159 ( -0.457 6.444 -6.456) 9.133 8.159 ( -0.457 6.444 6.456) 9.133 8.516 ( 0.610 7.331 -15.602) 17.249 8.516 ( 0.610 7.331 15.602) 17.249 9.441 ( 6.459 4.398 -3.905) 8.736 9.441 ( 6.459 4.398 3.905) 8.736 9.849 ( -3.603 -2.222 -8.584) 9.571 9.849 ( -3.603 -2.222 8.584) 9.571 10.827 ( 6.274 0.552 -1.525) 6.481 10.827 ( 6.274 0.552 1.525) 6.481 10.964 ( -1.202 0.503 -2.591) 2.900 10.964 ( -1.202 0.503 2.591) 2.900 12.416 ( 8.804 3.313 -5.944) 11.127 12.416 ( 8.804 3.313 5.944) 11.127 12.632 ( -1.160 4.298 -6.457) 7.843 12.632 ( -1.160 4.298 6.457) 7.843 13.485 ( 2.549 -2.675 -6.356) 7.352 13.485 ( 2.549 -2.675 6.356) 7.352 13.780 ( -1.644 0.445 -15.022) 15.118 13.780 ( -1.644 0.445 15.022) 15.118 14.020 ( -5.590 -3.916 -1.690) 7.031 14.020 ( -5.590 -3.916 1.690) 7.031 15.202 ( 2.511 1.279 -16.997) 17.229 15.202 ( 2.511 1.279 16.997) 17.229 16.647 ( 2.266 3.860 -13.026) 13.773 16.647 ( 2.266 3.860 13.026) 13.773 17.102 ( 6.248 3.029 -10.091) 12.249 17.102 ( 6.248 3.029 10.091) 12.249 17.909 ( 5.324 2.645 -5.369) 8.010 17.909 ( 5.324 2.645 5.369) 8.010 18.261 ( 11.212 2.222 -3.104) 11.844 18.261 ( 11.212 2.222 3.104) 11.844 19.140 ( -12.914 -3.523 -11.646) 17.743 19.140 ( -12.914 -3.523 11.646) 17.743 19.488 ( -8.130 12.116 -4.145) 15.168 19.488 ( -8.130 12.116 4.145) 15.168 20.727 ( -0.218 1.313 -10.565) 10.648 20.727 ( -0.218 1.313 10.565) 10.648 20.964 ( 0.485 5.578 -16.267) 17.203 20.964 ( 0.485 5.578 16.267) 17.203 22.363 ( 1.129 -6.292 -9.986) 11.857 22.363 ( 1.129 -6.292 9.986) 11.857 22.888 ( -1.895 -4.677 -7.405) 8.961 22.888 ( -1.895 -4.677 7.405) 8.961 24.952 ( 1.056 -3.773 -6.592) 7.668 24.952 ( 1.056 -3.773 6.592) 7.668 ======================= Grid point 216 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 7.671 -15.277) 17.095 1.378 ( 0.000 7.671 15.277) 17.095 2.030 ( 0.000 15.564 -12.265) 19.816 2.030 ( 0.000 15.564 12.265) 19.816 2.213 ( 0.000 15.242 -7.311) 16.904 2.213 ( 0.000 15.242 7.311) 16.904 3.194 ( -0.000 -5.618 -9.364) 10.920 3.194 ( -0.000 -5.618 9.364) 10.920 3.787 ( 0.000 28.386 -19.398) 34.380 3.787 ( 0.000 28.386 19.398) 34.380 3.887 ( 0.000 26.895 -11.125) 29.106 3.887 ( 0.000 26.895 11.125) 29.106 4.252 ( 0.000 1.185 -5.686) 5.809 4.252 ( 0.000 1.185 5.686) 5.809 5.151 ( -0.000 -0.041 -5.199) 5.199 5.151 ( -0.000 -0.041 5.199) 5.199 5.154 ( 0.000 0.532 -11.157) 11.170 5.154 ( 0.000 0.532 11.157) 11.170 5.728 ( 0.000 12.734 -6.681) 14.380 5.728 ( 0.000 12.734 6.681) 14.380 5.917 ( -0.000 -12.451 -27.006) 29.738 5.917 ( -0.000 -12.451 27.006) 29.738 6.340 ( 0.000 5.218 -9.920) 11.208 6.340 ( 0.000 5.218 9.920) 11.208 6.612 ( 0.000 1.152 -9.417) 9.487 6.612 ( 0.000 1.152 9.417) 9.487 6.990 ( -0.000 -9.319 -3.423) 9.928 6.990 ( -0.000 -9.319 3.423) 9.928 6.998 ( -0.000 -1.392 -6.209) 6.363 6.998 ( -0.000 -1.392 6.209) 6.363 7.895 ( -0.000 -3.140 -7.846) 8.451 7.895 ( -0.000 -3.140 7.846) 8.451 8.126 ( -0.000 -4.891 -6.001) 7.741 8.126 ( -0.000 -4.891 6.001) 7.741 8.441 ( 0.000 5.663 -16.427) 17.376 8.441 ( 0.000 5.663 16.427) 17.376 9.407 ( 0.000 9.429 -3.725) 10.139 9.407 ( 0.000 9.429 3.725) 10.139 9.865 ( -0.000 -4.057 -10.671) 11.416 9.865 ( -0.000 -4.057 10.671) 11.416 10.876 ( 0.000 2.514 -2.142) 3.303 10.876 ( 0.000 2.514 2.142) 3.303 10.929 ( 0.000 0.909 -6.649) 6.711 10.929 ( 0.000 0.909 6.649) 6.711 12.414 ( 0.000 7.386 -11.236) 13.446 12.414 ( 0.000 7.386 11.236) 13.446 12.608 ( 0.000 0.210 -2.249) 2.258 12.608 ( 0.000 0.210 2.249) 2.258 13.497 ( 0.000 4.160 -2.317) 4.762 13.497 ( 0.000 4.160 2.317) 4.762 13.798 ( -0.000 -5.711 -11.777) 13.088 13.798 ( -0.000 -5.711 11.777) 13.088 14.019 ( -0.000 -3.803 -0.139) 3.806 14.019 ( -0.000 -3.803 0.139) 3.806 15.196 ( 0.000 3.623 -15.187) 15.613 15.196 ( 0.000 3.623 15.187) 15.613 16.623 ( 0.000 3.285 -10.229) 10.744 16.623 ( 0.000 3.285 10.229) 10.744 17.104 ( 0.000 4.787 -7.501) 8.898 17.104 ( 0.000 4.787 7.501) 8.898 17.937 ( 0.000 1.921 -2.604) 3.236 17.937 ( 0.000 1.921 2.604) 3.236 18.367 ( 0.000 0.620 -2.127) 2.215 18.367 ( 0.000 0.620 2.127) 2.215 18.990 ( 0.000 3.014 -2.889) 4.175 18.990 ( 0.000 3.014 2.889) 4.175 19.314 ( 0.000 3.464 -10.047) 10.628 19.314 ( 0.000 3.464 10.047) 10.628 20.708 ( 0.000 1.814 -15.174) 15.282 20.708 ( 0.000 1.814 15.174) 15.282 20.903 ( 0.000 4.229 -14.547) 15.149 20.903 ( 0.000 4.229 14.547) 15.149 22.446 ( -0.000 -5.514 -8.894) 10.465 22.446 ( -0.000 -5.514 8.894) 10.465 22.930 ( -0.000 -3.831 -7.093) 8.061 22.930 ( -0.000 -3.831 7.093) 8.061 25.015 ( -0.000 -4.579 -7.014) 8.376 25.015 ( -0.000 -4.579 7.014) 8.376 ======================= Grid point 226 (70/75) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -13.357 0.000 -1.671) 13.461 2.131 ( -13.357 0.000 1.671) 13.461 2.642 ( 6.967 -0.000 -3.873) 7.971 2.642 ( 6.967 -0.000 3.873) 7.971 2.852 ( 2.003 -0.000 -15.183) 15.315 2.852 ( 2.003 -0.000 15.183) 15.315 3.521 ( 6.928 -0.000 -20.184) 21.340 3.521 ( 6.928 -0.000 20.184) 21.340 3.983 ( 13.124 -0.000 -5.998) 14.430 3.983 ( 13.124 -0.000 5.998) 14.430 4.376 ( 0.502 -0.000 -8.589) 8.603 4.376 ( 0.502 -0.000 8.589) 8.603 4.657 ( -14.371 0.000 -4.732) 15.130 4.657 ( -14.371 0.000 4.732) 15.130 4.940 ( 6.247 -0.000 -0.206) 6.250 4.940 ( 6.247 -0.000 0.206) 6.250 5.187 ( -3.485 0.000 -11.763) 12.268 5.187 ( -3.485 0.000 11.763) 12.268 5.659 ( 10.382 -0.000 -2.537) 10.688 5.659 ( 10.382 -0.000 2.537) 10.688 6.145 ( -0.725 0.000 -9.999) 10.025 6.145 ( -0.725 0.000 9.999) 10.025 6.477 ( 3.451 -0.000 -9.475) 10.084 6.477 ( 3.451 -0.000 9.475) 10.084 6.544 ( 2.869 -0.000 -12.259) 12.590 6.544 ( 2.869 -0.000 12.259) 12.590 6.884 ( -5.069 0.000 -1.988) 5.445 6.884 ( -5.069 0.000 1.988) 5.445 7.380 ( -12.653 0.000 -1.385) 12.729 7.380 ( -12.653 0.000 1.385) 12.729 7.816 ( -13.200 0.000 -7.522) 15.193 7.816 ( -13.200 0.000 7.522) 15.193 8.165 ( 8.003 -0.000 -9.724) 12.594 8.165 ( 8.003 -0.000 9.724) 12.594 8.922 ( -0.586 0.000 -7.722) 7.744 8.922 ( -0.586 0.000 7.722) 7.744 9.275 ( 5.820 -0.000 -6.183) 8.491 9.275 ( 5.820 -0.000 6.183) 8.491 10.031 ( -4.688 0.000 -0.078) 4.689 10.031 ( -4.688 0.000 0.078) 4.689 10.473 ( 10.309 -0.000 -8.481) 13.350 10.473 ( 10.309 -0.000 8.481) 13.350 10.930 ( 0.511 -0.000 -0.865) 1.005 10.930 ( 0.511 -0.000 0.865) 1.005 12.088 ( 10.047 -0.000 -1.304) 10.131 12.088 ( 10.047 -0.000 1.304) 10.131 12.593 ( 6.280 -0.000 -9.186) 11.127 12.593 ( 6.280 -0.000 9.186) 11.127 13.564 ( 0.645 -0.000 -10.437) 10.457 13.564 ( 0.645 -0.000 10.437) 10.457 13.836 ( -5.980 0.000 -9.082) 10.874 13.836 ( -5.980 0.000 9.082) 10.874 14.104 ( -7.073 0.000 -1.526) 7.236 14.104 ( -7.073 0.000 1.526) 7.236 14.964 ( 8.447 -0.000 -18.370) 20.219 14.964 ( 8.447 -0.000 18.370) 20.219 16.719 ( 10.183 -0.000 -10.445) 14.587 16.719 ( 10.183 -0.000 10.445) 14.587 16.791 ( 1.542 -0.000 -17.088) 17.157 16.791 ( 1.542 -0.000 17.088) 17.157 17.792 ( 7.529 -0.000 -11.735) 13.943 17.792 ( 7.529 -0.000 11.735) 13.943 17.933 ( 9.404 -0.000 -2.844) 9.824 17.933 ( 9.404 -0.000 2.844) 9.824 19.386 ( -7.887 0.000 -13.481) 15.619 19.386 ( -7.887 0.000 13.481) 15.619 20.160 ( -4.951 0.000 -10.257) 11.389 20.160 ( -4.951 0.000 10.257) 11.389 21.029 ( -3.370 0.000 -0.903) 3.489 21.029 ( -3.370 0.000 0.903) 3.489 21.057 ( 2.751 -0.000 -2.932) 4.020 21.057 ( 2.751 -0.000 2.932) 4.020 22.006 ( 1.937 -0.000 -2.258) 2.974 22.006 ( 1.937 -0.000 2.258) 2.974 22.848 ( -4.876 0.000 -5.785) 7.566 22.848 ( -4.876 0.000 5.785) 7.566 24.838 ( -0.493 0.000 -4.785) 4.810 24.838 ( -0.493 0.000 4.785) 4.810 ======================= Grid point 228 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -17.118 -0.495 -1.858) 17.226 1.869 ( -17.118 -0.495 1.858) 17.226 2.587 ( 5.243 15.697 -2.766) 16.779 2.587 ( 5.243 15.697 2.766) 16.779 3.046 ( 2.327 -13.294 -9.802) 16.680 3.046 ( 2.327 -13.294 9.802) 16.680 3.496 ( -4.694 10.063 -9.385) 14.539 3.496 ( -4.694 10.063 9.385) 14.539 4.053 ( -15.236 3.306 -18.702) 24.348 4.053 ( -15.236 3.306 18.702) 24.348 4.284 ( 7.637 -4.197 -8.877) 12.439 4.284 ( 7.637 -4.197 8.877) 12.439 4.597 ( 7.186 -0.592 -3.047) 7.828 4.597 ( 7.186 -0.592 3.047) 7.828 5.003 ( -3.733 1.795 -7.387) 8.470 5.003 ( -3.734 1.795 7.387) 8.470 5.197 ( 9.670 5.324 -3.043) 11.450 5.197 ( 9.670 5.324 3.043) 11.450 5.807 ( 4.975 -3.914 -1.308) 6.464 5.807 ( 4.975 -3.914 1.308) 6.464 6.138 ( -2.547 -0.515 -13.521) 13.768 6.138 ( -2.547 -0.515 13.521) 13.768 6.492 ( 3.465 5.064 -1.666) 6.358 6.492 ( 3.465 5.064 1.666) 6.358 6.619 ( 4.515 0.101 -8.739) 9.837 6.619 ( 4.515 0.101 8.739) 9.837 6.865 ( -2.394 -3.801 -3.384) 5.625 6.865 ( -2.394 -3.801 3.384) 5.625 7.091 ( -14.138 5.310 -0.491) 15.111 7.091 ( -14.138 5.310 0.491) 15.111 7.624 ( -14.059 -6.522 -8.462) 17.658 7.624 ( -14.059 -6.522 8.462) 17.658 8.304 ( 8.143 1.362 -8.796) 12.064 8.304 ( 8.143 1.362 8.796) 12.064 8.849 ( -2.832 5.935 -11.093) 12.895 8.849 ( -2.832 5.935 11.093) 12.895 9.375 ( 6.807 0.781 -4.694) 8.305 9.375 ( 6.807 0.781 4.694) 8.305 9.918 ( -7.544 -0.217 -2.736) 8.027 9.918 ( -7.544 -0.217 2.736) 8.027 10.676 ( 11.353 -0.397 -3.586) 11.913 10.676 ( 11.353 -0.397 3.586) 11.913 10.946 ( 0.671 -0.782 -0.758) 1.279 10.946 ( 0.671 -0.782 0.758) 1.279 12.282 ( 12.583 0.535 -2.199) 12.785 12.282 ( 12.583 0.535 2.199) 12.785 12.693 ( 4.124 -0.775 -7.837) 8.890 12.693 ( 4.124 -0.775 7.837) 8.890 13.532 ( -0.758 4.983 -7.728) 9.226 13.532 ( -0.758 4.983 7.728) 9.226 13.755 ( -3.701 -2.248 -8.343) 9.400 13.755 ( -3.701 -2.248 8.343) 9.400 14.005 ( -7.205 -2.782 -2.206) 8.033 14.005 ( -7.205 -2.782 2.206) 8.033 15.097 ( 5.527 -1.737 -19.394) 20.241 15.097 ( 5.527 -1.737 19.394) 20.241 16.751 ( 0.702 2.340 -18.072) 18.236 16.751 ( 0.702 2.340 18.072) 18.236 16.973 ( 13.475 -0.286 -12.886) 18.647 16.973 ( 13.475 -0.286 12.886) 18.647 17.897 ( 5.612 0.994 -12.149) 13.420 17.897 ( 5.612 0.994 12.149) 13.420 18.118 ( 11.972 0.454 -3.998) 12.630 18.118 ( 11.972 0.454 3.998) 12.630 19.232 ( -10.677 -0.987 -12.719) 16.635 19.232 ( -10.677 -0.987 12.719) 16.635 20.035 ( -6.684 4.639 -11.443) 14.040 20.035 ( -6.684 4.639 11.443) 14.040 20.909 ( -3.447 6.447 -2.598) 7.759 20.909 ( -3.447 6.447 2.598) 7.759 21.099 ( 1.938 0.848 -8.124) 8.395 21.099 ( 1.938 0.848 8.124) 8.395 22.085 ( 2.706 -4.846 -5.044) 7.500 22.085 ( 2.706 -4.846 5.044) 7.500 22.776 ( -5.281 -2.875 -6.250) 8.673 22.776 ( -5.281 -2.875 6.250) 8.673 24.844 ( 0.320 -1.081 -4.248) 4.396 24.844 ( 0.320 -1.081 4.248) 4.396 ======================= Grid point 230 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -14.458 -0.705 -5.567) 15.509 1.598 ( -14.458 -0.705 5.567) 15.509 2.497 ( 5.898 13.738 -0.505) 14.959 2.497 ( 5.898 13.738 0.505) 14.959 2.987 ( -16.390 9.558 -5.721) 19.817 2.987 ( -16.390 9.558 5.721) 19.817 3.286 ( 0.120 5.363 -18.971) 19.714 3.286 ( 0.120 5.363 18.971) 19.714 3.886 ( -2.721 -3.517 -14.947) 15.594 3.886 ( -2.721 -3.517 14.947) 15.594 4.476 ( 7.362 0.325 -9.469) 11.999 4.476 ( 7.362 0.325 9.469) 11.999 4.678 ( -0.568 4.611 -2.018) 5.065 4.678 ( -0.568 4.611 2.018) 5.065 4.959 ( 4.466 -2.651 -9.909) 11.188 4.959 ( 4.466 -2.651 9.909) 11.188 5.255 ( 7.864 9.880 -4.441) 13.386 5.255 ( 7.864 9.880 4.441) 13.386 5.931 ( 1.644 -3.890 -3.637) 5.574 5.931 ( 1.644 -3.890 3.637) 5.574 6.000 ( -8.066 7.894 -15.544) 19.209 6.000 ( -8.066 7.894 15.544) 19.209 6.499 ( 4.123 4.126 -4.373) 7.290 6.499 ( 4.123 4.126 4.373) 7.290 6.647 ( 1.416 3.263 -6.841) 7.711 6.647 ( 1.416 3.263 6.841) 7.711 6.781 ( -8.138 -2.456 -4.746) 9.736 6.781 ( -8.138 -2.456 4.746) 9.736 6.962 ( -0.752 -1.547 -0.513) 1.795 6.962 ( -0.752 -1.547 0.513) 1.795 7.523 ( -9.844 -11.576 -10.203) 18.304 7.523 ( -9.844 -11.576 10.203) 18.304 8.363 ( 4.233 7.235 -7.086) 10.976 8.363 ( 4.233 7.235 7.086) 10.976 8.712 ( -2.324 7.324 -14.584) 16.485 8.712 ( -2.324 7.324 14.584) 16.485 9.493 ( 7.755 0.540 -4.773) 9.122 9.493 ( 7.755 0.540 4.773) 9.122 9.801 ( -7.302 -1.651 -4.363) 8.665 9.801 ( -7.302 -1.651 4.363) 8.665 10.833 ( 6.654 0.128 -0.579) 6.680 10.833 ( 6.654 0.128 0.579) 6.680 10.964 ( 0.230 -0.321 -1.986) 2.025 10.964 ( 0.230 -0.321 1.986) 2.025 12.476 ( 11.349 1.649 -3.345) 11.947 12.476 ( 11.349 1.649 3.345) 11.947 12.716 ( -1.484 1.794 -6.205) 6.628 12.716 ( -1.484 1.794 6.205) 6.628 13.469 ( -0.211 1.759 -5.526) 5.803 13.469 ( -0.211 1.759 5.526) 5.803 13.757 ( -0.375 -2.310 -11.400) 11.638 13.757 ( -0.375 -2.310 11.400) 11.638 13.927 ( -6.098 -3.273 -1.968) 7.195 13.927 ( -6.098 -3.273 1.968) 7.195 15.187 ( 2.524 -1.667 -19.385) 19.620 15.187 ( 2.524 -1.667 19.385) 19.620 16.732 ( 0.658 2.438 -18.650) 18.821 16.732 ( 0.658 2.438 18.650) 18.821 17.169 ( 9.744 2.288 -15.886) 18.776 17.169 ( 9.744 2.288 15.886) 18.776 17.963 ( 3.997 1.518 -6.224) 7.551 17.963 ( 3.997 1.518 6.224) 7.551 18.298 ( 9.529 0.869 -2.594) 9.914 18.298 ( 9.529 0.869 2.594) 9.914 19.065 ( -10.455 -2.067 -12.535) 16.453 19.065 ( -10.455 -2.067 12.535) 16.453 19.823 ( -5.661 11.597 -11.347) 17.185 19.823 ( -5.661 11.597 11.347) 17.185 20.795 ( -1.271 4.740 -4.770) 6.844 20.795 ( -1.271 4.740 4.770) 6.844 21.095 ( 0.895 3.674 -12.531) 13.089 21.095 ( 0.895 3.674 12.531) 13.089 22.193 ( 1.332 -6.506 -7.482) 10.004 22.193 ( 1.332 -6.506 7.482) 10.004 22.754 ( -3.114 -5.192 -7.102) 9.333 22.754 ( -3.114 -5.192 7.102) 9.333 24.873 ( 0.497 -2.328 -4.691) 5.261 24.873 ( 0.497 -2.328 4.691) 5.261 ======================= Grid point 232 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 0.000 0.488 -10.419) 10.430 1.460 ( 0.000 0.488 10.419) 10.430 2.403 ( 0.000 13.626 -2.118) 13.790 2.403 ( 0.000 13.626 2.118) 13.789 2.627 ( 0.000 15.688 -6.013) 16.801 2.627 ( 0.000 15.688 6.013) 16.801 3.209 ( 0.000 7.167 -21.469) 22.633 3.209 ( 0.000 7.167 21.469) 22.633 3.960 ( -0.000 -7.151 -9.612) 11.980 3.960 ( -0.000 -7.151 9.612) 11.980 4.432 ( 0.000 14.080 -12.837) 19.054 4.432 ( 0.000 14.080 12.837) 19.054 4.554 ( 0.000 12.489 -3.646) 13.010 4.554 ( 0.000 12.489 3.646) 13.010 5.112 ( -0.000 -6.988 -14.536) 16.129 5.112 ( -0.000 -6.988 14.536) 16.129 5.225 ( 0.000 7.731 -8.134) 11.221 5.225 ( 0.000 7.731 8.134) 11.221 5.761 ( 0.000 5.547 -18.526) 19.338 5.761 ( 0.000 5.547 18.526) 19.338 5.956 ( 0.000 3.707 -5.146) 6.342 5.956 ( 0.000 3.707 5.146) 6.342 6.481 ( 0.000 5.574 -6.615) 8.651 6.481 ( 0.000 5.574 6.615) 8.651 6.664 ( 0.000 3.115 -10.998) 11.431 6.664 ( 0.000 3.115 10.998) 11.431 6.747 ( -0.000 -9.111 -6.521) 11.204 6.747 ( -0.000 -9.111 6.521) 11.204 6.966 ( -0.000 -0.652 -3.328) 3.391 6.966 ( -0.000 -0.652 3.328) 3.391 7.608 ( -0.000 -14.533 -11.283) 18.399 7.608 ( -0.000 -14.533 11.283) 18.399 8.274 ( 0.000 10.591 -6.505) 12.429 8.274 ( 0.000 10.591 6.505) 12.429 8.607 ( 0.000 6.987 -16.572) 17.984 8.607 ( 0.000 6.987 16.572) 17.984 9.561 ( 0.000 3.277 -8.024) 8.667 9.561 ( 0.000 3.277 8.024) 8.667 9.757 ( -0.000 -4.203 -9.955) 10.806 9.757 ( -0.000 -4.203 9.955) 10.806 10.896 ( -0.000 -0.237 -2.661) 2.671 10.896 ( -0.000 -0.237 2.661) 2.671 10.954 ( 0.000 1.003 -5.164) 5.261 10.954 ( 0.000 1.003 5.164) 5.261 12.592 ( 0.000 6.145 -8.590) 10.562 12.592 ( 0.000 6.145 8.590) 10.562 12.617 ( 0.000 0.497 -2.808) 2.852 12.617 ( 0.000 0.497 2.808) 2.852 13.478 ( -0.000 -1.866 -7.953) 8.169 13.478 ( -0.000 -1.866 7.953) 8.169 13.773 ( -0.000 -0.137 -13.645) 13.645 13.773 ( -0.000 -0.137 13.645) 13.645 13.914 ( -0.000 -4.243 -0.930) 4.344 13.914 ( -0.000 -4.243 0.930) 4.344 15.224 ( -0.000 -0.802 -18.437) 18.454 15.224 ( -0.000 -0.802 18.437) 18.454 16.707 ( 0.000 2.933 -17.078) 17.328 16.707 ( 0.000 2.933 17.078) 17.328 17.213 ( 0.000 3.952 -15.009) 15.521 17.213 ( 0.000 3.952 15.009) 15.521 17.983 ( 0.000 1.594 -2.546) 3.004 17.983 ( 0.000 1.594 2.546) 3.004 18.383 ( 0.000 0.604 -2.172) 2.255 18.383 ( 0.000 0.604 2.172) 2.255 18.983 ( -0.000 -1.867 -13.554) 13.682 18.983 ( -0.000 -1.867 13.554) 13.682 19.596 ( 0.000 15.052 -10.279) 18.227 19.596 ( 0.000 15.052 10.279) 18.227 20.744 ( 0.000 2.222 -6.669) 7.029 20.744 ( 0.000 2.222 6.669) 7.029 21.042 ( 0.000 5.695 -15.833) 16.826 21.042 ( 0.000 5.695 15.833) 16.826 22.288 ( -0.000 -6.885 -8.955) 11.296 22.288 ( -0.000 -6.885 8.955) 11.296 22.800 ( -0.000 -6.034 -7.448) 9.585 22.800 ( -0.000 -6.034 7.448) 9.585 24.914 ( -0.000 -3.372 -5.671) 6.598 24.914 ( -0.000 -3.372 5.671) 6.598 ======================= Grid point 246 (74/75) ======================= q-point: ( 0.44 -0.56 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -14.223 0.000 -1.381) 14.290 1.586 ( -14.223 0.000 1.381) 14.290 2.839 ( 6.487 -0.000 -4.799) 8.069 2.839 ( 6.487 -0.000 4.799) 8.069 2.959 ( 2.434 -0.000 -10.896) 11.165 2.959 ( 2.434 -0.000 10.896) 11.165 3.308 ( -20.230 0.000 -1.321) 20.273 3.308 ( -20.230 0.000 1.321) 20.273 3.920 ( -1.273 0.000 -26.501) 26.532 3.920 ( -1.273 0.000 26.501) 26.532 4.455 ( 11.029 -0.000 -6.629) 12.867 4.455 ( 11.029 -0.000 6.629) 12.867 4.665 ( 1.492 -0.000 -2.213) 2.670 4.665 ( 1.492 -0.000 2.213) 2.670 4.916 ( -4.845 0.000 -6.377) 8.008 4.916 ( -4.845 0.000 6.377) 8.008 5.476 ( 13.277 -0.000 -2.466) 13.504 5.476 ( 13.277 -0.000 2.466) 13.504 5.816 ( 1.729 -0.000 -0.637) 1.843 5.816 ( 1.729 -0.000 0.637) 1.843 6.112 ( -2.185 0.000 -16.288) 16.434 6.112 ( -2.185 0.000 16.288) 16.434 6.570 ( 1.929 -0.000 -0.869) 2.116 6.570 ( 1.929 -0.000 0.869) 2.116 6.685 ( 2.196 -0.000 -8.584) 8.861 6.685 ( 2.196 -0.000 8.584) 8.861 6.772 ( -8.684 0.000 -1.276) 8.777 6.772 ( -8.684 0.000 1.276) 8.777 6.959 ( -0.998 0.000 -4.522) 4.631 6.959 ( -0.998 0.000 4.522) 4.631 7.347 ( -12.218 0.000 -6.250) 13.724 7.347 ( -12.218 0.000 6.250) 13.724 8.458 ( 7.665 -0.000 -7.575) 10.777 8.458 ( 7.665 -0.000 7.575) 10.777 8.818 ( -4.513 0.000 -12.049) 12.867 8.818 ( -4.513 0.000 12.049) 12.867 9.497 ( 7.115 -0.000 -4.607) 8.476 9.497 ( 7.115 -0.000 4.607) 8.476 9.776 ( -8.253 0.000 -0.692) 8.282 9.776 ( -8.253 0.000 0.692) 8.282 10.835 ( 6.357 -0.000 -0.195) 6.360 10.835 ( 6.357 -0.000 0.195) 6.360 10.958 ( 1.375 -0.000 -1.469) 2.012 10.958 ( 1.375 -0.000 1.469) 2.012 12.498 ( 11.630 -0.000 -2.263) 11.848 12.498 ( 11.630 -0.000 2.263) 11.848 12.732 ( 0.315 -0.000 -5.978) 5.987 12.732 ( 0.315 -0.000 5.978) 5.987 13.514 ( -4.608 0.000 -6.574) 8.029 13.514 ( -4.608 0.000 6.574) 8.029 13.713 ( 1.404 -0.000 -9.007) 9.116 13.713 ( 1.404 -0.000 9.007) 9.116 13.880 ( -5.618 0.000 -0.276) 5.625 13.880 ( -5.618 0.000 0.276) 5.625 15.159 ( 2.889 -0.000 -20.079) 20.285 15.159 ( 2.889 -0.000 20.079) 20.285 16.762 ( -0.189 0.000 -20.214) 20.215 16.762 ( -0.189 0.000 20.214) 20.215 17.202 ( 11.190 -0.000 -18.771) 21.853 17.202 ( 11.190 -0.000 18.771) 21.853 17.982 ( 3.584 -0.000 -6.761) 7.652 17.982 ( 3.584 -0.000 6.761) 7.652 18.309 ( 9.222 -0.000 -2.524) 9.561 18.309 ( 9.222 -0.000 2.524) 9.561 19.040 ( -10.152 0.000 -11.955) 15.684 19.040 ( -10.152 0.000 11.955) 15.684 19.974 ( -4.193 0.000 -12.124) 12.829 19.974 ( -4.193 0.000 12.124) 12.829 20.898 ( -2.507 0.000 -1.050) 2.718 20.898 ( -2.507 0.000 1.050) 2.718 21.125 ( 0.909 -0.000 -4.488) 4.579 21.125 ( 0.909 -0.000 4.488) 4.579 22.099 ( 2.035 -0.000 -3.308) 3.883 22.099 ( 2.035 -0.000 3.308) 3.883 22.679 ( -3.552 0.000 -6.325) 7.254 22.679 ( -3.552 0.000 6.325) 7.254 24.843 ( 0.338 -0.000 -3.281) 3.298 24.843 ( 0.338 -0.000 3.281) 3.298 ======================= Grid point 250 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -0.000 -0.391 -3.711) 3.731 1.454 ( -0.000 -0.391 3.711) 3.731 2.777 ( 0.000 17.394 -7.973) 19.134 2.777 ( 0.000 17.394 7.973) 19.134 2.917 ( 0.000 6.434 -4.599) 7.909 2.917 ( 0.000 6.434 4.599) 7.909 3.234 ( -0.000 -12.180 -15.075) 19.380 3.234 ( -0.000 -12.180 15.075) 19.380 3.878 ( 0.000 4.592 -22.332) 22.799 3.878 ( 0.000 4.592 22.332) 22.799 4.591 ( 0.000 1.360 -8.574) 8.681 4.591 ( 0.000 1.360 8.574) 8.681 4.649 ( -0.000 -2.399 -2.505) 3.468 4.649 ( -0.000 -2.399 2.505) 3.468 4.909 ( -0.000 -5.128 -6.959) 8.644 4.909 ( -0.000 -5.128 6.959) 8.644 5.512 ( 0.000 11.669 -4.647) 12.560 5.512 ( 0.000 11.669 4.647) 12.560 5.905 ( -0.000 -5.963 -4.084) 7.227 5.905 ( -0.000 -5.963 4.084) 7.227 6.022 ( 0.000 7.885 -14.748) 16.723 6.022 ( 0.000 7.885 14.748) 16.723 6.591 ( 0.000 2.710 -1.632) 3.163 6.591 ( 0.000 2.710 1.632) 3.163 6.616 ( -0.000 -0.434 -4.341) 4.362 6.616 ( -0.000 -0.434 4.341) 4.362 6.726 ( 0.000 0.981 -6.405) 6.480 6.726 ( 0.000 0.981 6.405) 6.480 6.980 ( 0.000 1.184 -5.582) 5.706 6.980 ( 0.000 1.184 5.582) 5.706 7.283 ( -0.000 -9.431 -8.361) 12.604 7.283 ( -0.000 -9.431 8.361) 12.604 8.500 ( 0.000 5.655 -5.846) 8.134 8.500 ( 0.000 5.655 5.846) 8.134 8.746 ( 0.000 3.243 -14.526) 14.883 8.746 ( 0.000 3.243 14.526) 14.883 9.596 ( 0.000 0.209 -9.908) 9.910 9.596 ( 0.000 0.209 9.908) 9.910 9.677 ( -0.000 -1.813 -6.334) 6.588 9.677 ( -0.000 -1.813 6.334) 6.588 10.886 ( -0.000 -0.313 -2.785) 2.803 10.886 ( -0.000 -0.313 2.785) 2.803 10.973 ( 0.000 0.425 -3.814) 3.837 10.973 ( 0.000 0.425 3.814) 3.837 12.629 ( 0.000 0.361 -2.916) 2.938 12.629 ( 0.000 0.361 2.916) 2.938 12.695 ( 0.000 1.968 -5.771) 6.098 12.695 ( 0.000 1.968 5.771) 6.098 13.463 ( 0.000 0.236 -5.626) 5.631 13.463 ( 0.000 0.236 5.626) 5.631 13.750 ( -0.000 -0.985 -11.068) 11.111 13.750 ( -0.000 -0.985 11.068) 11.111 13.830 ( -0.000 -2.008 -1.558) 2.541 13.830 ( -0.000 -2.008 1.558) 2.541 15.191 ( -0.000 -1.117 -20.090) 20.121 15.191 ( -0.000 -1.117 20.090) 20.121 16.755 ( 0.000 0.878 -20.201) 20.220 16.755 ( 0.000 0.878 20.201) 20.220 17.292 ( 0.000 1.906 -21.544) 21.628 17.292 ( 0.000 1.906 21.544) 21.628 18.011 ( 0.000 0.597 -2.476) 2.547 18.011 ( 0.000 0.597 2.476) 2.547 18.394 ( 0.000 0.261 -2.245) 2.261 18.394 ( 0.000 0.261 2.245) 2.261 18.945 ( -0.000 -0.884 -12.453) 12.485 18.945 ( -0.000 -0.884 12.453) 12.485 19.894 ( 0.000 6.677 -12.177) 13.887 19.894 ( 0.000 6.677 12.177) 13.887 20.843 ( 0.000 4.556 -2.680) 5.285 20.843 ( 0.000 4.556 2.680) 5.285 21.130 ( 0.000 0.820 -7.964) 8.006 21.130 ( 0.000 0.820 7.964) 8.006 22.141 ( -0.000 -3.760 -4.966) 6.229 22.141 ( -0.000 -3.760 4.966) 6.229 22.669 ( -0.000 -3.391 -6.762) 7.565 22.669 ( -0.000 -3.391 6.762) 7.565 24.854 ( -0.000 -1.288 -3.529) 3.757 24.854 ( -0.000 -1.288 3.529) 3.757 =================== 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 3/25272 10.0 554.257 809.057 400.981 0.000 0.000 0.000 3/25272 20.0 287.923 248.492 236.866 0.000 0.000 0.000 3/25272 30.0 141.022 118.792 116.428 0.000 0.000 -0.000 3/25272 40.0 87.065 72.376 69.008 0.000 0.000 -0.000 3/25272 50.0 61.335 50.495 47.040 0.000 0.000 -0.000 3/25272 60.0 46.772 38.230 35.103 0.000 0.000 -0.000 3/25272 70.0 37.563 30.547 27.828 0.000 0.000 -0.000 3/25272 80.0 31.272 25.344 23.002 0.000 0.000 -0.000 3/25272 90.0 26.722 21.610 19.586 0.000 0.000 -0.000 3/25272 100.0 23.287 18.808 17.048 0.000 0.000 -0.000 3/25272 110.0 20.607 16.632 15.091 0.000 0.000 -0.000 3/25272 120.0 18.460 14.896 13.536 0.000 0.000 -0.000 3/25272 130.0 16.703 13.479 12.273 0.000 0.000 -0.000 3/25272 140.0 15.242 12.301 11.228 0.000 0.000 -0.000 3/25272 150.0 14.007 11.309 10.348 0.000 0.000 -0.000 3/25272 160.0 12.953 10.461 9.599 0.000 0.000 -0.000 3/25272 170.0 12.042 9.729 8.954 0.000 0.000 -0.000 3/25272 180.0 11.248 9.092 8.392 0.000 0.000 -0.000 3/25272 190.0 10.550 8.531 7.898 0.000 0.000 -0.000 3/25272 200.0 9.933 8.036 7.462 0.000 0.000 -0.000 3/25272 210.0 9.383 7.594 7.073 0.000 0.000 -0.000 3/25272 220.0 8.890 7.199 6.723 0.000 0.000 -0.000 3/25272 230.0 8.446 6.842 6.409 0.000 0.000 -0.000 3/25272 240.0 8.045 6.519 6.123 0.000 0.000 -0.000 3/25272 250.0 7.680 6.226 5.863 0.000 0.000 -0.000 3/25272 260.0 7.347 5.958 5.625 0.000 0.000 -0.000 3/25272 270.0 7.041 5.712 5.406 0.000 0.000 -0.000 3/25272 280.0 6.760 5.486 5.204 0.000 0.000 -0.000 3/25272 290.0 6.501 5.278 5.018 0.000 0.000 -0.000 3/25272 300.0 6.262 5.085 4.844 0.000 0.000 -0.000 3/25272 310.0 6.039 4.906 4.683 0.000 0.000 -0.000 3/25272 320.0 5.832 4.739 4.532 0.000 0.000 -0.000 3/25272 330.0 5.639 4.583 4.391 0.000 0.000 -0.000 3/25272 340.0 5.459 4.437 4.259 0.000 0.000 -0.000 3/25272 350.0 5.289 4.301 4.135 0.000 0.000 -0.000 3/25272 360.0 5.131 4.173 4.018 0.000 0.000 -0.000 3/25272 370.0 4.981 4.052 3.908 0.000 0.000 -0.000 3/25272 380.0 4.840 3.938 3.803 0.000 0.000 -0.000 3/25272 390.0 4.707 3.831 3.705 0.000 0.000 -0.000 3/25272 400.0 4.582 3.729 3.611 0.000 0.000 -0.000 3/25272 410.0 4.463 3.633 3.522 0.000 0.000 -0.000 3/25272 420.0 4.350 3.542 3.437 0.000 0.000 -0.000 3/25272 430.0 4.242 3.455 3.357 0.000 0.000 -0.000 3/25272 440.0 4.140 3.372 3.280 0.000 0.000 -0.000 3/25272 450.0 4.043 3.294 3.206 0.000 0.000 -0.000 3/25272 460.0 3.951 3.219 3.136 0.000 0.000 -0.000 3/25272 470.0 3.862 3.147 3.069 0.000 0.000 -0.000 3/25272 480.0 3.778 3.079 3.005 0.000 0.000 -0.000 3/25272 490.0 3.697 3.013 2.944 0.000 0.000 -0.000 3/25272 500.0 3.619 2.951 2.885 0.000 0.000 -0.000 3/25272 510.0 3.545 2.890 2.828 0.000 0.000 -0.000 3/25272 520.0 3.474 2.833 2.773 0.000 0.000 -0.000 3/25272 530.0 3.406 2.777 2.721 0.000 0.000 -0.000 3/25272 540.0 3.340 2.724 2.670 0.000 0.000 -0.000 3/25272 550.0 3.277 2.673 2.622 0.000 0.000 -0.000 3/25272 560.0 3.216 2.624 2.575 0.000 0.000 -0.000 3/25272 570.0 3.158 2.576 2.530 0.000 0.000 -0.000 3/25272 580.0 3.102 2.530 2.486 0.000 0.000 -0.000 3/25272 590.0 3.047 2.486 2.444 0.000 0.000 -0.000 3/25272 600.0 2.995 2.444 2.403 0.000 0.000 -0.000 3/25272 610.0 2.944 2.402 2.364 0.000 0.000 -0.000 3/25272 620.0 2.895 2.363 2.326 0.000 0.000 -0.000 3/25272 630.0 2.848 2.324 2.289 0.000 0.000 -0.000 3/25272 640.0 2.802 2.287 2.253 0.000 0.000 -0.000 3/25272 650.0 2.758 2.251 2.219 0.000 0.000 -0.000 3/25272 660.0 2.715 2.216 2.185 0.000 0.000 -0.000 3/25272 670.0 2.673 2.182 2.152 0.000 0.000 -0.000 3/25272 680.0 2.633 2.149 2.121 0.000 0.000 -0.000 3/25272 690.0 2.594 2.117 2.090 0.000 0.000 -0.000 3/25272 700.0 2.556 2.086 2.060 0.000 0.000 -0.000 3/25272 710.0 2.519 2.056 2.031 0.000 0.000 -0.000 3/25272 720.0 2.483 2.027 2.003 0.000 0.000 -0.000 3/25272 730.0 2.448 1.999 1.976 0.000 0.000 -0.000 3/25272 740.0 2.414 1.972 1.949 0.000 0.000 -0.000 3/25272 750.0 2.381 1.945 1.923 0.000 0.000 -0.000 3/25272 760.0 2.349 1.919 1.898 0.000 0.000 -0.000 3/25272 770.0 2.318 1.893 1.873 0.000 0.000 -0.000 3/25272 780.0 2.288 1.869 1.849 0.000 0.000 -0.000 3/25272 790.0 2.258 1.845 1.826 0.000 0.000 -0.000 3/25272 800.0 2.230 1.821 1.803 0.000 0.000 -0.000 3/25272 810.0 2.202 1.798 1.781 0.000 0.000 -0.000 3/25272 820.0 2.174 1.776 1.759 0.000 0.000 -0.000 3/25272 830.0 2.148 1.754 1.738 0.000 0.000 -0.000 3/25272 840.0 2.122 1.733 1.717 0.000 0.000 -0.000 3/25272 850.0 2.096 1.712 1.697 0.000 0.000 -0.000 3/25272 860.0 2.071 1.692 1.678 0.000 0.000 -0.000 3/25272 870.0 2.047 1.673 1.658 0.000 0.000 -0.000 3/25272 880.0 2.024 1.653 1.640 0.000 0.000 -0.000 3/25272 890.0 2.001 1.634 1.621 0.000 0.000 -0.000 3/25272 900.0 1.978 1.616 1.603 0.000 0.000 -0.000 3/25272 910.0 1.956 1.598 1.586 0.000 0.000 -0.000 3/25272 920.0 1.934 1.580 1.568 0.000 0.000 -0.000 3/25272 930.0 1.913 1.563 1.552 0.000 0.000 -0.000 3/25272 940.0 1.893 1.546 1.535 0.000 0.000 -0.000 3/25272 950.0 1.872 1.530 1.519 0.000 0.000 -0.000 3/25272 960.0 1.853 1.514 1.503 0.000 0.000 -0.000 3/25272 970.0 1.833 1.498 1.488 0.000 0.000 -0.000 3/25272 980.0 1.814 1.483 1.473 0.000 0.000 -0.000 3/25272 990.0 1.796 1.468 1.458 0.000 0.000 -0.000 3/25272 1000.0 1.778 1.453 1.443 0.000 0.000 -0.000 3/25272 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:15:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|