----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:25:03]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.730921580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.730921580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.186866230000000 Atomic positions (fractional): *1 O 0.70261908990769 0.70261908990769 0.67590397379479 15.999 2 O 0.29738091009230 0.29738091009230 0.67590397379479 15.999 3 O 0.70261908990769 0.70261908990769 0.32409602620521 15.999 4 O 0.20261908990770 0.79738091009231 0.17590397379479 15.999 5 O 0.79738091009231 0.20261908990770 0.17590397379479 15.999 6 O 0.79738091009231 0.20261908990770 0.82409602620521 15.999 *7 O 0.31026663865535 0.31026663865535 0.00000000000000 15.999 8 O 0.18973336134465 0.81026663865535 0.50000000000000 15.999 9 O 0.81026663865535 0.18973336134465 0.50000000000000 15.999 10 O 0.68973336134465 0.68973336134465 0.00000000000000 15.999 11 O 0.29738091009230 0.29738091009230 0.32409602620521 15.999 12 O 0.20261908990770 0.79738091009231 0.82409602620521 15.999 *13 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 14 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *15 Ta 0.50000000000000 0.50000000000000 0.83223057200768 180.948 16 Ta 0.00000000000000 0.00000000000000 0.33223057200768 180.948 17 Ta 0.50000000000000 0.50000000000000 0.16776942799232 180.948 18 Ta 0.00000000000000 0.00000000000000 0.66776942799232 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.730921580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.730921580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.186866230000000 Atomic positions (fractional): *1 O 0.70261908990769 0.70261908990769 0.67590397379479 15.999 > 1 2 O 0.29738091009230 0.29738091009230 0.67590397379479 15.999 > 2 3 O 0.70261908990769 0.70261908990769 0.32409602620521 15.999 > 3 4 O 0.20261908990770 0.79738091009231 0.17590397379479 15.999 > 4 5 O 0.79738091009231 0.20261908990770 0.17590397379479 15.999 > 5 6 O 0.79738091009231 0.20261908990770 0.82409602620521 15.999 > 6 *7 O 0.31026663865535 0.31026663865535 0.00000000000000 15.999 > 7 8 O 0.18973336134465 0.81026663865535 0.50000000000000 15.999 > 8 9 O 0.81026663865535 0.18973336134465 0.50000000000000 15.999 > 9 10 O 0.68973336134465 0.68973336134465 0.00000000000000 15.999 > 10 11 O 0.29738091009230 0.29738091009230 0.32409602620521 15.999 > 11 12 O 0.20261908990770 0.79738091009231 0.82409602620521 15.999 > 12 *13 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 13 14 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 14 *15 Ta 0.50000000000000 0.50000000000000 0.83223057200768 180.948 > 15 16 Ta 0.00000000000000 0.00000000000000 0.33223057200768 180.948 > 16 17 Ta 0.50000000000000 0.50000000000000 0.16776942799232 180.948 > 17 18 Ta 0.00000000000000 0.00000000000000 0.66776942799232 180.948 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.461843160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.461843160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 18.373732459999999 Atomic positions (fractional): *1 O 0.35130954495385 0.35130954495385 0.33795198689739 15.999 > 1 2 O 0.85130954495385 0.35130954495385 0.33795198689739 15.999 > 1 3 O 0.35130954495385 0.85130954495385 0.33795198689739 15.999 > 1 4 O 0.85130954495385 0.85130954495385 0.33795198689739 15.999 > 1 5 O 0.35130954495385 0.35130954495385 0.83795198689739 15.999 > 1 6 O 0.85130954495385 0.35130954495385 0.83795198689739 15.999 > 1 7 O 0.35130954495385 0.85130954495385 0.83795198689739 15.999 > 1 8 O 0.85130954495385 0.85130954495385 0.83795198689739 15.999 > 1 9 O 0.14869045504615 0.14869045504615 0.33795198689739 15.999 > 2 10 O 0.64869045504615 0.14869045504615 0.33795198689739 15.999 > 2 11 O 0.14869045504615 0.64869045504615 0.33795198689739 15.999 > 2 12 O 0.64869045504615 0.64869045504615 0.33795198689739 15.999 > 2 13 O 0.14869045504615 0.14869045504615 0.83795198689739 15.999 > 2 14 O 0.64869045504615 0.14869045504615 0.83795198689739 15.999 > 2 15 O 0.14869045504615 0.64869045504615 0.83795198689739 15.999 > 2 16 O 0.64869045504615 0.64869045504615 0.83795198689739 15.999 > 2 17 O 0.35130954495385 0.35130954495385 0.16204801310261 15.999 > 3 18 O 0.85130954495385 0.35130954495385 0.16204801310261 15.999 > 3 19 O 0.35130954495385 0.85130954495385 0.16204801310261 15.999 > 3 20 O 0.85130954495385 0.85130954495385 0.16204801310261 15.999 > 3 21 O 0.35130954495385 0.35130954495385 0.66204801310261 15.999 > 3 22 O 0.85130954495385 0.35130954495385 0.66204801310261 15.999 > 3 23 O 0.35130954495385 0.85130954495385 0.66204801310261 15.999 > 3 24 O 0.85130954495385 0.85130954495385 0.66204801310261 15.999 > 3 25 O 0.10130954495385 0.39869045504615 0.08795198689739 15.999 > 4 26 O 0.60130954495385 0.39869045504615 0.08795198689739 15.999 > 4 27 O 0.10130954495385 0.89869045504615 0.08795198689739 15.999 > 4 28 O 0.60130954495385 0.89869045504615 0.08795198689739 15.999 > 4 29 O 0.10130954495385 0.39869045504615 0.58795198689739 15.999 > 4 30 O 0.60130954495385 0.39869045504615 0.58795198689739 15.999 > 4 31 O 0.10130954495385 0.89869045504615 0.58795198689739 15.999 > 4 32 O 0.60130954495385 0.89869045504615 0.58795198689739 15.999 > 4 33 O 0.39869045504615 0.10130954495385 0.08795198689739 15.999 > 5 34 O 0.89869045504615 0.10130954495385 0.08795198689739 15.999 > 5 35 O 0.39869045504615 0.60130954495385 0.08795198689739 15.999 > 5 36 O 0.89869045504615 0.60130954495385 0.08795198689739 15.999 > 5 37 O 0.39869045504615 0.10130954495385 0.58795198689739 15.999 > 5 38 O 0.89869045504615 0.10130954495385 0.58795198689739 15.999 > 5 39 O 0.39869045504615 0.60130954495385 0.58795198689739 15.999 > 5 40 O 0.89869045504615 0.60130954495385 0.58795198689739 15.999 > 5 41 O 0.39869045504615 0.10130954495385 0.41204801310261 15.999 > 6 42 O 0.89869045504615 0.10130954495385 0.41204801310261 15.999 > 6 43 O 0.39869045504615 0.60130954495385 0.41204801310261 15.999 > 6 44 O 0.89869045504615 0.60130954495385 0.41204801310261 15.999 > 6 45 O 0.39869045504615 0.10130954495385 0.91204801310261 15.999 > 6 46 O 0.89869045504615 0.10130954495385 0.91204801310261 15.999 > 6 47 O 0.39869045504615 0.60130954495385 0.91204801310261 15.999 > 6 48 O 0.89869045504615 0.60130954495385 0.91204801310261 15.999 > 6 *49 O 0.15513331932767 0.15513331932767 0.00000000000000 15.999 > 7 50 O 0.65513331932767 0.15513331932767 0.00000000000000 15.999 > 7 51 O 0.15513331932767 0.65513331932767 0.00000000000000 15.999 > 7 52 O 0.65513331932767 0.65513331932767 0.00000000000000 15.999 > 7 53 O 0.15513331932767 0.15513331932767 0.50000000000000 15.999 > 7 54 O 0.65513331932767 0.15513331932767 0.50000000000000 15.999 > 7 55 O 0.15513331932767 0.65513331932767 0.50000000000000 15.999 > 7 56 O 0.65513331932767 0.65513331932767 0.50000000000000 15.999 > 7 57 O 0.09486668067233 0.40513331932767 0.25000000000000 15.999 > 8 58 O 0.59486668067233 0.40513331932767 0.25000000000000 15.999 > 8 59 O 0.09486668067233 0.90513331932767 0.25000000000000 15.999 > 8 60 O 0.59486668067233 0.90513331932767 0.25000000000000 15.999 > 8 61 O 0.09486668067233 0.40513331932767 0.75000000000000 15.999 > 8 62 O 0.59486668067233 0.40513331932767 0.75000000000000 15.999 > 8 63 O 0.09486668067233 0.90513331932767 0.75000000000000 15.999 > 8 64 O 0.59486668067233 0.90513331932767 0.75000000000000 15.999 > 8 65 O 0.40513331932767 0.09486668067233 0.25000000000000 15.999 > 9 66 O 0.90513331932767 0.09486668067233 0.25000000000000 15.999 > 9 67 O 0.40513331932767 0.59486668067233 0.25000000000000 15.999 > 9 68 O 0.90513331932767 0.59486668067233 0.25000000000000 15.999 > 9 69 O 0.40513331932767 0.09486668067233 0.75000000000000 15.999 > 9 70 O 0.90513331932767 0.09486668067233 0.75000000000000 15.999 > 9 71 O 0.40513331932767 0.59486668067233 0.75000000000000 15.999 > 9 72 O 0.90513331932767 0.59486668067233 0.75000000000000 15.999 > 9 73 O 0.34486668067233 0.34486668067233 0.00000000000000 15.999 > 10 74 O 0.84486668067233 0.34486668067233 0.00000000000000 15.999 > 10 75 O 0.34486668067233 0.84486668067233 0.00000000000000 15.999 > 10 76 O 0.84486668067233 0.84486668067233 0.00000000000000 15.999 > 10 77 O 0.34486668067233 0.34486668067233 0.50000000000000 15.999 > 10 78 O 0.84486668067233 0.34486668067233 0.50000000000000 15.999 > 10 79 O 0.34486668067233 0.84486668067233 0.50000000000000 15.999 > 10 80 O 0.84486668067233 0.84486668067233 0.50000000000000 15.999 > 10 81 O 0.14869045504615 0.14869045504615 0.16204801310261 15.999 > 11 82 O 0.64869045504615 0.14869045504615 0.16204801310261 15.999 > 11 83 O 0.14869045504615 0.64869045504615 0.16204801310261 15.999 > 11 84 O 0.64869045504615 0.64869045504615 0.16204801310261 15.999 > 11 85 O 0.14869045504615 0.14869045504615 0.66204801310261 15.999 > 11 86 O 0.64869045504615 0.14869045504615 0.66204801310261 15.999 > 11 87 O 0.14869045504615 0.64869045504615 0.66204801310261 15.999 > 11 88 O 0.64869045504615 0.64869045504615 0.66204801310261 15.999 > 11 89 O 0.10130954495385 0.39869045504615 0.41204801310261 15.999 > 12 90 O 0.60130954495385 0.39869045504615 0.41204801310261 15.999 > 12 91 O 0.10130954495385 0.89869045504615 0.41204801310261 15.999 > 12 92 O 0.60130954495385 0.89869045504615 0.41204801310261 15.999 > 12 93 O 0.10130954495385 0.39869045504615 0.91204801310261 15.999 > 12 94 O 0.60130954495385 0.39869045504615 0.91204801310261 15.999 > 12 95 O 0.10130954495385 0.89869045504615 0.91204801310261 15.999 > 12 96 O 0.60130954495385 0.89869045504615 0.91204801310261 15.999 > 12 *97 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 13 98 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 13 99 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 13 100 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 13 101 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 13 102 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 13 103 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 13 104 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 13 105 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 14 106 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 14 107 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 14 108 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 14 109 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 14 110 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 14 111 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 14 112 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 14 *113 Ta 0.25000000000000 0.25000000000000 0.41611528600384 180.948 > 15 114 Ta 0.75000000000000 0.25000000000000 0.41611528600384 180.948 > 15 115 Ta 0.25000000000000 0.75000000000000 0.41611528600384 180.948 > 15 116 Ta 0.75000000000000 0.75000000000000 0.41611528600384 180.948 > 15 117 Ta 0.25000000000000 0.25000000000000 0.91611528600384 180.948 > 15 118 Ta 0.75000000000000 0.25000000000000 0.91611528600384 180.948 > 15 119 Ta 0.25000000000000 0.75000000000000 0.91611528600384 180.948 > 15 120 Ta 0.75000000000000 0.75000000000000 0.91611528600384 180.948 > 15 121 Ta 0.00000000000000 0.00000000000000 0.16611528600384 180.948 > 16 122 Ta 0.50000000000000 0.00000000000000 0.16611528600384 180.948 > 16 123 Ta 0.00000000000000 0.50000000000000 0.16611528600384 180.948 > 16 124 Ta 0.50000000000000 0.50000000000000 0.16611528600384 180.948 > 16 125 Ta 0.00000000000000 0.00000000000000 0.66611528600384 180.948 > 16 126 Ta 0.50000000000000 0.00000000000000 0.66611528600384 180.948 > 16 127 Ta 0.00000000000000 0.50000000000000 0.66611528600384 180.948 > 16 128 Ta 0.50000000000000 0.50000000000000 0.66611528600384 180.948 > 16 129 Ta 0.25000000000000 0.25000000000000 0.08388471399616 180.948 > 17 130 Ta 0.75000000000000 0.25000000000000 0.08388471399616 180.948 > 17 131 Ta 0.25000000000000 0.75000000000000 0.08388471399616 180.948 > 17 132 Ta 0.75000000000000 0.75000000000000 0.08388471399616 180.948 > 17 133 Ta 0.25000000000000 0.25000000000000 0.58388471399616 180.948 > 17 134 Ta 0.75000000000000 0.25000000000000 0.58388471399616 180.948 > 17 135 Ta 0.25000000000000 0.75000000000000 0.58388471399616 180.948 > 17 136 Ta 0.75000000000000 0.75000000000000 0.58388471399616 180.948 > 17 137 Ta 0.00000000000000 0.00000000000000 0.33388471399616 180.948 > 18 138 Ta 0.50000000000000 0.00000000000000 0.33388471399616 180.948 > 18 139 Ta 0.00000000000000 0.50000000000000 0.33388471399616 180.948 > 18 140 Ta 0.50000000000000 0.50000000000000 0.33388471399616 180.948 > 18 141 Ta 0.00000000000000 0.00000000000000 0.83388471399616 180.948 > 18 142 Ta 0.50000000000000 0.00000000000000 0.83388471399616 180.948 > 18 143 Ta 0.00000000000000 0.50000000000000 0.83388471399616 180.948 > 18 144 Ta 0.50000000000000 0.50000000000000 0.83388471399616 180.948 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0362241 0.0000000 0.0000000 0.0000000 5.0362241 0.0000000 0.0000000 0.0000000 5.5053640 -------------------------- Born effective charges -------------------------- 1 O -3.1089119 -1.7767561 0.9893953 -1.7767561 -3.1089119 0.9893953 0.8419226 0.8419226 -2.4567151 2 O -3.1089119 -1.7767561 -0.9893953 -1.7767561 -3.1089119 -0.9893953 -0.8419226 -0.8419226 -2.4567151 3 O -3.1089119 -1.7767561 -0.9893953 -1.7767561 -3.1089119 -0.9893953 -0.8419226 -0.8419226 -2.4567151 4 O -3.1089119 1.7767561 0.9893953 1.7767561 -3.1089119 -0.9893953 0.8419226 -0.8419226 -2.4567151 5 O -3.1089119 1.7767561 -0.9893953 1.7767561 -3.1089119 0.9893953 -0.8419226 0.8419226 -2.4567151 6 O -3.1089119 1.7767561 0.9893953 1.7767561 -3.1089119 -0.9893953 0.8419226 -0.8419226 -2.4567151 7 O -1.8301400 -0.5701871 0.0000000 -0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 8 O -1.8301400 0.5701871 0.0000000 0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 9 O -1.8301400 0.5701871 0.0000000 0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 10 O -1.8301400 -0.5701871 0.0000000 -0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 11 O -3.1089119 -1.7767561 0.9893953 -1.7767561 -3.1089119 0.9893953 0.8419226 0.8419226 -2.4567151 12 O -3.1089119 1.7767561 -0.9893953 1.7767561 -3.1089119 0.9893953 -0.8419226 0.8419226 -2.4567151 13 Mg 2.3210533 0.2469338 0.0000000 0.2469338 2.3210533 0.0000000 0.0000000 0.0000000 2.5164029 14 Mg 2.3210533 -0.2469338 0.0000000 -0.2469338 2.3210533 0.0000000 0.0000000 0.0000000 2.5164029 15 Ta 6.8874373 -0.7877630 0.0000000 -0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 16 Ta 6.8874373 0.7877630 0.0000000 0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 17 Ta 6.8874373 -0.7877630 0.0000000 -0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 18 Ta 6.8874373 0.7877630 0.0000000 0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 160 - Time: 1.055 Solver_block: 160 / 160 - Time: 0.697 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.773 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 862 Number of blocks in projector: 862 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 290 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 217 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 199 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 156 Use standard eigh solver. Tree of FC basis block matrices: - (862, 848), data: False |-- (156, 152), data: True |-- (199, 195), data: True |-- (217, 213), data: True |-- (290, 288), 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 2026-01-07 23:25:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.730921580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.730921580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.186866230000000 Atomic positions (fractional): 1 O 0.70261908990769 0.70261908990769 0.67590397379479 15.999 2 O 0.29738091009230 0.29738091009230 0.67590397379479 15.999 3 O 0.70261908990769 0.70261908990769 0.32409602620521 15.999 4 O 0.20261908990770 0.79738091009231 0.17590397379479 15.999 5 O 0.79738091009231 0.20261908990770 0.17590397379479 15.999 6 O 0.79738091009231 0.20261908990770 0.82409602620521 15.999 7 O 0.31026663865535 0.31026663865535 0.00000000000000 15.999 8 O 0.18973336134465 0.81026663865535 0.50000000000000 15.999 9 O 0.81026663865535 0.18973336134465 0.50000000000000 15.999 10 O 0.68973336134465 0.68973336134465 0.00000000000000 15.999 11 O 0.29738091009230 0.29738091009230 0.32409602620521 15.999 12 O 0.20261908990770 0.79738091009231 0.82409602620521 15.999 13 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 14 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 15 Ta 0.50000000000000 0.50000000000000 0.83223057200768 180.948 16 Ta 0.00000000000000 0.00000000000000 0.33223057200768 180.948 17 Ta 0.50000000000000 0.50000000000000 0.16776942799232 180.948 18 Ta 0.00000000000000 0.00000000000000 0.66776942799232 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.461843160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.461843160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 18.373732459999999 Atomic positions (fractional): 1 O 0.35130954495385 0.35130954495385 0.33795198689739 15.999 > 1 2 O 0.85130954495385 0.35130954495385 0.33795198689739 15.999 > 1 3 O 0.35130954495385 0.85130954495385 0.33795198689739 15.999 > 1 4 O 0.85130954495385 0.85130954495385 0.33795198689739 15.999 > 1 5 O 0.35130954495385 0.35130954495385 0.83795198689739 15.999 > 1 6 O 0.85130954495385 0.35130954495385 0.83795198689739 15.999 > 1 7 O 0.35130954495385 0.85130954495385 0.83795198689739 15.999 > 1 8 O 0.85130954495385 0.85130954495385 0.83795198689739 15.999 > 1 9 O 0.14869045504615 0.14869045504615 0.33795198689739 15.999 > 9 10 O 0.64869045504615 0.14869045504615 0.33795198689739 15.999 > 9 11 O 0.14869045504615 0.64869045504615 0.33795198689739 15.999 > 9 12 O 0.64869045504615 0.64869045504615 0.33795198689739 15.999 > 9 13 O 0.14869045504615 0.14869045504615 0.83795198689739 15.999 > 9 14 O 0.64869045504615 0.14869045504615 0.83795198689739 15.999 > 9 15 O 0.14869045504615 0.64869045504615 0.83795198689739 15.999 > 9 16 O 0.64869045504615 0.64869045504615 0.83795198689739 15.999 > 9 17 O 0.35130954495385 0.35130954495385 0.16204801310261 15.999 > 17 18 O 0.85130954495385 0.35130954495385 0.16204801310261 15.999 > 17 19 O 0.35130954495385 0.85130954495385 0.16204801310261 15.999 > 17 20 O 0.85130954495385 0.85130954495385 0.16204801310261 15.999 > 17 21 O 0.35130954495385 0.35130954495385 0.66204801310261 15.999 > 17 22 O 0.85130954495385 0.35130954495385 0.66204801310261 15.999 > 17 23 O 0.35130954495385 0.85130954495385 0.66204801310261 15.999 > 17 24 O 0.85130954495385 0.85130954495385 0.66204801310261 15.999 > 17 25 O 0.10130954495385 0.39869045504615 0.08795198689739 15.999 > 25 26 O 0.60130954495385 0.39869045504615 0.08795198689739 15.999 > 25 27 O 0.10130954495385 0.89869045504615 0.08795198689739 15.999 > 25 28 O 0.60130954495385 0.89869045504615 0.08795198689739 15.999 > 25 29 O 0.10130954495385 0.39869045504615 0.58795198689739 15.999 > 25 30 O 0.60130954495385 0.39869045504615 0.58795198689739 15.999 > 25 31 O 0.10130954495385 0.89869045504615 0.58795198689739 15.999 > 25 32 O 0.60130954495385 0.89869045504615 0.58795198689739 15.999 > 25 33 O 0.39869045504615 0.10130954495385 0.08795198689739 15.999 > 33 34 O 0.89869045504615 0.10130954495385 0.08795198689739 15.999 > 33 35 O 0.39869045504615 0.60130954495385 0.08795198689739 15.999 > 33 36 O 0.89869045504615 0.60130954495385 0.08795198689739 15.999 > 33 37 O 0.39869045504615 0.10130954495385 0.58795198689739 15.999 > 33 38 O 0.89869045504615 0.10130954495385 0.58795198689739 15.999 > 33 39 O 0.39869045504615 0.60130954495385 0.58795198689739 15.999 > 33 40 O 0.89869045504615 0.60130954495385 0.58795198689739 15.999 > 33 41 O 0.39869045504615 0.10130954495385 0.41204801310261 15.999 > 41 42 O 0.89869045504615 0.10130954495385 0.41204801310261 15.999 > 41 43 O 0.39869045504615 0.60130954495385 0.41204801310261 15.999 > 41 44 O 0.89869045504615 0.60130954495385 0.41204801310261 15.999 > 41 45 O 0.39869045504615 0.10130954495385 0.91204801310261 15.999 > 41 46 O 0.89869045504615 0.10130954495385 0.91204801310261 15.999 > 41 47 O 0.39869045504615 0.60130954495385 0.91204801310261 15.999 > 41 48 O 0.89869045504615 0.60130954495385 0.91204801310261 15.999 > 41 49 O 0.15513331932767 0.15513331932767 0.00000000000000 15.999 > 49 50 O 0.65513331932767 0.15513331932767 0.00000000000000 15.999 > 49 51 O 0.15513331932767 0.65513331932767 0.00000000000000 15.999 > 49 52 O 0.65513331932767 0.65513331932767 0.00000000000000 15.999 > 49 53 O 0.15513331932767 0.15513331932767 0.50000000000000 15.999 > 49 54 O 0.65513331932767 0.15513331932767 0.50000000000000 15.999 > 49 55 O 0.15513331932767 0.65513331932767 0.50000000000000 15.999 > 49 56 O 0.65513331932767 0.65513331932767 0.50000000000000 15.999 > 49 57 O 0.09486668067233 0.40513331932767 0.25000000000000 15.999 > 57 58 O 0.59486668067233 0.40513331932767 0.25000000000000 15.999 > 57 59 O 0.09486668067233 0.90513331932767 0.25000000000000 15.999 > 57 60 O 0.59486668067233 0.90513331932767 0.25000000000000 15.999 > 57 61 O 0.09486668067233 0.40513331932767 0.75000000000000 15.999 > 57 62 O 0.59486668067233 0.40513331932767 0.75000000000000 15.999 > 57 63 O 0.09486668067233 0.90513331932767 0.75000000000000 15.999 > 57 64 O 0.59486668067233 0.90513331932767 0.75000000000000 15.999 > 57 65 O 0.40513331932767 0.09486668067233 0.25000000000000 15.999 > 65 66 O 0.90513331932767 0.09486668067233 0.25000000000000 15.999 > 65 67 O 0.40513331932767 0.59486668067233 0.25000000000000 15.999 > 65 68 O 0.90513331932767 0.59486668067233 0.25000000000000 15.999 > 65 69 O 0.40513331932767 0.09486668067233 0.75000000000000 15.999 > 65 70 O 0.90513331932767 0.09486668067233 0.75000000000000 15.999 > 65 71 O 0.40513331932767 0.59486668067233 0.75000000000000 15.999 > 65 72 O 0.90513331932767 0.59486668067233 0.75000000000000 15.999 > 65 73 O 0.34486668067233 0.34486668067233 0.00000000000000 15.999 > 73 74 O 0.84486668067233 0.34486668067233 0.00000000000000 15.999 > 73 75 O 0.34486668067233 0.84486668067233 0.00000000000000 15.999 > 73 76 O 0.84486668067233 0.84486668067233 0.00000000000000 15.999 > 73 77 O 0.34486668067233 0.34486668067233 0.50000000000000 15.999 > 73 78 O 0.84486668067233 0.34486668067233 0.50000000000000 15.999 > 73 79 O 0.34486668067233 0.84486668067233 0.50000000000000 15.999 > 73 80 O 0.84486668067233 0.84486668067233 0.50000000000000 15.999 > 73 81 O 0.14869045504615 0.14869045504615 0.16204801310261 15.999 > 81 82 O 0.64869045504615 0.14869045504615 0.16204801310261 15.999 > 81 83 O 0.14869045504615 0.64869045504615 0.16204801310261 15.999 > 81 84 O 0.64869045504615 0.64869045504615 0.16204801310261 15.999 > 81 85 O 0.14869045504615 0.14869045504615 0.66204801310261 15.999 > 81 86 O 0.64869045504615 0.14869045504615 0.66204801310261 15.999 > 81 87 O 0.14869045504615 0.64869045504615 0.66204801310261 15.999 > 81 88 O 0.64869045504615 0.64869045504615 0.66204801310261 15.999 > 81 89 O 0.10130954495385 0.39869045504615 0.41204801310261 15.999 > 89 90 O 0.60130954495385 0.39869045504615 0.41204801310261 15.999 > 89 91 O 0.10130954495385 0.89869045504615 0.41204801310261 15.999 > 89 92 O 0.60130954495385 0.89869045504615 0.41204801310261 15.999 > 89 93 O 0.10130954495385 0.39869045504615 0.91204801310261 15.999 > 89 94 O 0.60130954495385 0.39869045504615 0.91204801310261 15.999 > 89 95 O 0.10130954495385 0.89869045504615 0.91204801310261 15.999 > 89 96 O 0.60130954495385 0.89869045504615 0.91204801310261 15.999 > 89 97 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 97 98 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 97 99 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 97 100 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 97 101 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 97 102 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 97 103 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 97 104 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 97 105 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 105 106 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 105 107 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 105 108 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 105 109 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 105 110 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 105 111 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 105 112 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 105 113 Ta 0.25000000000000 0.25000000000000 0.41611528600384 180.948 > 113 114 Ta 0.75000000000000 0.25000000000000 0.41611528600384 180.948 > 113 115 Ta 0.25000000000000 0.75000000000000 0.41611528600384 180.948 > 113 116 Ta 0.75000000000000 0.75000000000000 0.41611528600384 180.948 > 113 117 Ta 0.25000000000000 0.25000000000000 0.91611528600384 180.948 > 113 118 Ta 0.75000000000000 0.25000000000000 0.91611528600384 180.948 > 113 119 Ta 0.25000000000000 0.75000000000000 0.91611528600384 180.948 > 113 120 Ta 0.75000000000000 0.75000000000000 0.91611528600384 180.948 > 113 121 Ta 0.00000000000000 0.00000000000000 0.16611528600384 180.948 > 121 122 Ta 0.50000000000000 0.00000000000000 0.16611528600384 180.948 > 121 123 Ta 0.00000000000000 0.50000000000000 0.16611528600384 180.948 > 121 124 Ta 0.50000000000000 0.50000000000000 0.16611528600384 180.948 > 121 125 Ta 0.00000000000000 0.00000000000000 0.66611528600384 180.948 > 121 126 Ta 0.50000000000000 0.00000000000000 0.66611528600384 180.948 > 121 127 Ta 0.00000000000000 0.50000000000000 0.66611528600384 180.948 > 121 128 Ta 0.50000000000000 0.50000000000000 0.66611528600384 180.948 > 121 129 Ta 0.25000000000000 0.25000000000000 0.08388471399616 180.948 > 129 130 Ta 0.75000000000000 0.25000000000000 0.08388471399616 180.948 > 129 131 Ta 0.25000000000000 0.75000000000000 0.08388471399616 180.948 > 129 132 Ta 0.75000000000000 0.75000000000000 0.08388471399616 180.948 > 129 133 Ta 0.25000000000000 0.25000000000000 0.58388471399616 180.948 > 129 134 Ta 0.75000000000000 0.25000000000000 0.58388471399616 180.948 > 129 135 Ta 0.25000000000000 0.75000000000000 0.58388471399616 180.948 > 129 136 Ta 0.75000000000000 0.75000000000000 0.58388471399616 180.948 > 129 137 Ta 0.00000000000000 0.00000000000000 0.33388471399616 180.948 > 137 138 Ta 0.50000000000000 0.00000000000000 0.33388471399616 180.948 > 137 139 Ta 0.00000000000000 0.50000000000000 0.33388471399616 180.948 > 137 140 Ta 0.50000000000000 0.50000000000000 0.33388471399616 180.948 > 137 141 Ta 0.00000000000000 0.00000000000000 0.83388471399616 180.948 > 137 142 Ta 0.50000000000000 0.00000000000000 0.83388471399616 180.948 > 137 143 Ta 0.00000000000000 0.50000000000000 0.83388471399616 180.948 > 137 144 Ta 0.50000000000000 0.50000000000000 0.83388471399616 180.948 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0362241 0.0000000 0.0000000 0.0000000 5.0362241 0.0000000 0.0000000 0.0000000 5.5053640 -------------------------- Born effective charges -------------------------- 1 O -3.1089119 -1.7767561 0.9893953 -1.7767561 -3.1089119 0.9893953 0.8419226 0.8419226 -2.4567151 2 O -3.1089119 -1.7767561 -0.9893953 -1.7767561 -3.1089119 -0.9893953 -0.8419226 -0.8419226 -2.4567151 3 O -3.1089119 -1.7767561 -0.9893953 -1.7767561 -3.1089119 -0.9893953 -0.8419226 -0.8419226 -2.4567151 4 O -3.1089119 1.7767561 0.9893953 1.7767561 -3.1089119 -0.9893953 0.8419226 -0.8419226 -2.4567151 5 O -3.1089119 1.7767561 -0.9893953 1.7767561 -3.1089119 0.9893953 -0.8419226 0.8419226 -2.4567151 6 O -3.1089119 1.7767561 0.9893953 1.7767561 -3.1089119 -0.9893953 0.8419226 -0.8419226 -2.4567151 7 O -1.8301400 -0.5701871 0.0000000 -0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 8 O -1.8301400 0.5701871 0.0000000 0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 9 O -1.8301400 0.5701871 0.0000000 0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 10 O -1.8301400 -0.5701871 0.0000000 -0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 11 O -3.1089119 -1.7767561 0.9893953 -1.7767561 -3.1089119 0.9893953 0.8419226 0.8419226 -2.4567151 12 O -3.1089119 1.7767561 -0.9893953 1.7767561 -3.1089119 0.9893953 -0.8419226 0.8419226 -2.4567151 13 Mg 2.3210533 0.2469338 0.0000000 0.2469338 2.3210533 0.0000000 0.0000000 0.0000000 2.5164029 14 Mg 2.3210533 -0.2469338 0.0000000 -0.2469338 2.3210533 0.0000000 0.0000000 0.0000000 2.5164029 15 Ta 6.8874373 -0.7877630 0.0000000 -0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 16 Ta 6.8874373 0.7877630 0.0000000 0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 17 Ta 6.8874373 -0.7877630 0.0000000 -0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 18 Ta 6.8874373 0.7877630 0.0000000 0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000023 (zxx) -0.00000023 (zxx) -0.00000023 (zxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zy) 0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:25:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:31]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.730921580000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.730921580000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.186866230000000 Atomic positions (fractional): 1 O 0.70261908990769 0.70261908990769 0.67590397379479 15.999 2 O 0.29738091009230 0.29738091009230 0.67590397379479 15.999 3 O 0.70261908990769 0.70261908990769 0.32409602620521 15.999 4 O 0.20261908990770 0.79738091009231 0.17590397379479 15.999 5 O 0.79738091009231 0.20261908990770 0.17590397379479 15.999 6 O 0.79738091009231 0.20261908990770 0.82409602620521 15.999 7 O 0.31026663865535 0.31026663865535 0.00000000000000 15.999 8 O 0.18973336134465 0.81026663865535 0.50000000000000 15.999 9 O 0.81026663865535 0.18973336134465 0.50000000000000 15.999 10 O 0.68973336134465 0.68973336134465 0.00000000000000 15.999 11 O 0.29738091009230 0.29738091009230 0.32409602620521 15.999 12 O 0.20261908990770 0.79738091009231 0.82409602620521 15.999 13 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 14 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 15 Ta 0.50000000000000 0.50000000000000 0.83223057200768 180.948 16 Ta 0.00000000000000 0.00000000000000 0.33223057200768 180.948 17 Ta 0.50000000000000 0.50000000000000 0.16776942799232 180.948 18 Ta 0.00000000000000 0.00000000000000 0.66776942799232 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.461843160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.461843160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 18.373732459999999 Atomic positions (fractional): 1 O 0.35130954495385 0.35130954495385 0.33795198689739 15.999 > 1 2 O 0.85130954495385 0.35130954495385 0.33795198689739 15.999 > 1 3 O 0.35130954495385 0.85130954495385 0.33795198689739 15.999 > 1 4 O 0.85130954495385 0.85130954495385 0.33795198689739 15.999 > 1 5 O 0.35130954495385 0.35130954495385 0.83795198689739 15.999 > 1 6 O 0.85130954495385 0.35130954495385 0.83795198689739 15.999 > 1 7 O 0.35130954495385 0.85130954495385 0.83795198689739 15.999 > 1 8 O 0.85130954495385 0.85130954495385 0.83795198689739 15.999 > 1 9 O 0.14869045504615 0.14869045504615 0.33795198689739 15.999 > 9 10 O 0.64869045504615 0.14869045504615 0.33795198689739 15.999 > 9 11 O 0.14869045504615 0.64869045504615 0.33795198689739 15.999 > 9 12 O 0.64869045504615 0.64869045504615 0.33795198689739 15.999 > 9 13 O 0.14869045504615 0.14869045504615 0.83795198689739 15.999 > 9 14 O 0.64869045504615 0.14869045504615 0.83795198689739 15.999 > 9 15 O 0.14869045504615 0.64869045504615 0.83795198689739 15.999 > 9 16 O 0.64869045504615 0.64869045504615 0.83795198689739 15.999 > 9 17 O 0.35130954495385 0.35130954495385 0.16204801310261 15.999 > 17 18 O 0.85130954495385 0.35130954495385 0.16204801310261 15.999 > 17 19 O 0.35130954495385 0.85130954495385 0.16204801310261 15.999 > 17 20 O 0.85130954495385 0.85130954495385 0.16204801310261 15.999 > 17 21 O 0.35130954495385 0.35130954495385 0.66204801310261 15.999 > 17 22 O 0.85130954495385 0.35130954495385 0.66204801310261 15.999 > 17 23 O 0.35130954495385 0.85130954495385 0.66204801310261 15.999 > 17 24 O 0.85130954495385 0.85130954495385 0.66204801310261 15.999 > 17 25 O 0.10130954495385 0.39869045504615 0.08795198689739 15.999 > 25 26 O 0.60130954495385 0.39869045504615 0.08795198689739 15.999 > 25 27 O 0.10130954495385 0.89869045504615 0.08795198689739 15.999 > 25 28 O 0.60130954495385 0.89869045504615 0.08795198689739 15.999 > 25 29 O 0.10130954495385 0.39869045504615 0.58795198689739 15.999 > 25 30 O 0.60130954495385 0.39869045504615 0.58795198689739 15.999 > 25 31 O 0.10130954495385 0.89869045504615 0.58795198689739 15.999 > 25 32 O 0.60130954495385 0.89869045504615 0.58795198689739 15.999 > 25 33 O 0.39869045504615 0.10130954495385 0.08795198689739 15.999 > 33 34 O 0.89869045504615 0.10130954495385 0.08795198689739 15.999 > 33 35 O 0.39869045504615 0.60130954495385 0.08795198689739 15.999 > 33 36 O 0.89869045504615 0.60130954495385 0.08795198689739 15.999 > 33 37 O 0.39869045504615 0.10130954495385 0.58795198689739 15.999 > 33 38 O 0.89869045504615 0.10130954495385 0.58795198689739 15.999 > 33 39 O 0.39869045504615 0.60130954495385 0.58795198689739 15.999 > 33 40 O 0.89869045504615 0.60130954495385 0.58795198689739 15.999 > 33 41 O 0.39869045504615 0.10130954495385 0.41204801310261 15.999 > 41 42 O 0.89869045504615 0.10130954495385 0.41204801310261 15.999 > 41 43 O 0.39869045504615 0.60130954495385 0.41204801310261 15.999 > 41 44 O 0.89869045504615 0.60130954495385 0.41204801310261 15.999 > 41 45 O 0.39869045504615 0.10130954495385 0.91204801310261 15.999 > 41 46 O 0.89869045504615 0.10130954495385 0.91204801310261 15.999 > 41 47 O 0.39869045504615 0.60130954495385 0.91204801310261 15.999 > 41 48 O 0.89869045504615 0.60130954495385 0.91204801310261 15.999 > 41 49 O 0.15513331932767 0.15513331932767 0.00000000000000 15.999 > 49 50 O 0.65513331932767 0.15513331932767 0.00000000000000 15.999 > 49 51 O 0.15513331932767 0.65513331932767 0.00000000000000 15.999 > 49 52 O 0.65513331932767 0.65513331932767 0.00000000000000 15.999 > 49 53 O 0.15513331932767 0.15513331932767 0.50000000000000 15.999 > 49 54 O 0.65513331932767 0.15513331932767 0.50000000000000 15.999 > 49 55 O 0.15513331932767 0.65513331932767 0.50000000000000 15.999 > 49 56 O 0.65513331932767 0.65513331932767 0.50000000000000 15.999 > 49 57 O 0.09486668067233 0.40513331932767 0.25000000000000 15.999 > 57 58 O 0.59486668067233 0.40513331932767 0.25000000000000 15.999 > 57 59 O 0.09486668067233 0.90513331932767 0.25000000000000 15.999 > 57 60 O 0.59486668067233 0.90513331932767 0.25000000000000 15.999 > 57 61 O 0.09486668067233 0.40513331932767 0.75000000000000 15.999 > 57 62 O 0.59486668067233 0.40513331932767 0.75000000000000 15.999 > 57 63 O 0.09486668067233 0.90513331932767 0.75000000000000 15.999 > 57 64 O 0.59486668067233 0.90513331932767 0.75000000000000 15.999 > 57 65 O 0.40513331932767 0.09486668067233 0.25000000000000 15.999 > 65 66 O 0.90513331932767 0.09486668067233 0.25000000000000 15.999 > 65 67 O 0.40513331932767 0.59486668067233 0.25000000000000 15.999 > 65 68 O 0.90513331932767 0.59486668067233 0.25000000000000 15.999 > 65 69 O 0.40513331932767 0.09486668067233 0.75000000000000 15.999 > 65 70 O 0.90513331932767 0.09486668067233 0.75000000000000 15.999 > 65 71 O 0.40513331932767 0.59486668067233 0.75000000000000 15.999 > 65 72 O 0.90513331932767 0.59486668067233 0.75000000000000 15.999 > 65 73 O 0.34486668067233 0.34486668067233 0.00000000000000 15.999 > 73 74 O 0.84486668067233 0.34486668067233 0.00000000000000 15.999 > 73 75 O 0.34486668067233 0.84486668067233 0.00000000000000 15.999 > 73 76 O 0.84486668067233 0.84486668067233 0.00000000000000 15.999 > 73 77 O 0.34486668067233 0.34486668067233 0.50000000000000 15.999 > 73 78 O 0.84486668067233 0.34486668067233 0.50000000000000 15.999 > 73 79 O 0.34486668067233 0.84486668067233 0.50000000000000 15.999 > 73 80 O 0.84486668067233 0.84486668067233 0.50000000000000 15.999 > 73 81 O 0.14869045504615 0.14869045504615 0.16204801310261 15.999 > 81 82 O 0.64869045504615 0.14869045504615 0.16204801310261 15.999 > 81 83 O 0.14869045504615 0.64869045504615 0.16204801310261 15.999 > 81 84 O 0.64869045504615 0.64869045504615 0.16204801310261 15.999 > 81 85 O 0.14869045504615 0.14869045504615 0.66204801310261 15.999 > 81 86 O 0.64869045504615 0.14869045504615 0.66204801310261 15.999 > 81 87 O 0.14869045504615 0.64869045504615 0.66204801310261 15.999 > 81 88 O 0.64869045504615 0.64869045504615 0.66204801310261 15.999 > 81 89 O 0.10130954495385 0.39869045504615 0.41204801310261 15.999 > 89 90 O 0.60130954495385 0.39869045504615 0.41204801310261 15.999 > 89 91 O 0.10130954495385 0.89869045504615 0.41204801310261 15.999 > 89 92 O 0.60130954495385 0.89869045504615 0.41204801310261 15.999 > 89 93 O 0.10130954495385 0.39869045504615 0.91204801310261 15.999 > 89 94 O 0.60130954495385 0.39869045504615 0.91204801310261 15.999 > 89 95 O 0.10130954495385 0.89869045504615 0.91204801310261 15.999 > 89 96 O 0.60130954495385 0.89869045504615 0.91204801310261 15.999 > 89 97 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 97 98 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 97 99 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 97 100 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 97 101 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 97 102 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 97 103 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 97 104 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 97 105 Mg 0.25000000000000 0.25000000000000 0.25000000000000 24.305 > 105 106 Mg 0.75000000000000 0.25000000000000 0.25000000000000 24.305 > 105 107 Mg 0.25000000000000 0.75000000000000 0.25000000000000 24.305 > 105 108 Mg 0.75000000000000 0.75000000000000 0.25000000000000 24.305 > 105 109 Mg 0.25000000000000 0.25000000000000 0.75000000000000 24.305 > 105 110 Mg 0.75000000000000 0.25000000000000 0.75000000000000 24.305 > 105 111 Mg 0.25000000000000 0.75000000000000 0.75000000000000 24.305 > 105 112 Mg 0.75000000000000 0.75000000000000 0.75000000000000 24.305 > 105 113 Ta 0.25000000000000 0.25000000000000 0.41611528600384 180.948 > 113 114 Ta 0.75000000000000 0.25000000000000 0.41611528600384 180.948 > 113 115 Ta 0.25000000000000 0.75000000000000 0.41611528600384 180.948 > 113 116 Ta 0.75000000000000 0.75000000000000 0.41611528600384 180.948 > 113 117 Ta 0.25000000000000 0.25000000000000 0.91611528600384 180.948 > 113 118 Ta 0.75000000000000 0.25000000000000 0.91611528600384 180.948 > 113 119 Ta 0.25000000000000 0.75000000000000 0.91611528600384 180.948 > 113 120 Ta 0.75000000000000 0.75000000000000 0.91611528600384 180.948 > 113 121 Ta 0.00000000000000 0.00000000000000 0.16611528600384 180.948 > 121 122 Ta 0.50000000000000 0.00000000000000 0.16611528600384 180.948 > 121 123 Ta 0.00000000000000 0.50000000000000 0.16611528600384 180.948 > 121 124 Ta 0.50000000000000 0.50000000000000 0.16611528600384 180.948 > 121 125 Ta 0.00000000000000 0.00000000000000 0.66611528600384 180.948 > 121 126 Ta 0.50000000000000 0.00000000000000 0.66611528600384 180.948 > 121 127 Ta 0.00000000000000 0.50000000000000 0.66611528600384 180.948 > 121 128 Ta 0.50000000000000 0.50000000000000 0.66611528600384 180.948 > 121 129 Ta 0.25000000000000 0.25000000000000 0.08388471399616 180.948 > 129 130 Ta 0.75000000000000 0.25000000000000 0.08388471399616 180.948 > 129 131 Ta 0.25000000000000 0.75000000000000 0.08388471399616 180.948 > 129 132 Ta 0.75000000000000 0.75000000000000 0.08388471399616 180.948 > 129 133 Ta 0.25000000000000 0.25000000000000 0.58388471399616 180.948 > 129 134 Ta 0.75000000000000 0.25000000000000 0.58388471399616 180.948 > 129 135 Ta 0.25000000000000 0.75000000000000 0.58388471399616 180.948 > 129 136 Ta 0.75000000000000 0.75000000000000 0.58388471399616 180.948 > 129 137 Ta 0.00000000000000 0.00000000000000 0.33388471399616 180.948 > 137 138 Ta 0.50000000000000 0.00000000000000 0.33388471399616 180.948 > 137 139 Ta 0.00000000000000 0.50000000000000 0.33388471399616 180.948 > 137 140 Ta 0.50000000000000 0.50000000000000 0.33388471399616 180.948 > 137 141 Ta 0.00000000000000 0.00000000000000 0.83388471399616 180.948 > 137 142 Ta 0.50000000000000 0.00000000000000 0.83388471399616 180.948 > 137 143 Ta 0.00000000000000 0.50000000000000 0.83388471399616 180.948 > 137 144 Ta 0.50000000000000 0.50000000000000 0.83388471399616 180.948 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0362241 0.0000000 0.0000000 0.0000000 5.0362241 0.0000000 0.0000000 0.0000000 5.5053640 -------------------------- Born effective charges -------------------------- 1 O -3.1089119 -1.7767561 0.9893953 -1.7767561 -3.1089119 0.9893953 0.8419226 0.8419226 -2.4567151 2 O -3.1089119 -1.7767561 -0.9893953 -1.7767561 -3.1089119 -0.9893953 -0.8419226 -0.8419226 -2.4567151 3 O -3.1089119 -1.7767561 -0.9893953 -1.7767561 -3.1089119 -0.9893953 -0.8419226 -0.8419226 -2.4567151 4 O -3.1089119 1.7767561 0.9893953 1.7767561 -3.1089119 -0.9893953 0.8419226 -0.8419226 -2.4567151 5 O -3.1089119 1.7767561 -0.9893953 1.7767561 -3.1089119 0.9893953 -0.8419226 0.8419226 -2.4567151 6 O -3.1089119 1.7767561 0.9893953 1.7767561 -3.1089119 -0.9893953 0.8419226 -0.8419226 -2.4567151 7 O -1.8301400 -0.5701871 0.0000000 -0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 8 O -1.8301400 0.5701871 0.0000000 0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 9 O -1.8301400 0.5701871 0.0000000 0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 10 O -1.8301400 -0.5701871 0.0000000 -0.5701871 -1.8301400 0.0000000 0.0000000 0.0000000 -4.1614816 11 O -3.1089119 -1.7767561 0.9893953 -1.7767561 -3.1089119 0.9893953 0.8419226 0.8419226 -2.4567151 12 O -3.1089119 1.7767561 -0.9893953 1.7767561 -3.1089119 0.9893953 -0.8419226 0.8419226 -2.4567151 13 Mg 2.3210533 0.2469338 0.0000000 0.2469338 2.3210533 0.0000000 0.0000000 0.0000000 2.5164029 14 Mg 2.3210533 -0.2469338 0.0000000 -0.2469338 2.3210533 0.0000000 0.0000000 0.0000000 2.5164029 15 Ta 6.8874373 -0.7877630 0.0000000 -0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 16 Ta 6.8874373 0.7877630 0.0000000 0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 17 Ta 6.8874373 -0.7877630 0.0000000 -0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 18 Ta 6.8874373 0.7877630 0.0000000 0.7877630 6.8874373 0.0000000 0.0000000 0.0000000 7.8167103 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000023 (zxx) -0.00000023 (zxx) -0.00000023 (zxx) 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 ... [ 11 11 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.70, Number of G-points: 313, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 10.770 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.711 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000 13.033 ( 0.000 0.000 0.000) 0.000 13.316 ( 0.000 0.000 0.000) 0.000 13.316 ( 0.000 0.000 0.000) 0.000 13.841 ( 0.000 0.000 0.000) 0.000 15.595 ( 0.000 0.000 0.000) 0.000 15.595 ( 0.000 0.000 0.000) 0.000 15.600 ( 0.000 0.000 0.000) 0.000 16.422 ( 0.000 0.000 0.000) 0.000 17.061 ( 0.000 0.000 0.000) 0.000 17.061 ( 0.000 0.000 0.000) 0.000 17.135 ( 0.000 0.000 0.000) 0.000 17.135 ( 0.000 0.000 0.000) 0.000 18.665 ( 0.000 0.000 0.000) 0.000 19.086 ( 0.000 0.000 0.000) 0.000 20.595 ( 0.000 0.000 0.000) 0.000 20.640 ( 0.000 0.000 0.000) 0.000 21.476 ( 0.000 0.000 0.000) 0.000 25.636 ( 0.000 0.000 0.000) 0.000 26.347 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.09 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 30.681 0.000 0.000) 30.681 0.924 ( 47.232 0.000 0.000) 47.232 1.069 ( 54.630 0.000 0.000) 54.630 1.279 ( 9.800 0.000 0.000) 9.800 1.347 ( 14.575 0.000 0.000) 14.575 3.753 ( -0.715 0.000 0.000) 0.715 3.975 ( 4.070 0.000 0.000) 4.070 4.224 ( -11.049 0.000 0.000) 11.049 4.421 ( 8.996 0.000 0.000) 8.996 5.078 ( -8.893 0.000 0.000) 8.893 5.121 ( -5.020 0.000 0.000) 5.020 5.960 ( 8.846 0.000 0.000) 8.846 6.150 ( -6.667 0.000 0.000) 6.667 6.367 ( 8.316 0.000 0.000) 8.316 6.673 ( 14.484 0.000 0.000) 14.484 7.028 ( -16.472 0.000 0.000) 16.472 7.213 ( -6.915 0.000 0.000) 6.915 7.427 ( 12.363 0.000 0.000) 12.363 7.996 ( 8.934 0.000 0.000) 8.934 8.025 ( -1.509 0.000 0.000) 1.509 8.779 ( 14.203 0.000 0.000) 14.203 8.792 ( 1.356 0.000 0.000) 1.356 8.875 ( 1.313 0.000 0.000) 1.313 9.042 ( -6.206 0.000 0.000) 6.206 9.352 ( -6.083 0.000 0.000) 6.083 9.435 ( -3.438 0.000 0.000) 3.438 10.759 ( -0.972 0.000 0.000) 0.972 10.978 ( 3.679 0.000 0.000) 3.679 10.994 ( 1.154 0.000 0.000) 1.154 11.598 ( -10.152 0.000 0.000) 10.152 12.229 ( -4.272 0.000 0.000) 4.272 12.328 ( 4.280 0.000 0.000) 4.280 12.476 ( -6.790 0.000 0.000) 6.790 12.821 ( 1.510 0.000 0.000) 1.510 12.968 ( -6.569 0.000 0.000) 6.569 13.162 ( -6.315 0.000 0.000) 6.315 13.355 ( 3.958 0.000 0.000) 3.958 13.393 ( 7.386 0.000 0.000) 7.386 13.856 ( 1.484 0.000 0.000) 1.484 15.284 ( -18.168 0.000 0.000) 18.168 15.813 ( 10.031 0.000 0.000) 10.031 16.370 ( -5.032 0.000 0.000) 5.032 16.832 ( -21.385 0.000 0.000) 21.385 16.940 ( 6.683 0.000 0.000) 6.683 17.119 ( 5.671 0.000 0.000) 5.671 17.310 ( 16.157 0.000 0.000) 16.157 18.664 ( -0.771 0.000 0.000) 0.771 19.046 ( -4.038 0.000 0.000) 4.038 20.570 ( -2.635 0.000 0.000) 2.635 20.581 ( -5.936 0.000 0.000) 5.936 21.686 ( 20.477 0.000 0.000) 20.477 24.123 ( 5.975 0.000 0.000) 5.975 25.585 ( -5.308 0.000 0.000) 5.308 26.289 ( -5.929 0.000 0.000) 5.929 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.18 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 18.287 0.000 0.000) 18.287 1.584 ( 22.267 0.000 0.000) 22.267 1.648 ( 14.750 0.000 0.000) 14.750 1.799 ( 43.392 0.000 0.000) 43.392 2.078 ( 49.803 0.000 0.000) 49.803 3.738 ( -0.769 0.000 0.000) 0.769 3.984 ( -12.308 0.000 0.000) 12.308 4.023 ( 0.617 0.000 0.000) 0.617 4.703 ( 19.249 0.000 0.000) 19.249 4.836 ( -15.670 0.000 0.000) 15.670 4.956 ( -12.029 0.000 0.000) 12.029 6.011 ( -7.661 0.000 0.000) 7.661 6.176 ( 12.657 0.000 0.000) 12.657 6.564 ( 11.130 0.000 0.000) 11.130 6.696 ( -16.472 0.000 0.000) 16.472 6.984 ( 16.657 0.000 0.000) 16.657 7.148 ( 1.223 0.000 0.000) 1.223 7.783 ( 24.401 0.000 0.000) 24.401 7.979 ( -3.314 0.000 0.000) 3.314 8.105 ( 1.489 0.000 0.000) 1.489 8.693 ( -13.958 0.000 0.000) 13.958 8.909 ( 2.005 0.000 0.000) 2.005 9.022 ( 6.753 0.000 0.000) 6.753 9.064 ( 13.942 0.000 0.000) 13.942 9.211 ( -8.092 0.000 0.000) 8.092 9.350 ( -4.904 0.000 0.000) 4.904 10.742 ( -0.517 0.000 0.000) 0.517 11.015 ( 0.316 0.000 0.000) 0.316 11.064 ( 4.933 0.000 0.000) 4.933 11.388 ( -10.031 0.000 0.000) 10.031 12.127 ( -6.039 0.000 0.000) 6.039 12.293 ( -11.759 0.000 0.000) 11.759 12.395 ( 2.223 0.000 0.000) 2.223 12.799 ( -10.382 0.000 0.000) 10.382 12.836 ( -0.780 0.000 0.000) 0.780 13.002 ( -9.761 0.000 0.000) 9.761 13.461 ( 6.923 0.000 0.000) 6.923 13.563 ( 9.331 0.000 0.000) 9.331 13.897 ( 2.759 0.000 0.000) 2.759 14.944 ( -16.410 0.000 0.000) 16.410 16.020 ( 12.100 0.000 0.000) 12.100 16.246 ( -7.497 0.000 0.000) 7.497 16.360 ( -24.809 0.000 0.000) 24.809 17.107 ( 9.817 0.000 0.000) 9.817 17.264 ( 9.079 0.000 0.000) 9.079 17.670 ( 19.750 0.000 0.000) 19.750 18.616 ( -4.370 0.000 0.000) 4.370 18.938 ( -6.911 0.000 0.000) 6.911 20.427 ( -9.677 0.000 0.000) 9.677 20.492 ( -5.493 0.000 0.000) 5.493 22.187 ( 29.783 0.000 0.000) 29.783 24.283 ( 10.340 0.000 0.000) 10.340 25.433 ( -10.572 0.000 0.000) 10.572 26.127 ( -10.648 0.000 0.000) 10.648 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.27 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 9.728 0.000 0.000) 9.728 1.868 ( 7.584 0.000 0.000) 7.584 2.072 ( 26.487 0.000 0.000) 26.487 2.573 ( 36.700 0.000 0.000) 36.700 2.951 ( 39.975 0.000 0.000) 39.975 3.723 ( -1.050 0.000 0.000) 1.050 3.797 ( -6.375 0.000 0.000) 6.375 4.009 ( -1.829 0.000 0.000) 1.829 4.504 ( -17.921 0.000 0.000) 17.921 4.690 ( -14.492 0.000 0.000) 14.492 5.084 ( 18.155 0.000 0.000) 18.155 5.860 ( -7.836 0.000 0.000) 7.836 6.423 ( 12.850 0.000 0.000) 12.850 6.451 ( -7.386 0.000 0.000) 7.386 6.765 ( 9.129 0.000 0.000) 9.129 7.233 ( 5.679 0.000 0.000) 5.679 7.268 ( 11.684 0.000 0.000) 11.684 7.906 ( -3.663 0.000 0.000) 3.663 8.052 ( -7.063 0.000 0.000) 7.063 8.334 ( 31.708 0.000 0.000) 31.708 8.370 ( -16.947 0.000 0.000) 16.947 8.929 ( -0.804 0.000 0.000) 0.804 9.045 ( -8.359 0.000 0.000) 8.359 9.206 ( 9.871 0.000 0.000) 9.871 9.281 ( -1.132 0.000 0.000) 1.132 9.300 ( 11.108 0.000 0.000) 11.108 10.744 ( 0.701 0.000 0.000) 0.701 10.965 ( -5.835 0.000 0.000) 5.835 11.160 ( 5.016 0.000 0.000) 5.016 11.274 ( -1.233 0.000 0.000) 1.233 12.000 ( -7.267 0.000 0.000) 7.267 12.044 ( -13.673 0.000 0.000) 13.673 12.407 ( -0.907 0.000 0.000) 0.907 12.599 ( -9.631 0.000 0.000) 9.631 12.762 ( -7.295 0.000 0.000) 7.295 12.805 ( -10.329 0.000 0.000) 10.329 13.608 ( 7.925 0.000 0.000) 7.925 13.723 ( 6.912 0.000 0.000) 6.912 13.963 ( 4.121 0.000 0.000) 4.121 14.667 ( -12.354 0.000 0.000) 12.354 15.962 ( -15.368 0.000 0.000) 15.368 16.094 ( -8.012 0.000 0.000) 8.012 16.285 ( 15.381 0.000 0.000) 15.381 17.280 ( 7.166 0.000 0.000) 7.166 17.458 ( 10.971 0.000 0.000) 10.971 18.030 ( 17.150 0.000 0.000) 17.150 18.498 ( -7.691 0.000 0.000) 7.691 18.798 ( -7.110 0.000 0.000) 7.110 20.230 ( -10.164 0.000 0.000) 10.164 20.361 ( -8.044 0.000 0.000) 8.044 22.780 ( 31.118 0.000 0.000) 31.118 24.508 ( 12.816 0.000 0.000) 12.816 25.180 ( -15.644 0.000 0.000) 15.644 25.891 ( -13.558 0.000 0.000) 13.558 ======================= Grid point 4 (5/63) ======================= q-point: ( 0.36 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 8.216 0.000 0.000) 8.216 1.933 ( -0.712 0.000 0.000) 0.712 2.564 ( 24.359 0.000 0.000) 24.359 3.187 ( 26.518 0.000 0.000) 26.518 3.563 ( 22.140 0.000 0.000) 22.140 3.658 ( -7.644 0.000 0.000) 7.644 3.753 ( 1.734 0.000 0.000) 1.734 3.960 ( -2.966 0.000 0.000) 2.966 4.208 ( -10.655 0.000 0.000) 10.655 4.432 ( -11.885 0.000 0.000) 11.885 5.342 ( 8.918 0.000 0.000) 8.918 5.719 ( -6.697 0.000 0.000) 6.697 6.457 ( 7.665 0.000 0.000) 7.665 6.675 ( 13.495 0.000 0.000) 13.495 6.891 ( 3.305 0.000 0.000) 3.305 7.290 ( -1.155 0.000 0.000) 1.155 7.398 ( 2.101 0.000 0.000) 2.101 7.828 ( -14.832 0.000 0.000) 14.832 7.877 ( 1.295 0.000 0.000) 1.295 8.124 ( -8.379 0.000 0.000) 8.379 8.870 ( -4.538 0.000 0.000) 4.538 8.893 ( -7.006 0.000 0.000) 7.006 8.944 ( 30.282 0.000 0.000) 30.282 9.317 ( 4.094 0.000 0.000) 4.094 9.367 ( 6.194 0.000 0.000) 6.194 9.510 ( 10.539 0.000 0.000) 10.539 10.762 ( 0.810 0.000 0.000) 0.810 10.834 ( -6.604 0.000 0.000) 6.604 11.261 ( 5.760 0.000 0.000) 5.760 11.303 ( 3.364 0.000 0.000) 3.364 11.786 ( -12.784 0.000 0.000) 12.784 11.834 ( -10.390 0.000 0.000) 10.390 12.372 ( -2.212 0.000 0.000) 2.212 12.453 ( -5.074 0.000 0.000) 5.074 12.572 ( -11.149 0.000 0.000) 11.149 12.618 ( -8.852 0.000 0.000) 8.852 13.750 ( 6.516 0.000 0.000) 6.516 13.826 ( 3.864 0.000 0.000) 3.864 14.055 ( 5.400 0.000 0.000) 5.400 14.462 ( -9.284 0.000 0.000) 9.284 15.778 ( -4.392 0.000 0.000) 4.392 15.947 ( -7.078 0.000 0.000) 7.078 16.603 ( 17.355 0.000 0.000) 17.355 17.341 ( -1.663 0.000 0.000) 1.663 17.679 ( 11.779 0.000 0.000) 11.779 18.318 ( 12.706 0.000 0.000) 12.706 18.328 ( -9.864 0.000 0.000) 9.864 18.686 ( -4.319 0.000 0.000) 4.319 20.060 ( -6.975 0.000 0.000) 6.975 20.194 ( -8.866 0.000 0.000) 8.866 23.365 ( 29.590 0.000 0.000) 29.590 24.767 ( 14.032 0.000 0.000) 14.032 24.834 ( -20.258 0.000 0.000) 20.258 25.616 ( -14.809 0.000 0.000) 14.809 ======================= Grid point 5 (6/63) ======================= q-point: ( 0.45 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 8.894 0.000 0.000) 8.894 1.855 ( -6.870 0.000 0.000) 6.870 3.007 ( 21.780 0.000 0.000) 21.780 3.396 ( -18.239 0.000 0.000) 18.239 3.578 ( 14.317 0.000 0.000) 14.317 3.748 ( -2.419 0.000 0.000) 2.419 3.840 ( 5.954 0.000 0.000) 5.954 3.918 ( -1.569 0.000 0.000) 1.569 4.138 ( 2.182 0.000 0.000) 2.182 4.241 ( -7.912 0.000 0.000) 7.912 5.482 ( 6.646 0.000 0.000) 6.646 5.602 ( -5.832 0.000 0.000) 5.832 6.669 ( 12.139 0.000 0.000) 12.139 6.862 ( -6.606 0.000 0.000) 6.606 6.939 ( 13.694 0.000 0.000) 13.694 7.176 ( -10.055 0.000 0.000) 10.055 7.428 ( 3.433 0.000 0.000) 3.433 7.567 ( -10.976 0.000 0.000) 10.976 7.934 ( 3.706 0.000 0.000) 3.706 8.009 ( -4.373 0.000 0.000) 4.373 8.793 ( -2.570 0.000 0.000) 2.570 8.794 ( -2.825 0.000 0.000) 2.825 9.400 ( 3.625 0.000 0.000) 3.625 9.433 ( 0.616 0.000 0.000) 0.616 9.438 ( 19.511 0.000 0.000) 19.511 9.636 ( -0.365 0.000 0.000) 0.365 10.750 ( -1.348 0.000 0.000) 1.348 10.761 ( -1.022 0.000 0.000) 1.022 11.389 ( 7.712 0.000 0.000) 7.712 11.402 ( 7.515 0.000 0.000) 7.515 11.562 ( -10.356 0.000 0.000) 10.356 11.603 ( -12.659 0.000 0.000) 12.659 12.345 ( -0.008 0.000 0.000) 0.008 12.397 ( -5.985 0.000 0.000) 5.985 12.412 ( 0.754 0.000 0.000) 0.754 12.476 ( -5.657 0.000 0.000) 5.657 13.846 ( 3.206 0.000 0.000) 3.206 13.870 ( 0.640 0.000 0.000) 0.640 14.169 ( 6.433 0.000 0.000) 6.433 14.302 ( -7.516 0.000 0.000) 7.516 15.761 ( 1.815 0.000 0.000) 1.815 15.829 ( -5.023 0.000 0.000) 5.023 16.934 ( 16.528 0.000 0.000) 16.528 17.210 ( -11.390 0.000 0.000) 11.390 17.905 ( 11.721 0.000 0.000) 11.721 18.125 ( -11.084 0.000 0.000) 11.084 18.514 ( 7.651 0.000 0.000) 7.651 18.618 ( -3.619 0.000 0.000) 3.619 19.985 ( -0.431 0.000 0.000) 0.431 20.043 ( -6.119 0.000 0.000) 6.119 23.912 ( 27.199 0.000 0.000) 27.199 24.406 ( -24.138 0.000 0.000) 24.138 25.043 ( 14.661 0.000 0.000) 14.661 25.329 ( -14.987 0.000 0.000) 14.987 ======================= Grid point 12 (7/63) ======================= q-point: ( 0.09 0.09 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 20.192 20.192 0.000) 28.556 0.870 ( 20.263 20.263 0.000) 28.656 1.327 ( 6.092 6.092 0.000) 8.615 1.493 ( 12.725 12.725 0.000) 17.996 1.762 ( 42.806 42.806 0.000) 60.537 3.746 ( -0.640 -0.640 0.000) 0.906 3.973 ( -0.687 -0.687 0.000) 0.971 4.210 ( -5.427 -5.427 0.000) 7.675 4.456 ( 8.914 8.914 0.000) 12.606 4.969 ( -12.141 -12.141 0.000) 17.170 5.059 ( -5.157 -5.157 0.000) 7.293 6.053 ( 9.181 9.181 0.000) 12.984 6.319 ( 2.735 2.735 0.000) 3.869 6.333 ( 2.358 2.358 0.000) 3.335 6.717 ( 10.349 10.349 0.000) 14.636 6.913 ( -10.330 -10.330 0.000) 14.610 7.258 ( 3.070 3.070 0.000) 4.342 7.481 ( 8.311 8.311 0.000) 11.753 7.980 ( -0.454 -0.454 0.000) 0.641 8.047 ( 0.261 0.261 0.000) 0.369 8.827 ( -2.894 -2.894 0.000) 4.093 8.837 ( 4.348 4.348 0.000) 6.149 8.905 ( 11.695 11.695 0.000) 16.539 9.002 ( -5.143 -5.143 0.000) 7.273 9.147 ( -8.151 -8.151 0.000) 11.528 9.628 ( 3.661 3.661 0.000) 5.178 10.741 ( -1.479 -1.479 0.000) 2.092 10.890 ( -2.158 -2.158 0.000) 3.052 11.015 ( 1.930 1.930 0.000) 2.730 11.504 ( -8.873 -8.873 0.000) 12.549 12.142 ( -5.725 -5.725 0.000) 8.096 12.412 ( 5.102 5.102 0.000) 7.216 12.415 ( -6.240 -6.240 0.000) 8.825 12.831 ( 0.581 0.581 0.000) 0.822 12.955 ( -11.320 -11.320 0.000) 16.009 13.120 ( 3.972 3.972 0.000) 5.618 13.306 ( -0.339 -0.339 0.000) 0.479 13.534 ( 9.627 9.627 0.000) 13.615 13.797 ( -4.580 -4.580 0.000) 6.477 15.314 ( -8.439 -8.439 0.000) 11.935 15.664 ( 3.351 3.351 0.000) 4.739 16.298 ( -7.152 -7.152 0.000) 10.114 16.724 ( -13.532 -13.532 0.000) 19.137 17.096 ( 1.608 1.608 0.000) 2.274 17.167 ( 1.501 1.501 0.000) 2.123 17.332 ( 16.913 16.913 0.000) 23.919 18.644 ( -2.448 -2.448 0.000) 3.463 19.003 ( -4.336 -4.336 0.000) 6.132 20.292 ( -14.459 -14.459 0.000) 20.448 20.638 ( 0.478 0.478 0.000) 0.676 21.880 ( 18.878 18.878 0.000) 26.697 24.273 ( 9.215 9.215 0.000) 13.032 25.538 ( -4.923 -4.923 0.000) 6.962 26.279 ( -3.656 -3.656 0.000) 5.171 ======================= Grid point 13 (8/63) ======================= q-point: ( 0.18 0.09 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 13.945 11.155 0.000) 17.858 1.486 ( 40.467 -12.270 0.000) 42.286 1.540 ( 16.252 -1.613 0.000) 16.332 1.772 ( 15.574 9.386 0.000) 18.184 2.569 ( 39.908 31.891 0.000) 51.085 3.730 ( -0.996 -0.812 0.000) 1.285 3.915 ( -6.278 -4.205 0.000) 7.556 4.072 ( -5.421 0.994 0.000) 5.511 4.653 ( -19.208 -16.429 0.000) 25.276 4.764 ( 20.646 7.980 0.000) 22.135 4.923 ( -8.972 -4.120 0.000) 9.873 6.148 ( -10.021 11.371 0.000) 15.156 6.281 ( 13.546 10.126 0.000) 16.913 6.505 ( 3.274 -5.514 0.000) 6.413 6.723 ( -4.969 0.654 0.000) 5.012 7.012 ( 17.046 5.452 0.000) 17.896 7.309 ( 2.982 15.630 0.000) 15.912 7.797 ( 23.510 1.487 0.000) 23.557 7.906 ( -6.278 -6.925 0.000) 9.347 8.080 ( 2.143 -2.457 0.000) 3.261 8.663 ( -14.631 -3.493 0.000) 15.042 8.897 ( -1.513 -3.932 0.000) 4.213 8.989 ( 3.485 -3.338 0.000) 4.826 9.033 ( -0.413 -4.282 0.000) 4.302 9.161 ( 13.571 9.668 0.000) 16.662 9.595 ( -4.962 13.021 0.000) 13.935 10.718 ( -0.703 -1.997 0.000) 2.117 10.935 ( 5.252 -9.908 0.000) 11.214 11.049 ( 0.566 3.090 0.000) 3.141 11.310 ( -9.402 -7.861 0.000) 12.255 12.034 ( -5.576 -6.820 0.000) 8.809 12.243 ( -11.386 -5.331 0.000) 12.573 12.482 ( 1.914 5.793 0.000) 6.101 12.712 ( -12.090 -8.350 0.000) 14.693 12.822 ( -1.990 -1.458 0.000) 2.467 13.110 ( -6.407 9.819 0.000) 11.724 13.351 ( 4.553 -5.078 0.000) 6.820 13.721 ( 9.095 10.005 0.000) 13.521 13.754 ( 1.325 -12.882 0.000) 12.950 15.047 ( -14.780 7.785 0.000) 16.705 15.886 ( 14.593 -9.323 0.000) 17.317 16.099 ( -13.538 -11.724 0.000) 17.909 16.396 ( -16.646 -0.248 0.000) 16.647 17.185 ( 3.652 4.419 0.000) 5.733 17.200 ( 7.983 -4.785 0.000) 9.307 17.700 ( 17.198 3.641 0.000) 17.579 18.560 ( -6.323 -5.856 0.000) 8.618 18.891 ( -6.978 -4.785 0.000) 8.461 20.062 ( -10.063 -22.277 0.000) 24.445 20.618 ( -2.735 3.599 0.000) 4.521 22.345 ( 27.826 15.491 0.000) 31.847 24.437 ( 8.502 11.746 0.000) 14.500 25.396 ( -9.857 -3.832 0.000) 10.576 26.135 ( -10.684 -0.630 0.000) 10.702 ======================= Grid point 14 (9/63) ======================= q-point: ( 0.27 0.09 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 7.466 5.168 0.000) 9.080 1.824 ( 9.783 -3.988 0.000) 10.565 2.118 ( 21.151 4.196 0.000) 21.563 2.268 ( 39.457 -20.316 0.000) 44.380 3.252 ( 29.960 20.029 0.000) 36.038 3.700 ( -2.827 -2.894 0.000) 4.046 3.782 ( -5.435 -1.794 0.000) 5.724 4.010 ( -2.333 0.171 0.000) 2.339 4.292 ( -16.569 -15.907 0.000) 22.968 4.722 ( -11.639 -0.700 0.000) 11.660 5.168 ( 19.305 9.024 0.000) 21.310 5.967 ( -8.441 9.237 0.000) 12.513 6.415 ( -5.851 -1.606 0.000) 6.067 6.544 ( 13.463 11.682 0.000) 17.825 6.790 ( 5.989 -0.618 0.000) 6.021 7.292 ( 10.529 4.767 0.000) 11.558 7.376 ( 3.220 14.259 0.000) 14.618 7.798 ( -3.249 -8.537 0.000) 9.134 8.090 ( -2.341 1.098 0.000) 2.586 8.330 ( 30.508 -0.491 0.000) 30.512 8.338 ( -16.767 -3.333 0.000) 17.095 8.839 ( -4.925 -9.446 0.000) 10.653 8.940 ( -1.717 -3.407 0.000) 3.816 9.192 ( 9.116 -1.127 0.000) 9.186 9.404 ( 11.770 10.610 0.000) 15.847 9.490 ( -5.052 13.965 0.000) 14.851 10.716 ( 0.309 -2.161 0.000) 2.183 10.982 ( -6.781 0.382 0.000) 6.792 11.051 ( 6.375 -9.871 0.000) 11.751 11.228 ( 0.730 -4.146 0.000) 4.209 11.923 ( -6.245 -6.249 0.000) 8.835 11.997 ( -13.614 -4.887 0.000) 14.465 12.484 ( -1.504 5.713 0.000) 5.908 12.514 ( -8.230 -6.383 0.000) 10.416 12.739 ( -6.944 -2.441 0.000) 7.361 12.919 ( -11.815 9.168 0.000) 14.954 13.461 ( 6.530 -8.162 0.000) 10.452 13.836 ( 6.337 -11.126 0.000) 12.805 13.860 ( 4.971 7.544 0.000) 9.034 14.780 ( -12.980 9.305 0.000) 15.970 15.831 ( -11.906 -10.676 0.000) 15.992 16.141 ( -10.601 1.920 0.000) 10.774 16.182 ( 16.217 -9.159 0.000) 18.625 17.282 ( 4.855 -0.257 0.000) 4.862 17.377 ( 10.065 -7.407 0.000) 12.497 17.964 ( 10.285 -7.353 0.000) 12.643 18.407 ( -9.319 -9.259 0.000) 13.137 18.754 ( -6.795 -5.020 0.000) 8.449 19.907 ( -5.596 -19.244 0.000) 20.041 20.527 ( -6.752 6.830 0.000) 9.604 22.901 ( 29.271 11.910 0.000) 31.601 24.613 ( 9.955 8.737 0.000) 13.245 25.160 ( -14.667 -2.178 0.000) 14.828 25.891 ( -14.122 -0.561 0.000) 14.133 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.36 0.09 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 7.165 2.098 0.000) 7.466 1.910 ( 0.003 -2.527 0.000) 2.527 2.542 ( 21.861 -1.845 0.000) 21.939 2.962 ( 31.894 -18.715 0.000) 36.979 3.573 ( -11.360 -9.268 0.000) 14.661 3.677 ( 13.134 7.269 0.000) 15.012 3.741 ( 1.264 -1.672 0.000) 2.096 3.959 ( -2.952 0.066 0.000) 2.953 4.088 ( -3.650 -7.246 0.000) 8.114 4.491 ( -12.011 2.045 0.000) 12.184 5.448 ( 9.679 10.588 0.000) 14.345 5.820 ( -7.219 9.633 0.000) 12.038 6.415 ( 6.360 -2.875 0.000) 6.980 6.796 ( 12.975 12.124 0.000) 17.757 6.846 ( -1.071 -6.531 0.000) 6.618 7.391 ( -2.555 10.439 0.000) 10.747 7.399 ( 2.541 2.423 0.000) 3.511 7.822 ( 3.349 -0.265 0.000) 3.359 7.910 ( -12.957 1.758 0.000) 13.075 8.141 ( -4.837 1.395 0.000) 5.034 8.751 ( -3.246 -7.732 0.000) 8.386 8.898 ( -3.450 -2.149 0.000) 4.065 8.913 ( 28.942 -2.900 0.000) 29.087 9.337 ( 5.668 -3.042 0.000) 6.433 9.424 ( -1.543 9.418 0.000) 9.544 9.612 ( 8.901 9.902 0.000) 13.314 10.714 ( -0.490 -2.887 0.000) 2.928 10.876 ( -3.250 2.041 0.000) 3.838 11.177 ( 6.913 -8.132 0.000) 10.674 11.275 ( 3.537 -2.665 0.000) 4.429 11.738 ( -12.939 -4.949 0.000) 13.853 11.779 ( -9.196 -4.968 0.000) 10.452 12.406 ( -2.772 -3.083 0.000) 4.146 12.436 ( -3.056 5.195 0.000) 6.027 12.568 ( -9.740 -0.392 0.000) 9.748 12.696 ( -10.880 6.330 0.000) 12.587 13.596 ( 7.467 -9.863 0.000) 12.371 13.906 ( -0.154 2.696 0.000) 2.701 13.979 ( 8.255 -6.556 0.000) 10.542 14.547 ( -11.437 6.980 0.000) 13.399 15.692 ( -2.617 -7.942 0.000) 8.362 15.962 ( -8.367 0.427 0.000) 8.378 16.508 ( 17.543 -9.164 0.000) 19.793 17.308 ( -3.424 -3.421 0.000) 4.840 17.579 ( 10.839 -9.475 0.000) 14.396 18.126 ( 7.849 -17.773 0.000) 19.429 18.212 ( -10.719 -11.569 0.000) 15.771 18.629 ( -6.774 -8.427 0.000) 10.812 19.867 ( 1.730 -8.898 0.000) 9.065 20.364 ( -9.967 8.578 0.000) 13.150 23.452 ( 27.867 8.511 0.000) 29.137 24.820 ( 11.582 4.470 0.000) 12.414 24.835 ( -19.057 -0.074 0.000) 19.057 25.608 ( -15.052 -1.120 0.000) 15.093 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.45 0.09 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 8.123 0.346 0.000) 8.131 1.846 ( -6.088 -1.178 0.000) 6.201 2.941 ( 19.513 -6.163 0.000) 20.463 3.291 ( -16.889 -9.924 0.000) 19.589 3.463 ( 19.686 -11.542 0.000) 22.820 3.722 ( -7.254 -3.724 0.000) 8.154 3.819 ( 5.915 -2.212 0.000) 6.315 3.913 ( -2.761 -0.701 0.000) 2.849 4.120 ( 5.691 -0.968 0.000) 5.773 4.276 ( -10.018 1.809 0.000) 10.180 5.583 ( 5.563 9.968 0.000) 11.415 5.690 ( -6.075 9.000 0.000) 10.859 6.593 ( 9.992 -5.951 0.000) 11.630 6.759 ( -7.051 -8.953 0.000) 11.396 7.045 ( 12.758 10.892 0.000) 16.775 7.268 ( -9.729 9.603 0.000) 13.670 7.473 ( 5.951 4.047 0.000) 7.197 7.636 ( -11.161 4.221 0.000) 11.933 7.949 ( 5.736 2.266 0.000) 6.168 8.052 ( -4.946 4.400 0.000) 6.620 8.735 ( 1.784 -3.977 0.000) 4.359 8.809 ( -5.131 -1.259 0.000) 5.283 9.402 ( 20.840 -3.202 0.000) 21.084 9.407 ( 1.850 -1.796 0.000) 2.578 9.420 ( 0.257 2.061 0.000) 2.077 9.666 ( -5.342 2.460 0.000) 5.881 10.742 ( 4.129 1.393 0.000) 4.358 10.827 ( -3.285 4.203 0.000) 5.334 11.324 ( 8.513 -6.550 0.000) 10.741 11.373 ( 7.362 -3.001 0.000) 7.950 11.509 ( -10.811 -5.476 0.000) 12.119 11.567 ( -11.992 -3.578 0.000) 12.514 12.389 ( -1.103 4.084 0.000) 4.230 12.409 ( 2.996 0.408 0.000) 3.024 12.419 ( -4.717 2.291 0.000) 5.244 12.514 ( -7.702 3.497 0.000) 8.458 13.741 ( 7.207 -8.348 0.000) 11.028 13.858 ( -4.628 -3.445 0.000) 5.769 14.149 ( 9.389 -1.798 0.000) 9.560 14.338 ( -10.324 2.895 0.000) 10.722 15.710 ( 3.825 -4.975 0.000) 6.275 15.816 ( -6.777 -1.846 0.000) 7.024 16.845 ( 17.139 -8.893 0.000) 19.309 17.143 ( -12.976 -6.982 0.000) 14.735 17.790 ( 11.020 -11.251 0.000) 15.749 18.002 ( -11.033 -12.175 0.000) 16.430 18.294 ( 9.609 -19.457 0.000) 21.701 18.478 ( -8.990 -15.206 0.000) 17.664 19.968 ( 8.288 1.739 0.000) 8.468 20.159 ( -10.893 7.395 0.000) 13.165 23.967 ( 25.609 5.327 0.000) 26.157 24.432 ( -22.728 2.439 0.000) 22.858 25.057 ( 13.121 1.027 0.000) 13.161 25.323 ( -14.440 -0.826 0.000) 14.464 ======================= Grid point 24 (12/63) ======================= q-point: ( 0.18 0.18 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 10.817 10.817 0.000) 15.297 1.500 ( 13.825 13.825 0.000) 19.551 1.542 ( 3.934 3.934 0.000) 5.563 1.974 ( 11.492 11.492 0.000) 16.253 3.155 ( 27.659 27.659 0.000) 39.115 3.697 ( -3.167 -3.167 0.000) 4.479 3.824 ( -5.449 -5.449 0.000) 7.706 4.051 ( -1.989 -1.989 0.000) 2.813 4.296 ( -18.395 -18.395 0.000) 26.015 4.808 ( -7.458 -7.458 0.000) 10.547 5.034 ( 18.994 18.994 0.000) 26.861 6.242 ( -5.901 -5.901 0.000) 8.345 6.471 ( 4.625 4.625 0.000) 6.540 6.531 ( 15.020 15.020 0.000) 21.242 6.689 ( -2.376 -2.376 0.000) 3.360 7.233 ( 15.570 15.570 0.000) 22.019 7.656 ( 14.490 14.490 0.000) 20.492 7.735 ( -9.914 -9.914 0.000) 14.021 7.877 ( 11.430 11.430 0.000) 16.165 8.041 ( -0.817 -0.817 0.000) 1.156 8.523 ( -11.901 -11.901 0.000) 16.830 8.764 ( -5.882 -5.882 0.000) 8.319 8.947 ( -2.457 -2.457 0.000) 3.475 9.060 ( 4.672 4.672 0.000) 6.608 9.405 ( 14.774 14.774 0.000) 20.894 9.749 ( 2.586 2.586 0.000) 3.657 10.689 ( -0.629 -0.629 0.000) 0.889 10.809 ( -1.749 -1.749 0.000) 2.473 11.108 ( -11.407 -11.407 0.000) 16.132 11.117 ( 2.899 2.899 0.000) 4.100 11.912 ( -5.807 -5.807 0.000) 8.212 12.089 ( -10.452 -10.452 0.000) 14.782 12.534 ( -8.891 -8.891 0.000) 12.573 12.553 ( 1.301 1.301 0.000) 1.840 12.774 ( -3.807 -3.807 0.000) 5.383 13.292 ( 4.419 4.419 0.000) 6.249 13.316 ( 1.328 1.328 0.000) 1.878 13.496 ( -8.963 -8.963 0.000) 12.675 13.886 ( 6.514 6.514 0.000) 9.213 15.106 ( -3.840 -3.840 0.000) 5.431 15.823 ( 4.479 4.479 0.000) 6.334 15.841 ( -14.295 -14.295 0.000) 20.215 16.310 ( -8.043 -8.043 0.000) 11.375 17.157 ( 1.162 1.162 0.000) 1.643 17.229 ( 1.444 1.444 0.000) 2.042 17.773 ( 1.850 1.850 0.000) 2.616 18.397 ( -10.776 -10.776 0.000) 15.239 18.763 ( -8.296 -8.296 0.000) 11.733 19.734 ( -10.300 -10.300 0.000) 14.566 20.648 ( -0.271 -0.271 0.000) 0.384 22.731 ( 23.289 23.289 0.000) 32.936 24.631 ( 8.126 8.126 0.000) 11.491 25.284 ( -7.890 -7.890 0.000) 11.159 26.054 ( -8.100 -8.100 0.000) 11.456 ======================= Grid point 25 (13/63) ======================= q-point: ( 0.27 0.18 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 1.687 6.001 0.000) 6.233 1.738 ( 8.910 -4.305 0.000) 9.895 1.942 ( 29.584 -11.746 0.000) 31.831 2.220 ( 14.342 6.329 0.000) 15.676 3.572 ( -10.586 -11.267 0.000) 15.460 3.590 ( 16.664 14.079 0.000) 21.815 3.721 ( -4.401 -4.409 0.000) 6.230 4.016 ( -2.045 0.206 0.000) 2.055 4.034 ( -7.298 -8.760 0.000) 11.402 4.648 ( -8.944 -6.196 0.000) 10.880 5.427 ( 19.866 17.229 0.000) 26.296 6.093 ( -6.649 0.828 0.000) 6.700 6.470 ( -4.675 8.349 0.000) 9.569 6.710 ( 2.685 -5.366 0.000) 6.000 6.829 ( 15.367 17.003 0.000) 22.918 7.460 ( 1.098 7.822 0.000) 7.898 7.643 ( 7.129 -4.082 0.000) 8.215 7.741 ( -0.838 22.554 0.000) 22.570 8.059 ( 2.486 -3.480 0.000) 4.277 8.238 ( -16.114 -7.180 0.000) 17.641 8.310 ( 27.624 -1.743 0.000) 27.679 8.677 ( -3.833 -6.555 0.000) 7.593 8.902 ( -2.147 -0.674 0.000) 2.251 9.159 ( 5.188 -2.277 0.000) 5.665 9.690 ( 13.666 18.406 0.000) 22.924 9.721 ( -4.326 8.945 0.000) 9.936 10.689 ( -0.297 -0.234 0.000) 0.378 10.855 ( 5.417 -8.690 0.000) 10.240 10.897 ( -7.727 -10.266 0.000) 12.849 11.180 ( 2.846 0.269 0.000) 2.858 11.803 ( -5.885 -5.999 0.000) 8.404 11.856 ( -13.333 -9.747 0.000) 16.516 12.403 ( -4.349 -4.474 0.000) 6.239 12.546 ( -1.495 -0.427 0.000) 1.555 12.674 ( -6.314 -3.986 0.000) 7.467 13.109 ( -14.792 10.059 0.000) 17.889 13.373 ( 3.764 -0.365 0.000) 3.781 13.598 ( 11.276 -12.755 0.000) 17.025 13.953 ( 0.110 1.578 0.000) 1.581 14.931 ( -12.505 4.417 0.000) 13.262 15.598 ( -9.687 -12.892 0.000) 16.126 16.012 ( 13.296 -6.587 0.000) 14.838 16.129 ( -10.026 -3.418 0.000) 10.592 17.232 ( 5.936 -6.246 0.000) 8.617 17.266 ( 1.637 -0.994 0.000) 1.915 17.740 ( -4.197 -15.546 0.000) 16.102 18.164 ( -12.925 -15.252 0.000) 19.992 18.576 ( -11.117 -13.679 0.000) 17.627 19.672 ( 3.070 -3.754 0.000) 4.849 20.605 ( -4.381 1.624 0.000) 4.673 23.198 ( 24.673 17.958 0.000) 30.516 24.765 ( 6.396 6.194 0.000) 8.904 25.092 ( -12.061 -5.030 0.000) 13.068 25.838 ( -13.654 -5.646 0.000) 14.776 ======================= Grid point 26 (14/63) ======================= q-point: ( 0.36 0.18 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 3.864 0.536 0.000) 3.901 1.830 ( 0.878 -5.760 0.000) 5.826 2.517 ( 15.927 -0.192 0.000) 15.928 2.556 ( 32.628 -22.422 0.000) 39.590 3.327 ( -13.514 -14.539 0.000) 19.850 3.681 ( 0.410 -4.387 0.000) 4.406 3.758 ( -0.208 0.031 0.000) 0.210 3.960 ( -3.373 -0.395 0.000) 3.396 4.000 ( 2.507 -2.335 0.000) 3.426 4.467 ( -9.905 -4.164 0.000) 10.745 5.714 ( 8.637 15.488 0.000) 17.734 6.022 ( -1.730 8.893 0.000) 9.060 6.403 ( 0.127 3.213 0.000) 3.216 6.706 ( -2.859 -3.950 0.000) 4.876 7.106 ( 13.347 19.094 0.000) 23.296 7.442 ( 1.321 -0.720 0.000) 1.505 7.681 ( -5.285 19.348 0.000) 20.057 7.835 ( 4.529 -0.777 0.000) 4.595 7.936 ( -8.692 3.112 0.000) 9.232 8.143 ( 3.393 -1.005 0.000) 3.538 8.615 ( -2.072 -6.114 0.000) 6.456 8.844 ( 27.160 -4.214 0.000) 27.485 8.851 ( -3.799 -1.547 0.000) 4.102 9.260 ( 5.585 -4.574 0.000) 7.219 9.616 ( -6.052 9.360 0.000) 11.146 9.857 ( 1.267 14.695 0.000) 14.749 10.676 ( 2.186 -1.176 0.000) 2.483 10.864 ( 2.273 -3.672 0.000) 4.319 10.987 ( 7.881 -10.596 0.000) 13.205 11.226 ( 2.232 -1.666 0.000) 2.786 11.597 ( -13.222 -9.701 0.000) 16.400 11.669 ( -8.462 -6.197 0.000) 10.489 12.372 ( 1.168 -0.076 0.000) 1.170 12.504 ( -2.716 0.636 0.000) 2.789 12.553 ( -5.476 -1.576 0.000) 5.698 12.835 ( -13.311 8.172 0.000) 15.619 13.450 ( 4.598 -3.723 0.000) 5.917 13.832 ( 12.990 -8.605 0.000) 15.582 13.891 ( -6.169 -4.344 0.000) 7.544 14.665 ( -14.704 4.040 0.000) 15.249 15.502 ( -0.099 -11.246 0.000) 11.246 15.936 ( -10.006 -3.434 0.000) 10.579 16.296 ( 15.944 -11.472 0.000) 19.643 17.210 ( -9.270 -6.929 0.000) 11.574 17.366 ( 7.689 -11.289 0.000) 13.659 17.715 ( 3.916 -22.969 0.000) 23.300 17.919 ( -12.180 -17.706 0.000) 21.491 18.345 ( -12.642 -19.200 0.000) 22.988 19.811 ( 10.404 2.368 0.000) 10.670 20.478 ( -8.690 3.450 0.000) 9.350 23.662 ( 23.432 12.554 0.000) 26.583 24.822 ( -15.913 -1.510 0.000) 15.985 24.895 ( 7.467 2.609 0.000) 7.909 25.558 ( -14.884 -4.540 0.000) 15.562 ======================= Grid point 27 (15/63) ======================= q-point: ( 0.45 0.18 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 5.803 -3.130 0.000) 6.593 1.790 ( -4.448 -5.252 0.000) 6.883 2.811 ( 14.401 -6.217 0.000) 15.685 3.072 ( -13.095 -11.324 0.000) 17.312 3.144 ( 27.427 -21.359 0.000) 34.763 3.572 ( -16.357 -12.580 0.000) 20.635 3.754 ( 5.536 -4.602 0.000) 7.199 3.878 ( -6.013 -3.285 0.000) 6.852 4.101 ( 7.556 -1.327 0.000) 7.671 4.273 ( -9.925 -2.165 0.000) 10.159 5.821 ( 5.130 13.300 0.000) 14.255 5.941 ( -6.605 16.996 0.000) 18.234 6.499 ( 7.643 -3.064 0.000) 8.234 6.627 ( -5.272 -2.228 0.000) 5.723 7.343 ( 11.386 19.469 0.000) 22.554 7.516 ( 5.821 -0.496 0.000) 5.842 7.541 ( -9.071 18.563 0.000) 20.661 7.664 ( -9.870 -1.423 0.000) 9.973 8.042 ( 7.721 5.776 0.000) 9.643 8.154 ( -3.100 5.425 0.000) 6.249 8.632 ( 4.209 -6.322 0.000) 7.595 8.747 ( -6.604 -4.041 0.000) 7.742 9.333 ( 23.216 -3.811 0.000) 23.527 9.376 ( 6.326 -0.701 0.000) 6.365 9.497 ( -6.251 5.341 0.000) 8.221 9.710 ( -15.121 1.900 0.000) 15.240 10.803 ( 8.160 4.488 0.000) 9.313 10.895 ( -0.741 2.229 0.000) 2.349 11.154 ( 9.612 -10.502 0.000) 14.237 11.296 ( 6.209 -4.562 0.000) 7.704 11.357 ( -11.545 -10.046 0.000) 15.304 11.475 ( -11.114 -5.766 0.000) 12.521 12.445 ( 6.245 3.491 0.000) 7.155 12.461 ( -0.969 2.755 0.000) 2.920 12.478 ( -2.517 2.367 0.000) 3.455 12.606 ( -10.337 6.163 0.000) 12.035 13.567 ( 7.745 -8.256 0.000) 11.320 13.737 ( -9.208 -8.644 0.000) 12.629 14.095 ( 14.297 -4.250 0.000) 14.915 14.378 ( -14.990 0.369 0.000) 14.994 15.577 ( 7.107 -8.770 0.000) 11.288 15.745 ( -9.753 -5.746 0.000) 11.319 16.617 ( 17.234 -13.991 0.000) 22.199 16.946 ( -16.470 -13.348 0.000) 21.200 17.523 ( 8.685 -14.985 0.000) 17.320 17.703 ( -10.207 -17.397 0.000) 20.170 17.870 ( 10.833 -22.399 0.000) 24.881 18.100 ( -12.620 -21.724 0.000) 25.124 20.039 ( 12.673 4.706 0.000) 13.519 20.279 ( -11.802 4.711 0.000) 12.708 24.095 ( 21.479 7.364 0.000) 22.706 24.485 ( -19.058 2.627 0.000) 19.238 25.062 ( 10.102 -0.957 0.000) 10.147 25.285 ( -13.093 -3.355 0.000) 13.516 ======================= Grid point 36 (16/63) ======================= q-point: ( 0.27 0.27 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -2.144 -2.144 0.000) 3.031 1.708 ( 1.365 1.365 0.000) 1.930 1.875 ( 5.660 5.660 0.000) 8.004 2.363 ( 8.564 8.564 0.000) 12.112 3.310 ( -13.985 -13.985 0.000) 19.777 3.635 ( -3.869 -3.869 0.000) 5.471 3.758 ( 2.231 2.231 0.000) 3.155 3.953 ( -0.860 -0.860 0.000) 1.216 3.997 ( -2.485 -2.485 0.000) 3.515 4.509 ( -7.839 -7.839 0.000) 11.086 5.789 ( 19.035 19.035 0.000) 26.919 6.020 ( -5.250 -5.250 0.000) 7.425 6.638 ( 1.831 1.831 0.000) 2.590 6.677 ( 5.971 5.971 0.000) 8.444 7.170 ( 17.981 17.981 0.000) 25.429 7.403 ( -6.044 -6.044 0.000) 8.547 7.738 ( 4.204 4.204 0.000) 5.946 8.017 ( -4.604 -4.604 0.000) 6.511 8.105 ( 0.745 0.745 0.000) 1.053 8.154 ( 10.904 10.904 0.000) 15.421 8.311 ( 10.687 10.687 0.000) 15.113 8.578 ( -4.503 -4.503 0.000) 6.368 8.911 ( 1.050 1.050 0.000) 1.485 9.116 ( -1.342 -1.342 0.000) 1.898 9.811 ( 0.371 0.371 0.000) 0.524 10.066 ( 18.462 18.462 0.000) 26.109 10.633 ( -13.386 -13.386 0.000) 18.930 10.725 ( 2.646 2.646 0.000) 3.743 10.761 ( -0.814 -0.814 0.000) 1.151 11.203 ( 1.171 1.171 0.000) 1.657 11.633 ( -13.006 -13.006 0.000) 18.393 11.686 ( -6.479 -6.479 0.000) 9.163 12.360 ( 0.212 0.212 0.000) 0.300 12.483 ( -4.646 -4.646 0.000) 6.570 12.595 ( -4.050 -4.050 0.000) 5.728 13.236 ( -3.901 -3.901 0.000) 5.516 13.421 ( 3.775 3.775 0.000) 5.339 13.427 ( 2.343 2.343 0.000) 3.313 13.911 ( -5.785 -5.785 0.000) 8.181 14.900 ( -7.880 -7.880 0.000) 11.144 15.375 ( -9.110 -9.110 0.000) 12.884 15.980 ( 3.441 3.441 0.000) 4.866 16.014 ( -8.281 -8.281 0.000) 11.711 17.164 ( -0.896 -0.896 0.000) 1.267 17.262 ( 0.197 0.197 0.000) 0.279 17.400 ( -18.102 -18.102 0.000) 25.600 17.856 ( -15.890 -15.890 0.000) 22.472 18.272 ( -16.508 -16.508 0.000) 23.345 19.724 ( 7.372 7.372 0.000) 10.425 20.594 ( -2.703 -2.703 0.000) 3.823 23.557 ( 18.820 18.820 0.000) 26.616 24.852 ( 3.369 3.369 0.000) 4.764 24.963 ( -8.426 -8.426 0.000) 11.917 25.671 ( -11.371 -11.371 0.000) 16.080 ======================= Grid point 37 (17/63) ======================= q-point: ( 0.36 0.27 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -1.076 -6.227 0.000) 6.319 1.709 ( -2.116 -6.544 0.000) 6.878 2.154 ( 22.159 -17.637 0.000) 28.321 2.543 ( 9.896 2.892 0.000) 10.310 3.075 ( -10.376 -10.756 0.000) 14.944 3.590 ( -2.384 -5.097 0.000) 5.627 3.639 ( -12.428 -12.504 0.000) 17.630 3.922 ( -5.585 -4.044 0.000) 6.895 3.976 ( 3.045 -0.440 0.000) 3.077 4.356 ( -8.031 -6.726 0.000) 10.476 5.941 ( 1.926 6.343 0.000) 6.629 6.171 ( 16.642 10.921 0.000) 19.906 6.585 ( -7.249 13.895 0.000) 15.672 6.755 ( 0.232 7.492 0.000) 7.496 7.367 ( 2.588 -5.742 0.000) 6.298 7.499 ( 15.789 21.189 0.000) 26.424 7.747 ( -4.032 -6.917 0.000) 8.006 7.877 ( -1.458 -10.544 0.000) 10.644 8.112 ( -6.358 24.821 0.000) 25.622 8.265 ( 7.378 12.947 0.000) 14.902 8.494 ( -2.838 -7.317 0.000) 7.848 8.754 ( 26.260 -5.160 0.000) 26.762 8.883 ( -5.015 5.778 0.000) 7.651 9.173 ( 8.078 -4.482 0.000) 9.238 9.751 ( -6.041 4.030 0.000) 7.262 10.123 ( -15.629 10.319 0.000) 18.728 10.615 ( 14.246 -6.020 0.000) 15.466 10.810 ( 5.279 -6.954 0.000) 8.731 10.812 ( 5.503 1.332 0.000) 5.662 11.210 ( -0.347 -0.577 0.000) 0.673 11.376 ( -13.235 -12.828 0.000) 18.432 11.543 ( -8.572 -6.929 0.000) 11.022 12.411 ( 5.020 4.177 0.000) 6.530 12.416 ( -1.592 -8.997 0.000) 9.137 12.527 ( -2.920 -1.096 0.000) 3.118 13.017 ( -13.694 10.864 0.000) 17.480 13.472 ( 1.206 4.837 0.000) 4.985 13.641 ( 15.060 -11.269 0.000) 18.809 13.750 ( -10.072 -9.602 0.000) 13.916 14.660 ( -15.963 -5.346 0.000) 16.834 15.286 ( 0.420 -10.262 0.000) 10.271 15.822 ( -11.326 -8.450 0.000) 14.131 16.118 ( 10.115 -6.082 0.000) 11.803 17.002 ( -19.382 -16.085 0.000) 25.187 17.186 ( 2.801 -6.959 0.000) 7.501 17.352 ( 5.821 -11.700 0.000) 13.068 17.581 ( -12.304 -16.352 0.000) 20.464 17.970 ( -14.675 -18.446 0.000) 23.572 19.907 ( 10.911 6.554 0.000) 12.728 20.501 ( -6.901 -0.956 0.000) 6.967 23.908 ( 17.574 12.597 0.000) 21.623 24.769 ( -11.642 -4.105 0.000) 12.344 24.916 ( 3.872 -0.006 0.000) 3.872 25.427 ( -13.166 -8.821 0.000) 15.848 ======================= Grid point 38 (18/63) ======================= q-point: ( 0.45 0.27 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 2.979 -10.368 0.000) 10.788 1.636 ( -4.762 -10.650 0.000) 11.666 2.665 ( 29.355 -27.395 0.000) 40.153 2.730 ( 9.252 -2.043 0.000) 9.475 2.898 ( -8.534 -6.298 0.000) 10.606 3.218 ( -26.537 -24.331 0.000) 36.003 3.652 ( 5.197 -5.481 0.000) 7.553 3.785 ( -7.914 -6.034 0.000) 9.952 4.066 ( 6.190 -2.154 0.000) 6.555 4.203 ( -7.761 -4.676 0.000) 9.061 6.072 ( 11.110 13.271 0.000) 17.307 6.312 ( -10.486 20.397 0.000) 22.934 6.512 ( 9.389 4.814 0.000) 10.552 6.691 ( -6.896 7.698 0.000) 10.335 7.461 ( 6.370 -4.633 0.000) 7.876 7.601 ( -8.105 -4.726 0.000) 9.382 7.767 ( 12.014 23.929 0.000) 26.776 7.965 ( -8.850 24.951 0.000) 26.474 8.009 ( 11.108 -10.338 0.000) 15.174 8.221 ( -9.430 -2.963 0.000) 9.885 8.571 ( 8.583 3.616 0.000) 9.314 8.743 ( -8.687 5.606 0.000) 10.339 9.256 ( 25.668 -4.298 0.000) 26.025 9.379 ( 11.921 0.475 0.000) 11.930 9.594 ( -9.964 3.934 0.000) 10.713 9.728 ( -23.208 -0.436 0.000) 23.212 10.874 ( 8.786 -0.542 0.000) 8.803 10.909 ( 3.503 1.902 0.000) 3.986 10.946 ( 8.636 -10.491 0.000) 13.588 11.138 ( -11.298 -12.262 0.000) 16.673 11.219 ( 3.071 -2.995 0.000) 4.290 11.361 ( -9.872 -5.522 0.000) 11.311 12.427 ( 2.265 -8.248 0.000) 8.553 12.477 ( -2.560 -2.659 0.000) 3.691 12.549 ( 9.256 7.494 0.000) 11.909 12.761 ( -12.515 10.194 0.000) 16.141 13.488 ( 1.555 0.933 0.000) 1.813 13.571 ( -7.393 -6.841 0.000) 10.072 13.963 ( 18.066 -9.961 0.000) 20.631 14.321 ( -18.684 -7.006 0.000) 19.954 15.383 ( 8.848 -10.961 0.000) 14.087 15.592 ( -12.128 -10.016 0.000) 15.729 16.350 ( 13.872 -12.598 0.000) 18.739 16.648 ( -17.110 -16.602 0.000) 23.841 17.262 ( 5.134 -11.331 0.000) 12.440 17.387 ( -8.031 -14.497 0.000) 16.573 17.502 ( 9.519 -14.943 0.000) 17.717 17.712 ( -12.205 -17.624 0.000) 21.437 20.125 ( 11.497 3.972 0.000) 12.164 20.336 ( -10.090 1.275 0.000) 10.170 24.231 ( 15.959 6.498 0.000) 17.231 24.520 ( -14.125 0.871 0.000) 14.152 25.018 ( 6.997 -3.388 0.000) 7.774 25.191 ( -10.940 -6.308 0.000) 12.629 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.36 0.36 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -6.776 -6.776 0.000) 9.582 1.562 ( -8.819 -8.819 0.000) 12.472 1.959 ( -0.619 -0.619 0.000) 0.876 2.622 ( 5.022 5.022 0.000) 7.102 2.920 ( -5.877 -5.877 0.000) 8.312 3.240 ( -26.645 -26.645 0.000) 37.682 3.540 ( -1.183 -1.183 0.000) 1.674 3.807 ( -7.457 -7.457 0.000) 10.546 3.983 ( 1.261 1.261 0.000) 1.784 4.226 ( -6.541 -6.541 0.000) 9.251 6.081 ( 10.748 10.748 0.000) 15.200 6.423 ( 13.568 13.568 0.000) 19.188 6.801 ( 4.251 4.251 0.000) 6.012 6.898 ( 4.547 4.547 0.000) 6.430 7.284 ( -0.728 -0.728 0.000) 1.030 7.619 ( -4.525 -4.525 0.000) 6.400 7.668 ( -8.625 -8.625 0.000) 12.198 7.897 ( 19.613 19.613 0.000) 27.737 8.284 ( -11.925 -11.925 0.000) 16.865 8.539 ( 11.973 11.973 0.000) 16.932 8.583 ( 12.563 12.563 0.000) 17.767 8.674 ( 7.971 7.971 0.000) 11.273 9.074 ( 0.268 0.268 0.000) 0.378 9.081 ( 7.695 7.695 0.000) 10.883 9.757 ( -3.466 -3.466 0.000) 4.902 10.074 ( -15.732 -15.732 0.000) 22.248 10.629 ( 8.685 8.685 0.000) 12.282 10.736 ( -0.708 -0.708 0.000) 1.002 10.892 ( 5.184 5.184 0.000) 7.331 11.125 ( -12.645 -12.645 0.000) 17.882 11.188 ( -1.626 -1.626 0.000) 2.300 11.408 ( -6.875 -6.875 0.000) 9.723 12.245 ( -6.918 -6.918 0.000) 9.783 12.476 ( -5.044 -5.044 0.000) 7.133 12.533 ( 8.481 8.481 0.000) 11.993 13.196 ( 1.292 1.292 0.000) 1.827 13.465 ( -0.236 -0.236 0.000) 0.334 13.567 ( 3.375 3.375 0.000) 4.773 13.576 ( -6.770 -6.770 0.000) 9.575 14.454 ( -15.525 -15.525 0.000) 21.955 15.148 ( -3.130 -3.130 0.000) 4.426 15.619 ( -12.272 -12.272 0.000) 17.355 16.077 ( 1.611 1.611 0.000) 2.279 16.651 ( -17.885 -17.885 0.000) 25.294 17.101 ( -1.997 -1.997 0.000) 2.824 17.253 ( -0.447 -0.447 0.000) 0.633 17.318 ( -10.668 -10.668 0.000) 15.086 17.659 ( -13.819 -13.819 0.000) 19.543 20.043 ( 7.487 7.487 0.000) 10.588 20.446 ( -4.618 -4.618 0.000) 6.531 24.138 ( 11.195 11.195 0.000) 15.831 24.665 ( -6.705 -6.705 0.000) 9.483 24.914 ( 0.348 0.348 0.000) 0.493 25.238 ( -10.240 -10.240 0.000) 14.482 ======================= Grid point 49 (20/63) ======================= q-point: ( 0.45 0.36 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.018 -12.216 0.000) 12.216 1.398 ( -7.182 -13.196 0.000) 15.023 2.159 ( 20.496 -22.849 0.000) 30.695 2.671 ( -30.451 -30.809 0.000) 43.318 2.725 ( 5.403 1.129 0.000) 5.520 2.823 ( -4.786 -2.213 0.000) 5.272 3.560 ( 3.319 -3.697 0.000) 4.969 3.662 ( -6.930 -6.301 0.000) 9.366 4.027 ( 3.397 -1.621 0.000) 3.764 4.111 ( -5.258 -4.499 0.000) 6.921 6.356 ( 16.779 16.525 0.000) 23.550 6.653 ( -0.317 11.193 0.000) 11.197 6.695 ( -2.191 16.156 0.000) 16.304 6.866 ( -7.163 9.025 0.000) 11.522 7.353 ( 6.188 -6.254 0.000) 8.797 7.488 ( -7.633 -7.390 0.000) 10.625 7.737 ( 12.650 -14.882 0.000) 19.532 8.019 ( -15.043 -14.746 0.000) 21.066 8.233 ( 15.058 23.825 0.000) 28.184 8.472 ( -9.928 26.932 0.000) 28.704 8.753 ( 10.296 12.093 0.000) 15.882 8.936 ( -8.603 12.502 0.000) 15.176 9.158 ( 27.397 -6.280 0.000) 28.107 9.371 ( 15.116 -1.631 0.000) 15.204 9.622 ( -10.403 -1.604 0.000) 10.526 9.665 ( -24.816 -7.122 0.000) 25.817 10.776 ( 4.633 -6.709 0.000) 8.153 10.814 ( 8.834 -2.912 0.000) 9.301 10.910 ( -9.314 -10.738 0.000) 14.215 10.934 ( -2.504 -1.356 0.000) 2.847 11.190 ( 3.084 0.289 0.000) 3.098 11.285 ( -5.911 -2.269 0.000) 6.332 12.201 ( 2.828 -12.841 0.000) 13.148 12.330 ( -8.997 -12.057 0.000) 15.044 12.736 ( 12.540 11.975 0.000) 17.339 13.002 ( -14.459 14.823 0.000) 20.707 13.527 ( 1.321 2.512 0.000) 2.839 13.576 ( -2.176 6.137 0.000) 6.511 13.711 ( 19.009 -15.826 0.000) 24.734 14.099 ( -20.370 -15.737 0.000) 25.741 15.185 ( 6.678 -8.683 0.000) 10.954 15.376 ( -12.240 -11.839 0.000) 17.029 16.166 ( 7.370 -6.192 0.000) 9.626 16.357 ( -12.579 -12.728 0.000) 17.895 17.100 ( 1.703 -5.623 0.000) 5.875 17.167 ( -5.408 -8.330 0.000) 9.932 17.300 ( 4.975 -6.449 0.000) 8.145 17.438 ( -9.287 -10.914 0.000) 14.331 20.190 ( 7.681 2.887 0.000) 8.206 20.333 ( -6.929 -1.382 0.000) 7.066 24.339 ( 9.849 4.822 0.000) 10.966 24.517 ( -8.561 -1.203 0.000) 8.645 24.949 ( 3.595 -3.267 0.000) 4.858 25.059 ( -7.824 -6.838 0.000) 10.391 ======================= Grid point 60 (21/63) ======================= q-point: ( 0.45 0.45 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 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -4.462 -4.462 0.000) 6.311 1.182 ( -7.657 -7.657 0.000) 10.828 1.900 ( -1.424 -1.424 0.000) 2.014 2.125 ( -23.010 -23.010 0.000) 32.541 2.757 ( 1.905 1.905 0.000) 2.694 2.791 ( -1.532 -1.532 0.000) 2.166 3.522 ( -0.050 -0.050 0.000) 0.070 3.560 ( -3.898 -3.898 0.000) 5.512 4.013 ( 0.271 0.271 0.000) 0.383 4.041 ( -2.653 -2.653 0.000) 3.752 6.692 ( 17.297 17.297 0.000) 24.462 6.856 ( 9.208 9.208 0.000) 13.021 6.904 ( 1.340 1.340 0.000) 1.895 6.974 ( 0.091 0.091 0.000) 0.128 7.253 ( -2.543 -2.543 0.000) 3.597 7.304 ( -8.739 -8.739 0.000) 12.359 7.575 ( 0.260 0.260 0.000) 0.367 7.731 ( -13.680 -13.680 0.000) 19.346 8.652 ( 18.959 18.959 0.000) 26.812 8.897 ( 3.179 3.179 0.000) 4.496 8.980 ( 10.796 10.796 0.000) 15.268 9.068 ( 9.707 9.707 0.000) 13.728 9.109 ( 0.789 0.789 0.000) 1.116 9.368 ( 4.977 4.977 0.000) 7.039 9.429 ( -17.378 -17.378 0.000) 24.576 9.526 ( -8.007 -8.007 0.000) 11.323 10.702 ( -0.787 -0.787 0.000) 1.113 10.749 ( -5.649 -5.649 0.000) 7.989 10.804 ( 1.904 1.904 0.000) 2.693 10.869 ( -4.224 -4.224 0.000) 5.973 11.222 ( 2.226 2.226 0.000) 3.148 11.256 ( -1.305 -1.305 0.000) 1.846 12.025 ( -3.503 -3.503 0.000) 4.954 12.094 ( -9.899 -9.899 0.000) 13.999 13.007 ( 15.945 15.945 0.000) 22.550 13.269 ( 1.543 1.543 0.000) 2.182 13.437 ( -0.704 -0.704 0.000) 0.995 13.615 ( 4.933 4.933 0.000) 6.977 13.659 ( 1.259 1.259 0.000) 1.780 13.746 ( -19.848 -19.848 0.000) 28.069 15.088 ( -0.494 -0.494 0.000) 0.699 15.171 ( -8.458 -8.458 0.000) 11.961 16.112 ( 0.362 0.362 0.000) 0.512 16.175 ( -6.243 -6.243 0.000) 8.829 17.039 ( -0.970 -0.970 0.000) 1.371 17.059 ( -3.149 -3.149 0.000) 4.453 17.239 ( -0.204 -0.204 0.000) 0.289 17.286 ( -5.057 -5.057 0.000) 7.151 20.242 ( 2.626 2.626 0.000) 3.714 20.292 ( -2.553 -2.553 0.000) 3.610 24.419 ( 3.575 3.575 0.000) 5.056 24.479 ( -2.616 -2.616 0.000) 3.700 24.912 ( -0.178 -0.178 0.000) 0.252 24.950 ( -4.088 -4.088 0.000) 5.782 ======================= Grid point 121 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.000 -0.000 27.160) 27.160 0.692 ( 0.000 0.000 27.160) 27.160 1.269 ( 0.000 0.000 8.382) 8.382 1.269 ( 0.000 0.000 8.382) 8.382 1.532 ( -0.000 -0.000 68.245) 68.245 3.900 ( -0.000 -0.000 9.092) 9.092 4.008 ( -0.000 -0.000 7.959) 7.959 4.126 ( 0.000 -0.000 -18.809) 18.809 4.126 ( -0.000 0.000 -18.809) 18.809 5.149 ( 0.000 -0.000 0.887) 0.887 5.149 ( 0.000 0.000 0.887) 0.887 5.306 ( 0.000 0.000 -30.345) 30.345 6.025 ( 0.000 0.000 -14.918) 14.918 6.580 ( -0.000 0.000 3.129) 3.129 6.580 ( 0.000 0.000 3.129) 3.129 6.943 ( 0.000 0.000 38.027) 38.027 6.968 ( 0.000 0.000 -22.068) 22.068 7.199 ( 0.000 0.000 -5.656) 5.656 7.199 ( 0.000 -0.000 -5.656) 5.656 8.136 ( 0.000 0.000 6.208) 6.208 8.136 ( 0.000 0.000 6.208) 6.208 8.895 ( 0.000 -0.000 3.030) 3.030 8.895 ( 0.000 0.000 3.030) 3.030 9.170 ( 0.000 0.000 -21.270) 21.270 9.435 ( 0.000 0.000 -3.028) 3.028 9.435 ( 0.000 0.000 -3.028) 3.028 10.836 ( -0.000 -0.000 5.133) 5.133 10.847 ( -0.000 -0.000 5.099) 5.099 11.837 ( 0.000 0.000 10.282) 10.282 12.282 ( 0.000 0.000 0.632) 0.632 12.282 ( 0.000 0.000 0.632) 0.632 12.489 ( -0.000 -0.000 -4.905) 4.905 12.916 ( 0.000 0.000 9.920) 9.920 13.020 ( -0.000 0.000 -0.829) 0.829 13.020 ( 0.000 -0.000 -0.829) 0.829 13.411 ( 0.000 0.000 7.598) 7.598 13.411 ( 0.000 0.000 7.598) 7.598 13.755 ( 0.000 0.000 -7.797) 7.797 15.502 ( 0.000 0.000 -7.536) 7.536 15.502 ( 0.000 0.000 -7.536) 7.536 15.587 ( 0.000 0.000 -0.308) 0.308 15.595 ( 0.000 0.000 -0.403) 0.403 17.047 ( 0.000 -0.000 -0.810) 0.810 17.047 ( 0.000 0.000 -0.810) 0.810 17.175 ( 0.000 0.000 2.777) 2.777 17.175 ( 0.000 0.000 2.777) 2.777 18.705 ( -0.000 -0.000 3.578) 3.578 19.046 ( 0.000 0.000 -3.528) 3.528 20.597 ( -0.000 -0.000 0.214) 0.214 20.634 ( 0.000 0.000 -0.539) 0.539 21.483 ( 0.000 0.000 0.680) 0.680 21.564 ( -0.000 -0.000 -1.037) 1.037 26.186 ( 0.000 0.000 1.589) 1.589 26.330 ( 0.000 0.000 -1.439) 1.439 ======================= Grid point 122 (23/63) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 17.293 0.000 20.345) 26.701 1.097 ( 31.975 0.000 10.868) 33.772 1.380 ( 11.353 0.000 9.865) 15.041 1.466 ( 19.193 0.000 11.637) 22.445 1.876 ( 30.453 0.000 53.727) 61.757 3.826 ( -6.685 0.000 -0.542) 6.707 3.998 ( 0.003 0.000 -0.849) 0.849 4.148 ( 1.289 0.000 -3.293) 3.536 4.280 ( 12.972 0.000 -7.987) 15.234 4.940 ( -13.274 0.000 -9.904) 16.561 5.177 ( -0.264 0.000 0.866) 0.905 5.471 ( 8.394 0.000 -22.291) 23.819 6.100 ( 7.764 0.000 -11.675) 14.021 6.629 ( 3.983 0.000 -2.728) 4.828 6.808 ( -4.144 0.000 -17.650) 18.130 6.858 ( 0.320 0.000 -22.061) 22.063 6.902 ( -0.775 0.000 32.081) 32.091 7.390 ( 17.264 0.000 1.028) 17.294 7.427 ( 27.937 0.000 -10.840) 29.967 8.111 ( -2.602 0.000 5.438) 6.029 8.209 ( 6.904 0.000 0.569) 6.928 8.840 ( -6.667 0.000 -0.299) 6.674 8.901 ( 0.601 0.000 2.424) 2.497 9.069 ( -7.082 0.000 -14.876) 16.475 9.405 ( -2.952 0.000 -2.575) 3.917 9.459 ( 1.207 0.000 -3.403) 3.610 10.830 ( -0.495 0.000 5.557) 5.579 10.874 ( 2.545 0.000 4.447) 5.124 11.720 ( -10.686 0.000 10.242) 14.802 12.225 ( -5.522 0.000 -0.745) 5.572 12.280 ( -4.041 0.000 3.603) 5.414 12.438 ( -5.181 0.000 -3.146) 6.062 12.807 ( -23.907 0.000 19.017) 30.548 12.909 ( -2.113 0.000 6.027) 6.387 12.972 ( -3.598 0.000 1.963) 4.099 13.387 ( -3.818 0.000 3.950) 5.494 13.486 ( 7.002 0.000 7.729) 10.429 13.780 ( -60.884 0.000 58.128) 84.177 13.814 ( 5.331 0.000 -3.195) 6.215 15.214 ( -18.653 0.000 -6.602) 19.787 15.784 ( 10.523 0.000 -1.581) 10.641 16.268 ( 10.803 0.000 -11.065) 15.464 16.809 ( -11.008 0.000 -4.004) 11.714 16.851 ( -22.031 0.000 1.335) 22.071 17.125 ( 7.760 0.000 0.580) 7.782 17.290 ( 14.706 0.000 -1.843) 14.821 18.696 ( -1.461 0.000 2.932) 3.275 19.007 ( -3.977 0.000 -3.454) 5.268 20.572 ( -2.676 0.000 0.169) 2.682 20.589 ( -4.920 0.000 0.289) 4.928 21.727 ( 23.270 0.000 3.865) 23.589 22.816 ( 68.540 0.000 -50.691) 85.248 25.994 ( -15.480 0.000 11.104) 19.051 26.270 ( -6.184 0.000 -1.683) 6.409 ======================= Grid point 123 (24/63) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 18.736 0.000 10.603) 21.528 1.626 ( 20.310 0.000 -0.432) 20.315 1.701 ( 21.815 0.000 11.555) 24.686 1.991 ( 34.058 0.000 13.572) 36.663 2.531 ( 35.120 0.000 34.866) 49.488 3.676 ( -8.224 0.000 -6.976) 10.784 3.991 ( -0.912 0.000 -2.676) 2.827 4.158 ( -0.143 0.000 14.936) 14.936 4.572 ( 15.077 0.000 -5.493) 16.046 4.688 ( -13.233 0.000 -11.044) 17.236 5.119 ( -3.913 0.000 6.930) 7.958 5.577 ( 3.169 0.000 -21.497) 21.729 6.293 ( 11.011 0.000 -7.678) 13.423 6.555 ( -14.061 0.000 -12.800) 19.015 6.703 ( 4.034 0.000 -2.195) 4.593 6.910 ( 3.762 0.000 -19.282) 19.646 6.963 ( 6.259 0.000 15.577) 16.787 7.816 ( 25.665 0.000 4.309) 26.024 7.904 ( 12.835 0.000 -12.043) 17.601 8.045 ( -3.403 0.000 3.652) 4.991 8.422 ( 15.689 0.000 -13.317) 20.579 8.602 ( -16.746 0.000 -10.113) 19.562 8.914 ( 0.547 0.000 0.609) 0.818 9.005 ( 0.738 0.000 -5.825) 5.872 9.334 ( -3.830 0.000 -1.112) 3.989 9.472 ( 0.634 0.000 0.294) 0.699 10.822 ( -0.193 0.000 6.240) 6.243 10.922 ( 1.674 0.000 3.078) 3.504 11.491 ( -11.219 0.000 10.693) 15.499 11.956 ( -21.476 0.000 32.642) 39.073 12.085 ( -8.747 0.000 -3.943) 9.595 12.298 ( -8.989 0.000 0.446) 9.000 12.521 ( -3.698 0.000 12.988) 13.504 12.775 ( -9.735 0.000 -0.836) 9.771 12.948 ( -0.883 0.000 8.106) 8.154 13.128 ( -13.720 0.000 14.510) 19.969 13.462 ( 0.708 0.000 0.803) 1.071 13.631 ( 6.709 0.000 5.596) 8.737 13.951 ( 8.322 0.000 5.534) 9.994 14.883 ( -14.310 0.000 -6.025) 15.526 15.986 ( 9.472 0.000 -1.911) 9.663 16.208 ( -9.918 0.000 -3.143) 10.404 16.375 ( -22.760 0.000 0.860) 22.776 16.864 ( 9.906 0.000 -17.322) 19.955 17.324 ( 12.208 0.000 3.661) 12.746 17.632 ( 18.961 0.000 -3.419) 19.267 18.636 ( -4.818 0.000 1.941) 5.194 18.901 ( -6.829 0.000 -3.302) 7.586 20.454 ( -8.710 0.000 1.900) 8.914 20.493 ( -5.558 0.000 0.057) 5.559 22.274 ( 31.339 0.000 8.056) 32.357 23.711 ( 30.660 0.000 -36.381) 47.577 25.690 ( -15.772 0.000 13.436) 20.719 26.101 ( -11.056 0.000 -2.293) 11.291 ======================= Grid point 124 (25/63) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 11.072 0.000 11.820) 16.195 1.908 ( 9.683 0.000 2.322) 9.957 2.172 ( 25.397 0.000 9.446) 27.096 2.650 ( 32.415 0.000 5.809) 32.932 3.149 ( 27.201 0.000 15.182) 31.151 3.534 ( -6.030 0.000 -8.284) 10.246 3.971 ( -0.625 0.000 -0.605) 0.870 4.137 ( -3.311 0.000 20.681) 20.944 4.439 ( -11.021 0.000 -4.377) 11.858 4.701 ( -2.731 0.000 1.150) 2.963 5.170 ( 9.880 0.000 5.655) 11.384 5.610 ( 0.486 0.000 -16.501) 16.508 6.344 ( -6.143 0.000 -9.640) 11.431 6.491 ( 9.433 0.000 -6.522) 11.468 6.800 ( 6.040 0.000 3.564) 7.013 7.031 ( 7.817 0.000 -17.923) 19.554 7.093 ( 6.095 0.000 -5.896) 8.480 7.939 ( -4.100 0.000 2.969) 5.062 7.943 ( -6.101 0.000 -5.293) 8.077 8.255 ( -16.183 0.000 -10.117) 19.085 8.385 ( 28.557 0.000 2.362) 28.655 8.660 ( 4.210 0.000 -17.360) 17.863 8.910 ( -0.872 0.000 -0.832) 1.205 9.112 ( 10.056 0.000 -5.647) 11.533 9.292 ( 0.429 0.000 1.401) 1.465 9.511 ( 4.460 0.000 3.997) 5.989 10.825 ( 0.452 0.000 6.221) 6.238 10.916 ( -2.300 0.000 2.130) 3.135 11.353 ( -2.857 0.000 8.086) 8.576 11.655 ( -10.567 0.000 25.970) 28.038 11.898 ( -10.416 0.000 -6.137) 12.089 12.107 ( -10.704 0.000 2.451) 10.981 12.467 ( -3.279 0.000 4.821) 5.831 12.593 ( -8.301 0.000 -0.262) 8.305 12.884 ( -6.492 0.000 9.656) 11.636 12.910 ( -9.782 0.000 11.287) 14.936 13.505 ( 3.250 0.000 -7.269) 7.963 13.712 ( 1.824 0.000 -1.559) 2.399 14.122 ( 9.128 0.000 12.201) 15.238 14.692 ( -5.992 0.000 1.635) 6.211 15.881 ( -15.021 0.000 -6.350) 16.308 16.012 ( -9.776 0.000 -6.904) 11.968 16.330 ( 13.648 0.000 3.844) 14.179 17.060 ( 9.493 0.000 -15.263) 17.974 17.561 ( 11.603 0.000 5.889) 13.012 17.974 ( 15.722 0.000 -4.850) 16.453 18.519 ( -6.828 0.000 1.946) 7.100 18.763 ( -6.911 0.000 -3.083) 7.568 20.270 ( -9.993 0.000 2.937) 10.416 20.360 ( -8.121 0.000 -0.096) 8.121 22.878 ( 30.843 0.000 8.999) 32.129 24.162 ( 18.431 0.000 -24.194) 30.414 25.382 ( -16.444 0.000 12.099) 20.416 25.857 ( -14.052 0.000 -3.076) 14.385 ======================= Grid point 125 (26/63) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 7.394 0.000 12.692) 14.689 2.008 ( 0.878 0.000 5.179) 5.253 2.630 ( 21.677 0.000 5.919) 22.470 3.173 ( 18.960 0.000 -2.938) 19.186 3.468 ( 1.075 0.000 -6.271) 6.362 3.511 ( 10.345 0.000 -4.443) 11.259 3.966 ( -12.763 0.000 6.983) 14.548 3.978 ( 0.352 0.000 3.518) 3.535 4.358 ( 1.822 0.000 16.285) 16.386 4.612 ( -4.289 0.000 14.189) 14.823 5.344 ( 6.801 0.000 -0.398) 6.813 5.601 ( -1.322 0.000 -9.219) 9.313 6.367 ( 8.032 0.000 -7.880) 11.252 6.654 ( 7.156 0.000 -9.125) 11.596 6.922 ( 6.245 0.000 7.913) 10.081 7.150 ( 3.168 0.000 -14.633) 14.972 7.168 ( 1.936 0.000 -17.320) 17.428 7.708 ( -15.861 0.000 -6.651) 17.199 7.886 ( -0.913 0.000 1.403) 1.674 8.048 ( -6.347 0.000 -5.997) 8.732 8.644 ( -3.192 0.000 -14.234) 14.588 8.720 ( 0.344 0.000 -9.896) 9.902 9.021 ( 15.926 0.000 2.700) 16.154 9.268 ( 4.380 0.000 -6.961) 8.224 9.383 ( 10.217 0.000 6.613) 12.170 9.671 ( 10.918 0.000 7.167) 13.060 10.834 ( 0.237 0.000 5.341) 5.347 10.857 ( -3.245 0.000 2.686) 4.213 11.343 ( 0.795 0.000 5.604) 5.660 11.530 ( -2.431 0.000 15.866) 16.051 11.695 ( -10.494 0.000 -4.801) 11.540 11.896 ( -10.968 0.000 1.815) 11.117 12.394 ( -3.737 0.000 2.341) 4.409 12.474 ( -4.263 0.000 1.594) 4.551 12.706 ( -10.519 0.000 11.113) 15.302 12.742 ( -7.771 0.000 11.141) 13.583 13.579 ( 4.202 0.000 -10.602) 11.404 13.724 ( -0.142 0.000 -8.182) 8.183 14.289 ( 7.972 0.000 16.141) 18.003 14.608 ( -3.844 0.000 11.485) 12.111 15.682 ( -5.211 0.000 -8.396) 9.882 15.843 ( -7.629 0.000 -9.026) 11.818 16.631 ( 16.577 0.000 2.793) 16.810 17.196 ( 3.576 0.000 -10.909) 11.480 17.749 ( 8.046 0.000 4.868) 9.405 18.174 ( 1.817 0.000 -7.545) 7.760 18.431 ( 0.978 0.000 4.154) 4.267 18.659 ( -3.498 0.000 -2.319) 4.197 20.094 ( -7.666 0.000 2.657) 8.114 20.193 ( -8.824 0.000 -0.174) 8.825 23.448 ( 28.407 0.000 7.564) 29.396 24.443 ( 9.492 0.000 -17.678) 20.065 25.078 ( -13.235 0.000 10.767) 17.062 25.572 ( -15.332 0.000 -3.935) 15.829 ======================= Grid point 126 (27/63) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 7.120 0.000 10.654) 12.814 1.959 ( -5.298 0.000 7.826) 9.450 2.995 ( 16.253 0.000 -1.301) 16.305 3.236 ( -7.755 0.000 -10.789) 13.287 3.618 ( 3.053 0.000 -6.304) 7.004 3.637 ( 6.830 0.000 2.808) 7.385 3.786 ( -0.534 0.000 -0.919) 1.063 3.921 ( -6.772 0.000 0.569) 6.796 4.435 ( 5.203 0.000 21.703) 22.318 4.534 ( -4.599 0.000 21.158) 21.652 5.463 ( 6.011 0.000 -2.046) 6.349 5.557 ( -3.455 0.000 -3.942) 5.242 6.570 ( 10.820 0.000 -8.615) 13.831 6.714 ( -2.533 0.000 -11.388) 11.666 7.034 ( 5.705 0.000 4.858) 7.493 7.136 ( -4.010 0.000 -7.791) 8.762 7.231 ( 6.467 0.000 -14.819) 16.169 7.423 ( -12.898 0.000 -7.752) 15.048 7.902 ( 2.154 0.000 -1.435) 2.588 7.958 ( -3.598 0.000 -3.310) 4.889 8.603 ( -0.139 0.000 -13.077) 13.078 8.648 ( -4.357 0.000 -11.135) 11.957 9.238 ( 6.034 0.000 -6.323) 8.741 9.298 ( -0.709 0.000 -7.483) 7.516 9.666 ( 14.990 0.000 11.598) 18.953 9.815 ( 1.038 0.000 9.718) 9.773 10.812 ( -0.791 0.000 4.118) 4.193 10.825 ( -1.201 0.000 4.446) 4.605 11.382 ( 3.896 0.000 2.768) 4.779 11.506 ( -8.732 0.000 -1.248) 8.821 11.558 ( 4.863 0.000 7.638) 9.054 11.698 ( -9.244 0.000 3.011) 9.722 12.350 ( -0.184 0.000 2.677) 2.683 12.397 ( -4.311 0.000 3.223) 5.382 12.571 ( -1.684 0.000 10.628) 10.761 12.616 ( -5.071 0.000 10.483) 11.645 13.656 ( 3.595 0.000 -11.522) 12.070 13.708 ( -1.689 0.000 -10.882) 11.012 14.423 ( 6.029 0.000 17.374) 18.390 14.525 ( -4.777 0.000 16.250) 16.938 15.656 ( 1.620 0.000 -9.407) 9.546 15.722 ( -4.966 0.000 -9.552) 10.766 16.939 ( 14.690 0.000 0.592) 14.702 17.161 ( -7.390 0.000 -4.151) 8.476 17.899 ( 8.302 0.000 -0.342) 8.309 18.069 ( -8.829 0.000 -4.436) 9.880 18.534 ( 5.995 0.000 1.453) 6.168 18.613 ( -2.391 0.000 -0.536) 2.450 20.002 ( -1.365 0.000 1.366) 1.931 20.046 ( -5.648 0.000 0.204) 5.652 23.965 ( 25.134 0.000 4.776) 25.584 24.383 ( -16.209 0.000 -2.530) 16.405 25.030 ( 8.840 0.000 -0.615) 8.862 25.278 ( -14.928 0.000 -4.393) 15.561 ======================= Grid point 133 (28/63) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 14.111 14.111 14.301) 24.551 1.189 ( 16.567 16.567 17.132) 29.024 1.428 ( 7.298 7.298 10.542) 14.753 1.630 ( 14.487 14.487 13.124) 24.330 2.219 ( 28.982 28.982 38.454) 56.202 3.781 ( -4.766 -4.766 -2.928) 7.348 3.953 ( -2.365 -2.365 -3.912) 5.147 4.194 ( 1.228 1.228 3.958) 4.322 4.382 ( 11.372 11.372 -5.134) 16.882 4.935 ( -4.797 -4.797 -9.019) 11.285 4.985 ( -10.811 -10.811 -3.064) 15.594 5.666 ( 12.575 12.575 -16.279) 24.110 6.136 ( 3.649 3.649 -13.534) 14.484 6.702 ( 3.555 3.555 0.204) 5.032 6.712 ( -8.745 -8.745 -17.490) 21.421 6.894 ( 2.673 2.673 27.247) 27.508 6.921 ( 6.196 6.196 -25.203) 26.683 7.428 ( 9.143 9.143 0.763) 12.952 7.687 ( 16.955 16.955 -9.497) 25.790 8.160 ( 1.137 1.137 7.064) 7.245 8.217 ( 5.623 5.623 -6.245) 10.112 8.813 ( -6.274 -6.274 -4.357) 9.885 8.874 ( -0.565 -0.565 0.632) 1.019 9.011 ( -4.084 -4.084 -9.528) 11.142 9.340 ( -2.499 -2.499 0.651) 3.594 9.537 ( 3.399 3.399 -6.388) 7.995 10.802 ( -1.541 -1.541 5.230) 5.666 10.920 ( 3.251 3.251 5.080) 6.852 11.633 ( -8.592 -8.592 10.334) 15.950 12.037 ( -14.398 -14.398 10.983) 23.135 12.322 ( -3.661 -3.661 -5.554) 7.593 12.456 ( -22.263 -22.263 30.811) 44.053 12.461 ( 2.569 2.569 1.580) 3.962 12.873 ( -4.627 -4.627 5.462) 8.524 13.081 ( 2.219 2.219 -2.130) 3.793 13.343 ( -17.582 -17.582 35.441) 43.294 13.428 ( 1.387 1.387 8.873) 9.087 13.513 ( -4.369 -4.369 2.511) 6.670 13.861 ( 5.512 5.512 6.496) 10.147 15.267 ( -11.474 -11.474 -4.052) 16.724 15.576 ( 3.542 3.542 -7.163) 8.740 16.293 ( -2.518 -2.518 -3.235) 4.811 16.514 ( -13.452 -13.452 -11.996) 22.490 17.087 ( 1.857 1.857 -0.565) 2.686 17.195 ( 0.933 0.933 1.980) 2.379 17.357 ( 14.765 14.765 0.991) 20.904 18.667 ( -2.901 -2.901 2.352) 4.729 18.966 ( -4.228 -4.228 -3.317) 6.838 20.324 ( -14.686 -14.686 2.168) 20.881 20.633 ( 0.362 0.362 -0.433) 0.670 21.870 ( 19.235 19.235 -0.629) 27.210 23.409 ( 38.721 38.721 -43.155) 69.721 25.862 ( -11.093 -11.093 12.727) 20.202 26.250 ( -3.829 -3.829 -2.286) 5.878 ======================= Grid point 134 (29/63) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 14.010 8.536 8.008) 18.256 1.615 ( 19.495 1.166 7.073) 20.771 1.705 ( 23.250 -1.328 13.721) 27.029 1.975 ( 21.661 4.867 16.902) 27.903 2.815 ( 30.464 22.401 21.883) 43.689 3.659 ( -7.113 -1.857 -7.279) 10.345 3.918 ( -1.595 -5.641 -1.963) 6.182 4.195 ( -0.690 1.952 14.565) 14.712 4.625 ( 5.636 2.362 -11.467) 12.994 4.652 ( -12.406 -3.843 -0.579) 13.000 4.974 ( 5.559 -6.509 2.847) 9.021 5.812 ( 1.855 18.823 -15.604) 24.520 6.246 ( 6.150 -5.031 -11.255) 13.778 6.525 ( -7.375 -2.034 -14.694) 16.567 6.746 ( 2.456 0.985 4.752) 5.439 6.971 ( 5.600 11.128 -9.880) 15.900 7.100 ( 9.214 10.287 -2.335) 14.006 7.738 ( 18.408 -3.474 -3.487) 19.055 7.888 ( 6.397 -0.441 2.852) 7.018 8.162 ( 1.583 5.862 5.322) 8.074 8.448 ( 12.896 3.568 -14.589) 19.796 8.576 ( -15.658 -3.357 -10.919) 19.382 8.888 ( 1.052 -2.229 -1.975) 3.159 8.971 ( 0.584 -2.836 -3.869) 4.833 9.336 ( 2.068 2.335 0.700) 3.197 9.561 ( -0.492 6.320 -4.422) 7.729 10.784 ( -0.367 -2.534 5.340) 5.922 10.970 ( 1.180 3.525 5.157) 6.357 11.431 ( -10.296 -6.180 10.700) 16.084 11.726 ( -14.593 -16.824 28.138) 35.886 12.098 ( -11.974 -2.767 5.695) 13.545 12.217 ( -8.972 -8.651 1.772) 12.589 12.513 ( 0.726 2.983 2.311) 3.843 12.727 ( -9.169 -7.501 2.953) 12.209 13.018 ( -5.293 5.754 7.904) 11.118 13.127 ( -8.725 -1.139 12.642) 15.403 13.403 ( -0.573 -2.944 -0.535) 3.046 13.578 ( 6.086 -5.832 0.572) 8.449 14.008 ( 8.746 5.939 12.930) 16.701 14.949 ( -14.852 4.106 -8.763) 17.727 15.821 ( 14.894 -12.253 -4.961) 19.914 16.103 ( -15.868 -8.761 0.192) 18.127 16.285 ( -10.439 -4.134 -9.811) 14.910 17.099 ( -1.509 12.523 -4.317) 13.332 17.225 ( 9.696 -5.777 0.689) 11.307 17.697 ( 15.810 3.832 -0.630) 16.280 18.582 ( -5.993 -5.343 2.100) 8.299 18.855 ( -6.933 -4.669 -3.175) 8.941 20.087 ( -10.205 -23.164 1.877) 25.382 20.613 ( -2.595 3.123 -0.429) 4.083 22.381 ( 30.758 13.285 3.340) 33.670 23.980 ( 21.476 20.505 -29.123) 41.592 25.624 ( -13.322 -6.260 12.406) 19.250 26.105 ( -10.777 -0.935 -2.495) 11.102 ======================= Grid point 135 (30/63) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 9.191 2.907 9.573) 13.586 1.903 ( 10.111 -0.363 6.302) 11.920 2.176 ( 23.935 -0.719 7.755) 25.171 2.481 ( 29.547 -10.967 13.745) 34.384 3.296 ( 15.797 8.359 2.440) 18.038 3.548 ( -2.282 2.525 -5.580) 6.536 3.897 ( 0.274 -6.059 2.636) 6.613 4.148 ( -6.121 -0.418 13.913) 15.206 4.381 ( -8.399 -4.795 6.428) 11.613 4.667 ( -3.424 -3.794 -2.059) 5.510 5.217 ( 15.385 6.919 3.234) 17.177 5.783 ( -3.439 14.345 -12.905) 19.600 6.248 ( -2.689 -4.261 -12.551) 13.524 6.559 ( 7.989 1.804 -9.985) 12.914 6.823 ( 5.229 0.952 4.622) 7.044 7.084 ( 5.409 8.209 -18.719) 21.143 7.248 ( 5.953 13.265 -4.417) 15.196 7.815 ( -1.150 -4.414 1.287) 4.739 8.062 ( -2.715 4.719 0.818) 5.505 8.219 ( -13.750 -3.187 -9.072) 16.779 8.414 ( 23.932 2.052 3.401) 24.260 8.595 ( 0.241 -5.409 -13.771) 14.797 8.894 ( 0.211 -1.824 -1.788) 2.563 9.086 ( 10.179 -2.561 -6.556) 12.375 9.391 ( 2.173 9.564 -1.036) 9.863 9.567 ( 3.465 5.289 1.019) 6.405 10.783 ( -0.019 -2.824 5.115) 5.842 10.946 ( -2.969 1.596 4.620) 5.719 11.318 ( -1.455 -3.654 7.452) 8.426 11.514 ( -7.919 -11.981 22.915) 27.043 11.894 ( -10.239 -1.496 -1.599) 10.470 12.031 ( -9.852 -7.201 3.370) 12.660 12.478 ( -3.664 0.055 0.486) 3.697 12.571 ( -7.085 -0.943 1.642) 7.333 12.900 ( -8.958 0.613 15.528) 17.937 12.947 ( -7.657 2.670 3.703) 8.914 13.439 ( 3.560 -5.378 -4.369) 7.791 13.671 ( 3.196 -3.104 -1.901) 4.843 14.166 ( 7.254 3.358 15.341) 17.299 14.736 ( -7.821 3.529 -3.855) 9.407 15.791 ( -14.035 -8.003 -3.248) 16.480 15.998 ( -3.846 -2.640 -9.333) 10.434 16.213 ( 10.320 -8.961 -0.345) 13.672 17.135 ( 3.932 5.408 -9.103) 11.295 17.443 ( 11.678 -9.937 3.239) 15.671 17.925 ( 7.695 -7.125 -3.297) 10.993 18.444 ( -8.056 -7.645 3.100) 11.530 18.723 ( -6.202 -4.487 -2.809) 8.154 19.929 ( -5.946 -20.410 1.644) 21.322 20.527 ( -6.475 6.230 -0.070) 8.986 22.976 ( 30.276 10.510 6.801) 32.762 24.303 ( 13.502 11.772 -21.035) 27.629 25.351 ( -14.963 -3.175 11.259) 18.993 25.858 ( -14.494 -0.580 -2.991) 14.810 ======================= Grid point 136 (31/63) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 7.035 0.939 11.432) 13.456 2.005 ( 0.975 -0.471 7.332) 7.412 2.607 ( 20.462 -2.079 5.889) 21.393 3.025 ( 24.997 -13.760 3.425) 28.739 3.340 ( -4.407 -7.718 -11.063) 14.191 3.619 ( 4.932 4.370 -4.492) 7.975 3.941 ( -3.635 -3.779 -0.602) 5.278 3.960 ( -5.120 -0.337 12.738) 13.732 4.339 ( 1.841 -1.637 18.016) 18.183 4.581 ( -4.643 -3.376 9.770) 11.332 5.442 ( 7.639 9.703 -0.917) 12.383 5.706 ( -4.422 10.124 -9.443) 14.533 6.297 ( 8.177 -4.030 -9.755) 13.352 6.681 ( 2.534 -2.394 -11.702) 12.210 6.936 ( 7.013 3.151 6.538) 10.092 7.176 ( 5.038 6.706 -16.671) 18.662 7.318 ( 0.968 12.275 -8.096) 14.736 7.760 ( -11.292 4.731 -5.039) 13.239 7.875 ( -3.005 -0.631 -0.279) 3.083 8.086 ( -3.949 3.363 -3.280) 6.137 8.552 ( -2.413 -7.258 -12.212) 14.409 8.719 ( 0.550 -0.549 -9.845) 9.875 9.048 ( 17.530 -0.140 3.902) 17.960 9.256 ( 6.042 -0.887 -5.806) 8.426 9.422 ( 4.143 4.298 2.496) 6.471 9.719 ( 10.015 5.626 5.066) 12.555 10.770 ( -1.012 -3.573 4.091) 5.525 10.905 ( -1.009 1.742 4.014) 4.491 11.319 ( 0.200 -2.115 5.474) 5.872 11.423 ( -1.190 -9.496 12.872) 16.040 11.694 ( -10.285 -1.741 -0.882) 10.468 11.851 ( -8.951 -3.956 3.785) 10.493 12.404 ( -4.036 -0.733 -0.117) 4.104 12.444 ( -5.617 0.060 -0.659) 5.656 12.715 ( -8.276 1.756 14.960) 17.186 12.814 ( -7.000 4.070 9.298) 12.330 13.525 ( 5.214 -4.811 -6.814) 9.837 13.707 ( 0.800 -1.039 -7.560) 7.673 14.285 ( 5.266 -1.392 16.707) 17.572 14.611 ( -6.109 0.296 5.683) 8.349 15.614 ( -4.070 -6.248 -6.597) 9.956 15.855 ( -7.875 0.375 -9.209) 12.122 16.507 ( 16.970 -11.674 -0.094) 20.598 17.188 ( -0.087 -1.375 -8.398) 8.510 17.639 ( 8.397 -10.485 3.977) 14.009 18.013 ( 1.934 -15.675 -6.830) 17.207 18.295 ( -5.770 -12.370 4.179) 14.275 18.616 ( -5.683 -7.551 -1.126) 9.517 19.880 ( 1.254 -9.853 1.004) 9.983 20.368 ( -9.826 8.167 0.277) 12.780 23.529 ( 27.203 8.111 7.005) 29.238 24.508 ( 6.315 5.645 -15.966) 18.074 25.075 ( -11.815 -0.589 9.717) 15.308 25.565 ( -15.533 -0.986 -3.749) 16.009 ======================= Grid point 137 (32/63) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 6.901 0.445 10.644) 12.694 1.962 ( -4.906 -0.131 8.816) 10.090 2.949 ( 14.867 -4.247 0.303) 15.465 3.174 ( -8.417 -5.991 -8.643) 13.470 3.452 ( 14.671 -11.921 -1.246) 18.945 3.681 ( -6.774 -2.076 -1.474) 7.237 3.777 ( 3.573 -0.640 -1.116) 3.798 3.928 ( -6.199 0.681 2.274) 6.638 4.410 ( 4.785 -2.930 20.755) 21.500 4.498 ( -4.253 -3.735 18.275) 19.131 5.546 ( 4.124 8.237 -3.639) 9.904 5.622 ( -4.090 6.976 -6.246) 10.218 6.489 ( 9.790 -5.518 -8.756) 14.246 6.640 ( -5.664 -7.140 -10.151) 13.642 7.104 ( 9.622 8.197 3.127) 13.021 7.260 ( -4.449 10.474 -2.731) 11.703 7.311 ( 6.553 7.644 -13.418) 16.775 7.501 ( -12.222 6.277 -9.318) 16.601 7.915 ( 3.937 2.027 -0.851) 4.509 8.002 ( -4.761 4.354 -2.597) 6.955 8.550 ( 2.643 -4.584 -13.048) 14.080 8.640 ( -5.829 -1.540 -12.165) 13.577 9.264 ( 4.621 0.672 -6.136) 7.711 9.302 ( -0.129 1.397 -6.171) 6.328 9.645 ( 15.075 -1.642 12.116) 19.410 9.827 ( -1.638 1.633 9.481) 9.759 10.788 ( 3.691 -0.657 2.791) 4.674 10.873 ( -3.350 2.807 3.297) 5.475 11.334 ( 2.493 -4.743 2.892) 6.089 11.414 ( -3.466 -7.557 0.708) 8.345 11.565 ( 0.661 -1.064 6.526) 6.645 11.681 ( -8.574 -1.557 5.316) 10.208 12.338 ( -1.492 -0.595 -1.315) 2.076 12.362 ( -3.365 -1.629 0.281) 3.749 12.631 ( -0.074 5.073 14.022) 14.911 12.690 ( -5.391 5.460 12.498) 14.666 13.627 ( 4.930 -3.055 -8.741) 10.490 13.697 ( -2.077 -0.984 -9.732) 9.999 14.380 ( 5.099 -4.649 15.642) 17.097 14.490 ( -6.263 -3.346 12.043) 13.980 15.617 ( 3.469 -3.817 -8.188) 9.677 15.717 ( -6.436 -0.999 -8.696) 10.864 16.829 ( 15.871 -10.994 -1.346) 19.354 17.089 ( -10.213 -7.674 -4.291) 13.476 17.790 ( 8.198 -10.559 0.106) 13.368 17.952 ( -7.698 -11.437 -3.797) 14.300 18.316 ( 7.212 -18.864 1.443) 20.247 18.480 ( -8.432 -14.998 0.152) 17.206 19.975 ( 8.108 1.323 0.518) 8.232 20.164 ( -10.859 7.152 0.395) 13.008 24.020 ( 23.714 5.345 4.777) 24.774 24.417 ( -15.838 3.163 -1.840) 16.255 25.038 ( 8.256 0.551 -1.108) 8.349 25.274 ( -14.465 -0.691 -4.259) 15.095 ======================= Grid point 145 (33/63) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 6.901 6.901 1.976) 9.957 1.731 ( 10.523 10.523 17.146) 22.704 1.758 ( 9.007 9.007 15.232) 19.856 2.152 ( 11.849 11.849 14.636) 22.250 3.220 ( 16.157 16.157 5.462) 23.493 3.614 ( -1.407 -1.407 -5.365) 5.721 3.816 ( -4.536 -4.536 -1.003) 6.493 4.203 ( -1.706 -1.706 13.958) 14.165 4.444 ( -12.042 -12.042 10.931) 20.236 4.634 ( -2.841 -2.841 -12.701) 13.321 5.097 ( 16.339 16.339 4.200) 23.486 6.094 ( -5.586 -5.586 -13.229) 15.409 6.192 ( 14.125 14.125 -12.600) 23.618 6.479 ( -2.566 -2.566 -17.878) 18.243 6.768 ( 2.954 2.954 6.293) 7.553 7.247 ( 5.252 5.252 -27.691) 28.670 7.264 ( 12.846 12.846 5.098) 18.869 7.808 ( 9.796 9.796 0.488) 13.863 7.904 ( 5.400 5.400 8.512) 11.436 8.225 ( 2.632 2.632 9.612) 10.308 8.431 ( -11.539 -11.539 -8.978) 18.626 8.519 ( 0.974 0.974 -12.031) 12.110 8.889 ( 3.048 3.048 -9.553) 10.480 8.919 ( -1.841 -1.841 -1.528) 3.019 9.451 ( 9.428 9.428 -0.579) 13.346 9.648 ( 2.145 2.145 -7.270) 7.878 10.751 ( -0.674 -0.674 5.087) 5.176 11.025 ( 1.168 1.168 8.530) 8.688 11.255 ( -10.768 -10.768 11.262) 18.940 11.455 ( -9.548 -9.548 24.600) 28.062 11.994 ( -6.878 -6.878 8.803) 13.119 12.036 ( -9.797 -9.797 -4.655) 14.617 12.553 ( -8.107 -8.107 1.935) 11.627 12.580 ( 1.684 1.684 2.181) 3.229 13.021 ( -5.999 -5.999 21.422) 23.040 13.118 ( -0.233 -0.233 -6.422) 6.431 13.308 ( -6.701 -6.701 -11.124) 14.613 13.561 ( 5.341 5.341 12.344) 14.472 14.132 ( 5.748 5.748 16.202) 18.127 14.929 ( -6.516 -6.516 -14.544) 17.218 15.737 ( 4.297 4.297 -7.048) 9.306 15.890 ( -13.265 -13.265 2.663) 18.948 16.188 ( -6.439 -6.439 -9.718) 13.318 17.158 ( 1.416 1.416 0.095) 2.005 17.236 ( 1.024 1.024 0.471) 1.523 17.737 ( -0.373 -0.373 -2.674) 2.726 18.442 ( -9.137 -9.137 3.699) 13.441 18.732 ( -7.839 -7.839 -2.823) 11.440 19.738 ( -11.090 -11.090 0.268) 15.685 20.638 ( -0.373 -0.373 -0.854) 1.004 22.766 ( 24.719 24.719 3.190) 35.103 24.316 ( 13.458 13.458 -20.848) 28.229 25.469 ( -9.604 -9.604 10.780) 17.340 26.021 ( -8.170 -8.170 -2.729) 11.872 ======================= Grid point 146 (34/63) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 4.825 1.023 3.834) 6.247 1.911 ( 7.315 1.747 14.494) 16.329 2.080 ( 22.065 -7.308 11.279) 25.836 2.417 ( 15.851 4.054 14.837) 22.087 3.303 ( -5.109 -6.382 -12.049) 14.560 3.662 ( 1.035 5.797 -1.069) 5.985 3.791 ( 5.119 -3.202 3.276) 6.870 4.088 ( -9.529 -5.579 9.782) 14.752 4.315 ( -1.758 -1.597 20.016) 20.157 4.567 ( -3.874 -6.041 -5.571) 9.085 5.451 ( 17.736 16.531 1.903) 24.320 5.961 ( -5.121 0.018 -11.670) 12.744 6.308 ( -3.136 11.193 -13.792) 18.037 6.544 ( 7.827 -0.657 -13.016) 15.203 6.876 ( 8.316 6.015 1.683) 10.401 7.245 ( -0.306 3.078 -19.116) 19.364 7.493 ( 8.236 10.587 -4.251) 14.071 7.886 ( 2.567 14.033 6.215) 15.561 8.114 ( 2.631 -0.535 3.923) 4.754 8.156 ( -13.788 -0.838 -3.797) 14.326 8.431 ( 20.972 -0.919 6.840) 22.079 8.488 ( -2.124 -5.096 -11.460) 12.721 8.864 ( -2.013 -0.496 -3.015) 3.659 9.024 ( 8.661 -3.483 -8.984) 12.956 9.608 ( -0.842 9.688 -6.155) 11.508 9.700 ( 10.239 10.119 -2.423) 14.599 10.748 ( -0.635 -0.452 4.940) 5.002 10.948 ( -6.701 -1.620 9.501) 11.739 11.166 ( 1.306 -13.097 11.750) 17.644 11.335 ( -3.946 -3.866 14.954) 15.942 11.814 ( -11.735 -8.156 -2.542) 14.515 11.885 ( -5.630 -5.750 6.535) 10.366 12.425 ( -4.698 -4.035 1.620) 6.401 12.584 ( -1.799 -0.032 1.771) 2.524 12.870 ( -8.835 -3.946 15.000) 17.850 12.995 ( -9.254 3.665 -3.855) 10.674 13.314 ( 5.238 -8.409 -7.214) 12.255 13.670 ( 4.490 4.119 9.652) 11.414 14.202 ( 1.330 -0.439 17.250) 17.307 14.772 ( -8.394 -0.953 -13.323) 15.775 15.618 ( -12.488 -9.474 0.763) 15.694 15.903 ( 7.228 -5.442 -8.859) 12.662 16.067 ( -2.742 -6.432 -5.377) 8.820 17.205 ( -0.104 0.944 -1.920) 2.142 17.270 ( 5.637 -5.756 0.270) 8.061 17.673 ( -5.010 -18.094 -4.597) 19.329 18.234 ( -12.098 -13.735 4.967) 18.965 18.558 ( -10.289 -13.117 -1.581) 16.745 19.670 ( 3.091 -4.503 -0.159) 5.464 20.596 ( -4.160 1.370 -0.739) 4.441 23.262 ( 25.784 18.085 5.660) 31.999 24.512 ( 7.672 8.760 -16.486) 20.184 25.261 ( -11.834 -6.178 9.480) 16.374 25.803 ( -13.821 -5.668 -2.924) 15.222 ======================= Grid point 147 (35/63) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 5.380 -2.883 7.334) 9.542 1.981 ( -0.011 -2.127 12.691) 12.868 2.527 ( 22.143 -9.503 4.847) 24.579 2.760 ( 19.785 -8.616 11.554) 24.479 3.172 ( -7.033 -9.190 -10.102) 15.361 3.649 ( 0.487 -1.542 -1.880) 2.479 3.834 ( -10.001 -7.667 -2.423) 12.833 3.957 ( 1.964 0.315 12.566) 12.723 4.299 ( -0.805 -2.936 17.294) 17.560 4.488 ( -4.278 -5.914 4.411) 8.528 5.671 ( 4.401 11.836 -5.064) 13.605 5.928 ( -0.403 11.094 -7.621) 13.466 6.278 ( 3.124 3.342 -10.696) 11.634 6.606 ( -0.888 -0.507 -8.667) 8.727 7.081 ( 12.045 10.819 -2.099) 16.325 7.299 ( 5.768 2.753 -11.796) 13.416 7.570 ( -0.243 10.499 -8.502) 13.512 7.853 ( -13.917 1.953 -6.376) 15.432 7.936 ( 2.350 10.815 7.250) 13.231 8.157 ( 0.470 4.962 2.653) 5.647 8.419 ( -1.969 -5.793 -12.385) 13.814 8.705 ( -1.652 -0.564 -8.730) 8.903 8.980 ( 16.142 -5.620 4.342) 17.636 9.236 ( 14.398 -1.211 -0.381) 14.454 9.524 ( -5.336 5.144 -5.414) 9.178 9.906 ( 7.506 13.580 1.645) 15.603 10.704 ( -1.562 -3.771 3.511) 5.384 10.907 ( 1.481 -1.245 5.549) 5.877 11.211 ( 2.153 -11.670 12.471) 17.214 11.282 ( -1.787 -1.338 4.768) 5.264 11.593 ( -10.084 -8.527 0.460) 13.214 11.781 ( -5.852 -2.996 8.268) 10.563 12.359 ( -2.533 -2.054 0.276) 3.273 12.503 ( -6.296 3.509 -4.388) 8.438 12.738 ( -3.714 -1.157 14.656) 15.163 12.844 ( -6.189 0.376 5.521) 8.302 13.431 ( 6.344 -4.800 -4.744) 9.262 13.717 ( 0.401 2.936 1.126) 3.170 14.199 ( -0.534 -7.826 16.963) 18.689 14.607 ( -9.368 -1.407 -5.011) 10.717 15.464 ( -2.548 -9.073 -3.227) 9.961 15.837 ( -8.223 -2.398 -8.319) 11.941 16.242 ( 14.836 -14.426 -4.598) 21.198 17.119 ( -9.623 -6.777 -6.200) 13.303 17.403 ( 7.001 -12.472 2.366) 14.496 17.639 ( 3.124 -20.773 -4.830) 21.554 18.002 ( -11.101 -17.126 5.066) 21.029 18.339 ( -12.212 -19.284 -0.468) 22.830 19.811 ( 10.512 2.081 0.005) 10.716 20.474 ( -8.418 3.161 -0.323) 8.997 23.734 ( 23.090 12.347 6.383) 26.951 24.613 ( 1.463 4.417 -12.277) 13.129 25.045 ( -8.569 -2.611 7.138) 11.455 25.518 ( -15.216 -4.360 -3.377) 16.185 ======================= Grid point 148 (36/63) ======================= q-point: ( 0.45 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 6.316 -4.489 9.417) 12.195 1.928 ( -4.939 -4.158 10.843) 12.620 2.863 ( 12.576 -4.270 4.117) 13.905 3.041 ( -7.082 -6.816 -2.928) 10.256 3.162 ( 20.961 -17.607 0.493) 27.379 3.531 ( -16.884 -13.000 -2.377) 21.441 3.756 ( 7.912 -2.640 1.550) 8.484 3.931 ( -7.108 -0.864 5.158) 8.825 4.312 ( 3.390 -6.922 15.584) 17.386 4.402 ( -4.844 -5.936 12.867) 14.975 5.731 ( 4.219 10.134 -8.618) 13.956 5.847 ( -6.826 16.153 -8.519) 19.495 6.420 ( 8.716 -0.945 -6.368) 10.835 6.551 ( -4.658 0.226 -6.225) 7.778 7.302 ( 10.570 10.689 -3.108) 15.351 7.441 ( 7.627 6.535 -6.286) 11.849 7.487 ( -6.643 8.590 -6.021) 12.417 7.628 ( -10.019 8.016 -5.881) 14.115 8.002 ( 5.081 6.138 0.576) 7.989 8.112 ( -5.178 6.444 -1.682) 8.436 8.457 ( 5.723 -3.512 -11.954) 13.711 8.595 ( -7.555 -1.878 -11.042) 13.511 9.219 ( 9.082 -3.966 -5.039) 11.118 9.363 ( -5.722 3.277 -6.520) 9.273 9.622 ( 17.291 -0.392 13.178) 21.744 9.897 ( -8.894 5.560 10.991) 15.193 10.779 ( 8.578 -0.953 -2.327) 8.939 10.915 ( -2.898 1.426 1.405) 3.522 11.217 ( -0.483 -7.085 5.991) 9.291 11.244 ( -3.003 -9.309 -0.936) 9.826 11.511 ( 3.104 -4.118 9.315) 10.647 11.643 ( -8.323 -2.438 10.446) 13.577 12.333 ( 0.488 0.989 -3.497) 3.667 12.388 ( -4.878 3.787 -6.010) 8.617 12.717 ( 0.856 2.185 15.822) 15.995 12.756 ( -3.151 0.607 11.901) 12.326 13.555 ( 6.668 -3.593 -2.559) 7.995 13.675 ( -4.914 -1.051 -3.229) 5.973 14.241 ( 5.842 -9.516 10.783) 15.523 14.409 ( -10.579 -5.164 2.783) 12.096 15.512 ( 6.468 -7.086 -5.424) 11.021 15.669 ( -8.966 -4.259 -6.458) 11.842 16.547 ( 16.482 -17.188 -5.633) 24.470 16.862 ( -15.742 -15.859 -6.427) 23.251 17.543 ( 7.758 -13.691 1.444) 15.802 17.682 ( -4.289 -15.099 -1.588) 15.776 17.905 ( 5.187 -21.946 2.424) 22.680 18.100 ( -12.243 -22.029 0.032) 25.203 20.040 ( 12.675 4.553 0.096) 13.468 20.279 ( -11.669 4.497 -0.002) 12.506 24.147 ( 19.863 7.245 4.665) 21.651 24.484 ( -14.173 3.321 -0.544) 14.567 25.035 ( 7.046 -1.267 -1.921) 7.412 25.240 ( -13.216 -3.056 -3.860) 14.103 ======================= Grid point 157 (37/63) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -1.450 -1.450 1.585) 2.592 1.960 ( 0.902 0.902 19.165) 19.207 2.018 ( 3.730 3.730 11.050) 12.244 2.556 ( 9.453 9.453 14.720) 19.884 3.146 ( -8.064 -8.064 -10.559) 15.542 3.634 ( -4.527 -4.527 -0.267) 6.408 3.828 ( -0.293 -0.293 -4.819) 4.837 3.957 ( -5.221 -5.221 14.063) 15.884 4.292 ( -1.884 -1.884 20.509) 20.681 4.456 ( -5.211 -5.211 -4.273) 8.518 5.804 ( 18.303 18.303 1.329) 25.918 5.870 ( -5.430 -5.430 -13.662) 15.672 6.457 ( 2.959 2.959 -15.379) 15.938 6.653 ( 8.788 8.788 -2.996) 12.784 7.061 ( 12.987 12.987 -7.111) 19.696 7.206 ( -2.803 -2.803 -15.402) 15.904 7.627 ( 2.610 2.610 -6.789) 7.727 7.980 ( -8.235 -8.235 -4.296) 12.414 8.210 ( 9.923 9.923 8.790) 16.559 8.264 ( 3.719 3.719 6.302) 8.208 8.417 ( -0.124 -0.124 -9.862) 9.863 8.435 ( 8.312 8.312 8.363) 14.427 8.878 ( 0.498 0.498 -2.397) 2.498 8.992 ( 3.043 3.043 -9.088) 10.055 9.676 ( -1.052 -1.052 -9.287) 9.405 9.982 ( 15.981 15.981 -5.963) 23.373 10.770 ( 1.468 1.468 4.507) 4.962 10.821 ( -11.625 -11.625 13.436) 21.232 10.994 ( -1.005 -1.005 15.656) 15.721 11.304 ( -0.785 -0.785 7.913) 7.990 11.603 ( -12.463 -12.463 -2.663) 17.826 11.806 ( -3.627 -3.627 9.420) 10.726 12.363 ( -2.090 -2.090 0.909) 3.093 12.536 ( -3.960 -3.960 4.619) 7.259 12.780 ( -4.751 -4.751 10.163) 12.184 13.113 ( 0.277 0.277 -12.630) 12.636 13.125 ( -2.486 -2.486 -1.975) 4.032 13.781 ( 5.486 5.486 16.424) 18.164 14.134 ( -6.505 -6.505 16.656) 19.028 14.692 ( -6.709 -6.709 -16.830) 19.320 15.420 ( -10.632 -10.632 1.633) 15.125 15.872 ( 2.424 2.424 -8.924) 9.559 15.937 ( -7.068 -7.068 -6.129) 11.725 17.175 ( -0.525 -0.525 0.852) 1.130 17.262 ( 0.266 0.266 0.000) 0.377 17.281 ( -19.757 -19.757 -8.046) 29.076 17.947 ( -15.233 -15.233 5.962) 22.352 18.260 ( -16.343 -16.343 -1.065) 23.137 19.719 ( 7.559 7.559 -0.385) 10.697 20.584 ( -2.596 -2.596 -0.825) 3.762 23.627 ( 19.044 19.044 6.159) 27.628 24.633 ( 4.029 4.029 -13.037) 14.227 25.119 ( -8.231 -8.231 7.549) 13.875 25.636 ( -11.368 -11.368 -2.890) 16.335 ======================= Grid point 158 (38/63) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.127 -8.527 3.445) 9.266 1.912 ( -5.266 -5.795 15.421) 17.295 2.237 ( 17.652 -15.869 7.298) 24.833 2.753 ( 10.288 4.423 15.259) 18.927 3.029 ( -4.035 -4.768 -3.842) 7.333 3.563 ( -6.609 -7.800 -2.339) 10.488 3.620 ( -11.905 -13.892 -0.237) 18.297 3.978 ( 1.498 1.267 7.734) 7.979 4.207 ( -6.174 -6.747 15.932) 18.370 4.370 ( -4.000 -6.087 2.396) 7.668 5.809 ( 1.894 4.107 -12.178) 12.991 6.155 ( 15.705 13.616 -1.044) 20.812 6.444 ( -5.240 11.683 -12.860) 18.148 6.721 ( -0.888 10.853 -2.613) 11.198 7.243 ( 6.852 -2.812 -8.868) 11.554 7.353 ( 15.522 12.630 -11.447) 23.054 7.631 ( -1.278 -2.244 -8.290) 8.683 7.817 ( -6.617 -6.573 -3.948) 10.128 8.169 ( -6.725 7.079 -0.721) 9.791 8.314 ( -6.671 5.140 -2.029) 8.663 8.407 ( 7.879 12.296 3.258) 14.963 8.708 ( 5.005 0.430 -3.995) 6.419 8.903 ( 7.884 0.522 0.850) 7.947 9.222 ( 19.379 0.226 5.179) 20.060 9.590 ( -7.545 1.183 -9.845) 12.460 10.201 ( 1.989 15.780 -0.435) 15.910 10.602 ( -3.261 -7.350 5.309) 9.635 10.868 ( 5.623 -3.488 5.543) 8.632 11.032 ( 3.045 -4.306 13.837) 14.808 11.260 ( -6.296 -1.806 2.471) 7.001 11.394 ( -5.690 -11.233 2.737) 12.885 11.724 ( -5.442 -3.350 13.370) 14.818 12.347 ( 0.478 1.011 -2.360) 2.612 12.481 ( -1.062 -7.324 4.945) 8.901 12.691 ( -4.658 -1.267 2.954) 5.659 12.913 ( -9.758 7.170 1.542) 12.207 13.314 ( 10.752 -7.924 -8.237) 15.692 13.820 ( -3.209 6.364 13.826) 15.555 14.001 ( -4.178 -11.348 15.399) 19.580 14.525 ( -10.967 -7.623 -11.523) 17.640 15.278 ( -2.227 -9.618 -1.213) 9.947 15.759 ( -10.098 -6.040 -5.298) 12.904 16.003 ( 9.136 -9.311 -9.335) 16.040 16.868 ( -20.487 -19.392 -9.580) 29.792 17.212 ( 3.790 -6.831 1.899) 8.039 17.336 ( 5.362 -8.949 -0.913) 10.472 17.678 ( -12.224 -15.678 6.302) 20.855 17.961 ( -14.511 -18.610 -0.813) 23.613 19.905 ( 11.043 6.612 -0.085) 12.871 20.495 ( -6.661 -0.955 -0.524) 6.750 23.975 ( 16.998 12.254 5.945) 21.782 24.663 ( -1.852 0.708 -8.059) 8.300 24.977 ( -4.869 -4.171 3.920) 7.514 25.392 ( -13.243 -8.547 -2.938) 16.033 ======================= Grid point 159 (39/63) ======================= q-point: ( 0.45 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 5.440 -12.510 6.771) 15.229 1.779 ( -7.674 -11.471 10.814) 17.533 2.647 ( 22.998 -22.154 1.830) 31.985 2.911 ( 2.945 -2.944 7.909) 8.938 2.974 ( -0.515 -1.842 6.674) 6.942 3.199 ( -21.225 -20.159 -1.649) 29.319 3.657 ( 7.947 -7.313 2.580) 11.103 3.866 ( -11.782 -6.779 8.353) 15.954 4.188 ( 4.085 -4.756 9.659) 11.516 4.284 ( -5.048 -5.641 7.406) 10.590 5.944 ( 11.311 12.511 -11.346) 20.327 6.191 ( -12.361 18.353 -11.055) 24.736 6.478 ( 10.960 6.984 -2.458) 13.227 6.654 ( -6.427 9.253 -2.851) 11.621 7.390 ( 7.667 -1.672 -5.071) 9.344 7.528 ( -5.396 -1.068 -6.267) 8.339 7.648 ( 10.624 13.664 -9.785) 19.883 7.779 ( -0.857 1.740 -11.810) 11.968 8.064 ( -1.675 1.540 -0.881) 2.440 8.156 ( -8.611 -2.946 -4.574) 10.186 8.545 ( 6.431 13.477 0.265) 14.935 8.660 ( -5.447 10.046 -4.066) 12.129 9.147 ( 13.935 -2.747 -4.537) 14.911 9.399 ( -11.873 0.389 -8.748) 14.753 9.636 ( 21.578 1.576 15.515) 26.624 10.012 ( -16.896 5.357 15.264) 23.392 10.731 ( 11.612 -3.894 -7.600) 14.414 10.929 ( -4.531 -0.192 -0.779) 4.601 11.043 ( 0.558 -9.473 3.137) 9.995 11.112 ( -4.857 -5.320 5.237) 8.906 11.428 ( 6.823 -3.935 13.229) 15.396 11.587 ( -8.474 -3.197 15.578) 18.019 12.387 ( 3.735 3.975 -5.752) 7.927 12.467 ( -2.802 1.669 -1.899) 3.774 12.640 ( 2.000 -7.159 3.262) 8.117 12.751 ( -7.525 -1.036 9.088) 11.844 13.505 ( 8.851 -2.172 -0.762) 9.145 13.674 ( -9.195 0.747 8.368) 12.455 14.049 ( 8.331 -8.828 6.927) 13.976 14.277 ( -13.846 -8.862 -3.332) 16.773 15.347 ( 8.314 -9.751 -2.815) 13.119 15.548 ( -11.450 -8.358 -3.572) 14.619 16.218 ( 13.085 -15.788 -10.602) 23.085 16.506 ( -16.976 -19.720 -10.757) 28.157 17.308 ( 6.047 -10.186 3.340) 12.308 17.422 ( -2.317 -11.170 1.318) 11.483 17.531 ( 2.669 -16.041 3.026) 16.540 17.707 ( -11.851 -17.803 -0.484) 21.392 20.125 ( 11.452 3.946 -0.021) 12.113 20.333 ( -9.915 1.228 -0.193) 9.992 24.279 ( 14.558 6.106 4.200) 16.336 24.530 ( -11.091 1.227 0.421) 11.167 24.988 ( 5.536 -3.339 -2.280) 6.856 25.153 ( -11.041 -5.807 -3.158) 12.868 ======================= Grid point 169 (40/63) ======================= q-point: ( 0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -6.568 -6.568 2.301) 9.570 1.739 ( -11.870 -11.870 13.065) 21.272 2.047 ( -1.686 -1.686 7.047) 7.439 2.857 ( 4.660 4.660 16.333) 17.612 2.986 ( -0.962 -0.962 5.074) 5.253 3.214 ( -22.291 -22.291 -0.574) 31.529 3.490 ( -2.845 -2.845 -3.998) 5.672 3.921 ( -10.065 -10.065 11.731) 18.446 4.104 ( -0.651 -0.651 9.691) 9.735 4.271 ( -4.114 -4.114 3.457) 6.767 5.947 ( 11.197 11.197 -11.712) 19.696 6.419 ( 13.339 13.339 -0.292) 18.866 6.615 ( 3.156 3.156 -16.176) 16.781 6.909 ( 4.487 4.487 1.039) 6.430 7.181 ( 1.291 1.291 -7.709) 7.922 7.526 ( -0.326 -0.326 -9.761) 9.772 7.646 ( -4.653 -4.653 -2.713) 7.118 7.703 ( 10.750 10.750 -9.857) 18.119 8.093 ( -9.014 -9.014 -14.490) 19.299 8.411 ( -1.374 -1.374 -10.311) 10.492 8.659 ( 9.927 9.927 7.139) 15.750 8.756 ( 7.847 7.847 7.258) 13.260 9.036 ( 8.017 8.017 -3.450) 11.852 9.306 ( 12.078 12.078 15.485) 23.056 9.553 ( -5.240 -5.240 -10.784) 13.085 10.376 ( -11.332 -11.332 17.890) 24.018 10.489 ( 8.428 8.428 -9.791) 15.424 10.825 ( 1.558 1.558 6.510) 6.873 11.039 ( 1.496 1.496 11.388) 11.583 11.108 ( -12.615 -12.615 -1.533) 17.906 11.292 ( 1.088 1.088 8.421) 8.560 11.644 ( -5.071 -5.071 17.946) 19.326 12.321 ( -6.387 -6.387 6.573) 11.171 12.410 ( 5.397 5.397 -5.342) 9.317 12.628 ( -6.408 -6.408 4.500) 10.118 13.114 ( 1.239 1.239 -0.243) 1.769 13.124 ( 0.025 0.025 -16.283) 16.283 13.778 ( -7.557 -7.557 13.456) 17.184 13.952 ( 3.209 3.209 20.028) 20.535 14.321 ( -12.799 -12.799 -11.539) 21.466 15.135 ( -3.920 -3.920 -1.454) 5.731 15.590 ( -11.336 -11.336 -2.289) 16.195 15.915 ( -0.031 -0.031 -13.278) 13.278 16.474 ( -19.319 -19.319 -12.936) 30.229 17.136 ( -1.172 -1.172 2.232) 2.780 17.261 ( -0.176 -0.176 0.803) 0.840 17.422 ( -10.798 -10.798 6.894) 16.755 17.650 ( -13.652 -13.652 -0.850) 19.326 20.043 ( 7.510 7.510 -0.003) 10.620 20.441 ( -4.484 -4.484 -0.394) 6.353 24.194 ( 10.415 10.415 4.987) 15.550 24.637 ( -3.578 -3.578 -3.048) 5.908 24.910 ( -1.948 -1.948 0.057) 2.755 25.208 ( -9.980 -9.980 -2.448) 14.325 ======================= Grid point 170 (41/63) ======================= q-point: ( 0.45 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 2.302 -13.998 4.095) 14.765 1.508 ( -10.599 -15.528 8.245) 20.529 2.199 ( 16.899 -20.867 3.658) 27.100 2.631 ( -25.299 -26.434 -0.832) 36.599 2.995 ( 2.824 3.763 18.930) 19.505 3.026 ( -0.839 1.431 11.860) 11.975 3.507 ( 5.219 -7.274 -2.155) 9.208 3.683 ( -12.143 -10.945 6.349) 17.538 4.139 ( 2.973 -0.839 8.095) 8.664 4.201 ( -3.358 -3.062 6.677) 8.076 6.219 ( 15.998 15.779 -12.026) 25.486 6.510 ( -12.555 14.070 -14.552) 23.819 6.661 ( 11.623 10.756 -0.991) 15.867 6.853 ( -7.744 10.088 -0.920) 12.751 7.306 ( 8.269 -6.125 -3.549) 10.885 7.461 ( -7.575 -5.906 -2.377) 9.895 7.642 ( 8.967 -10.213 -7.665) 15.603 7.850 ( -9.289 -3.673 -13.778) 17.018 8.030 ( 12.338 7.763 -13.116) 19.609 8.274 ( -10.950 11.055 -13.834) 20.820 8.812 ( 6.575 10.309 2.998) 12.590 8.883 ( 0.887 8.690 2.171) 9.001 9.171 ( 9.752 7.640 -1.429) 12.470 9.389 ( -10.924 -0.830 -7.358) 13.197 9.670 ( 21.494 2.075 20.027) 29.451 10.064 ( -18.845 -0.784 20.069) 27.541 10.661 ( 8.799 -2.548 -7.229) 11.669 10.856 ( -11.601 -7.206 -3.442) 14.084 10.919 ( 6.236 -3.341 6.188) 9.399 11.026 ( -3.976 -3.685 6.533) 8.489 11.384 ( 7.355 -0.177 15.158) 16.849 11.527 ( -6.992 -2.915 18.686) 20.163 12.287 ( 3.402 -12.161 7.125) 14.499 12.426 ( -8.953 -10.218 7.050) 15.306 12.599 ( 10.085 7.633 -10.011) 16.131 12.850 ( -14.614 12.022 -9.513) 21.180 13.410 ( 15.477 -9.755 -8.212) 20.054 13.652 ( -8.256 -3.955 4.174) 10.061 13.980 ( 1.614 1.755 16.147) 16.322 14.088 ( -9.778 -8.987 2.303) 13.479 15.162 ( 6.624 -8.538 -1.748) 10.947 15.354 ( -12.191 -11.247 -1.543) 16.659 15.980 ( 6.512 -8.381 -14.919) 18.310 16.164 ( -12.748 -14.732 -14.861) 24.503 17.158 ( 3.224 -5.333 3.777) 7.287 17.251 ( -5.987 -7.386 5.246) 10.859 17.311 ( 3.854 -6.534 1.383) 7.711 17.435 ( -8.760 -10.446 -0.196) 13.635 20.190 ( 7.616 2.882 -0.035) 8.143 20.330 ( -6.802 -1.343 -0.184) 6.936 24.377 ( 8.722 4.174 3.258) 10.203 24.530 ( -7.085 -1.075 0.918) 7.224 24.923 ( 3.325 -2.958 -2.101) 4.922 25.032 ( -7.813 -6.283 -2.229) 10.271 ======================= Grid point 181 (42/63) ======================= q-point: ( 0.45 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -4.396 -4.396 2.581) 6.731 1.243 ( -10.145 -10.145 4.620) 15.073 1.959 ( -1.825 -1.825 4.835) 5.480 2.150 ( -20.201 -20.201 2.348) 28.664 3.065 ( 2.511 2.511 21.865) 22.151 3.071 ( 1.999 1.999 22.696) 22.871 3.418 ( -0.925 -0.925 -7.236) 7.353 3.492 ( -7.929 -7.929 -1.347) 11.294 4.139 ( 0.585 0.585 8.725) 8.764 4.159 ( -1.529 -1.529 8.254) 8.533 6.522 ( 14.367 14.367 -15.026) 25.270 6.680 ( 0.692 0.692 -18.771) 18.797 6.852 ( 9.415 9.415 -0.308) 13.318 6.976 ( -0.068 -0.068 0.225) 0.245 7.208 ( -1.211 -1.211 -3.199) 3.628 7.297 ( -8.817 -8.817 -0.565) 12.482 7.542 ( 0.887 0.887 -2.998) 3.250 7.659 ( -10.161 -10.161 -5.688) 15.455 8.283 ( 12.549 12.549 -23.364) 29.340 8.416 ( 0.727 0.727 -26.498) 26.518 8.896 ( 3.174 3.174 0.354) 4.502 8.968 ( -1.218 -1.218 -0.098) 1.726 9.342 ( 6.208 6.208 -0.127) 8.780 9.399 ( 0.694 0.694 -0.819) 1.279 9.762 ( 9.110 9.110 27.630) 30.486 9.965 ( -9.241 -9.241 24.650) 27.901 10.650 ( 1.547 1.547 -4.171) 4.710 10.723 ( -5.921 -5.921 -2.222) 8.663 10.896 ( 1.406 1.406 6.566) 6.860 10.954 ( -3.864 -3.864 6.109) 8.196 11.417 ( 3.001 3.001 16.469) 17.007 11.475 ( -2.747 -2.747 18.621) 19.022 12.118 ( -3.227 -3.227 7.902) 9.125 12.192 ( -10.187 -10.187 8.300) 16.626 12.832 ( 14.835 14.835 -12.854) 24.605 13.115 ( -0.309 -0.309 -17.311) 17.316 13.170 ( 1.257 1.257 -8.367) 8.553 13.470 ( -15.015 -15.015 -10.284) 23.593 14.013 ( 1.004 1.004 17.870) 17.927 14.028 ( 0.880 0.880 21.540) 21.576 15.065 ( -0.516 -0.516 -1.876) 2.013 15.151 ( -8.704 -8.704 -1.467) 12.397 15.897 ( -0.483 -0.483 -17.278) 17.292 15.957 ( -6.813 -6.813 -17.228) 19.739 17.104 ( -0.428 -0.428 3.823) 3.871 17.138 ( -3.960 -3.960 4.868) 7.421 17.256 ( -0.087 -0.087 1.728) 1.732 17.296 ( -4.390 -4.390 1.157) 6.316 20.241 ( 2.600 2.600 -0.057) 3.678 20.291 ( -2.505 -2.505 -0.113) 3.544 24.444 ( 2.963 2.963 2.084) 4.679 24.495 ( -2.363 -2.363 1.286) 3.581 24.892 ( 0.091 0.091 -1.623) 1.628 24.931 ( -3.880 -3.880 -1.547) 5.701 ======================= Grid point 242 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 0.000 6.089) 6.089 1.047 ( 0.000 0.000 6.089) 6.089 1.559 ( -0.000 -0.000 13.170) 13.170 1.559 ( 0.000 0.000 13.170) 13.170 2.910 ( -0.000 -0.000 56.336) 56.336 3.691 ( 0.000 0.000 -15.178) 15.178 3.691 ( -0.000 0.000 -15.178) 15.178 3.831 ( 0.000 0.000 -23.172) 23.172 4.270 ( 0.000 0.000 16.115) 16.115 4.708 ( 0.000 0.000 -24.070) 24.070 5.210 ( 0.000 0.000 2.967) 2.967 5.210 ( 0.000 0.000 2.967) 2.967 5.885 ( 0.000 0.000 9.146) 9.146 6.370 ( -0.000 -0.000 -29.500) 29.500 6.539 ( 0.000 0.000 -4.030) 4.030 6.539 ( -0.000 -0.000 -4.030) 4.030 7.175 ( 0.000 0.000 1.571) 1.571 7.175 ( 0.000 0.000 1.571) 1.571 7.781 ( 0.000 0.000 38.012) 38.012 8.232 ( 0.000 0.000 2.143) 2.143 8.232 ( 0.000 0.000 2.143) 2.143 8.563 ( 0.000 0.000 -33.018) 33.018 8.976 ( 0.000 0.000 3.181) 3.181 8.976 ( 0.000 0.000 3.181) 3.181 9.360 ( 0.000 0.000 -2.835) 2.835 9.360 ( 0.000 0.000 -2.835) 2.835 10.938 ( 0.000 0.000 3.138) 3.138 10.944 ( 0.000 0.000 2.677) 2.677 12.094 ( 0.000 0.000 12.132) 12.132 12.294 ( 0.000 0.000 0.373) 0.373 12.294 ( 0.000 0.000 0.373) 0.373 12.332 ( 0.000 0.000 -9.329) 9.329 13.007 ( 0.000 0.000 -0.323) 0.323 13.007 ( 0.000 -0.000 -0.323) 0.323 13.197 ( 0.000 0.000 14.840) 14.840 13.517 ( 0.000 0.000 -13.547) 13.547 13.572 ( 0.000 0.000 5.170) 5.170 13.572 ( 0.000 0.000 5.170) 5.170 15.341 ( 0.000 0.000 -5.189) 5.189 15.341 ( 0.000 0.000 -5.189) 5.189 15.582 ( 0.000 0.000 -0.073) 0.073 15.586 ( 0.000 0.000 -0.370) 0.370 17.034 ( 0.000 0.000 -0.282) 0.282 17.034 ( -0.000 -0.000 -0.282) 0.282 17.225 ( 0.000 0.000 1.370) 1.370 17.225 ( 0.000 0.000 1.370) 1.370 18.811 ( 0.000 0.000 5.814) 5.814 18.942 ( 0.000 0.000 -5.784) 5.784 20.605 ( -0.000 -0.000 0.527) 0.527 20.620 ( 0.000 0.000 -0.726) 0.726 21.505 ( 0.000 0.000 1.260) 1.260 21.535 ( 0.000 0.000 -1.481) 1.481 26.233 ( -0.000 -0.000 2.489) 2.489 26.287 ( 0.000 0.000 -2.396) 2.396 ======================= Grid point 243 (44/63) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 12.799 0.000 7.477) 14.823 1.238 ( 17.282 0.000 1.931) 17.389 1.705 ( 13.918 0.000 15.365) 20.732 1.772 ( 19.893 0.000 10.445) 22.468 3.011 ( 10.229 0.000 44.246) 45.413 3.562 ( -6.509 0.000 -16.177) 17.438 3.801 ( 9.406 0.000 -7.592) 12.088 4.042 ( 14.405 0.000 -15.904) 21.458 4.346 ( 7.683 0.000 11.655) 13.959 4.667 ( -3.825 0.000 -15.718) 16.177 5.205 ( -0.511 0.000 1.810) 1.881 5.216 ( 0.304 0.000 -1.031) 1.075 5.930 ( 4.627 0.000 3.679) 5.911 6.313 ( -5.555 0.000 -25.940) 26.528 6.528 ( -0.833 0.000 -4.123) 4.206 6.552 ( 0.295 0.000 -6.964) 6.970 7.333 ( 14.466 0.000 5.623) 15.520 7.370 ( 19.571 0.000 0.634) 19.581 7.772 ( 0.211 0.000 32.627) 32.628 8.196 ( -3.556 0.000 2.274) 4.221 8.222 ( -1.002 0.000 -0.290) 1.043 8.479 ( -8.482 0.000 -29.646) 30.835 8.957 ( -1.657 0.000 2.248) 2.792 8.963 ( -1.257 0.000 2.225) 2.556 9.347 ( -1.159 0.000 -1.728) 2.081 9.369 ( 0.914 0.000 -3.555) 3.670 10.943 ( 0.457 0.000 3.659) 3.687 10.960 ( 1.493 0.000 2.174) 2.637 11.967 ( -10.696 0.000 11.111) 15.422 12.161 ( -9.684 0.000 -5.983) 11.383 12.324 ( 0.441 0.000 1.619) 1.678 12.366 ( -0.383 0.000 -2.696) 2.723 12.926 ( -8.378 0.000 1.107) 8.451 12.938 ( -7.099 0.000 -0.317) 7.106 13.164 ( -2.039 0.000 11.493) 11.672 13.375 ( -6.393 0.000 -6.075) 8.819 13.667 ( 7.538 0.000 7.137) 10.381 13.757 ( 9.741 0.000 -1.903) 9.925 14.640 ( -43.105 0.000 22.928) 48.824 15.000 ( -23.414 0.000 -12.706) 26.639 15.799 ( 12.922 0.000 3.893) 13.495 15.976 ( 18.063 0.000 -12.269) 21.836 16.832 ( -27.802 0.000 3.106) 27.975 16.870 ( -25.144 0.000 -0.110) 25.144 17.155 ( 10.799 0.000 2.486) 11.081 17.228 ( 12.145 0.000 -3.638) 12.678 18.787 ( -2.772 0.000 5.157) 5.855 18.907 ( -3.658 0.000 -5.472) 6.582 20.578 ( -2.873 0.000 0.389) 2.900 20.587 ( -3.493 0.000 -0.353) 3.511 21.862 ( 32.187 0.000 8.858) 33.384 22.142 ( 48.680 0.000 -18.283) 52.000 26.139 ( -9.224 0.000 4.383) 10.213 26.218 ( -7.060 0.000 -3.030) 7.682 ======================= Grid point 244 (45/63) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 16.453 0.000 8.963) 18.736 1.603 ( 18.699 0.000 -2.721) 18.896 2.046 ( 20.635 0.000 17.000) 26.735 2.227 ( 25.593 0.000 3.567) 25.840 3.245 ( 11.668 0.000 21.585) 24.537 3.472 ( -3.549 0.000 -8.816) 9.504 3.979 ( 8.064 0.000 7.079) 10.730 4.292 ( 9.064 0.000 -11.950) 14.999 4.543 ( 11.894 0.000 3.012) 12.270 4.591 ( -2.295 0.000 3.697) 4.351 5.198 ( 0.285 0.000 1.203) 1.237 5.225 ( 1.143 0.000 -7.164) 7.255 6.051 ( 7.552 0.000 -7.238) 10.461 6.187 ( -6.543 0.000 -17.352) 18.545 6.531 ( 1.827 0.000 -5.684) 5.971 6.561 ( 1.843 0.000 -9.278) 9.459 7.511 ( -1.016 0.000 25.759) 25.779 7.801 ( 19.565 0.000 -1.006) 19.591 7.944 ( 19.524 0.000 5.080) 20.174 8.112 ( -3.591 0.000 4.890) 6.067 8.165 ( -9.561 0.000 -15.475) 18.191 8.311 ( -1.724 0.000 -12.864) 12.979 8.930 ( -1.925 0.000 0.390) 1.964 8.931 ( -0.248 0.000 -0.645) 0.691 9.328 ( -0.359 0.000 1.272) 1.322 9.398 ( 2.338 0.000 -4.571) 5.134 10.952 ( 0.325 0.000 4.478) 4.490 10.988 ( 0.881 0.000 1.315) 1.582 11.741 ( -11.758 0.000 11.289) 16.300 11.954 ( -11.329 0.000 -8.025) 13.883 12.251 ( -8.620 0.000 4.407) 9.681 12.300 ( -6.556 0.000 -0.723) 6.595 12.722 ( -10.839 0.000 3.634) 11.432 12.760 ( -10.313 0.000 -0.781) 10.342 13.143 ( -0.374 0.000 8.946) 8.953 13.299 ( -1.556 0.000 -4.107) 4.392 13.688 ( -20.521 0.000 12.140) 23.843 13.750 ( -1.734 0.000 3.531) 3.934 14.214 ( 4.814 0.000 20.211) 20.776 14.650 ( -8.935 0.000 -16.017) 18.341 15.998 ( 3.223 0.000 3.733) 4.932 16.117 ( -8.803 0.000 -5.424) 10.339 16.394 ( -15.978 0.000 1.631) 16.061 16.518 ( 2.342 0.000 -11.511) 11.747 17.417 ( 15.108 0.000 4.894) 15.881 17.532 ( 17.238 0.000 -5.374) 18.057 18.703 ( -5.713 0.000 4.163) 7.069 18.807 ( -6.462 0.000 -4.956) 8.144 20.486 ( -6.949 0.000 0.827) 6.998 20.494 ( -5.909 0.000 -0.052) 5.909 22.543 ( 35.360 0.000 16.778) 39.138 23.013 ( 38.629 0.000 -26.705) 46.961 25.906 ( -14.315 0.000 7.124) 15.990 26.028 ( -12.281 0.000 -4.401) 13.046 ======================= Grid point 245 (46/63) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 13.063 0.000 9.473) 16.136 1.910 ( 12.543 0.000 -2.959) 12.888 2.459 ( 21.120 0.000 15.097) 25.961 2.704 ( 22.732 0.000 -4.311) 23.137 3.391 ( 3.462 0.000 3.814) 5.151 3.409 ( -2.729 0.000 -1.933) 3.344 4.087 ( 2.471 0.000 10.043) 10.342 4.268 ( -9.388 0.000 -6.038) 11.162 4.679 ( 9.237 0.000 19.391) 21.478 4.772 ( 11.819 0.000 5.583) 13.071 5.230 ( 2.474 0.000 -1.818) 3.070 5.274 ( 3.908 0.000 -12.065) 12.682 6.109 ( -0.166 0.000 -7.250) 7.252 6.204 ( 8.094 0.000 -14.053) 16.217 6.614 ( 6.648 0.000 -8.487) 10.781 6.647 ( 6.777 0.000 -11.981) 13.765 7.397 ( -8.415 0.000 22.348) 23.880 7.862 ( -17.551 0.000 -14.840) 22.984 7.975 ( 0.766 0.000 -3.054) 3.148 7.997 ( -4.212 0.000 0.800) 4.288 8.394 ( 17.128 0.000 -0.292) 17.130 8.437 ( 6.196 0.000 -4.840) 7.863 8.923 ( 3.116 0.000 1.977) 3.690 8.993 ( 7.357 0.000 -4.569) 8.660 9.361 ( 4.987 0.000 5.015) 7.072 9.481 ( 7.488 0.000 -4.892) 8.944 10.951 ( -0.521 0.000 4.170) 4.203 10.979 ( -1.899 0.000 1.663) 2.524 11.555 ( -6.910 0.000 9.577) 11.810 11.747 ( -9.737 0.000 -7.880) 12.526 12.025 ( -13.128 0.000 8.732) 15.767 12.122 ( -11.388 0.000 -1.350) 11.467 12.555 ( -6.602 0.000 2.596) 7.094 12.586 ( -6.983 0.000 -0.566) 7.005 13.117 ( -3.662 0.000 10.692) 11.302 13.287 ( -7.084 0.000 16.286) 17.760 13.335 ( -7.143 0.000 -5.481) 9.004 13.611 ( -9.009 0.000 -8.902) 12.665 14.429 ( 13.085 0.000 14.716) 19.692 14.672 ( 7.820 0.000 -5.617) 9.628 15.769 ( -17.695 0.000 -1.677) 17.774 15.842 ( -14.740 0.000 -7.233) 16.418 16.459 ( 13.500 0.000 8.603) 16.008 16.717 ( 12.798 0.000 -14.759) 19.535 17.694 ( 12.636 0.000 6.418) 14.173 17.840 ( 13.739 0.000 -6.858) 15.355 18.583 ( -6.111 0.000 3.791) 7.191 18.676 ( -6.409 0.000 -4.501) 7.832 20.327 ( -9.221 0.000 1.969) 9.429 20.354 ( -8.462 0.000 -0.601) 8.483 23.169 ( 29.630 0.000 17.527) 34.426 23.624 ( 26.071 0.000 -23.695) 35.230 25.606 ( -16.541 0.000 8.481) 18.588 25.760 ( -15.292 0.000 -5.762) 16.342 ======================= Grid point 246 (47/63) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 6.749 0.000 9.640) 11.768 2.073 ( 4.498 0.000 -0.517) 4.527 2.804 ( 13.340 0.000 9.435) 16.339 3.018 ( 7.208 0.000 -9.750) 12.125 3.430 ( 7.618 0.000 0.499) 7.634 3.441 ( 4.091 0.000 -1.197) 4.262 4.047 ( -12.263 0.000 2.059) 12.435 4.056 ( -5.335 0.000 1.845) 5.645 4.842 ( 6.966 0.000 23.911) 24.905 4.986 ( 8.555 0.000 17.915) 19.853 5.263 ( 1.819 0.000 -9.152) 9.331 5.362 ( 4.614 0.000 -12.871) 13.673 6.201 ( 8.685 0.000 -3.097) 9.220 6.351 ( 6.726 0.000 -14.605) 16.080 6.756 ( 6.866 0.000 -10.919) 12.898 6.782 ( 5.998 0.000 -12.883) 14.211 7.248 ( -5.536 0.000 15.000) 15.989 7.548 ( -13.946 0.000 -10.910) 17.707 7.932 ( -2.350 0.000 2.118) 3.164 7.956 ( -1.728 0.000 -1.086) 2.041 8.441 ( -3.789 0.000 -3.442) 5.119 8.505 ( -2.880 0.000 -8.237) 8.726 9.058 ( 7.274 0.000 1.777) 7.488 9.129 ( 4.589 0.000 -4.999) 6.786 9.570 ( 16.480 0.000 8.871) 18.716 9.712 ( 15.130 0.000 -3.143) 15.453 10.928 ( -2.868 0.000 2.603) 3.873 10.931 ( -1.503 0.000 2.549) 2.959 11.475 ( -1.953 0.000 5.924) 6.238 11.592 ( -6.349 0.000 -4.895) 8.017 11.793 ( -10.275 0.000 7.533) 12.741 11.891 ( -11.835 0.000 -2.169) 12.032 12.463 ( -2.996 0.000 3.071) 4.291 12.498 ( -2.474 0.000 0.025) 2.474 12.976 ( -9.859 0.000 11.705) 15.304 13.037 ( -12.066 0.000 11.197) 16.461 13.375 ( 3.693 0.000 -5.496) 6.622 13.504 ( -2.247 0.000 -11.509) 11.726 14.662 ( 10.571 0.000 16.332) 19.455 14.834 ( 7.017 0.000 4.384) 8.274 15.489 ( -10.334 0.000 -5.036) 11.496 15.599 ( -10.351 0.000 -11.663) 15.594 16.737 ( 14.178 0.000 7.135) 15.872 16.942 ( 9.762 0.000 -11.319) 14.947 17.865 ( 4.698 0.000 5.847) 7.501 18.009 ( 2.573 0.000 -7.317) 7.756 18.514 ( 0.159 0.000 3.640) 3.644 18.593 ( -1.650 0.000 -3.540) 3.906 20.151 ( -8.485 0.000 2.187) 8.763 20.183 ( -8.736 0.000 -0.842) 8.777 23.689 ( 24.706 0.000 14.276) 28.534 24.048 ( 18.258 0.000 -18.015) 25.649 25.285 ( -16.177 0.000 8.517) 18.281 25.453 ( -16.304 0.000 -6.791) 17.662 ======================= Grid point 247 (48/63) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 3.303 0.000 7.257) 7.973 2.098 ( -1.229 0.000 3.076) 3.312 2.963 ( 4.562 0.000 -0.433) 4.582 3.029 ( -2.705 0.000 -6.875) 7.388 3.585 ( 9.814 0.000 2.527) 10.134 3.650 ( 10.671 0.000 -1.900) 10.839 3.829 ( -8.907 0.000 4.007) 9.767 3.908 ( -9.473 0.000 -2.312) 9.751 4.949 ( 4.545 0.000 22.638) 23.090 5.025 ( -2.894 0.000 20.835) 21.035 5.357 ( 6.148 0.000 -8.852) 10.777 5.418 ( 0.315 0.000 -9.841) 9.846 6.370 ( 7.130 0.000 -6.259) 9.487 6.433 ( 0.898 0.000 -11.402) 11.437 6.835 ( 1.484 0.000 -10.800) 10.902 6.845 ( 0.632 0.000 -11.417) 11.434 7.232 ( 3.722 0.000 6.726) 7.687 7.345 ( -7.610 0.000 -3.114) 8.223 7.910 ( 0.018 0.000 1.750) 1.750 7.926 ( -1.337 0.000 0.322) 1.375 8.373 ( -1.567 0.000 -5.928) 6.132 8.410 ( -4.881 0.000 -8.553) 9.847 9.149 ( 2.645 0.000 -1.674) 3.130 9.171 ( 0.308 0.000 -3.683) 3.696 9.881 ( 12.313 0.000 7.158) 14.242 9.947 ( 6.121 0.000 1.566) 6.318 10.886 ( -1.028 0.000 2.293) 2.513 10.897 ( -1.766 0.000 1.509) 2.323 11.462 ( 0.485 0.000 3.342) 3.377 11.499 ( -3.422 0.000 -0.253) 3.431 11.661 ( -2.657 0.000 2.383) 3.569 11.703 ( -6.754 0.000 -1.612) 6.943 12.443 ( 0.819 0.000 3.995) 4.079 12.470 ( -1.228 0.000 1.783) 2.165 12.822 ( -4.114 0.000 9.852) 10.677 12.852 ( -6.559 0.000 8.074) 10.403 13.442 ( 2.913 0.000 -6.265) 6.910 13.480 ( -1.144 0.000 -8.650) 8.726 14.823 ( 6.155 0.000 17.434) 18.489 14.895 ( -0.823 0.000 14.374) 14.398 15.390 ( -0.266 0.000 -12.200) 12.203 15.447 ( -5.544 0.000 -14.004) 15.062 16.971 ( 9.287 0.000 2.633) 9.653 17.056 ( 1.100 0.000 -4.880) 5.002 17.907 ( 1.580 0.000 1.427) 2.129 17.969 ( -4.389 0.000 -4.135) 6.030 18.566 ( 3.262 0.000 1.375) 3.540 18.594 ( 0.320 0.000 -1.157) 1.201 20.032 ( -3.100 0.000 1.172) 3.314 20.047 ( -4.548 0.000 -0.240) 4.554 24.109 ( 17.928 0.000 7.964) 19.617 24.280 ( 2.913 0.000 -6.888) 7.478 25.052 ( -4.777 0.000 3.149) 5.722 25.158 ( -13.064 0.000 -5.940) 14.351 ======================= Grid point 254 (49/63) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 8.521 8.521 3.530) 12.557 1.419 ( 15.176 15.176 4.707) 21.972 1.747 ( 8.401 8.401 12.636) 17.345 1.982 ( 15.993 15.993 13.588) 26.385 3.111 ( 9.472 9.472 34.285) 36.809 3.564 ( -2.571 -2.571 -11.259) 11.832 3.752 ( 2.211 2.211 -10.032) 10.508 4.242 ( 14.406 14.406 -6.561) 21.403 4.372 ( 2.602 2.602 3.748) 5.252 4.725 ( 5.127 5.127 -8.654) 11.290 4.940 ( -11.781 -11.781 1.977) 16.778 5.477 ( 11.571 11.571 -2.429) 16.543 5.926 ( 0.269 0.269 0.529) 0.652 6.253 ( -6.003 -6.003 -22.793) 24.322 6.526 ( 1.128 1.128 -8.927) 9.069 6.595 ( 2.729 2.729 -5.235) 6.504 7.302 ( 6.010 6.010 6.285) 10.571 7.666 ( 19.858 19.858 2.443) 28.190 7.762 ( -0.106 -0.106 28.944) 28.945 8.138 ( -2.786 -2.786 -2.419) 4.623 8.269 ( 1.821 1.821 2.459) 3.560 8.415 ( -6.662 -6.662 -27.624) 29.187 8.905 ( -3.547 -3.547 1.557) 5.253 8.971 ( -0.639 -0.639 1.848) 2.057 9.306 ( -1.441 -1.441 -1.814) 2.729 9.420 ( 2.623 2.623 -3.445) 5.062 10.905 ( -1.546 -1.546 3.031) 3.737 11.019 ( 3.476 3.476 2.849) 5.682 11.873 ( -8.779 -8.779 9.619) 15.706 12.113 ( -8.390 -8.390 1.120) 11.918 12.177 ( -5.026 -5.026 -6.903) 9.908 12.485 ( 4.477 4.477 0.591) 6.359 12.706 ( -12.716 -12.716 2.149) 18.111 13.050 ( 1.245 1.245 -0.719) 1.902 13.089 ( -6.641 -6.641 11.794) 15.077 13.335 ( -6.772 -6.772 -9.000) 13.142 13.606 ( 2.311 2.311 5.519) 6.415 13.913 ( 6.927 6.927 5.018) 11.007 14.286 ( -19.939 -19.939 21.721) 35.594 15.162 ( -19.244 -19.244 -4.403) 27.570 15.422 ( 3.806 3.806 -4.981) 7.333 16.079 ( 1.869 1.869 -9.054) 9.432 16.446 ( -17.818 -17.818 0.945) 25.216 17.078 ( 2.042 2.042 -0.204) 2.896 17.231 ( 0.272 0.272 0.986) 1.059 17.363 ( 14.237 14.237 -0.109) 20.135 18.744 ( -3.942 -3.942 4.298) 7.039 18.872 ( -3.715 -3.715 -4.749) 7.082 20.360 ( -14.569 -14.569 0.942) 20.626 20.623 ( 0.184 0.184 -0.312) 0.406 21.863 ( 19.949 19.949 0.011) 28.213 22.821 ( 41.329 41.329 -12.350) 59.738 26.032 ( -9.155 -9.155 4.134) 13.591 26.195 ( -4.169 -4.169 -2.242) 6.307 ======================= Grid point 255 (50/63) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 13.261 1.541 3.427) 13.784 1.745 ( 17.094 12.005 3.410) 21.165 2.020 ( 18.790 -0.660 11.952) 22.279 2.317 ( 18.296 7.473 10.216) 22.248 3.289 ( 5.506 2.373 10.847) 12.394 3.506 ( -0.933 4.019 -1.742) 4.479 3.865 ( 7.158 -7.173 -0.368) 10.140 4.386 ( 0.221 2.325 -6.683) 7.080 4.542 ( 12.480 5.878 7.977) 15.935 4.659 ( -6.634 -0.456 3.580) 7.552 4.983 ( 12.772 -0.712 -1.260) 12.854 5.595 ( 0.304 20.560 -3.194) 20.809 5.956 ( 0.618 -8.359 -11.228) 14.012 6.147 ( -1.067 -4.537 -14.187) 14.933 6.570 ( 3.608 6.957 -12.129) 14.440 6.648 ( 3.384 5.013 -5.832) 8.402 7.491 ( 6.680 -0.905 18.107) 19.321 7.771 ( 4.668 2.122 8.069) 9.561 8.039 ( 12.043 0.680 8.654) 14.845 8.149 ( 2.391 7.302 -14.852) 16.722 8.241 ( -5.158 5.262 -5.755) 9.350 8.296 ( 2.331 0.027 -6.946) 7.327 8.843 ( -2.133 -6.362 -1.229) 6.821 8.946 ( -1.385 -0.736 0.620) 1.686 9.320 ( 3.204 1.165 -0.665) 3.474 9.455 ( 1.178 3.972 -3.670) 5.535 10.889 ( -0.307 -3.048 3.092) 4.352 11.070 ( 1.353 4.983 2.829) 5.887 11.670 ( -11.131 -6.953 9.462) 16.180 11.905 ( -11.317 -5.600 -2.255) 12.827 12.079 ( -6.906 -9.346 -1.924) 11.779 12.414 ( -12.113 -0.830 5.385) 13.282 12.556 ( -2.278 -2.685 1.187) 3.716 12.833 ( -16.244 -4.623 4.305) 17.429 13.065 ( -0.514 -4.301 4.175) 6.016 13.226 ( -2.139 -8.177 -8.415) 11.927 13.640 ( -5.238 2.798 8.799) 10.615 13.810 ( -9.531 -1.435 21.618) 23.670 14.231 ( 7.902 3.525 4.715) 9.854 14.706 ( -13.081 2.117 -10.798) 17.094 15.736 ( 16.684 -20.993 -1.550) 26.860 16.015 ( -10.198 -8.498 -9.032) 16.056 16.129 ( -12.809 -1.422 -0.442) 12.895 17.043 ( -9.363 21.551 -1.010) 23.519 17.235 ( 12.226 -8.865 0.254) 15.104 17.676 ( 13.819 5.180 -0.860) 14.783 18.650 ( -5.564 -4.633 3.878) 8.214 18.765 ( -7.015 -4.488 -4.478) 9.455 20.121 ( -10.255 -24.194 0.908) 26.294 20.604 ( -2.370 2.402 -0.304) 3.388 22.472 ( 37.377 7.486 3.762) 38.305 23.477 ( 26.554 29.936 -13.747) 42.312 25.818 ( -12.747 -7.439 5.242) 15.662 26.042 ( -11.471 -0.750 -2.667) 11.801 ======================= Grid point 256 (51/63) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 11.818 -2.970 4.215) 12.894 2.025 ( 11.105 9.094 3.392) 14.749 2.416 ( 21.175 -4.453 11.226) 24.377 2.677 ( 18.682 -1.393 1.841) 18.824 3.268 ( -4.886 -7.453 -2.553) 9.270 3.536 ( 1.698 6.927 1.470) 7.282 3.974 ( 2.585 -8.737 3.308) 9.693 4.305 ( -7.289 1.826 0.113) 7.515 4.592 ( 3.931 -7.120 10.497) 13.279 4.819 ( 11.404 3.731 14.116) 18.526 5.229 ( 10.285 6.642 -4.355) 12.995 5.542 ( -4.344 17.745 -6.127) 19.269 5.931 ( 1.437 -10.378 -12.568) 16.362 6.252 ( 8.125 -0.762 -12.148) 14.635 6.672 ( 6.795 8.726 -12.637) 16.793 6.747 ( 7.098 5.986 -6.006) 11.058 7.462 ( -6.207 5.869 18.614) 20.481 7.856 ( 1.842 -1.177 1.761) 2.807 7.893 ( -15.263 1.340 -18.343) 23.900 8.160 ( -3.383 8.248 4.544) 10.006 8.386 ( 8.902 -1.392 -4.691) 10.158 8.456 ( 8.616 2.637 -0.360) 9.018 8.880 ( 7.948 -4.551 -0.033) 9.159 8.970 ( 5.740 -2.371 -3.048) 6.918 9.409 ( 4.069 4.869 3.104) 7.064 9.509 ( 7.451 3.041 -4.909) 9.426 10.883 ( -0.630 -3.231 2.948) 4.420 11.059 ( -2.333 4.636 3.535) 6.280 11.491 ( -6.791 -6.375 6.907) 11.595 11.703 ( -9.352 -4.552 -2.329) 10.658 11.913 ( -9.747 -7.810 1.622) 12.595 12.175 ( -12.142 0.651 7.192) 14.128 12.497 ( -3.521 -1.269 0.825) 3.833 12.552 ( -11.832 -5.439 -2.182) 13.204 13.059 ( -0.465 -4.719 6.455) 8.010 13.238 ( 1.935 -6.872 -1.975) 7.408 13.407 ( -14.018 6.068 15.204) 21.551 13.660 ( -7.584 5.794 -3.600) 10.200 14.417 ( 11.116 -1.330 4.513) 12.071 14.669 ( 4.415 -0.754 0.122) 4.481 15.721 ( -16.294 -4.982 -2.426) 17.211 15.802 ( -9.332 -4.175 -6.400) 12.061 16.179 ( 15.872 -15.715 -1.695) 22.400 16.978 ( 1.600 14.354 -4.119) 15.019 17.500 ( 14.176 -13.412 1.723) 19.591 17.850 ( 4.010 -5.563 -2.521) 7.306 18.525 ( -8.200 -6.458 3.832) 11.119 18.644 ( -4.105 -3.084 -3.884) 6.438 19.959 ( -6.338 -21.875 0.855) 22.791 20.524 ( -6.018 5.283 -0.084) 8.009 23.166 ( 33.434 5.355 8.511) 34.913 23.880 ( 16.788 18.773 -14.389) 29.005 25.550 ( -15.030 -5.197 6.231) 17.081 25.775 ( -15.650 0.339 -3.767) 16.100 ======================= Grid point 257 (52/63) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 8.325 -3.509 5.454) 10.553 2.152 ( 2.192 6.063 4.460) 7.840 2.775 ( 14.351 -3.001 8.542) 16.969 2.977 ( 9.160 -3.721 -7.392) 12.345 3.219 ( 3.979 -12.686 -0.702) 13.314 3.572 ( 3.774 5.134 -0.264) 6.377 3.928 ( -6.766 -6.864 -0.163) 9.639 4.154 ( -8.680 4.403 3.815) 10.454 4.740 ( 9.999 -9.251 16.752) 21.592 4.965 ( 3.362 -2.589 21.945) 22.351 5.352 ( 3.715 4.916 -10.098) 11.830 5.454 ( -4.344 11.956 -11.514) 17.158 6.077 ( 11.752 -6.471 -7.225) 15.237 6.381 ( 4.408 -1.248 -11.434) 12.318 6.816 ( 7.883 10.528 -10.980) 17.133 6.909 ( 9.026 7.003 -6.639) 13.213 7.336 ( -5.686 8.343 10.485) 14.556 7.595 ( -13.907 4.317 -10.784) 18.120 7.901 ( 2.385 1.969 1.639) 3.500 8.077 ( -4.446 8.157 1.867) 9.476 8.375 ( -4.584 -5.967 -3.224) 8.186 8.504 ( -4.182 -0.299 -7.967) 9.003 9.065 ( 7.194 -0.973 -0.792) 7.303 9.156 ( 7.884 3.386 -2.482) 8.932 9.548 ( 14.795 -2.381 6.703) 16.417 9.741 ( 14.172 3.997 -2.413) 14.921 10.855 ( -2.165 -3.274 2.696) 4.762 11.005 ( -2.962 3.368 3.387) 5.620 11.410 ( -2.043 -6.211 2.335) 6.943 11.551 ( -6.500 -3.962 0.419) 7.623 11.733 ( -8.096 -4.917 1.927) 9.666 11.948 ( -11.418 3.900 4.317) 12.815 12.379 ( -5.346 -5.690 -1.554) 7.960 12.447 ( -2.508 -4.184 0.706) 4.929 13.029 ( -3.022 1.365 8.946) 9.541 13.106 ( -11.249 5.383 15.980) 20.270 13.349 ( 4.438 -2.113 -7.328) 8.824 13.544 ( -4.184 5.648 -8.339) 10.906 14.615 ( 8.222 -4.785 11.159) 14.663 14.752 ( 2.957 -8.005 5.017) 9.899 15.467 ( -8.893 -2.585 -4.385) 10.247 15.619 ( -8.369 1.759 -9.867) 13.057 16.504 ( 16.748 -17.921 -0.116) 24.529 17.032 ( 2.165 3.644 -4.454) 6.148 17.731 ( 7.768 -12.436 4.373) 15.301 17.868 ( 0.409 -13.871 -5.903) 15.080 18.361 ( -6.945 -12.209 1.667) 14.145 18.589 ( -3.326 -5.757 -0.940) 6.715 19.899 ( 0.603 -11.168 0.561) 11.199 20.373 ( -9.567 7.473 0.146) 12.140 23.738 ( 26.013 5.895 10.745) 28.756 24.163 ( 12.945 9.719 -14.034) 21.424 25.255 ( -14.851 -2.975 6.558) 16.504 25.460 ( -16.667 0.169 -5.107) 17.432 ======================= Grid point 258 (53/63) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 5.563 -0.825 5.785) 8.068 2.133 ( -3.335 2.598 5.054) 6.590 2.944 ( 4.556 -1.558 -0.152) 4.817 3.005 ( -2.229 -2.010 -5.445) 6.217 3.448 ( 15.049 -11.628 0.979) 19.043 3.675 ( -1.264 -2.049 0.117) 2.410 3.785 ( -0.199 -1.667 0.910) 1.910 3.963 ( -11.066 4.050 0.610) 11.800 4.912 ( 6.454 -6.369 22.982) 24.706 4.978 ( -1.142 -4.953 23.279) 23.828 5.385 ( 0.263 4.443 -12.508) 13.277 5.402 ( -1.105 0.153 -14.487) 14.530 6.290 ( 8.982 -3.639 -6.711) 11.788 6.401 ( -2.437 -2.676 -8.407) 9.153 6.964 ( 7.042 14.056 -9.252) 18.242 7.037 ( 1.735 12.793 -9.013) 15.745 7.280 ( 1.103 5.088 4.967) 7.196 7.380 ( -8.273 3.211 -3.835) 9.667 7.949 ( 2.434 5.258 2.881) 6.471 8.002 ( -3.293 6.769 1.995) 7.787 8.312 ( -0.181 -5.499 -6.607) 8.597 8.384 ( -6.541 -2.497 -9.223) 11.579 9.162 ( 3.339 0.291 -2.634) 4.262 9.201 ( -0.735 2.976 -2.524) 3.971 9.873 ( 13.551 -0.602 7.594) 15.545 9.957 ( 5.344 1.922 1.535) 5.883 10.836 ( 1.635 -3.230 1.439) 3.896 10.925 ( -5.753 0.530 1.040) 5.870 11.400 ( 0.993 -5.808 1.882) 6.186 11.450 ( -4.056 -4.552 2.030) 6.426 11.650 ( 0.592 -0.538 1.013) 1.291 11.749 ( -8.679 3.701 1.282) 9.522 12.340 ( 0.933 -6.570 0.699) 6.673 12.391 ( -3.430 -6.121 1.303) 7.136 12.953 ( -2.417 10.034 12.094) 15.899 12.973 ( -3.617 8.016 10.759) 13.896 13.433 ( 3.754 -0.551 -7.166) 8.109 13.489 ( -2.265 1.827 -8.575) 9.056 14.719 ( 3.260 -10.120 13.019) 16.809 14.765 ( -1.425 -12.264 9.815) 15.772 15.404 ( 1.757 0.685 -8.673) 8.876 15.485 ( -5.782 2.890 -9.994) 11.903 16.801 ( 13.636 -15.384 -0.816) 20.574 17.001 ( -6.262 -7.732 -2.705) 10.311 17.799 ( 3.028 -10.276 0.741) 10.738 17.873 ( -2.776 -9.311 -2.749) 10.097 18.339 ( 5.166 -18.324 0.522) 19.046 18.482 ( -7.617 -14.578 0.016) 16.448 19.985 ( 7.847 0.695 0.307) 7.884 20.172 ( -10.795 6.737 0.235) 12.727 24.161 ( 17.310 5.039 7.461) 19.512 24.332 ( 1.561 4.786 -5.945) 7.790 25.046 ( -3.800 -0.792 2.139) 4.432 25.161 ( -13.232 -0.007 -5.161) 14.203 ======================= Grid point 266 (54/63) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 5.634 5.634 1.693) 8.145 2.004 ( 13.479 13.479 6.367) 20.097 2.074 ( 7.249 7.249 10.125) 14.408 2.483 ( 9.883 9.883 11.418) 18.048 3.253 ( -6.109 -6.109 -2.990) 9.142 3.623 ( 6.015 6.015 4.757) 9.747 3.774 ( -1.768 -1.768 -2.230) 3.351 4.389 ( -0.452 -0.452 -7.081) 7.110 4.501 ( -7.241 -7.241 9.991) 14.307 4.748 ( 8.605 8.605 13.797) 18.397 5.180 ( 16.156 16.156 2.624) 22.998 5.748 ( -8.839 -8.839 -14.016) 18.780 5.994 ( 14.692 14.692 -4.833) 21.333 6.049 ( -2.622 -2.622 -15.960) 16.385 6.723 ( 6.751 6.751 -15.047) 17.821 6.732 ( 4.278 4.278 -4.416) 7.491 7.530 ( 4.060 4.060 14.564) 15.655 7.880 ( 6.514 6.514 4.117) 10.090 8.068 ( 5.952 5.952 5.229) 9.909 8.146 ( -5.430 -5.430 -14.841) 16.711 8.369 ( 3.503 3.503 3.231) 5.914 8.373 ( 7.682 7.682 -2.861) 11.235 8.718 ( -4.737 -4.737 -4.720) 8.195 8.914 ( -2.108 -2.108 0.706) 3.064 9.410 ( 8.417 8.417 -1.757) 12.033 9.513 ( 1.569 1.569 -3.919) 4.504 10.852 ( -0.796 -0.796 3.006) 3.210 11.149 ( 2.644 2.644 2.951) 4.764 11.494 ( -10.603 -10.603 8.296) 17.137 11.752 ( -9.000 -9.000 4.306) 13.437 11.913 ( -8.549 -8.549 -5.214) 13.166 12.270 ( -8.332 -8.332 10.628) 15.868 12.610 ( -13.093 -13.093 2.702) 18.713 12.625 ( 2.634 2.634 1.410) 3.983 13.024 ( -2.800 -2.800 -2.201) 4.530 13.040 ( -7.596 -7.596 -8.381) 13.625 13.677 ( -8.297 -8.297 30.864) 33.019 13.787 ( 6.871 6.871 6.597) 11.745 14.303 ( 1.995 1.995 -12.157) 12.480 14.663 ( -3.712 -3.712 -0.437) 5.268 15.583 ( 3.863 3.863 -5.048) 7.438 15.836 ( -11.457 -11.457 -6.866) 17.597 16.051 ( -6.497 -6.497 -0.778) 9.221 17.161 ( 1.776 1.776 0.073) 2.513 17.244 ( 0.404 0.404 0.223) 0.613 17.687 ( -2.944 -2.944 -1.390) 4.389 18.538 ( -7.954 -7.954 4.845) 12.247 18.648 ( -6.642 -6.642 -4.565) 10.444 19.742 ( -12.223 -12.223 0.062) 17.286 20.620 ( -0.518 -0.518 -0.542) 0.911 22.848 ( 27.602 27.602 3.165) 39.163 23.939 ( 17.708 17.708 -10.685) 27.227 25.645 ( -10.441 -10.441 4.712) 15.500 25.957 ( -8.327 -8.327 -2.391) 12.017 ======================= Grid point 267 (55/63) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 7.229 -2.277 1.957) 7.828 2.199 ( 7.090 7.412 8.508) 13.327 2.317 ( 16.129 -3.962 7.383) 18.175 2.701 ( 12.458 4.349 8.251) 15.563 3.103 ( -7.950 -9.321 -5.597) 13.468 3.648 ( -1.906 4.008 -0.095) 4.439 3.810 ( 2.790 -7.436 -0.253) 7.946 4.330 ( -5.123 0.882 3.703) 6.382 4.453 ( 1.492 -7.093 4.810) 8.699 4.863 ( 2.995 -0.230 22.852) 23.048 5.436 ( 3.818 12.034 -8.268) 15.092 5.679 ( 7.625 -3.945 -7.302) 11.271 5.946 ( -3.862 10.985 -15.260) 19.195 6.286 ( 10.572 8.634 -7.629) 15.637 6.822 ( 6.708 5.182 -6.125) 10.458 6.858 ( 7.893 4.658 -9.590) 13.265 7.556 ( -2.292 2.681 8.541) 9.241 7.896 ( -6.861 1.373 -9.473) 11.777 8.018 ( -0.656 15.455 0.854) 15.493 8.280 ( 2.822 1.687 2.926) 4.401 8.360 ( -4.419 1.802 0.680) 4.821 8.514 ( 8.405 2.177 0.920) 8.730 8.778 ( 14.448 -4.259 -4.106) 15.613 8.906 ( 3.239 -3.938 -1.057) 5.207 9.500 ( -2.023 2.709 -2.773) 4.372 9.632 ( 13.083 10.585 -2.595) 17.027 10.847 ( -0.340 -0.369 2.989) 3.031 11.141 ( -4.001 3.711 5.685) 7.881 11.322 ( -5.592 -10.591 3.984) 12.622 11.592 ( -7.495 -6.251 4.981) 10.958 11.744 ( -8.684 -10.074 -2.618) 13.555 12.130 ( -6.467 -3.664 13.992) 15.843 12.416 ( -6.431 -5.963 -5.072) 10.131 12.564 ( -9.151 5.798 -2.164) 11.047 12.926 ( -1.625 -9.271 3.203) 9.942 13.053 ( 3.677 -11.309 -6.446) 13.526 13.483 ( -9.913 1.270 22.227) 24.371 13.846 ( -2.424 12.738 2.364) 13.180 14.362 ( 6.101 -4.958 -12.097) 14.427 14.625 ( -1.896 -4.148 9.582) 10.612 15.581 ( -13.488 -9.374 -4.170) 16.947 15.707 ( 3.156 -4.274 -6.065) 8.063 15.958 ( 1.127 -8.301 -2.971) 8.889 17.170 ( -5.744 5.874 -0.936) 8.269 17.277 ( 8.835 -8.485 0.290) 12.253 17.591 ( -5.895 -19.758 -2.255) 20.742 18.329 ( -12.864 -13.287 2.934) 18.725 18.516 ( -7.997 -11.584 -1.677) 14.175 19.666 ( 3.195 -5.693 -0.129) 6.530 20.580 ( -3.808 0.992 -0.468) 3.962 23.410 ( 28.830 18.139 5.945) 34.576 24.190 ( 9.551 12.457 -10.362) 18.809 25.421 ( -12.656 -8.024 4.547) 15.660 25.733 ( -14.337 -5.334 -2.674) 15.529 ======================= Grid point 268 (56/63) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 8.229 -6.751 3.143) 11.098 2.248 ( -2.241 2.398 8.304) 8.929 2.664 ( 19.023 -9.750 5.123) 21.981 2.925 ( 9.794 -0.518 2.757) 10.188 2.998 ( -2.210 -7.572 -4.429) 9.046 3.629 ( 0.936 -0.353 -0.142) 1.010 3.786 ( -5.870 -7.379 -1.265) 9.514 4.219 ( -7.036 2.261 6.298) 9.710 4.516 ( 5.507 -13.143 8.473) 16.579 4.880 ( -0.669 -6.539 23.639) 24.535 5.414 ( -1.284 1.828 -17.742) 17.882 5.761 ( -6.152 17.600 -7.248) 20.003 6.037 ( 14.430 3.080 -7.308) 16.465 6.412 ( 3.368 7.069 -6.284) 10.040 7.004 ( 11.338 6.083 -3.797) 13.415 7.040 ( 10.821 6.792 -8.371) 15.274 7.471 ( -5.283 3.390 0.415) 6.291 7.699 ( -11.211 5.795 -6.108) 14.021 8.075 ( 3.971 16.490 3.556) 17.330 8.218 ( -5.894 -4.840 -0.633) 7.653 8.255 ( -4.966 4.543 0.813) 6.780 8.513 ( -5.797 2.521 -6.823) 9.301 9.002 ( 7.412 -4.946 -0.519) 8.926 9.241 ( 17.366 4.691 -0.662) 18.001 9.486 ( 7.935 -3.541 1.586) 8.832 9.888 ( 12.593 10.806 -1.981) 16.711 10.809 ( -3.863 -1.565 3.915) 5.718 11.050 ( -4.725 0.975 5.862) 7.592 11.260 ( -2.001 -8.542 -2.332) 9.078 11.460 ( -6.327 -5.067 5.083) 9.568 11.613 ( -3.508 -7.319 0.667) 8.143 12.008 ( -7.223 2.161 11.669) 13.893 12.317 ( -5.214 -0.550 -9.838) 11.148 12.384 ( -6.778 -1.564 0.341) 6.965 12.940 ( 2.749 -9.843 7.283) 12.549 13.119 ( 0.903 -5.796 4.272) 7.257 13.369 ( 0.020 4.899 6.372) 8.038 13.741 ( -7.081 13.552 -2.702) 15.527 14.479 ( 3.634 -9.306 -1.991) 10.187 14.551 ( -5.316 -12.272 9.570) 16.445 15.379 ( -5.625 -6.611 -3.773) 9.465 15.648 ( -6.035 0.821 -6.334) 8.787 16.138 ( 13.876 -19.091 -3.534) 23.864 17.009 ( -11.689 -7.586 -2.943) 14.242 17.459 ( 7.867 -14.001 2.800) 16.302 17.541 ( 3.238 -17.218 -3.912) 17.952 18.084 ( -11.672 -15.852 2.024) 19.789 18.328 ( -11.331 -19.453 -0.389) 22.516 19.812 ( 10.700 1.620 -0.000) 10.822 20.468 ( -7.970 2.720 -0.213) 8.425 23.913 ( 23.062 11.503 8.402) 27.107 24.345 ( 7.070 8.139 -10.522) 15.064 25.175 ( -12.206 -5.341 4.174) 13.963 25.434 ( -16.099 -3.422 -3.373) 16.801 ======================= Grid point 269 (57/63) ======================= q-point: ( 0.45 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 8.546 -6.628 4.653) 11.774 2.143 ( -7.576 -3.104 6.365) 10.371 2.930 ( 5.848 0.752 0.246) 5.901 2.985 ( -0.861 0.439 -0.373) 1.036 3.155 ( 17.506 -18.096 -0.493) 25.183 3.504 ( -16.145 -14.577 -0.307) 21.754 3.804 ( 10.354 1.465 1.582) 10.576 4.035 ( -11.864 3.196 2.853) 12.614 4.669 ( 9.426 -16.005 15.245) 24.030 4.825 ( -5.697 -12.293 20.804) 24.827 5.445 ( 4.947 6.764 -15.759) 17.849 5.593 ( -9.523 14.566 -12.474) 21.412 6.290 ( 10.418 3.990 -3.823) 11.792 6.420 ( -2.984 5.458 -4.087) 7.443 7.214 ( 9.386 6.418 -4.199) 12.121 7.249 ( 9.507 12.127 -7.338) 17.067 7.383 ( -3.418 2.520 -2.092) 4.734 7.488 ( -10.547 8.517 -3.933) 14.115 8.097 ( -1.297 4.817 5.858) 7.694 8.119 ( -3.750 -0.608 1.255) 4.001 8.245 ( 4.736 7.288 -6.534) 10.873 8.373 ( -7.717 5.381 -7.387) 11.962 9.137 ( 6.560 -2.769 -2.053) 7.410 9.253 ( -5.318 1.635 -2.899) 6.273 9.875 ( 19.403 1.439 8.142) 21.091 10.053 ( 1.713 8.067 2.327) 8.569 10.760 ( 1.593 -4.838 1.021) 5.195 10.903 ( -10.473 -2.794 -2.153) 11.051 11.263 ( 2.840 -7.818 1.681) 8.486 11.348 ( -5.351 -5.573 3.973) 8.688 11.647 ( 6.663 0.289 2.579) 7.151 11.827 ( -10.777 4.237 5.382) 12.769 12.257 ( -0.089 -1.623 -4.009) 4.326 12.296 ( -3.448 -3.298 -0.906) 4.857 13.014 ( 4.279 -4.553 10.331) 12.073 13.086 ( -3.032 0.848 12.336) 12.732 13.459 ( 7.055 4.230 -3.927) 9.115 13.600 ( -7.389 9.515 -4.504) 12.861 14.464 ( -2.053 -16.245 7.318) 17.935 14.479 ( -2.516 -15.330 2.599) 15.751 15.387 ( 5.278 -2.833 -4.401) 7.433 15.519 ( -7.280 0.038 -5.206) 8.950 16.428 ( 15.915 -22.349 -3.775) 27.695 16.737 ( -15.773 -19.493 -3.664) 25.342 17.572 ( 6.030 -11.731 0.970) 13.226 17.649 ( 1.469 -12.906 -1.091) 13.035 17.947 ( 0.678 -20.613 1.056) 20.651 18.100 ( -11.669 -22.602 -0.031) 25.436 20.042 ( 12.674 4.311 0.058) 13.387 20.278 ( -11.445 4.165 -0.008) 12.179 24.280 ( 14.573 6.698 6.719) 17.389 24.433 ( -0.254 5.031 -4.376) 6.673 25.015 ( -1.725 -2.506 0.528) 3.088 25.144 ( -12.924 -2.071 -3.897) 13.656 ======================= Grid point 278 (58/63) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -1.270 -1.270 1.456) 2.312 2.244 ( 1.346 1.346 6.990) 7.245 2.334 ( 1.112 1.112 11.088) 11.199 2.834 ( 8.159 8.159 8.279) 14.202 2.958 ( -3.413 -3.413 -5.931) 7.647 3.619 ( -5.665 -5.665 -0.874) 8.059 3.751 ( -1.136 -1.136 -1.900) 2.488 4.280 ( -6.713 -6.713 12.347) 15.575 4.369 ( -0.606 -0.606 -2.629) 2.765 4.810 ( -4.796 -4.796 23.243) 24.212 5.470 ( -3.865 -3.865 -20.028) 20.760 5.837 ( 16.868 16.868 1.220) 23.886 6.084 ( 4.235 4.235 -14.140) 15.356 6.560 ( 13.882 13.882 -3.588) 19.957 6.890 ( 2.839 2.839 -9.772) 10.565 6.938 ( 6.887 6.887 -3.610) 10.387 7.559 ( -2.219 -2.219 0.352) 3.157 7.865 ( -4.417 -4.417 -4.672) 7.801 8.179 ( -7.872 -7.872 -5.078) 12.236 8.382 ( 12.946 12.946 5.198) 19.032 8.443 ( -0.198 -0.198 3.472) 3.483 8.571 ( 7.380 7.380 2.757) 10.795 8.832 ( 14.673 14.673 -3.978) 21.128 8.848 ( -0.605 -0.605 0.121) 0.864 9.504 ( -2.229 -2.229 -5.050) 5.954 9.873 ( 13.240 13.240 -3.026) 18.967 10.864 ( 1.407 1.407 2.900) 3.517 11.079 ( -10.740 -10.740 7.902) 17.122 11.234 ( 2.747 2.747 4.790) 6.167 11.480 ( -5.328 -5.328 5.749) 9.478 11.531 ( -11.255 -11.255 -3.074) 16.212 12.074 ( -1.777 -1.777 14.881) 15.092 12.341 ( -2.087 -2.087 -5.969) 6.659 12.663 ( -1.384 -1.384 6.267) 6.565 12.714 ( -8.682 -8.682 -6.704) 13.989 12.880 ( -3.498 -3.498 -8.436) 9.780 13.475 ( -1.390 -1.390 23.132) 23.216 14.080 ( 7.674 7.674 8.794) 13.968 14.243 ( -4.524 -4.524 -20.844) 21.804 14.498 ( -9.275 -9.275 12.271) 17.962 15.375 ( -11.038 -11.038 -4.730) 16.311 15.673 ( 0.408 0.408 -6.734) 6.759 15.823 ( -5.735 -5.735 -2.763) 8.569 17.141 ( -21.885 -21.885 -3.729) 31.174 17.191 ( -0.167 -0.167 0.459) 0.516 17.261 ( 0.485 0.485 -0.046) 0.688 18.050 ( -14.840 -14.840 2.799) 21.173 18.234 ( -15.987 -15.987 -1.012) 22.632 19.711 ( 7.889 7.889 -0.256) 11.159 20.567 ( -2.415 -2.415 -0.509) 3.453 23.790 ( 20.024 20.024 6.865) 29.139 24.365 ( 6.449 6.449 -9.391) 13.090 25.246 ( -10.013 -10.013 3.555) 14.600 25.569 ( -11.295 -11.295 -2.398) 16.152 ======================= Grid point 279 (59/63) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.507 -10.468 1.969) 11.214 2.202 ( -9.251 -6.958 8.137) 14.149 2.406 ( 11.105 -15.405 5.748) 19.841 2.924 ( 3.660 2.772 -1.636) 4.874 3.033 ( 5.638 7.000 4.912) 10.242 3.510 ( -9.848 -10.241 -1.841) 14.326 3.646 ( -4.033 -10.209 1.695) 11.107 4.220 ( -0.220 -2.389 11.519) 11.766 4.337 ( -2.452 -2.447 -0.450) 3.493 4.684 ( -7.798 -14.296 17.618) 23.991 5.473 ( 5.075 6.046 -14.647) 16.639 6.072 ( -3.475 13.339 -10.622) 17.402 6.177 ( 14.200 10.416 -3.013) 17.867 6.656 ( -0.974 16.647 -2.458) 16.856 7.082 ( 12.863 -1.288 -4.194) 13.591 7.120 ( 13.012 5.840 -7.376) 16.057 7.496 ( -3.261 0.911 -3.051) 4.557 7.741 ( -7.866 -2.229 -2.289) 8.490 8.026 ( -6.786 -11.148 -5.615) 14.208 8.310 ( -10.328 0.822 -0.126) 10.361 8.523 ( 4.259 22.218 3.419) 22.880 8.661 ( 0.504 12.487 -0.266) 12.500 8.915 ( 7.502 -2.642 0.884) 8.002 9.342 ( 26.363 6.996 2.433) 27.384 9.427 ( -0.501 -2.642 -2.888) 3.946 10.112 ( 11.045 11.179 -4.011) 16.218 10.788 ( -9.690 -1.325 6.783) 11.902 10.998 ( 2.694 -6.692 5.457) 9.045 11.160 ( -12.530 -0.643 -2.467) 12.787 11.359 ( -5.550 -5.822 5.630) 9.818 11.473 ( 5.945 -5.950 2.683) 8.828 12.046 ( -2.641 2.397 15.689) 16.089 12.307 ( -2.019 -1.254 -3.132) 3.932 12.426 ( -12.302 5.548 -10.688) 17.214 12.706 ( 2.179 -13.043 7.800) 15.352 12.948 ( 6.602 -10.270 -7.525) 14.342 13.454 ( -0.173 1.978 19.747) 19.847 13.986 ( -10.989 8.573 -7.137) 15.659 14.284 ( -6.522 -11.575 4.778) 14.119 14.306 ( -1.415 -9.170 2.151) 9.524 15.225 ( -2.683 -8.776 -2.864) 9.613 15.636 ( -6.276 -2.233 -4.493) 8.035 15.807 ( 5.703 -14.605 -5.951) 16.770 16.693 ( -22.667 -23.444 -4.876) 32.973 17.250 ( 5.617 -7.739 1.246) 9.644 17.318 ( 4.298 -5.345 -0.664) 6.891 17.786 ( -12.107 -14.332 2.964) 18.994 17.940 ( -14.327 -19.227 -0.880) 23.994 19.904 ( 11.269 6.709 -0.056) 13.115 20.484 ( -6.271 -0.938 -0.321) 6.349 24.143 ( 16.139 11.594 8.087) 21.454 24.463 ( 4.164 4.326 -8.867) 10.709 25.054 ( -9.128 -6.972 2.535) 11.762 25.324 ( -13.498 -7.774 -2.466) 15.771 ======================= Grid point 280 (60/63) ======================= q-point: ( 0.45 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 9.094 -14.912 3.568) 17.827 1.983 ( -12.030 -13.348 5.740) 18.864 2.711 ( 19.368 -23.216 2.537) 30.341 2.998 ( 1.446 2.539 1.694) 3.377 3.051 ( -3.081 -1.654 -0.226) 3.504 3.173 ( -17.994 -12.169 -0.659) 21.732 3.782 ( 13.856 -4.718 5.434) 15.613 4.071 ( -14.137 -0.284 6.623) 15.615 4.400 ( 7.182 -9.957 8.311) 14.825 4.540 ( -7.146 -15.143 12.457) 20.870 5.647 ( 12.015 13.324 -12.023) 21.597 5.894 ( -12.542 15.480 -12.171) 23.346 6.433 ( 11.191 10.076 -1.255) 15.111 6.596 ( -5.660 11.933 -1.775) 13.326 7.293 ( 9.327 2.148 -3.254) 10.110 7.364 ( 7.753 -0.961 -5.781) 9.718 7.458 ( 0.239 7.405 -5.613) 9.295 7.582 ( -8.297 -0.294 -4.463) 9.426 7.962 ( 1.508 -9.522 -4.073) 10.465 8.095 ( -10.765 -3.086 -1.821) 11.345 8.590 ( 2.925 21.866 2.272) 22.178 8.638 ( -2.078 18.205 0.728) 18.338 9.082 ( 9.165 -1.895 -1.377) 9.460 9.257 ( -8.874 -0.840 -3.951) 9.750 9.940 ( 25.658 5.260 10.291) 28.140 10.237 ( -2.254 9.876 2.865) 10.527 10.649 ( -0.392 -6.414 1.913) 6.704 10.832 ( -15.756 -4.071 -6.168) 17.403 11.122 ( 6.117 -6.425 2.809) 9.305 11.245 ( -6.360 -5.107 4.091) 9.125 11.662 ( 12.181 1.229 6.278) 13.759 11.904 ( -11.792 3.565 11.741) 17.018 12.266 ( -1.167 0.725 -4.112) 4.336 12.284 ( -3.006 3.973 -9.589) 10.806 12.829 ( 9.658 -13.313 10.200) 19.353 12.991 ( -4.313 -9.060 5.555) 11.469 13.517 ( 8.115 -2.798 4.932) 9.900 13.741 ( -13.623 0.050 -5.055) 14.530 14.182 ( 0.120 -8.656 3.939) 9.511 14.255 ( -5.417 -4.464 1.775) 7.241 15.290 ( 8.164 -7.098 -1.676) 10.947 15.475 ( -9.783 -4.826 -2.221) 11.132 15.992 ( 12.864 -21.700 -7.342) 26.273 16.294 ( -18.467 -24.825 -6.367) 31.589 17.377 ( 6.614 -9.381 2.628) 11.775 17.419 ( 4.798 -9.268 -1.193) 10.504 17.604 ( -5.308 -14.363 2.522) 15.518 17.691 ( -11.102 -18.636 -0.827) 21.708 20.125 ( 11.385 3.908 -0.010) 12.037 20.329 ( -9.632 1.162 -0.115) 9.703 24.396 ( 9.908 4.957 5.883) 12.544 24.508 ( -1.058 2.552 -3.039) 4.107 24.951 ( 0.378 -3.935 -0.589) 3.997 25.079 ( -11.144 -4.563 -2.767) 12.356 ======================= Grid point 290 (61/63) ======================= q-point: ( 0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -6.465 -6.465 1.452) 9.257 1.981 ( -16.182 -16.182 6.763) 23.863 2.195 ( -3.279 -3.279 4.694) 6.598 3.010 ( -0.004 -0.004 1.469) 1.469 3.045 ( -8.648 -8.648 -1.230) 12.291 3.404 ( -0.580 -0.580 11.431) 11.460 3.406 ( -4.664 -4.664 -2.668) 7.116 4.212 ( 0.176 0.176 10.229) 10.232 4.339 ( -0.911 -0.911 2.029) 2.403 4.367 ( -14.723 -14.723 11.383) 23.730 5.658 ( 12.516 12.516 -10.709) 20.687 6.219 ( 1.828 1.828 -14.879) 15.102 6.414 ( 12.862 12.862 -0.141) 18.190 6.944 ( 4.752 4.752 1.959) 6.999 7.033 ( 4.338 4.338 -4.319) 7.503 7.254 ( 7.274 7.274 -9.902) 14.279 7.554 ( 5.675 5.675 -2.404) 8.379 7.638 ( -7.506 -7.506 -0.817) 10.647 7.821 ( -9.220 -9.220 -7.656) 15.120 8.240 ( -7.177 -7.177 -4.444) 11.080 8.779 ( 4.717 4.717 3.731) 7.644 8.910 ( 8.759 8.759 2.210) 12.583 8.983 ( 9.493 9.493 1.545) 13.514 9.359 ( -4.237 -4.237 -6.329) 8.715 9.605 ( 21.217 21.217 9.464) 31.463 10.293 ( 7.826 7.826 -6.589) 12.880 10.688 ( -9.310 -9.310 8.788) 15.830 10.942 ( 2.288 2.288 3.176) 4.534 11.065 ( -12.496 -12.496 -1.921) 17.776 11.253 ( -4.631 -4.631 5.676) 8.666 11.478 ( 7.678 7.678 6.265) 12.536 12.082 ( -0.992 -0.992 20.878) 20.925 12.291 ( 0.785 0.785 -4.058) 4.207 12.502 ( -5.690 -5.690 9.024) 12.091 12.502 ( -1.693 -1.693 -14.554) 14.750 12.810 ( -0.848 -0.848 -11.868) 11.929 13.389 ( -8.674 -8.674 21.252) 24.538 13.878 ( -16.601 -16.601 -14.756) 27.729 14.127 ( -0.531 -0.531 2.733) 2.835 14.336 ( 5.315 5.315 12.341) 14.450 15.088 ( -3.690 -3.690 -2.060) 5.611 15.546 ( -9.380 -9.380 -1.195) 13.319 15.611 ( -3.182 -3.182 -10.883) 11.777 16.225 ( -23.106 -23.106 -7.331) 33.489 17.168 ( -0.711 -0.711 0.620) 1.181 17.283 ( 0.628 0.628 0.795) 1.192 17.548 ( -10.598 -10.598 4.134) 15.547 17.621 ( -13.501 -13.501 -1.725) 19.171 20.043 ( 7.552 7.552 -0.002) 10.680 20.433 ( -4.264 -4.264 -0.234) 6.034 24.338 ( 8.388 8.388 7.582) 14.078 24.522 ( 2.074 2.074 -6.930) 7.525 24.926 ( -5.600 -5.600 0.959) 7.977 25.153 ( -9.449 -9.449 -1.905) 13.498 ======================= Grid point 291 (62/63) ======================= q-point: ( 0.45 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 5.412 -16.429 2.251) 17.443 1.663 ( -15.078 -18.685 4.393) 24.409 2.284 ( 12.193 -18.944 2.912) 22.716 2.630 ( -22.207 -25.147 0.259) 33.550 3.127 ( 5.232 5.819 0.379) 7.835 3.236 ( -6.682 6.160 0.899) 9.132 3.647 ( 15.710 -7.015 11.217) 20.539 3.973 ( -17.906 -10.167 13.174) 24.445 4.302 ( 2.715 -1.426 5.240) 6.072 4.341 ( -1.077 -4.462 5.050) 6.824 5.919 ( 13.716 14.105 -11.216) 22.647 6.146 ( -8.807 9.947 -13.664) 19.058 6.644 ( 11.000 11.122 -0.482) 15.650 6.835 ( -8.764 11.762 -0.532) 14.678 7.245 ( 10.591 -6.115 -1.281) 12.297 7.373 ( 2.211 0.941 -5.254) 5.778 7.494 ( -3.725 -6.591 -3.232) 8.232 7.580 ( -6.393 2.711 -7.709) 10.375 7.820 ( 10.929 -2.299 -4.985) 12.230 8.054 ( -11.663 -1.077 -5.144) 12.793 8.866 ( 5.249 4.639 1.749) 7.220 8.956 ( -2.659 9.467 2.346) 10.109 9.151 ( 7.169 10.806 0.334) 12.972 9.265 ( -5.248 4.030 -4.059) 7.763 10.073 ( 23.847 8.541 14.635) 29.254 10.392 ( -4.067 5.597 2.869) 7.490 10.530 ( 0.410 -5.421 1.273) 5.584 10.755 ( -17.196 -4.044 -5.491) 18.498 11.031 ( 5.986 -2.851 3.063) 7.304 11.150 ( -6.046 -4.780 3.523) 8.475 11.702 ( 13.645 3.447 10.553) 17.591 11.952 ( -11.270 0.973 17.138) 20.534 12.317 ( 1.461 4.236 -6.208) 7.656 12.391 ( -6.403 4.472 -10.573) 13.144 12.569 ( 11.767 -10.668 9.385) 18.449 12.802 ( -7.489 -8.046 1.649) 11.115 13.286 ( 4.618 -18.080 1.027) 18.688 13.534 ( -17.390 -17.268 -12.320) 27.430 14.209 ( 7.196 8.169 7.130) 13.013 14.341 ( -4.872 9.264 11.190) 15.322 15.132 ( 7.895 -8.482 -0.449) 11.596 15.334 ( -11.682 -9.585 -0.054) 15.111 15.643 ( 6.161 -13.517 -12.078) 19.145 15.850 ( -15.359 -19.897 -10.418) 27.209 17.212 ( 4.957 -6.309 1.022) 8.089 17.313 ( 0.057 -3.292 1.129) 3.481 17.372 ( -5.404 -10.331 2.417) 11.907 17.431 ( -6.676 -7.908 -0.129) 10.350 20.189 ( 7.516 2.873 -0.018) 8.046 20.327 ( -6.603 -1.279 -0.105) 6.726 24.464 ( 4.981 2.254 4.168) 6.875 24.532 ( -1.649 0.084 -1.375) 2.148 24.881 ( 1.771 -2.845 -1.168) 3.549 24.982 ( -7.805 -5.086 -1.733) 9.475 ======================= Grid point 302 (63/63) ======================= q-point: ( 0.45 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -4.348 -4.348 1.455) 6.319 1.331 ( -13.540 -13.540 2.475) 19.308 2.063 ( -2.465 -2.465 3.364) 4.844 2.207 ( -16.581 -16.581 2.025) 23.536 3.224 ( 4.236 4.236 -1.307) 6.131 3.287 ( -1.513 -1.513 -3.678) 4.255 3.609 ( 4.051 4.051 17.750) 18.652 3.758 ( -10.419 -10.419 16.198) 21.898 4.300 ( 0.492 0.492 4.670) 4.721 4.309 ( -0.493 -0.493 4.161) 4.219 6.155 ( 9.441 9.441 -13.405) 18.920 6.249 ( 0.202 0.202 -15.172) 15.175 6.845 ( 9.749 9.749 -0.212) 13.789 6.982 ( -0.586 -0.586 0.267) 0.871 7.152 ( 1.277 1.277 -1.498) 2.346 7.284 ( -8.654 -8.654 -0.486) 12.248 7.458 ( 2.400 2.400 -3.504) 4.878 7.531 ( -4.773 -4.773 -4.578) 8.156 7.912 ( 7.908 7.908 -8.580) 14.096 8.025 ( -3.162 -3.162 -8.627) 9.717 8.904 ( 2.133 2.133 0.240) 3.027 8.970 ( -3.827 -3.827 0.160) 5.415 9.349 ( 6.941 6.941 0.487) 9.829 9.381 ( 3.786 3.786 -0.715) 5.402 10.254 ( 9.254 9.254 17.183) 21.600 10.394 ( -5.280 -5.280 12.979) 14.973 10.521 ( 5.310 5.310 -8.182) 11.106 10.655 ( -6.918 -6.918 -3.956) 10.553 11.015 ( 1.145 1.145 3.244) 3.625 11.066 ( -3.810 -3.810 3.069) 6.201 11.805 ( 6.944 6.944 14.504) 17.516 11.925 ( -4.184 -4.184 17.556) 18.526 12.321 ( -2.870 -2.870 8.761) 9.656 12.352 ( -4.325 -4.325 1.462) 6.288 12.590 ( 10.189 10.189 -5.814) 15.539 12.783 ( -0.472 -0.472 -11.524) 11.543 12.979 ( -5.764 -5.764 -4.475) 9.299 13.187 ( -17.469 -17.469 -13.938) 28.366 14.388 ( 8.701 8.701 12.915) 17.838 14.472 ( 1.719 1.719 15.988) 16.172 15.026 ( -0.412 -0.412 -1.216) 1.348 15.134 ( -9.860 -9.860 0.480) 13.953 15.493 ( -2.058 -2.058 -15.559) 15.829 15.564 ( -9.461 -9.461 -14.716) 19.889 17.150 ( -0.194 -0.194 0.714) 0.765 17.201 ( -5.431 -5.431 1.007) 7.746 17.304 ( 0.344 0.344 1.740) 1.806 17.335 ( -2.961 -2.961 1.608) 4.485 20.240 ( 2.560 2.560 -0.031) 3.621 20.289 ( -2.433 -2.433 -0.063) 3.441 24.494 ( 1.200 1.200 1.963) 2.595 24.518 ( -1.245 -1.245 0.377) 1.800 24.857 ( 0.511 0.511 -1.121) 1.334 24.897 ( -3.464 -3.464 -1.108) 5.023 =================== 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 3/32670 10.0 2065.273 2065.273 1976.217 0.000 0.000 0.000 3/32670 20.0 395.746 395.746 308.462 0.000 -0.000 0.000 3/32670 30.0 180.050 180.050 146.476 0.000 -0.000 0.000 3/32670 40.0 113.065 113.065 90.886 0.000 -0.000 0.000 3/32670 50.0 80.903 80.903 64.020 0.000 -0.000 0.000 3/32670 60.0 61.800 61.800 48.289 0.000 -0.000 0.000 3/32670 70.0 49.111 49.111 38.009 0.000 -0.000 0.000 3/32670 80.0 40.139 40.139 30.833 0.000 -0.000 0.000 3/32670 90.0 33.538 33.538 25.605 0.000 -0.000 0.000 3/32670 100.0 28.541 28.541 21.681 0.000 -0.000 0.000 3/32670 110.0 24.671 24.671 18.664 0.000 -0.000 0.000 3/32670 120.0 21.617 21.617 16.298 0.000 -0.000 0.000 3/32670 130.0 19.167 19.167 14.410 0.000 -0.000 0.000 3/32670 140.0 17.171 17.171 12.880 0.000 -0.000 0.000 3/32670 150.0 15.524 15.524 11.622 0.000 -0.000 0.000 3/32670 160.0 14.148 14.148 10.575 0.000 -0.000 0.000 3/32670 170.0 12.986 12.986 9.694 0.000 -0.000 0.000 3/32670 180.0 11.994 11.994 8.943 0.000 -0.000 0.000 3/32670 190.0 11.140 11.140 8.298 0.000 -0.000 0.000 3/32670 200.0 10.398 10.398 7.738 0.000 -0.000 0.000 3/32670 210.0 9.749 9.749 7.249 0.000 -0.000 0.000 3/32670 220.0 9.177 9.177 6.818 0.000 -0.000 0.000 3/32670 230.0 8.669 8.669 6.435 0.000 -0.000 0.000 3/32670 240.0 8.215 8.215 6.094 0.000 -0.000 0.000 3/32670 250.0 7.808 7.808 5.788 0.000 -0.000 0.000 3/32670 260.0 7.440 7.440 5.512 0.000 -0.000 0.000 3/32670 270.0 7.106 7.106 5.262 0.000 -0.000 0.000 3/32670 280.0 6.802 6.802 5.034 0.000 -0.000 0.000 3/32670 290.0 6.524 6.524 4.825 0.000 -0.000 0.000 3/32670 300.0 6.269 6.269 4.634 0.000 -0.000 0.000 3/32670 310.0 6.033 6.033 4.458 0.000 -0.000 0.000 3/32670 320.0 5.816 5.816 4.295 0.000 -0.000 0.000 3/32670 330.0 5.614 5.614 4.144 0.000 -0.000 0.000 3/32670 340.0 5.426 5.426 4.003 0.000 -0.000 0.000 3/32670 350.0 5.251 5.251 3.872 0.000 -0.000 0.000 3/32670 360.0 5.088 5.088 3.750 0.000 -0.000 0.000 3/32670 370.0 4.934 4.934 3.636 0.000 -0.000 0.000 3/32670 380.0 4.790 4.790 3.528 0.000 -0.000 0.000 3/32670 390.0 4.655 4.655 3.427 0.000 -0.000 0.000 3/32670 400.0 4.527 4.527 3.332 0.000 -0.000 0.000 3/32670 410.0 4.406 4.406 3.242 0.000 -0.000 0.000 3/32670 420.0 4.292 4.292 3.157 0.000 -0.000 0.000 3/32670 430.0 4.184 4.184 3.076 0.000 -0.000 0.000 3/32670 440.0 4.081 4.081 3.000 0.000 -0.000 0.000 3/32670 450.0 3.984 3.984 2.927 0.000 -0.000 0.000 3/32670 460.0 3.891 3.891 2.858 0.000 -0.000 0.000 3/32670 470.0 3.802 3.802 2.793 0.000 -0.000 0.000 3/32670 480.0 3.718 3.718 2.730 0.000 -0.000 0.000 3/32670 490.0 3.637 3.637 2.670 0.000 -0.000 0.000 3/32670 500.0 3.560 3.560 2.613 0.000 -0.000 0.000 3/32670 510.0 3.486 3.486 2.558 0.000 -0.000 0.000 3/32670 520.0 3.415 3.415 2.505 0.000 -0.000 0.000 3/32670 530.0 3.347 3.347 2.455 0.000 -0.000 0.000 3/32670 540.0 3.282 3.282 2.407 0.000 -0.000 0.000 3/32670 550.0 3.219 3.219 2.361 0.000 -0.000 0.000 3/32670 560.0 3.159 3.159 2.316 0.000 -0.000 0.000 3/32670 570.0 3.101 3.101 2.273 0.000 -0.000 0.000 3/32670 580.0 3.046 3.046 2.232 0.000 -0.000 0.000 3/32670 590.0 2.992 2.992 2.192 0.000 -0.000 0.000 3/32670 600.0 2.940 2.940 2.154 0.000 -0.000 0.000 3/32670 610.0 2.890 2.890 2.117 0.000 -0.000 0.000 3/32670 620.0 2.841 2.841 2.081 0.000 -0.000 0.000 3/32670 630.0 2.795 2.795 2.046 0.000 -0.000 0.000 3/32670 640.0 2.749 2.749 2.013 0.000 -0.000 0.000 3/32670 650.0 2.706 2.706 1.981 0.000 -0.000 0.000 3/32670 660.0 2.663 2.663 1.950 0.000 -0.000 0.000 3/32670 670.0 2.622 2.622 1.919 0.000 -0.000 0.000 3/32670 680.0 2.583 2.583 1.890 0.000 -0.000 0.000 3/32670 690.0 2.544 2.544 1.862 0.000 -0.000 0.000 3/32670 700.0 2.507 2.507 1.834 0.000 -0.000 0.000 3/32670 710.0 2.470 2.470 1.807 0.000 -0.000 0.000 3/32670 720.0 2.435 2.435 1.781 0.000 -0.000 0.000 3/32670 730.0 2.401 2.401 1.756 0.000 -0.000 0.000 3/32670 740.0 2.368 2.368 1.732 0.000 -0.000 0.000 3/32670 750.0 2.335 2.335 1.708 0.000 -0.000 0.000 3/32670 760.0 2.304 2.304 1.685 0.000 -0.000 0.000 3/32670 770.0 2.273 2.273 1.662 0.000 -0.000 0.000 3/32670 780.0 2.243 2.243 1.640 0.000 -0.000 0.000 3/32670 790.0 2.214 2.214 1.619 0.000 -0.000 0.000 3/32670 800.0 2.186 2.186 1.598 0.000 -0.000 0.000 3/32670 810.0 2.158 2.158 1.578 0.000 -0.000 0.000 3/32670 820.0 2.132 2.132 1.558 0.000 -0.000 0.000 3/32670 830.0 2.105 2.105 1.539 0.000 -0.000 0.000 3/32670 840.0 2.080 2.080 1.520 0.000 -0.000 0.000 3/32670 850.0 2.055 2.055 1.502 0.000 -0.000 0.000 3/32670 860.0 2.031 2.031 1.484 0.000 -0.000 0.000 3/32670 870.0 2.007 2.007 1.466 0.000 -0.000 0.000 3/32670 880.0 1.984 1.984 1.449 0.000 -0.000 0.000 3/32670 890.0 1.961 1.961 1.433 0.000 -0.000 0.000 3/32670 900.0 1.939 1.939 1.416 0.000 -0.000 0.000 3/32670 910.0 1.917 1.917 1.401 0.000 -0.000 0.000 3/32670 920.0 1.896 1.896 1.385 0.000 -0.000 0.000 3/32670 930.0 1.875 1.875 1.370 0.000 -0.000 0.000 3/32670 940.0 1.855 1.855 1.355 0.000 -0.000 0.000 3/32670 950.0 1.835 1.835 1.340 0.000 -0.000 0.000 3/32670 960.0 1.816 1.816 1.326 0.000 -0.000 0.000 3/32670 970.0 1.797 1.797 1.312 0.000 -0.000 0.000 3/32670 980.0 1.778 1.778 1.299 0.000 -0.000 0.000 3/32670 990.0 1.760 1.760 1.285 0.000 -0.000 0.000 3/32670 1000.0 1.742 1.742 1.272 0.000 -0.000 0.000 3/32670 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:27:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|