----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:58:03]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.327164475000000 -4.354030534999999 0.000000000000000 b 3.327164475000000 4.354030534999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.893618579999998 Atomic positions (fractional): *1 O 0.56418192364855 0.43581807635145 0.37705283498873 15.999 2 O 0.93581807635145 0.06418192364855 0.87705283498873 15.999 3 O 0.43581807635145 0.56418192364855 0.62294716501127 15.999 4 O 0.06418192364855 0.93581807635145 0.12294716501127 15.999 *5 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 6 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 *7 O 0.86137026025272 0.13862973974728 0.27202203360262 15.999 8 O 0.63862973974728 0.36137026025272 0.77202203360262 15.999 *9 O 0.98522832585734 0.36683261320394 0.08456085065420 15.999 10 O 0.51477167414266 0.13316738679606 0.58456085065420 15.999 11 O 0.36683261320394 0.98522832585734 0.91543914934580 15.999 12 O 0.13316738679606 0.51477167414266 0.41543914934580 15.999 13 O 0.01477167414266 0.63316738679606 0.91543914934580 15.999 14 O 0.48522832585734 0.86683261320394 0.41543914934580 15.999 15 O 0.63316738679606 0.01477167414266 0.08456085065420 15.999 16 O 0.86683261320394 0.48522832585734 0.58456085065420 15.999 17 O 0.36137026025272 0.63862973974728 0.22797796639738 15.999 18 O 0.13862973974728 0.86137026025272 0.72797796639738 15.999 *19 P 0.39355970408907 0.60644029591093 0.35308903923004 30.974 20 P 0.10644029591093 0.89355970408907 0.85308903923004 30.974 21 P 0.60644029591093 0.39355970408907 0.64691096076996 30.974 22 P 0.89355970408907 0.10644029591093 0.14691096076996 30.974 *23 Zr 0.29374685837760 0.70625314162240 0.06186732310512 91.224 24 Zr 0.20625314162240 0.79374685837760 0.56186732310512 91.224 25 Zr 0.70625314162240 0.29374685837760 0.93813267689488 91.224 26 Zr 0.79374685837760 0.20625314162240 0.43813267689488 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.654328949999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.708061069999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.893618579999998 Atomic positions (fractional): *1 O 0.50000000000000 0.93581807635145 0.37705283498873 15.999 > 1 2 O 0.50000000000000 0.56418192364855 0.87705283498873 15.999 > 2 3 O 0.50000000000000 0.06418192364855 0.62294716501127 15.999 > 3 4 O 0.50000000000000 0.43581807635145 0.12294716501127 15.999 > 4 *5 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 5 6 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 6 *7 O 0.50000000000000 0.63862973974728 0.27202203360262 15.999 > 7 8 O 0.50000000000000 0.86137026025272 0.77202203360262 15.999 > 8 *9 O 0.67603046953064 0.69080214367330 0.08456085065420 15.999 > 9 10 O 0.32396953046936 0.80919785632670 0.58456085065420 15.999 > 10 11 O 0.67603046953064 0.30919785632670 0.91543914934580 15.999 > 11 12 O 0.32396953046936 0.19080214367330 0.41543914934580 15.999 > 12 13 O 0.32396953046936 0.30919785632670 0.91543914934580 15.999 > 13 14 O 0.67603046953064 0.19080214367330 0.41543914934580 15.999 > 14 15 O 0.32396953046936 0.69080214367330 0.08456085065420 15.999 > 15 16 O 0.67603046953064 0.80919785632670 0.58456085065420 15.999 > 16 17 O 0.50000000000000 0.13862973974728 0.22797796639738 15.999 > 17 18 O 0.50000000000000 0.36137026025272 0.72797796639738 15.999 > 18 19 O 0.00000000000000 0.43581807635145 0.37705283498873 15.999 > 1 20 O 0.00000000000000 0.06418192364855 0.87705283498873 15.999 > 2 21 O 0.00000000000000 0.56418192364855 0.62294716501127 15.999 > 3 22 O 0.00000000000000 0.93581807635145 0.12294716501127 15.999 > 4 23 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 5 24 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 6 25 O 0.00000000000000 0.13862973974728 0.27202203360262 15.999 > 7 26 O 0.00000000000000 0.36137026025272 0.77202203360262 15.999 > 8 27 O 0.17603046953064 0.19080214367330 0.08456085065420 15.999 > 9 28 O 0.82396953046936 0.30919785632670 0.58456085065420 15.999 > 10 29 O 0.17603046953064 0.80919785632670 0.91543914934580 15.999 > 11 30 O 0.82396953046936 0.69080214367330 0.41543914934580 15.999 > 12 31 O 0.82396953046936 0.80919785632670 0.91543914934580 15.999 > 13 32 O 0.17603046953064 0.69080214367330 0.41543914934580 15.999 > 14 33 O 0.82396953046936 0.19080214367330 0.08456085065420 15.999 > 15 34 O 0.17603046953064 0.30919785632670 0.58456085065420 15.999 > 16 35 O 0.00000000000000 0.63862973974728 0.22797796639738 15.999 > 17 36 O 0.00000000000000 0.86137026025272 0.72797796639738 15.999 > 18 *37 P 0.50000000000000 0.10644029591093 0.35308903923004 30.974 > 19 38 P 0.50000000000000 0.39355970408907 0.85308903923004 30.974 > 20 39 P 0.50000000000000 0.89355970408907 0.64691096076996 30.974 > 21 40 P 0.50000000000000 0.60644029591093 0.14691096076996 30.974 > 22 41 P 0.00000000000000 0.60644029591093 0.35308903923004 30.974 > 19 42 P 0.00000000000000 0.89355970408907 0.85308903923004 30.974 > 20 43 P 0.00000000000000 0.39355970408907 0.64691096076996 30.974 > 21 44 P 0.00000000000000 0.10644029591093 0.14691096076996 30.974 > 22 *45 Zr 0.50000000000000 0.20625314162240 0.06186732310512 91.224 > 23 46 Zr 0.50000000000000 0.29374685837760 0.56186732310512 91.224 > 24 47 Zr 0.50000000000000 0.79374685837760 0.93813267689488 91.224 > 25 48 Zr 0.50000000000000 0.70625314162240 0.43813267689488 91.224 > 26 49 Zr 0.00000000000000 0.70625314162240 0.06186732310512 91.224 > 23 50 Zr 0.00000000000000 0.79374685837760 0.56186732310512 91.224 > 24 51 Zr 0.00000000000000 0.29374685837760 0.93813267689488 91.224 > 25 52 Zr 0.00000000000000 0.20625314162240 0.43813267689488 91.224 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.308657899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.708061069999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.893618579999998 Atomic positions (fractional): *1 O 0.25000000000000 0.93581807635145 0.37705283498873 15.999 > 1 2 O 0.75000000000000 0.93581807635145 0.37705283498873 15.999 > 1 3 O 0.25000000000000 0.56418192364855 0.87705283498873 15.999 > 2 4 O 0.75000000000000 0.56418192364855 0.87705283498873 15.999 > 2 5 O 0.25000000000000 0.06418192364855 0.62294716501127 15.999 > 3 6 O 0.75000000000000 0.06418192364855 0.62294716501127 15.999 > 3 7 O 0.25000000000000 0.43581807635145 0.12294716501127 15.999 > 4 8 O 0.75000000000000 0.43581807635145 0.12294716501127 15.999 > 4 *9 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 5 10 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 5 11 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 6 12 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 6 *13 O 0.25000000000000 0.63862973974728 0.27202203360262 15.999 > 7 14 O 0.75000000000000 0.63862973974728 0.27202203360262 15.999 > 7 15 O 0.25000000000000 0.86137026025272 0.77202203360262 15.999 > 8 16 O 0.75000000000000 0.86137026025272 0.77202203360262 15.999 > 8 *17 O 0.33801523476532 0.69080214367330 0.08456085065420 15.999 > 9 18 O 0.83801523476532 0.69080214367330 0.08456085065420 15.999 > 9 19 O 0.16198476523468 0.80919785632670 0.58456085065420 15.999 > 10 20 O 0.66198476523468 0.80919785632670 0.58456085065420 15.999 > 10 21 O 0.33801523476532 0.30919785632670 0.91543914934580 15.999 > 11 22 O 0.83801523476532 0.30919785632670 0.91543914934580 15.999 > 11 23 O 0.16198476523468 0.19080214367330 0.41543914934580 15.999 > 12 24 O 0.66198476523468 0.19080214367330 0.41543914934580 15.999 > 12 25 O 0.16198476523468 0.30919785632670 0.91543914934580 15.999 > 13 26 O 0.66198476523468 0.30919785632670 0.91543914934580 15.999 > 13 27 O 0.33801523476532 0.19080214367330 0.41543914934580 15.999 > 14 28 O 0.83801523476532 0.19080214367330 0.41543914934580 15.999 > 14 29 O 0.16198476523468 0.69080214367330 0.08456085065420 15.999 > 15 30 O 0.66198476523468 0.69080214367330 0.08456085065420 15.999 > 15 31 O 0.33801523476532 0.80919785632670 0.58456085065420 15.999 > 16 32 O 0.83801523476532 0.80919785632670 0.58456085065420 15.999 > 16 33 O 0.25000000000000 0.13862973974728 0.22797796639738 15.999 > 17 34 O 0.75000000000000 0.13862973974728 0.22797796639738 15.999 > 17 35 O 0.25000000000000 0.36137026025272 0.72797796639738 15.999 > 18 36 O 0.75000000000000 0.36137026025272 0.72797796639738 15.999 > 18 37 O 0.00000000000000 0.43581807635145 0.37705283498873 15.999 > 1 38 O 0.50000000000000 0.43581807635145 0.37705283498873 15.999 > 1 39 O 0.00000000000000 0.06418192364855 0.87705283498873 15.999 > 2 40 O 0.50000000000000 0.06418192364855 0.87705283498873 15.999 > 2 41 O 0.00000000000000 0.56418192364855 0.62294716501127 15.999 > 3 42 O 0.50000000000000 0.56418192364855 0.62294716501127 15.999 > 3 43 O 0.00000000000000 0.93581807635145 0.12294716501127 15.999 > 4 44 O 0.50000000000000 0.93581807635145 0.12294716501127 15.999 > 4 45 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 5 46 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 5 47 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 6 48 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 6 49 O 0.00000000000000 0.13862973974728 0.27202203360262 15.999 > 7 50 O 0.50000000000000 0.13862973974728 0.27202203360262 15.999 > 7 51 O 0.00000000000000 0.36137026025272 0.77202203360262 15.999 > 8 52 O 0.50000000000000 0.36137026025272 0.77202203360262 15.999 > 8 53 O 0.08801523476532 0.19080214367330 0.08456085065420 15.999 > 9 54 O 0.58801523476532 0.19080214367330 0.08456085065420 15.999 > 9 55 O 0.41198476523468 0.30919785632670 0.58456085065420 15.999 > 10 56 O 0.91198476523468 0.30919785632670 0.58456085065420 15.999 > 10 57 O 0.08801523476532 0.80919785632670 0.91543914934580 15.999 > 11 58 O 0.58801523476532 0.80919785632670 0.91543914934580 15.999 > 11 59 O 0.41198476523468 0.69080214367330 0.41543914934580 15.999 > 12 60 O 0.91198476523468 0.69080214367330 0.41543914934580 15.999 > 12 61 O 0.41198476523468 0.80919785632670 0.91543914934580 15.999 > 13 62 O 0.91198476523468 0.80919785632670 0.91543914934580 15.999 > 13 63 O 0.08801523476532 0.69080214367330 0.41543914934580 15.999 > 14 64 O 0.58801523476532 0.69080214367330 0.41543914934580 15.999 > 14 65 O 0.41198476523468 0.19080214367330 0.08456085065420 15.999 > 15 66 O 0.91198476523468 0.19080214367330 0.08456085065420 15.999 > 15 67 O 0.08801523476532 0.30919785632670 0.58456085065420 15.999 > 16 68 O 0.58801523476532 0.30919785632670 0.58456085065420 15.999 > 16 69 O 0.00000000000000 0.63862973974728 0.22797796639738 15.999 > 17 70 O 0.50000000000000 0.63862973974728 0.22797796639738 15.999 > 17 71 O 0.00000000000000 0.86137026025272 0.72797796639738 15.999 > 18 72 O 0.50000000000000 0.86137026025272 0.72797796639738 15.999 > 18 *73 P 0.25000000000000 0.10644029591093 0.35308903923004 30.974 > 19 74 P 0.75000000000000 0.10644029591093 0.35308903923004 30.974 > 19 75 P 0.25000000000000 0.39355970408907 0.85308903923004 30.974 > 20 76 P 0.75000000000000 0.39355970408907 0.85308903923004 30.974 > 20 77 P 0.25000000000000 0.89355970408907 0.64691096076996 30.974 > 21 78 P 0.75000000000000 0.89355970408907 0.64691096076996 30.974 > 21 79 P 0.25000000000000 0.60644029591093 0.14691096076996 30.974 > 22 80 P 0.75000000000000 0.60644029591093 0.14691096076996 30.974 > 22 81 P 0.00000000000000 0.60644029591093 0.35308903923004 30.974 > 19 82 P 0.50000000000000 0.60644029591093 0.35308903923004 30.974 > 19 83 P 0.00000000000000 0.89355970408907 0.85308903923004 30.974 > 20 84 P 0.50000000000000 0.89355970408907 0.85308903923004 30.974 > 20 85 P 0.00000000000000 0.39355970408907 0.64691096076996 30.974 > 21 86 P 0.50000000000000 0.39355970408907 0.64691096076996 30.974 > 21 87 P 0.00000000000000 0.10644029591093 0.14691096076996 30.974 > 22 88 P 0.50000000000000 0.10644029591093 0.14691096076996 30.974 > 22 *89 Zr 0.25000000000000 0.20625314162240 0.06186732310512 91.224 > 23 90 Zr 0.75000000000000 0.20625314162240 0.06186732310512 91.224 > 23 91 Zr 0.25000000000000 0.29374685837760 0.56186732310512 91.224 > 24 92 Zr 0.75000000000000 0.29374685837760 0.56186732310512 91.224 > 24 93 Zr 0.25000000000000 0.79374685837760 0.93813267689488 91.224 > 25 94 Zr 0.75000000000000 0.79374685837760 0.93813267689488 91.224 > 25 95 Zr 0.25000000000000 0.70625314162240 0.43813267689488 91.224 > 26 96 Zr 0.75000000000000 0.70625314162240 0.43813267689488 91.224 > 26 97 Zr 0.00000000000000 0.70625314162240 0.06186732310512 91.224 > 23 98 Zr 0.50000000000000 0.70625314162240 0.06186732310512 91.224 > 23 99 Zr 0.00000000000000 0.79374685837760 0.56186732310512 91.224 > 24 100 Zr 0.50000000000000 0.79374685837760 0.56186732310512 91.224 > 24 101 Zr 0.00000000000000 0.29374685837760 0.93813267689488 91.224 > 25 102 Zr 0.50000000000000 0.29374685837760 0.93813267689488 91.224 > 25 103 Zr 0.00000000000000 0.20625314162240 0.43813267689488 91.224 > 26 104 Zr 0.50000000000000 0.20625314162240 0.43813267689488 91.224 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2087154 0.0000000 0.0000000 0.0000000 3.8646706 0.0000000 0.0000000 0.0000000 3.5978695 -------------------------- Born effective charges -------------------------- 1 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 0.7864436 0.0000000 0.7448097 -1.4610746 2 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 -0.7864436 0.0000000 -0.7448097 -1.4610746 3 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 0.7864436 0.0000000 0.7448097 -1.4610746 4 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 -0.7864436 0.0000000 -0.7448097 -1.4610746 5 O -1.1078810 0.0000000 0.0000000 0.0000000 -5.3197787 1.7290792 0.0000000 1.8088936 -1.6490092 6 O -1.1078810 0.0000000 0.0000000 0.0000000 -5.3197787 -1.7290792 0.0000000 -1.8088936 -1.6490092 7 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 -0.6550821 0.0000000 -0.7642755 -4.3247359 8 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 0.6550821 0.0000000 0.7642755 -4.3247359 9 O -2.9162837 -0.3952421 0.3602098 -0.2098808 -1.5500677 0.6234018 0.2075935 0.5119017 -1.8391641 10 O -2.9162837 -0.3952421 -0.3602098 -0.2098808 -1.5500677 -0.6234018 -0.2075935 -0.5119017 -1.8391641 11 O -2.9162837 0.3952421 -0.3602098 0.2098808 -1.5500677 0.6234018 -0.2075935 0.5119017 -1.8391641 12 O -2.9162837 0.3952421 0.3602098 0.2098808 -1.5500677 -0.6234018 0.2075935 -0.5119017 -1.8391641 13 O -2.9162837 -0.3952421 0.3602098 -0.2098808 -1.5500677 0.6234018 0.2075935 0.5119017 -1.8391641 14 O -2.9162837 -0.3952421 -0.3602098 -0.2098808 -1.5500677 -0.6234018 -0.2075935 -0.5119017 -1.8391641 15 O -2.9162837 0.3952421 -0.3602098 0.2098808 -1.5500677 0.6234018 -0.2075935 0.5119017 -1.8391641 16 O -2.9162837 0.3952421 0.3602098 0.2098808 -1.5500677 -0.6234018 0.2075935 -0.5119017 -1.8391641 17 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 0.6550821 0.0000000 0.7642755 -4.3247359 18 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 -0.6550821 0.0000000 -0.7642755 -4.3247359 19 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 -0.0246783 0.0000000 -0.0987096 4.9494005 20 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 0.0246783 0.0000000 0.0987096 4.9494005 21 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 -0.0246783 0.0000000 -0.0987096 4.9494005 22 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 0.0246783 0.0000000 0.0987096 4.9494005 23 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 0.3106774 0.0000000 0.3619335 5.3392429 24 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 -0.3106774 0.0000000 -0.3619335 5.3392429 25 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 0.3106774 0.0000000 0.3619335 5.3392429 26 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 -0.3106774 0.0000000 -0.3619335 5.3392429 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 15450/15450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1684 Number of blocks in projector: 1684 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (1684, 1650), data: False |-- (250, 244), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (256, 254), data: True |-- (256, 254), data: True |-- (422, 410), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 2.386 Solver_block: 200 / 400 - Time: 2.415 Solver_block: 300 / 400 - Time: 3.050 Solver_block: 400 / 400 - Time: 2.318 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.389 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 15450/15450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1684 Number of blocks in projector: 1684 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 422 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (1684, 1650), data: False |-- (250, 244), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (256, 254), data: True |-- (256, 254), data: True |-- (422, 410), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:58:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:58:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.327164475000000 -4.354030534999999 0.000000000000000 b 3.327164475000000 4.354030534999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.893618579999998 Atomic positions (fractional): 1 O 0.56418192364855 0.43581807635145 0.37705283498873 15.999 2 O 0.93581807635145 0.06418192364855 0.87705283498873 15.999 3 O 0.43581807635145 0.56418192364855 0.62294716501127 15.999 4 O 0.06418192364855 0.93581807635145 0.12294716501127 15.999 5 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 6 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 7 O 0.86137026025272 0.13862973974728 0.27202203360262 15.999 8 O 0.63862973974728 0.36137026025272 0.77202203360262 15.999 9 O 0.98522832585734 0.36683261320394 0.08456085065420 15.999 10 O 0.51477167414266 0.13316738679606 0.58456085065420 15.999 11 O 0.36683261320394 0.98522832585734 0.91543914934580 15.999 12 O 0.13316738679606 0.51477167414266 0.41543914934580 15.999 13 O 0.01477167414266 0.63316738679606 0.91543914934580 15.999 14 O 0.48522832585734 0.86683261320394 0.41543914934580 15.999 15 O 0.63316738679606 0.01477167414266 0.08456085065420 15.999 16 O 0.86683261320394 0.48522832585734 0.58456085065420 15.999 17 O 0.36137026025272 0.63862973974728 0.22797796639738 15.999 18 O 0.13862973974728 0.86137026025272 0.72797796639738 15.999 19 P 0.39355970408907 0.60644029591093 0.35308903923004 30.974 20 P 0.10644029591093 0.89355970408907 0.85308903923004 30.974 21 P 0.60644029591093 0.39355970408907 0.64691096076996 30.974 22 P 0.89355970408907 0.10644029591093 0.14691096076996 30.974 23 Zr 0.29374685837760 0.70625314162240 0.06186732310512 91.224 24 Zr 0.20625314162240 0.79374685837760 0.56186732310512 91.224 25 Zr 0.70625314162240 0.29374685837760 0.93813267689488 91.224 26 Zr 0.79374685837760 0.20625314162240 0.43813267689488 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.308657899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.708061069999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.893618579999998 Atomic positions (fractional): 1 O 0.25000000000000 0.93581807635145 0.37705283498873 15.999 > 1 2 O 0.75000000000000 0.93581807635145 0.37705283498873 15.999 > 1 3 O 0.25000000000000 0.56418192364855 0.87705283498873 15.999 > 3 4 O 0.75000000000000 0.56418192364855 0.87705283498873 15.999 > 3 5 O 0.25000000000000 0.06418192364855 0.62294716501127 15.999 > 5 6 O 0.75000000000000 0.06418192364855 0.62294716501127 15.999 > 5 7 O 0.25000000000000 0.43581807635145 0.12294716501127 15.999 > 7 8 O 0.75000000000000 0.43581807635145 0.12294716501127 15.999 > 7 9 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 9 11 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 11 12 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 11 13 O 0.25000000000000 0.63862973974728 0.27202203360262 15.999 > 13 14 O 0.75000000000000 0.63862973974728 0.27202203360262 15.999 > 13 15 O 0.25000000000000 0.86137026025272 0.77202203360262 15.999 > 15 16 O 0.75000000000000 0.86137026025272 0.77202203360262 15.999 > 15 17 O 0.33801523476532 0.69080214367330 0.08456085065420 15.999 > 17 18 O 0.83801523476532 0.69080214367330 0.08456085065420 15.999 > 17 19 O 0.16198476523468 0.80919785632670 0.58456085065420 15.999 > 19 20 O 0.66198476523468 0.80919785632670 0.58456085065420 15.999 > 19 21 O 0.33801523476532 0.30919785632670 0.91543914934580 15.999 > 21 22 O 0.83801523476532 0.30919785632670 0.91543914934580 15.999 > 21 23 O 0.16198476523468 0.19080214367330 0.41543914934580 15.999 > 23 24 O 0.66198476523468 0.19080214367330 0.41543914934580 15.999 > 23 25 O 0.16198476523468 0.30919785632670 0.91543914934580 15.999 > 25 26 O 0.66198476523468 0.30919785632670 0.91543914934580 15.999 > 25 27 O 0.33801523476532 0.19080214367330 0.41543914934580 15.999 > 27 28 O 0.83801523476532 0.19080214367330 0.41543914934580 15.999 > 27 29 O 0.16198476523468 0.69080214367330 0.08456085065420 15.999 > 29 30 O 0.66198476523468 0.69080214367330 0.08456085065420 15.999 > 29 31 O 0.33801523476532 0.80919785632670 0.58456085065420 15.999 > 31 32 O 0.83801523476532 0.80919785632670 0.58456085065420 15.999 > 31 33 O 0.25000000000000 0.13862973974728 0.22797796639738 15.999 > 33 34 O 0.75000000000000 0.13862973974728 0.22797796639738 15.999 > 33 35 O 0.25000000000000 0.36137026025272 0.72797796639738 15.999 > 35 36 O 0.75000000000000 0.36137026025272 0.72797796639738 15.999 > 35 37 O 0.00000000000000 0.43581807635145 0.37705283498873 15.999 > 1 38 O 0.50000000000000 0.43581807635145 0.37705283498873 15.999 > 1 39 O 0.00000000000000 0.06418192364855 0.87705283498873 15.999 > 3 40 O 0.50000000000000 0.06418192364855 0.87705283498873 15.999 > 3 41 O 0.00000000000000 0.56418192364855 0.62294716501127 15.999 > 5 42 O 0.50000000000000 0.56418192364855 0.62294716501127 15.999 > 5 43 O 0.00000000000000 0.93581807635145 0.12294716501127 15.999 > 7 44 O 0.50000000000000 0.93581807635145 0.12294716501127 15.999 > 7 45 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 9 46 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 9 47 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 11 48 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 11 49 O 0.00000000000000 0.13862973974728 0.27202203360262 15.999 > 13 50 O 0.50000000000000 0.13862973974728 0.27202203360262 15.999 > 13 51 O 0.00000000000000 0.36137026025272 0.77202203360262 15.999 > 15 52 O 0.50000000000000 0.36137026025272 0.77202203360262 15.999 > 15 53 O 0.08801523476532 0.19080214367330 0.08456085065420 15.999 > 17 54 O 0.58801523476532 0.19080214367330 0.08456085065420 15.999 > 17 55 O 0.41198476523468 0.30919785632670 0.58456085065420 15.999 > 19 56 O 0.91198476523468 0.30919785632670 0.58456085065420 15.999 > 19 57 O 0.08801523476532 0.80919785632670 0.91543914934580 15.999 > 21 58 O 0.58801523476532 0.80919785632670 0.91543914934580 15.999 > 21 59 O 0.41198476523468 0.69080214367330 0.41543914934580 15.999 > 23 60 O 0.91198476523468 0.69080214367330 0.41543914934580 15.999 > 23 61 O 0.41198476523468 0.80919785632670 0.91543914934580 15.999 > 25 62 O 0.91198476523468 0.80919785632670 0.91543914934580 15.999 > 25 63 O 0.08801523476532 0.69080214367330 0.41543914934580 15.999 > 27 64 O 0.58801523476532 0.69080214367330 0.41543914934580 15.999 > 27 65 O 0.41198476523468 0.19080214367330 0.08456085065420 15.999 > 29 66 O 0.91198476523468 0.19080214367330 0.08456085065420 15.999 > 29 67 O 0.08801523476532 0.30919785632670 0.58456085065420 15.999 > 31 68 O 0.58801523476532 0.30919785632670 0.58456085065420 15.999 > 31 69 O 0.00000000000000 0.63862973974728 0.22797796639738 15.999 > 33 70 O 0.50000000000000 0.63862973974728 0.22797796639738 15.999 > 33 71 O 0.00000000000000 0.86137026025272 0.72797796639738 15.999 > 35 72 O 0.50000000000000 0.86137026025272 0.72797796639738 15.999 > 35 73 P 0.25000000000000 0.10644029591093 0.35308903923004 30.974 > 73 74 P 0.75000000000000 0.10644029591093 0.35308903923004 30.974 > 73 75 P 0.25000000000000 0.39355970408907 0.85308903923004 30.974 > 75 76 P 0.75000000000000 0.39355970408907 0.85308903923004 30.974 > 75 77 P 0.25000000000000 0.89355970408907 0.64691096076996 30.974 > 77 78 P 0.75000000000000 0.89355970408907 0.64691096076996 30.974 > 77 79 P 0.25000000000000 0.60644029591093 0.14691096076996 30.974 > 79 80 P 0.75000000000000 0.60644029591093 0.14691096076996 30.974 > 79 81 P 0.00000000000000 0.60644029591093 0.35308903923004 30.974 > 73 82 P 0.50000000000000 0.60644029591093 0.35308903923004 30.974 > 73 83 P 0.00000000000000 0.89355970408907 0.85308903923004 30.974 > 75 84 P 0.50000000000000 0.89355970408907 0.85308903923004 30.974 > 75 85 P 0.00000000000000 0.39355970408907 0.64691096076996 30.974 > 77 86 P 0.50000000000000 0.39355970408907 0.64691096076996 30.974 > 77 87 P 0.00000000000000 0.10644029591093 0.14691096076996 30.974 > 79 88 P 0.50000000000000 0.10644029591093 0.14691096076996 30.974 > 79 89 Zr 0.25000000000000 0.20625314162240 0.06186732310512 91.224 > 89 90 Zr 0.75000000000000 0.20625314162240 0.06186732310512 91.224 > 89 91 Zr 0.25000000000000 0.29374685837760 0.56186732310512 91.224 > 91 92 Zr 0.75000000000000 0.29374685837760 0.56186732310512 91.224 > 91 93 Zr 0.25000000000000 0.79374685837760 0.93813267689488 91.224 > 93 94 Zr 0.75000000000000 0.79374685837760 0.93813267689488 91.224 > 93 95 Zr 0.25000000000000 0.70625314162240 0.43813267689488 91.224 > 95 96 Zr 0.75000000000000 0.70625314162240 0.43813267689488 91.224 > 95 97 Zr 0.00000000000000 0.70625314162240 0.06186732310512 91.224 > 89 98 Zr 0.50000000000000 0.70625314162240 0.06186732310512 91.224 > 89 99 Zr 0.00000000000000 0.79374685837760 0.56186732310512 91.224 > 91 100 Zr 0.50000000000000 0.79374685837760 0.56186732310512 91.224 > 91 101 Zr 0.00000000000000 0.29374685837760 0.93813267689488 91.224 > 93 102 Zr 0.50000000000000 0.29374685837760 0.93813267689488 91.224 > 93 103 Zr 0.00000000000000 0.20625314162240 0.43813267689488 91.224 > 95 104 Zr 0.50000000000000 0.20625314162240 0.43813267689488 91.224 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2087154 0.0000000 0.0000000 0.0000000 3.8646706 0.0000000 0.0000000 0.0000000 3.5978695 -------------------------- Born effective charges -------------------------- 1 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 0.7864436 0.0000000 0.7448097 -1.4610746 2 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 -0.7864436 0.0000000 -0.7448097 -1.4610746 3 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 0.7864436 0.0000000 0.7448097 -1.4610746 4 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 -0.7864436 0.0000000 -0.7448097 -1.4610746 5 O -1.1078810 0.0000000 0.0000000 0.0000000 -5.3197787 1.7290792 0.0000000 1.8088936 -1.6490092 6 O -1.1078810 0.0000000 0.0000000 0.0000000 -5.3197787 -1.7290792 0.0000000 -1.8088936 -1.6490092 7 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 -0.6550821 0.0000000 -0.7642755 -4.3247359 8 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 0.6550821 0.0000000 0.7642755 -4.3247359 9 O -2.9162837 -0.3952421 0.3602098 -0.2098808 -1.5500677 0.6234018 0.2075935 0.5119017 -1.8391641 10 O -2.9162837 -0.3952421 -0.3602098 -0.2098808 -1.5500677 -0.6234018 -0.2075935 -0.5119017 -1.8391641 11 O -2.9162837 0.3952421 -0.3602098 0.2098808 -1.5500677 0.6234018 -0.2075935 0.5119017 -1.8391641 12 O -2.9162837 0.3952421 0.3602098 0.2098808 -1.5500677 -0.6234018 0.2075935 -0.5119017 -1.8391641 13 O -2.9162837 -0.3952421 0.3602098 -0.2098808 -1.5500677 0.6234018 0.2075935 0.5119017 -1.8391641 14 O -2.9162837 -0.3952421 -0.3602098 -0.2098808 -1.5500677 -0.6234018 -0.2075935 -0.5119017 -1.8391641 15 O -2.9162837 0.3952421 -0.3602098 0.2098808 -1.5500677 0.6234018 -0.2075935 0.5119017 -1.8391641 16 O -2.9162837 0.3952421 0.3602098 0.2098808 -1.5500677 -0.6234018 0.2075935 -0.5119017 -1.8391641 17 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 0.6550821 0.0000000 0.7642755 -4.3247359 18 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 -0.6550821 0.0000000 -0.7642755 -4.3247359 19 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 -0.0246783 0.0000000 -0.0987096 4.9494005 20 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 0.0246783 0.0000000 0.0987096 4.9494005 21 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 -0.0246783 0.0000000 -0.0987096 4.9494005 22 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 0.0246783 0.0000000 0.0987096 4.9494005 23 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 0.3106774 0.0000000 0.3619335 5.3392429 24 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 -0.3106774 0.0000000 -0.3619335 5.3392429 25 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 0.3106774 0.0000000 0.3619335 5.3392429 26 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 -0.3106774 0.0000000 -0.3619335 5.3392429 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (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 2026-01-08 05:59:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:59:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.327164475000000 -4.354030534999999 0.000000000000000 b 3.327164475000000 4.354030534999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.893618579999998 Atomic positions (fractional): 1 O 0.56418192364855 0.43581807635145 0.37705283498873 15.999 2 O 0.93581807635145 0.06418192364855 0.87705283498873 15.999 3 O 0.43581807635145 0.56418192364855 0.62294716501127 15.999 4 O 0.06418192364855 0.93581807635145 0.12294716501127 15.999 5 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 6 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 7 O 0.86137026025272 0.13862973974728 0.27202203360262 15.999 8 O 0.63862973974728 0.36137026025272 0.77202203360262 15.999 9 O 0.98522832585734 0.36683261320394 0.08456085065420 15.999 10 O 0.51477167414266 0.13316738679606 0.58456085065420 15.999 11 O 0.36683261320394 0.98522832585734 0.91543914934580 15.999 12 O 0.13316738679606 0.51477167414266 0.41543914934580 15.999 13 O 0.01477167414266 0.63316738679606 0.91543914934580 15.999 14 O 0.48522832585734 0.86683261320394 0.41543914934580 15.999 15 O 0.63316738679606 0.01477167414266 0.08456085065420 15.999 16 O 0.86683261320394 0.48522832585734 0.58456085065420 15.999 17 O 0.36137026025272 0.63862973974728 0.22797796639738 15.999 18 O 0.13862973974728 0.86137026025272 0.72797796639738 15.999 19 P 0.39355970408907 0.60644029591093 0.35308903923004 30.974 20 P 0.10644029591093 0.89355970408907 0.85308903923004 30.974 21 P 0.60644029591093 0.39355970408907 0.64691096076996 30.974 22 P 0.89355970408907 0.10644029591093 0.14691096076996 30.974 23 Zr 0.29374685837760 0.70625314162240 0.06186732310512 91.224 24 Zr 0.20625314162240 0.79374685837760 0.56186732310512 91.224 25 Zr 0.70625314162240 0.29374685837760 0.93813267689488 91.224 26 Zr 0.79374685837760 0.20625314162240 0.43813267689488 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.308657899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.708061069999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.893618579999998 Atomic positions (fractional): 1 O 0.25000000000000 0.93581807635145 0.37705283498873 15.999 > 1 2 O 0.75000000000000 0.93581807635145 0.37705283498873 15.999 > 1 3 O 0.25000000000000 0.56418192364855 0.87705283498873 15.999 > 3 4 O 0.75000000000000 0.56418192364855 0.87705283498873 15.999 > 3 5 O 0.25000000000000 0.06418192364855 0.62294716501127 15.999 > 5 6 O 0.75000000000000 0.06418192364855 0.62294716501127 15.999 > 5 7 O 0.25000000000000 0.43581807635145 0.12294716501127 15.999 > 7 8 O 0.75000000000000 0.43581807635145 0.12294716501127 15.999 > 7 9 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 9 11 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 11 12 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 11 13 O 0.25000000000000 0.63862973974728 0.27202203360262 15.999 > 13 14 O 0.75000000000000 0.63862973974728 0.27202203360262 15.999 > 13 15 O 0.25000000000000 0.86137026025272 0.77202203360262 15.999 > 15 16 O 0.75000000000000 0.86137026025272 0.77202203360262 15.999 > 15 17 O 0.33801523476532 0.69080214367330 0.08456085065420 15.999 > 17 18 O 0.83801523476532 0.69080214367330 0.08456085065420 15.999 > 17 19 O 0.16198476523468 0.80919785632670 0.58456085065420 15.999 > 19 20 O 0.66198476523468 0.80919785632670 0.58456085065420 15.999 > 19 21 O 0.33801523476532 0.30919785632670 0.91543914934580 15.999 > 21 22 O 0.83801523476532 0.30919785632670 0.91543914934580 15.999 > 21 23 O 0.16198476523468 0.19080214367330 0.41543914934580 15.999 > 23 24 O 0.66198476523468 0.19080214367330 0.41543914934580 15.999 > 23 25 O 0.16198476523468 0.30919785632670 0.91543914934580 15.999 > 25 26 O 0.66198476523468 0.30919785632670 0.91543914934580 15.999 > 25 27 O 0.33801523476532 0.19080214367330 0.41543914934580 15.999 > 27 28 O 0.83801523476532 0.19080214367330 0.41543914934580 15.999 > 27 29 O 0.16198476523468 0.69080214367330 0.08456085065420 15.999 > 29 30 O 0.66198476523468 0.69080214367330 0.08456085065420 15.999 > 29 31 O 0.33801523476532 0.80919785632670 0.58456085065420 15.999 > 31 32 O 0.83801523476532 0.80919785632670 0.58456085065420 15.999 > 31 33 O 0.25000000000000 0.13862973974728 0.22797796639738 15.999 > 33 34 O 0.75000000000000 0.13862973974728 0.22797796639738 15.999 > 33 35 O 0.25000000000000 0.36137026025272 0.72797796639738 15.999 > 35 36 O 0.75000000000000 0.36137026025272 0.72797796639738 15.999 > 35 37 O 0.00000000000000 0.43581807635145 0.37705283498873 15.999 > 1 38 O 0.50000000000000 0.43581807635145 0.37705283498873 15.999 > 1 39 O 0.00000000000000 0.06418192364855 0.87705283498873 15.999 > 3 40 O 0.50000000000000 0.06418192364855 0.87705283498873 15.999 > 3 41 O 0.00000000000000 0.56418192364855 0.62294716501127 15.999 > 5 42 O 0.50000000000000 0.56418192364855 0.62294716501127 15.999 > 5 43 O 0.00000000000000 0.93581807635145 0.12294716501127 15.999 > 7 44 O 0.50000000000000 0.93581807635145 0.12294716501127 15.999 > 7 45 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 9 46 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 9 47 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 11 48 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 11 49 O 0.00000000000000 0.13862973974728 0.27202203360262 15.999 > 13 50 O 0.50000000000000 0.13862973974728 0.27202203360262 15.999 > 13 51 O 0.00000000000000 0.36137026025272 0.77202203360262 15.999 > 15 52 O 0.50000000000000 0.36137026025272 0.77202203360262 15.999 > 15 53 O 0.08801523476532 0.19080214367330 0.08456085065420 15.999 > 17 54 O 0.58801523476532 0.19080214367330 0.08456085065420 15.999 > 17 55 O 0.41198476523468 0.30919785632670 0.58456085065420 15.999 > 19 56 O 0.91198476523468 0.30919785632670 0.58456085065420 15.999 > 19 57 O 0.08801523476532 0.80919785632670 0.91543914934580 15.999 > 21 58 O 0.58801523476532 0.80919785632670 0.91543914934580 15.999 > 21 59 O 0.41198476523468 0.69080214367330 0.41543914934580 15.999 > 23 60 O 0.91198476523468 0.69080214367330 0.41543914934580 15.999 > 23 61 O 0.41198476523468 0.80919785632670 0.91543914934580 15.999 > 25 62 O 0.91198476523468 0.80919785632670 0.91543914934580 15.999 > 25 63 O 0.08801523476532 0.69080214367330 0.41543914934580 15.999 > 27 64 O 0.58801523476532 0.69080214367330 0.41543914934580 15.999 > 27 65 O 0.41198476523468 0.19080214367330 0.08456085065420 15.999 > 29 66 O 0.91198476523468 0.19080214367330 0.08456085065420 15.999 > 29 67 O 0.08801523476532 0.30919785632670 0.58456085065420 15.999 > 31 68 O 0.58801523476532 0.30919785632670 0.58456085065420 15.999 > 31 69 O 0.00000000000000 0.63862973974728 0.22797796639738 15.999 > 33 70 O 0.50000000000000 0.63862973974728 0.22797796639738 15.999 > 33 71 O 0.00000000000000 0.86137026025272 0.72797796639738 15.999 > 35 72 O 0.50000000000000 0.86137026025272 0.72797796639738 15.999 > 35 73 P 0.25000000000000 0.10644029591093 0.35308903923004 30.974 > 73 74 P 0.75000000000000 0.10644029591093 0.35308903923004 30.974 > 73 75 P 0.25000000000000 0.39355970408907 0.85308903923004 30.974 > 75 76 P 0.75000000000000 0.39355970408907 0.85308903923004 30.974 > 75 77 P 0.25000000000000 0.89355970408907 0.64691096076996 30.974 > 77 78 P 0.75000000000000 0.89355970408907 0.64691096076996 30.974 > 77 79 P 0.25000000000000 0.60644029591093 0.14691096076996 30.974 > 79 80 P 0.75000000000000 0.60644029591093 0.14691096076996 30.974 > 79 81 P 0.00000000000000 0.60644029591093 0.35308903923004 30.974 > 73 82 P 0.50000000000000 0.60644029591093 0.35308903923004 30.974 > 73 83 P 0.00000000000000 0.89355970408907 0.85308903923004 30.974 > 75 84 P 0.50000000000000 0.89355970408907 0.85308903923004 30.974 > 75 85 P 0.00000000000000 0.39355970408907 0.64691096076996 30.974 > 77 86 P 0.50000000000000 0.39355970408907 0.64691096076996 30.974 > 77 87 P 0.00000000000000 0.10644029591093 0.14691096076996 30.974 > 79 88 P 0.50000000000000 0.10644029591093 0.14691096076996 30.974 > 79 89 Zr 0.25000000000000 0.20625314162240 0.06186732310512 91.224 > 89 90 Zr 0.75000000000000 0.20625314162240 0.06186732310512 91.224 > 89 91 Zr 0.25000000000000 0.29374685837760 0.56186732310512 91.224 > 91 92 Zr 0.75000000000000 0.29374685837760 0.56186732310512 91.224 > 91 93 Zr 0.25000000000000 0.79374685837760 0.93813267689488 91.224 > 93 94 Zr 0.75000000000000 0.79374685837760 0.93813267689488 91.224 > 93 95 Zr 0.25000000000000 0.70625314162240 0.43813267689488 91.224 > 95 96 Zr 0.75000000000000 0.70625314162240 0.43813267689488 91.224 > 95 97 Zr 0.00000000000000 0.70625314162240 0.06186732310512 91.224 > 89 98 Zr 0.50000000000000 0.70625314162240 0.06186732310512 91.224 > 89 99 Zr 0.00000000000000 0.79374685837760 0.56186732310512 91.224 > 91 100 Zr 0.50000000000000 0.79374685837760 0.56186732310512 91.224 > 91 101 Zr 0.00000000000000 0.29374685837760 0.93813267689488 91.224 > 93 102 Zr 0.50000000000000 0.29374685837760 0.93813267689488 91.224 > 93 103 Zr 0.00000000000000 0.20625314162240 0.43813267689488 91.224 > 95 104 Zr 0.50000000000000 0.20625314162240 0.43813267689488 91.224 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2087154 0.0000000 0.0000000 0.0000000 3.8646706 0.0000000 0.0000000 0.0000000 3.5978695 -------------------------- Born effective charges -------------------------- 1 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 0.7864436 0.0000000 0.7448097 -1.4610746 2 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 -0.7864436 0.0000000 -0.7448097 -1.4610746 3 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 0.7864436 0.0000000 0.7448097 -1.4610746 4 O -0.9964385 0.0000000 0.0000000 0.0000000 -3.9148980 -0.7864436 0.0000000 -0.7448097 -1.4610746 5 O -1.1078810 0.0000000 0.0000000 0.0000000 -5.3197787 1.7290792 0.0000000 1.8088936 -1.6490092 6 O -1.1078810 0.0000000 0.0000000 0.0000000 -5.3197787 -1.7290792 0.0000000 -1.8088936 -1.6490092 7 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 -0.6550821 0.0000000 -0.7642755 -4.3247359 8 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 0.6550821 0.0000000 0.7642755 -4.3247359 9 O -2.9162837 -0.3952421 0.3602098 -0.2098808 -1.5500677 0.6234018 0.2075935 0.5119017 -1.8391641 10 O -2.9162837 -0.3952421 -0.3602098 -0.2098808 -1.5500677 -0.6234018 -0.2075935 -0.5119017 -1.8391641 11 O -2.9162837 0.3952421 -0.3602098 0.2098808 -1.5500677 0.6234018 -0.2075935 0.5119017 -1.8391641 12 O -2.9162837 0.3952421 0.3602098 0.2098808 -1.5500677 -0.6234018 0.2075935 -0.5119017 -1.8391641 13 O -2.9162837 -0.3952421 0.3602098 -0.2098808 -1.5500677 0.6234018 0.2075935 0.5119017 -1.8391641 14 O -2.9162837 -0.3952421 -0.3602098 -0.2098808 -1.5500677 -0.6234018 -0.2075935 -0.5119017 -1.8391641 15 O -2.9162837 0.3952421 -0.3602098 0.2098808 -1.5500677 0.6234018 -0.2075935 0.5119017 -1.8391641 16 O -2.9162837 0.3952421 0.3602098 0.2098808 -1.5500677 -0.6234018 0.2075935 -0.5119017 -1.8391641 17 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 0.6550821 0.0000000 0.7642755 -4.3247359 18 O -1.0092141 0.0000000 0.0000000 0.0000000 -1.2319809 -0.6550821 0.0000000 -0.7642755 -4.3247359 19 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 -0.0246783 0.0000000 -0.0987096 4.9494005 20 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 0.0246783 0.0000000 0.0987096 4.9494005 21 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 -0.0246783 0.0000000 -0.0987096 4.9494005 22 P 3.4058158 0.0000000 0.0000000 0.0000000 4.3492942 0.0246783 0.0000000 0.0987096 4.9494005 23 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 0.3106774 0.0000000 0.3619335 5.3392429 24 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 -0.3106774 0.0000000 -0.3619335 5.3392429 25 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 0.3106774 0.0000000 0.3619335 5.3392429 26 Zr 4.9863447 0.0000000 0.0000000 0.0000000 6.5576095 -0.3106774 0.0000000 -0.3619335 5.3392429 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 301, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.874 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.217 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.087 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 13.150 ( 0.000 0.000 0.000) 0.000 13.191 ( 0.000 0.000 0.000) 0.000 13.201 ( 0.000 0.000 0.000) 0.000 13.349 ( 0.000 0.000 0.000) 0.000 15.151 ( 0.000 0.000 0.000) 0.000 15.882 ( 0.000 0.000 0.000) 0.000 15.960 ( 0.000 0.000 0.000) 0.000 15.966 ( 0.000 0.000 0.000) 0.000 16.345 ( 0.000 0.000 0.000) 0.000 16.524 ( 0.000 0.000 0.000) 0.000 16.528 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 18.605 ( 0.000 0.000 0.000) 0.000 18.617 ( 0.000 0.000 0.000) 0.000 18.671 ( 0.000 0.000 0.000) 0.000 19.123 ( 0.000 0.000 0.000) 0.000 22.228 ( 0.000 0.000 0.000) 0.000 23.694 ( 0.000 0.000 0.000) 0.000 26.439 ( 0.000 0.000 0.000) 0.000 26.513 ( 0.000 0.000 0.000) 0.000 28.077 ( 0.000 0.000 0.000) 0.000 28.161 ( 0.000 0.000 0.000) 0.000 29.076 ( 0.000 0.000 0.000) 0.000 29.423 ( 0.000 0.000 0.000) 0.000 30.058 ( 0.000 0.000 0.000) 0.000 30.300 ( 0.000 0.000 0.000) 0.000 31.920 ( 0.000 0.000 0.000) 0.000 31.949 ( 0.000 0.000 0.000) 0.000 32.016 ( 0.000 0.000 0.000) 0.000 32.162 ( 0.000 0.000 0.000) 0.000 32.435 ( 0.000 0.000 0.000) 0.000 32.620 ( 0.000 0.000 0.000) 0.000 33.961 ( 0.000 0.000 0.000) 0.000 37.534 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 34.707 -10.287 0.000) 36.200 1.061 ( 18.377 -57.099 0.000) 59.983 1.469 ( 74.017 -15.020 0.000) 75.526 1.953 ( 21.239 -9.831 0.000) 23.404 2.298 ( 16.637 -8.676 0.000) 18.763 2.379 ( 6.564 -4.444 0.000) 7.927 3.060 ( 18.301 -3.514 0.000) 18.635 4.123 ( 7.484 -5.224 0.000) 9.127 4.198 ( 0.915 -4.357 0.000) 4.452 4.262 ( 5.633 -9.185 0.000) 10.775 4.577 ( 5.898 -0.065 0.000) 5.898 4.740 ( -7.734 10.019 0.000) 12.657 4.805 ( -0.879 9.098 0.000) 9.140 4.970 ( -1.284 0.417 0.000) 1.350 5.039 ( -4.296 -2.197 0.000) 4.825 5.144 ( -4.749 1.391 0.000) 4.949 5.310 ( 6.708 -1.062 0.000) 6.791 5.814 ( 8.503 -0.988 0.000) 8.561 5.889 ( 2.856 10.101 0.000) 10.497 6.415 ( -4.446 -2.487 0.000) 5.095 6.458 ( -0.004 -10.425 0.000) 10.425 6.517 ( 7.182 -23.052 0.000) 24.145 6.548 ( 0.587 -1.279 0.000) 1.408 6.729 ( 12.911 9.476 0.000) 16.016 7.053 ( -4.725 4.361 0.000) 6.430 7.225 ( 16.839 30.154 0.000) 34.537 7.343 ( -10.389 5.112 0.000) 11.578 7.391 ( 19.004 0.554 0.000) 19.012 7.596 ( 0.439 13.278 0.000) 13.285 8.522 ( 2.426 6.673 0.000) 7.101 8.618 ( 2.235 34.084 0.000) 34.157 9.146 ( 0.563 4.564 0.000) 4.599 9.190 ( -1.022 -4.403 0.000) 4.520 9.234 ( -2.733 -0.321 0.000) 2.752 9.388 ( -30.518 -38.164 0.000) 48.865 9.886 ( -3.406 -8.998 0.000) 9.621 9.979 ( -14.137 -0.955 0.000) 14.169 10.013 ( -5.047 -0.808 0.000) 5.111 10.157 ( 1.611 -1.624 0.000) 2.288 10.484 ( 8.703 -1.086 0.000) 8.770 10.885 ( -3.504 1.598 0.000) 3.851 11.042 ( -0.802 0.385 0.000) 0.890 11.355 ( 23.771 39.343 0.000) 45.967 11.748 ( -4.581 1.519 0.000) 4.826 13.231 ( 1.103 -3.127 0.000) 3.316 13.245 ( 2.336 -4.400 0.000) 4.982 13.375 ( 1.913 -1.755 0.000) 2.596 13.378 ( -9.723 -15.203 0.000) 18.047 15.337 ( 14.073 15.474 0.000) 20.917 15.876 ( -0.528 0.580 0.000) 0.785 15.933 ( -3.714 -1.091 0.000) 3.871 15.979 ( 0.839 -1.151 0.000) 1.424 16.295 ( 1.844 8.812 0.000) 9.003 16.513 ( 2.314 4.984 0.000) 5.495 16.550 ( -1.708 -4.950 0.000) 5.237 16.692 ( -4.704 -0.573 0.000) 4.739 18.534 ( 3.015 11.476 0.000) 11.865 18.770 ( 3.485 -5.693 0.000) 6.675 18.911 ( -20.859 -11.863 0.000) 23.996 19.341 ( -8.336 -24.122 0.000) 25.522 22.298 ( -3.349 -14.526 0.000) 14.907 23.970 ( -58.649 -44.293 0.000) 73.495 26.621 ( 12.460 -0.169 0.000) 12.461 28.066 ( 19.482 26.543 0.000) 32.926 28.219 ( 6.322 -0.628 0.000) 6.353 28.511 ( 71.125 78.200 0.000) 105.708 29.083 ( -0.805 -2.218 0.000) 2.359 29.775 ( 3.576 14.521 0.000) 14.955 30.056 ( -1.362 -1.249 0.000) 1.848 30.274 ( -5.263 -2.223 0.000) 5.714 31.930 ( 1.550 0.457 0.000) 1.616 31.939 ( 0.572 1.744 0.000) 1.835 32.027 ( 0.386 -1.318 0.000) 1.373 32.355 ( 2.707 7.142 0.000) 7.638 32.762 ( 4.272 -24.639 0.000) 25.007 33.965 ( 3.539 4.091 0.000) 5.409 34.226 ( -99.403 -128.658 0.000) 162.585 37.283 ( -20.252 11.110 0.000) 23.100 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 34.768 -13.524 0.000) 37.306 2.036 ( 15.750 -49.388 0.000) 51.838 2.459 ( 20.164 -10.096 0.000) 22.551 2.586 ( 7.868 -9.801 0.000) 12.568 2.687 ( 27.249 -22.758 0.000) 35.503 2.921 ( 58.632 -5.016 0.000) 58.846 3.526 ( 26.546 -6.303 0.000) 27.284 4.248 ( -0.641 -2.777 0.000) 2.850 4.346 ( 4.690 2.008 0.000) 5.101 4.415 ( -6.297 5.556 0.000) 8.397 4.532 ( 7.997 -13.338 0.000) 15.552 4.621 ( -4.052 11.758 0.000) 12.436 4.718 ( 9.104 1.859 0.000) 9.292 4.955 ( -5.907 4.826 0.000) 7.628 5.014 ( 4.684 -7.560 0.000) 8.894 5.059 ( -1.697 -1.513 0.000) 2.273 5.483 ( 10.294 -3.608 0.000) 10.908 5.906 ( 2.737 -1.677 0.000) 3.210 5.995 ( 9.018 -2.558 0.000) 9.373 6.338 ( -2.593 1.105 0.000) 2.819 6.560 ( -1.148 -1.494 0.000) 1.884 6.662 ( -12.124 9.896 0.000) 15.649 6.716 ( 6.203 -17.599 0.000) 18.661 6.869 ( 11.906 2.466 0.000) 12.159 6.955 ( -8.962 -10.461 0.000) 13.775 7.089 ( 2.802 3.535 0.000) 4.511 7.180 ( 5.443 13.615 0.000) 14.663 7.308 ( -0.436 29.089 0.000) 29.092 7.790 ( 23.448 -2.054 0.000) 23.538 8.225 ( 4.065 33.528 0.000) 33.773 8.487 ( 3.907 7.016 0.000) 8.031 9.080 ( 2.257 8.317 0.000) 8.618 9.173 ( -0.419 2.750 0.000) 2.782 9.185 ( -2.752 -0.218 0.000) 2.761 9.351 ( -16.177 -16.853 0.000) 23.360 9.780 ( -11.347 -1.095 0.000) 11.400 9.841 ( -8.127 -0.598 0.000) 8.149 9.919 ( -7.478 0.818 0.000) 7.523 10.182 ( -1.047 1.504 0.000) 1.833 10.562 ( -0.404 1.558 0.000) 1.609 10.801 ( -3.483 0.431 0.000) 3.510 11.052 ( -0.858 -5.005 0.000) 5.078 11.210 ( 1.054 15.111 0.000) 15.148 11.617 ( -7.504 2.452 0.000) 7.895 13.309 ( 1.087 -5.547 0.000) 5.653 13.338 ( 3.914 -0.787 0.000) 3.993 13.428 ( -2.633 -8.898 0.000) 9.279 13.465 ( 1.908 -7.042 0.000) 7.296 15.395 ( 11.911 9.270 0.000) 15.094 15.844 ( -1.612 1.437 0.000) 2.159 15.882 ( -2.954 -0.400 0.000) 2.981 16.019 ( 0.451 -2.792 0.000) 2.829 16.219 ( 2.447 8.052 0.000) 8.416 16.492 ( 4.588 6.802 0.000) 8.205 16.576 ( -2.661 -4.671 0.000) 5.376 16.585 ( -9.010 -0.605 0.000) 9.031 18.450 ( 4.990 11.669 0.000) 12.692 18.745 ( -10.566 -3.147 0.000) 11.025 18.913 ( 6.034 -3.933 0.000) 7.203 19.445 ( -2.953 -6.753 0.000) 7.371 22.455 ( -4.903 -19.703 0.000) 20.304 23.516 ( -37.727 -14.936 0.000) 40.576 26.911 ( 21.345 0.314 0.000) 21.348 28.053 ( 14.080 19.717 0.000) 24.228 28.372 ( 8.653 -2.713 0.000) 9.069 28.695 ( 35.716 35.260 0.000) 50.188 29.112 ( 0.024 -3.904 0.000) 3.904 29.638 ( 0.318 9.972 0.000) 9.977 30.033 ( -3.940 -1.576 0.000) 4.243 30.168 ( -10.946 -2.132 0.000) 11.151 31.935 ( 1.138 1.138 0.000) 1.609 31.954 ( 2.094 0.870 0.000) 2.268 32.065 ( 0.890 -3.102 0.000) 3.227 32.334 ( 3.268 4.822 0.000) 5.825 33.211 ( 8.337 -27.481 0.000) 28.717 33.974 ( 7.189 8.538 0.000) 11.162 34.206 ( -45.659 -58.507 0.000) 74.215 36.648 ( -31.787 17.058 0.000) 36.075 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 32.977 -18.004 0.000) 37.572 2.740 ( 5.014 -8.347 0.000) 9.737 2.805 ( 12.309 -33.131 0.000) 35.343 2.995 ( 17.607 -13.577 0.000) 22.234 3.191 ( 9.979 -8.290 0.000) 12.973 3.842 ( 29.753 0.450 0.000) 29.756 3.944 ( 9.093 -3.738 0.000) 9.832 4.092 ( -3.165 10.054 0.000) 10.540 4.264 ( 7.080 4.320 0.000) 8.294 4.314 ( -9.319 6.940 0.000) 11.619 4.703 ( 13.236 -14.266 0.000) 19.461 4.811 ( 4.980 -1.743 0.000) 5.277 4.860 ( 8.644 -15.948 0.000) 18.140 4.915 ( 10.630 0.238 0.000) 10.633 5.071 ( -0.059 -0.891 0.000) 0.893 5.297 ( 11.502 -8.883 0.000) 14.533 5.741 ( 10.086 -8.922 0.000) 13.466 5.939 ( -2.612 -1.739 0.000) 3.138 6.141 ( 1.468 -6.079 0.000) 6.253 6.233 ( -20.986 6.664 0.000) 22.019 6.301 ( 0.356 3.534 0.000) 3.552 6.563 ( 1.441 -1.246 0.000) 1.905 6.759 ( -1.433 16.932 0.000) 16.993 6.847 ( -1.975 36.419 0.000) 36.472 6.950 ( -5.096 7.592 0.000) 9.144 7.085 ( 11.921 -12.454 0.000) 17.239 7.114 ( 15.973 5.381 0.000) 16.855 7.222 ( -6.803 -2.376 0.000) 7.206 8.007 ( 7.628 10.984 0.000) 13.373 8.175 ( 14.261 -5.903 0.000) 15.434 8.469 ( 6.054 7.622 0.000) 9.734 9.041 ( 5.907 7.190 0.000) 9.306 9.149 ( 1.485 1.887 0.000) 2.401 9.171 ( 1.124 0.257 0.000) 1.153 9.272 ( -14.336 -10.235 0.000) 17.614 9.628 ( -6.746 0.461 0.000) 6.762 9.670 ( -10.894 11.647 0.000) 15.948 9.710 ( -9.031 -0.280 0.000) 9.035 10.103 ( -2.675 2.866 0.000) 3.920 10.435 ( -8.105 4.780 0.000) 9.410 10.773 ( -1.357 -1.301 0.000) 1.880 11.017 ( -8.018 3.434 0.000) 8.723 11.140 ( 2.986 -3.232 0.000) 4.400 11.457 ( -7.432 2.175 0.000) 7.744 13.388 ( -0.808 -5.861 0.000) 5.916 13.396 ( 4.374 2.298 0.000) 4.941 13.516 ( 1.075 -6.499 0.000) 6.588 13.583 ( 0.630 -6.752 0.000) 6.781 15.497 ( 11.669 5.864 0.000) 13.060 15.790 ( -2.655 1.496 0.000) 3.047 15.865 ( 1.739 0.905 0.000) 1.960 16.050 ( -2.510 -4.239 0.000) 4.927 16.177 ( 2.681 5.306 0.000) 5.945 16.412 ( -11.240 0.049 0.000) 11.240 16.501 ( 5.875 5.994 0.000) 8.394 16.580 ( -3.782 -4.439 0.000) 5.832 18.414 ( 6.397 8.555 0.000) 10.682 18.627 ( -7.295 -1.171 0.000) 7.388 19.066 ( 6.827 -3.103 0.000) 7.499 19.426 ( -3.450 0.459 0.000) 3.480 22.616 ( -3.302 -15.922 0.000) 16.261 23.146 ( -22.473 -6.283 0.000) 23.335 27.291 ( 24.516 1.604 0.000) 24.568 28.020 ( 2.880 8.493 0.000) 8.968 28.543 ( 2.444 -8.137 0.000) 8.496 28.767 ( 20.648 27.353 0.000) 34.271 29.205 ( 6.160 -3.546 0.000) 7.108 29.579 ( 6.240 6.654 0.000) 9.122 29.957 ( -7.603 -1.437 0.000) 7.738 29.966 ( -15.480 -1.234 0.000) 15.529 31.946 ( 0.971 0.066 0.000) 0.974 31.971 ( 1.496 1.311 0.000) 1.989 32.136 ( 1.175 -5.046 0.000) 5.181 32.324 ( 2.531 4.726 0.000) 5.361 33.694 ( 4.147 -28.874 0.000) 29.171 33.985 ( 11.100 13.724 0.000) 17.651 34.223 ( -18.078 -30.380 0.000) 35.352 35.865 ( -33.490 17.731 0.000) 37.894 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 2.449 -18.570 0.000) 18.731 2.963 ( 27.982 -11.777 0.000) 30.359 3.129 ( -0.757 9.018 0.000) 9.049 3.324 ( 1.610 -10.275 0.000) 10.400 3.430 ( 15.330 -9.802 0.000) 18.196 3.733 ( -13.459 12.783 0.000) 18.562 3.880 ( -7.185 6.048 0.000) 9.391 3.884 ( -8.296 8.244 0.000) 11.696 4.355 ( 3.751 -8.869 0.000) 9.629 4.396 ( 7.833 2.563 0.000) 8.242 4.937 ( 3.481 -5.794 0.000) 6.759 5.039 ( -1.286 2.818 0.000) 3.098 5.201 ( 8.739 -11.730 0.000) 14.627 5.239 ( 24.072 1.402 0.000) 24.113 5.255 ( 8.106 -22.024 0.000) 23.468 5.506 ( 4.359 1.572 0.000) 4.633 5.840 ( -13.380 -4.443 0.000) 14.099 5.848 ( -8.897 0.487 0.000) 8.911 5.949 ( -0.564 -0.981 0.000) 1.132 6.181 ( 0.995 12.297 0.000) 12.337 6.339 ( 4.108 -5.671 0.000) 7.003 6.429 ( -0.167 4.764 0.000) 4.767 6.518 ( 0.102 18.066 0.000) 18.066 6.692 ( -8.624 13.091 0.000) 15.677 6.695 ( 10.696 -2.691 0.000) 11.029 6.972 ( -13.906 6.911 0.000) 15.529 7.319 ( 7.948 -2.068 0.000) 8.212 7.352 ( 5.191 -2.915 0.000) 5.953 8.127 ( 5.741 -5.876 0.000) 8.215 8.271 ( -1.885 4.789 0.000) 5.147 8.661 ( 16.100 -8.576 0.000) 18.242 9.064 ( -16.244 4.117 0.000) 16.758 9.105 ( 9.238 3.507 0.000) 9.881 9.175 ( 0.043 0.774 0.000) 0.775 9.196 ( 3.644 2.717 0.000) 4.546 9.309 ( -13.622 3.551 0.000) 14.077 9.569 ( 0.202 -0.091 0.000) 0.221 9.612 ( -4.103 -0.056 0.000) 4.103 10.080 ( 2.667 -0.933 0.000) 2.826 10.222 ( -8.888 4.528 0.000) 9.975 10.784 ( 1.338 -1.093 0.000) 1.728 10.861 ( -5.831 1.881 0.000) 6.126 11.232 ( 3.265 -2.746 0.000) 4.266 11.327 ( -5.161 1.687 0.000) 5.430 13.427 ( 3.851 3.674 0.000) 5.323 13.427 ( -2.602 -4.819 0.000) 5.477 13.607 ( 1.790 -3.147 0.000) 3.620 13.639 ( -0.819 -1.963 0.000) 2.127 15.620 ( 8.441 2.017 0.000) 8.679 15.718 ( -4.395 0.654 0.000) 4.443 15.924 ( 8.383 3.234 0.000) 8.985 16.025 ( -8.487 -5.436 0.000) 10.079 16.174 ( 3.331 2.759 0.000) 4.325 16.240 ( -7.661 -0.022 0.000) 7.661 16.532 ( 6.064 5.185 0.000) 7.979 16.564 ( -5.079 -4.692 0.000) 6.915 18.445 ( 7.042 4.447 0.000) 8.328 18.526 ( -6.919 -1.662 0.000) 7.116 19.213 ( 6.046 -2.828 0.000) 6.675 19.337 ( -4.638 2.505 0.000) 5.271 22.756 ( 1.920 -8.423 0.000) 8.639 22.913 ( -10.510 0.670 0.000) 10.532 27.653 ( 21.196 2.607 0.000) 21.356 27.906 ( -10.787 -0.067 0.000) 10.787 28.648 ( -8.045 -16.366 0.000) 18.236 28.718 ( 13.453 23.126 0.000) 26.754 29.414 ( 14.590 -1.374 0.000) 14.655 29.667 ( 11.363 4.154 0.000) 12.098 29.696 ( -17.346 -0.323 0.000) 17.349 29.822 ( -10.877 -2.097 0.000) 11.078 31.961 ( 0.258 -0.775 0.000) 0.816 31.972 ( 0.623 1.268 0.000) 1.413 32.222 ( 0.434 -5.852 0.000) 5.869 32.290 ( 1.063 5.453 0.000) 5.556 33.961 ( -16.481 -28.737 0.000) 33.127 33.991 ( 15.398 20.248 0.000) 25.438 34.511 ( 17.914 -15.719 0.000) 23.833 35.120 ( -29.039 16.157 0.000) 33.231 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 30.794 0.000 0.000) 30.794 1.256 ( 36.616 0.000 0.000) 36.616 2.301 ( 24.985 0.000 0.000) 24.985 2.412 ( 36.195 0.000 0.000) 36.195 2.535 ( 13.627 0.000 0.000) 13.627 2.865 ( 60.930 0.000 0.000) 60.930 3.415 ( 24.064 0.000 0.000) 24.064 4.166 ( 0.634 0.000 0.000) 0.634 4.250 ( 10.787 0.000 0.000) 10.787 4.355 ( 10.338 0.000 0.000) 10.338 4.693 ( -9.434 -0.000 0.000) 9.434 4.749 ( 15.309 0.000 0.000) 15.309 4.877 ( 0.368 0.000 0.000) 0.368 4.916 ( -5.737 -0.000 0.000) 5.737 4.958 ( -0.565 -0.000 0.000) 0.565 5.017 ( -8.217 -0.000 0.000) 8.217 5.442 ( 9.397 0.000 0.000) 9.397 5.949 ( -5.538 -0.000 0.000) 5.538 6.012 ( 12.854 0.000 0.000) 12.854 6.345 ( -1.599 -0.000 0.000) 1.599 6.383 ( 2.175 0.000 0.000) 2.175 6.534 ( 15.658 0.000 0.000) 15.658 6.548 ( -0.899 -0.000 0.000) 0.899 6.811 ( -23.849 -0.000 0.000) 23.849 6.883 ( 4.784 0.000 0.000) 4.784 7.213 ( -1.631 -0.000 0.000) 1.631 7.686 ( 0.633 0.000 0.000) 0.633 7.763 ( 22.797 0.000 0.000) 22.797 7.848 ( 1.653 0.000 0.000) 1.653 8.509 ( -6.240 -0.000 0.000) 6.240 8.623 ( 3.375 0.000 0.000) 3.375 9.072 ( -0.660 -0.000 0.000) 0.660 9.179 ( -2.429 -0.000 0.000) 2.429 9.192 ( 0.415 0.000 0.000) 0.415 9.208 ( 3.173 0.000 0.000) 3.173 9.741 ( -11.935 -0.000 0.000) 11.935 9.773 ( -2.836 -0.000 0.000) 2.836 9.878 ( -9.736 -0.000 0.000) 9.736 10.190 ( 2.978 0.000 0.000) 2.978 10.572 ( 1.655 0.000 0.000) 1.655 10.806 ( -6.802 -0.000 0.000) 6.802 10.976 ( -7.542 -0.000 0.000) 7.542 11.570 ( -16.947 -0.000 0.000) 16.947 11.648 ( -8.242 -0.000 0.000) 8.242 13.220 ( 3.842 0.000 0.000) 3.842 13.231 ( 1.209 0.000 0.000) 1.209 13.271 ( 4.442 0.000 0.000) 4.442 13.414 ( 3.346 0.000 0.000) 3.346 15.652 ( 8.262 0.000 0.000) 8.262 15.808 ( -6.563 -0.000 0.000) 6.563 15.870 ( -1.178 -0.000 0.000) 1.178 15.976 ( -0.228 -0.000 0.000) 0.228 16.391 ( 1.637 0.000 0.000) 1.637 16.579 ( -8.303 -0.000 0.000) 8.303 16.582 ( 3.393 0.000 0.000) 3.393 16.598 ( 3.905 0.000 0.000) 3.905 18.623 ( 1.060 0.000 0.000) 1.060 18.731 ( 6.484 0.000 0.000) 6.484 18.773 ( 5.525 0.000 0.000) 5.525 19.201 ( 3.624 0.000 0.000) 3.624 22.128 ( -4.735 -0.000 0.000) 4.735 23.123 ( -25.724 -0.000 0.000) 25.724 26.915 ( 22.033 0.000 0.000) 22.033 28.244 ( 0.791 0.000 0.000) 0.791 28.335 ( 6.604 0.000 0.000) 6.604 29.061 ( 0.793 0.000 0.000) 0.793 29.518 ( 7.705 0.000 0.000) 7.705 30.008 ( -3.683 -0.000 0.000) 3.683 30.112 ( -10.076 -0.000 0.000) 10.076 30.309 ( -9.617 -0.000 0.000) 9.617 31.970 ( 2.592 0.000 0.000) 2.592 32.026 ( 0.504 0.000 0.000) 0.504 32.075 ( 6.117 0.000 0.000) 6.117 32.155 ( -0.369 -0.000 0.000) 0.369 32.473 ( 2.771 0.000 0.000) 2.771 32.945 ( 19.104 0.000 0.000) 19.104 34.086 ( 7.819 0.000 0.000) 7.819 36.880 ( -34.676 -0.000 0.000) 34.676 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 24.231 -33.547 0.000) 41.383 1.891 ( 34.057 -6.391 0.000) 34.652 2.721 ( 15.386 -0.061 0.000) 15.386 2.769 ( 21.952 0.083 0.000) 21.952 2.944 ( 25.395 -5.469 0.000) 25.978 3.790 ( 13.311 -8.162 0.000) 15.614 3.839 ( 42.920 -0.248 0.000) 42.921 4.251 ( 6.660 -3.087 0.000) 7.341 4.417 ( 2.455 1.422 0.000) 2.837 4.450 ( -1.336 10.012 0.000) 10.101 4.552 ( 8.743 -5.192 0.000) 10.168 4.706 ( -5.267 11.968 0.000) 13.075 4.902 ( 3.263 7.106 0.000) 7.819 4.928 ( 4.551 -3.082 0.000) 5.497 4.994 ( -0.013 -4.841 0.000) 4.841 5.120 ( 19.800 -4.654 0.000) 20.339 5.607 ( 7.927 -2.430 0.000) 8.291 5.865 ( -4.223 -1.244 0.000) 4.403 6.105 ( 2.611 2.788 0.000) 3.820 6.323 ( -28.677 -1.477 0.000) 28.715 6.376 ( 1.713 2.428 0.000) 2.971 6.505 ( -1.286 -1.708 0.000) 2.138 6.623 ( 11.062 -16.991 0.000) 20.274 6.882 ( 10.039 -6.551 0.000) 11.988 6.943 ( 1.186 -1.222 0.000) 1.703 7.172 ( 0.997 5.890 0.000) 5.974 7.599 ( 0.692 15.821 0.000) 15.836 7.650 ( 6.737 26.082 0.000) 26.938 8.097 ( 14.753 -1.018 0.000) 14.788 8.489 ( -7.829 1.386 0.000) 7.951 8.631 ( 2.055 4.706 0.000) 5.135 8.950 ( -7.444 1.277 0.000) 7.553 9.168 ( -4.083 -2.063 0.000) 4.575 9.182 ( 3.613 0.617 0.000) 3.665 9.235 ( 3.608 4.873 0.000) 6.063 9.621 ( -3.153 -0.988 0.000) 3.304 9.702 ( -8.132 0.059 0.000) 8.133 9.765 ( -6.333 -4.002 0.000) 7.491 10.210 ( -0.054 3.985 0.000) 3.986 10.519 ( -6.926 1.745 0.000) 7.142 10.693 ( -7.351 -2.773 0.000) 7.857 10.803 ( -17.829 -9.151 0.000) 20.041 11.291 ( -6.133 6.916 0.000) 9.244 11.487 ( -10.062 0.482 0.000) 10.074 13.264 ( 0.264 -2.917 0.000) 2.929 13.331 ( 3.101 -5.780 0.000) 6.559 13.378 ( 5.081 -3.265 0.000) 6.039 13.474 ( 3.604 -0.223 0.000) 3.611 15.662 ( 2.349 6.077 0.000) 6.516 15.824 ( -3.583 1.007 0.000) 3.722 15.847 ( 5.757 -3.230 0.000) 6.602 15.970 ( -2.238 -1.823 0.000) 2.886 16.361 ( 1.628 7.239 0.000) 7.420 16.423 ( -9.668 0.418 0.000) 9.677 16.609 ( 4.231 4.913 0.000) 6.484 16.649 ( 5.345 3.704 0.000) 6.503 18.632 ( -1.268 1.087 0.000) 1.670 18.720 ( 7.563 12.920 0.000) 14.970 18.962 ( 6.940 -5.775 0.000) 9.029 19.318 ( 0.476 -7.670 0.000) 7.685 22.151 ( -3.773 -14.230 0.000) 14.721 22.809 ( -23.441 -13.438 0.000) 27.020 27.323 ( 26.300 0.780 0.000) 26.312 28.143 ( -9.629 2.254 0.000) 9.889 28.387 ( -3.895 -3.392 0.000) 5.165 29.147 ( 9.305 -1.093 0.000) 9.369 29.592 ( 14.248 17.456 0.000) 22.532 29.881 ( -1.048 23.824 0.000) 23.847 29.923 ( -15.354 0.770 0.000) 15.373 29.924 ( -7.371 -0.865 0.000) 7.421 31.994 ( 2.461 5.748 0.000) 6.253 32.004 ( 1.941 1.140 0.000) 2.252 32.048 ( 0.795 -1.986 0.000) 2.139 32.434 ( -0.521 -1.297 0.000) 1.397 32.712 ( -2.577 -40.206 0.000) 40.288 33.467 ( 20.139 -20.635 0.000) 28.833 34.225 ( 12.420 4.787 0.000) 13.311 36.203 ( -38.358 7.411 0.000) 39.068 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 25.771 -10.024 0.000) 27.652 2.614 ( 18.550 -35.472 0.000) 40.030 2.858 ( 12.494 2.859 0.000) 12.817 3.231 ( 23.493 -5.369 0.000) 24.099 3.307 ( 8.386 -0.125 0.000) 8.387 3.995 ( -8.241 3.612 0.000) 8.998 4.016 ( 4.263 -1.547 0.000) 4.535 4.250 ( -0.019 10.560 0.000) 10.560 4.341 ( -2.535 19.927 0.000) 20.088 4.415 ( 7.042 -2.713 0.000) 7.547 4.730 ( 4.439 -10.156 0.000) 11.084 4.785 ( 5.763 -11.627 0.000) 12.976 4.867 ( 2.139 2.274 0.000) 3.122 5.088 ( 5.694 -1.411 0.000) 5.867 5.284 ( 28.770 -1.763 0.000) 28.824 5.466 ( 11.142 -0.140 0.000) 11.143 5.729 ( -16.782 -2.071 0.000) 16.910 5.738 ( 1.226 -6.314 0.000) 6.432 5.998 ( -9.743 -3.233 0.000) 10.265 6.130 ( 2.817 -0.386 0.000) 2.843 6.303 ( -1.094 0.834 0.000) 1.375 6.579 ( 4.487 -2.808 0.000) 5.293 6.872 ( -7.942 3.979 0.000) 8.883 6.953 ( -0.729 7.428 0.000) 7.464 7.057 ( 9.844 -14.797 0.000) 17.773 7.118 ( -1.180 5.943 0.000) 6.059 7.313 ( 1.667 28.188 0.000) 28.237 7.517 ( 7.688 15.285 0.000) 17.110 8.222 ( -4.695 14.985 0.000) 15.703 8.264 ( 3.910 -1.787 0.000) 4.299 8.606 ( 1.536 2.630 0.000) 3.045 8.832 ( -17.722 -13.428 0.000) 22.234 9.148 ( -1.465 -2.057 0.000) 2.525 9.193 ( 0.732 2.994 0.000) 3.082 9.314 ( 11.980 3.180 0.000) 12.395 9.578 ( -7.937 4.155 0.000) 8.958 9.615 ( 3.830 4.670 0.000) 6.040 9.634 ( -6.361 3.964 0.000) 7.495 10.093 ( -3.885 3.019 0.000) 4.920 10.326 ( -10.629 3.486 0.000) 11.186 10.655 ( -5.152 -7.768 0.000) 9.321 10.694 ( -14.086 -14.941 0.000) 20.534 11.202 ( 1.379 2.184 0.000) 2.583 11.322 ( -9.495 -1.068 0.000) 9.555 13.303 ( -1.466 -4.373 0.000) 4.612 13.458 ( 2.541 -6.713 0.000) 7.178 13.488 ( 4.486 -0.096 0.000) 4.487 13.543 ( 2.555 -2.703 0.000) 3.720 15.653 ( 1.808 0.767 0.000) 1.964 15.725 ( -7.560 0.085 0.000) 7.561 15.936 ( -4.495 -1.795 0.000) 4.840 16.007 ( 11.243 1.188 0.000) 11.306 16.265 ( -7.185 1.441 0.000) 7.328 16.298 ( 2.471 6.983 0.000) 7.407 16.597 ( 3.176 6.778 0.000) 7.485 16.691 ( 6.771 5.311 0.000) 8.606 18.564 ( -2.697 3.938 0.000) 4.773 18.684 ( 8.520 13.141 0.000) 15.662 19.130 ( 5.912 -3.722 0.000) 6.986 19.352 ( -3.620 -1.918 0.000) 4.096 22.340 ( -0.674 -20.215 0.000) 20.226 22.678 ( -14.957 -15.880 0.000) 21.815 27.727 ( 22.830 2.912 0.000) 23.015 27.905 ( -16.436 0.148 0.000) 16.437 28.309 ( -13.793 -9.825 0.000) 16.934 29.382 ( 16.121 -1.027 0.000) 16.154 29.406 ( 1.517 26.592 0.000) 26.635 29.680 ( -13.062 1.014 0.000) 13.102 29.781 ( -11.189 -1.187 0.000) 11.252 29.793 ( 8.193 4.886 0.000) 9.539 31.974 ( 1.207 2.594 0.000) 2.861 32.006 ( 0.352 1.227 0.000) 1.276 32.099 ( 0.809 -3.499 0.000) 3.591 32.417 ( 0.715 3.401 0.000) 3.475 33.114 ( -6.790 -34.584 0.000) 35.244 34.069 ( 23.141 -17.303 0.000) 28.895 34.377 ( 17.060 9.907 0.000) 19.728 35.475 ( -33.591 10.670 0.000) 35.245 ======================= Grid point 13 (9/75) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 4.663 -6.689 0.000) 8.154 3.157 ( -10.919 5.411 0.000) 12.187 3.251 ( 8.878 -12.588 0.000) 15.404 3.278 ( 24.977 -9.596 0.000) 26.757 3.622 ( 15.046 -1.090 0.000) 15.086 3.685 ( -12.734 13.749 0.000) 18.740 3.980 ( 4.442 12.317 0.000) 13.093 4.013 ( 0.403 19.023 0.000) 19.027 4.321 ( 3.776 -2.253 0.000) 4.397 4.514 ( 2.390 2.778 0.000) 3.664 4.855 ( -8.283 -15.710 0.000) 17.760 4.880 ( -4.074 -7.202 0.000) 8.274 4.996 ( -10.587 -12.466 0.000) 16.355 5.188 ( 4.985 0.342 0.000) 4.997 5.340 ( -13.828 -2.451 0.000) 14.043 5.366 ( -13.022 -8.169 0.000) 15.372 5.821 ( 11.688 -1.020 0.000) 11.733 5.913 ( 13.786 1.192 0.000) 13.838 5.969 ( 3.127 -0.239 0.000) 3.136 6.205 ( 4.246 -1.897 0.000) 4.650 6.449 ( 11.644 -5.552 0.000) 12.900 6.549 ( -6.575 19.164 0.000) 20.261 6.617 ( -8.463 10.944 0.000) 13.835 6.776 ( -11.044 4.659 0.000) 11.987 6.884 ( -3.161 21.358 0.000) 21.590 6.936 ( 4.995 13.948 0.000) 14.815 7.346 ( 0.412 -3.915 0.000) 3.937 7.428 ( -1.185 7.667 0.000) 7.758 8.108 ( -1.473 -4.121 0.000) 4.376 8.286 ( -1.715 3.312 0.000) 3.730 8.660 ( -21.872 -9.965 0.000) 24.035 8.699 ( 6.238 -11.515 0.000) 13.096 9.155 ( -1.287 -1.580 0.000) 2.038 9.165 ( -1.680 0.662 0.000) 1.806 9.255 ( -9.394 12.979 0.000) 16.022 9.482 ( 14.737 7.796 0.000) 16.672 9.581 ( -0.008 0.651 0.000) 0.651 9.626 ( 4.328 2.352 0.000) 4.926 10.104 ( 3.483 -4.666 0.000) 5.823 10.125 ( -7.342 2.521 0.000) 7.763 10.675 ( -7.527 -9.914 0.000) 12.448 10.714 ( -1.198 -9.121 0.000) 9.199 11.211 ( -7.412 -3.692 0.000) 8.281 11.250 ( 3.369 -2.656 0.000) 4.290 13.321 ( -3.112 -4.338 0.000) 5.339 13.531 ( 3.270 3.005 0.000) 4.441 13.579 ( 1.853 -5.976 0.000) 6.256 13.607 ( 0.662 -2.063 0.000) 2.167 15.568 ( -11.922 -1.521 0.000) 12.018 15.692 ( 2.270 -1.119 0.000) 2.531 15.887 ( -2.414 -0.419 0.000) 2.450 16.154 ( -4.269 1.232 0.000) 4.444 16.156 ( 7.436 3.172 0.000) 8.085 16.295 ( 7.342 3.701 0.000) 8.222 16.545 ( 1.692 7.537 0.000) 7.725 16.738 ( 7.778 6.549 0.000) 10.167 18.452 ( -4.211 4.189 0.000) 5.940 18.680 ( 9.170 10.460 0.000) 13.910 19.256 ( 3.913 -3.379 0.000) 5.170 19.268 ( -6.144 1.356 0.000) 6.292 22.629 ( 4.846 -19.480 0.000) 20.074 22.691 ( -6.222 -12.671 0.000) 14.116 27.599 ( -21.112 -1.559 0.000) 21.170 27.888 ( -5.637 -1.941 0.000) 5.962 28.296 ( -0.194 -9.759 0.000) 9.761 29.081 ( -8.666 14.522 0.000) 16.911 29.475 ( -6.313 5.250 0.000) 8.211 29.590 ( -11.127 -1.856 0.000) 11.281 29.686 ( 15.841 -1.148 0.000) 15.882 29.891 ( 8.778 3.182 0.000) 9.337 31.963 ( 0.298 1.185 0.000) 1.222 31.988 ( -0.806 0.992 0.000) 1.278 32.158 ( -0.109 -4.567 0.000) 4.568 32.370 ( 0.079 4.978 0.000) 4.978 33.379 ( -7.257 -26.045 0.000) 27.037 34.531 ( 18.873 15.836 0.000) 24.637 34.695 ( 26.370 -16.371 0.000) 31.038 34.850 ( -22.012 10.969 0.000) 24.594 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -26.748 15.073 0.000) 30.703 3.011 ( 2.488 -12.105 0.000) 12.358 3.206 ( -0.431 24.495 0.000) 24.498 3.375 ( -7.570 13.688 0.000) 15.642 3.465 ( -3.903 18.044 0.000) 18.461 3.776 ( -1.953 -5.756 0.000) 6.078 4.027 ( 12.152 -0.301 0.000) 12.156 4.057 ( 13.486 6.632 0.000) 15.029 4.179 ( -18.394 4.081 0.000) 18.841 4.282 ( -18.005 3.011 0.000) 18.255 4.708 ( -13.900 -7.125 0.000) 15.620 4.856 ( -8.185 -3.771 0.000) 9.012 5.002 ( 1.534 -5.394 0.000) 5.608 5.195 ( -3.172 9.541 0.000) 10.055 5.296 ( -5.632 -17.491 0.000) 18.376 5.440 ( -1.576 5.398 0.000) 5.623 5.891 ( -3.163 -9.377 0.000) 9.896 5.953 ( -7.300 16.657 0.000) 18.186 5.994 ( -2.475 3.934 0.000) 4.648 6.159 ( 6.784 -0.371 0.000) 6.795 6.294 ( -12.626 8.047 0.000) 14.972 6.364 ( 9.939 -3.429 0.000) 10.514 6.547 ( 0.702 14.360 0.000) 14.377 6.666 ( -0.811 5.825 0.000) 5.882 6.724 ( 8.197 -6.721 0.000) 10.600 6.970 ( -2.568 -4.884 0.000) 5.519 7.266 ( -9.472 4.289 0.000) 10.398 7.318 ( 1.833 3.275 0.000) 3.753 8.110 ( -7.872 10.673 0.000) 13.262 8.193 ( -0.779 -9.891 0.000) 9.922 8.334 ( -25.034 -1.305 0.000) 25.068 9.014 ( -3.050 6.366 0.000) 7.059 9.044 ( 2.948 -17.652 0.000) 17.897 9.125 ( -1.135 -5.662 0.000) 5.775 9.176 ( 1.206 0.279 0.000) 1.238 9.592 ( 11.428 5.775 0.000) 12.804 9.614 ( 4.978 -0.257 0.000) 4.985 9.734 ( 9.955 1.528 0.000) 10.071 10.055 ( 0.030 -1.207 0.000) 1.208 10.275 ( 5.663 -7.903 0.000) 9.722 10.695 ( -3.230 -7.108 0.000) 7.807 10.822 ( -0.510 -9.096 0.000) 9.111 11.160 ( -5.364 -4.395 0.000) 6.935 11.368 ( 5.008 -4.446 0.000) 6.697 13.313 ( -3.897 -3.821 0.000) 5.457 13.525 ( 1.674 4.453 0.000) 4.757 13.610 ( -0.590 1.212 0.000) 1.348 13.659 ( 1.088 -2.150 0.000) 2.409 15.390 ( -11.802 -2.532 0.000) 12.071 15.750 ( 2.490 -1.511 0.000) 2.912 15.872 ( 0.973 1.219 0.000) 1.560 16.087 ( -3.438 -1.033 0.000) 3.590 16.159 ( 0.164 3.619 0.000) 3.623 16.425 ( 3.673 -0.446 0.000) 3.700 16.488 ( 8.022 8.072 0.000) 11.380 16.777 ( 8.069 8.327 0.000) 11.595 18.333 ( -4.729 1.967 0.000) 5.122 18.726 ( 9.809 7.208 0.000) 12.172 19.131 ( -7.152 2.092 0.000) 7.452 19.353 ( 2.381 -3.962 0.000) 4.623 22.765 ( 0.500 -5.396 0.000) 5.419 23.006 ( 13.360 -16.429 0.000) 21.176 27.250 ( -22.666 -1.488 0.000) 22.715 27.701 ( -25.405 -13.382 0.000) 28.714 28.415 ( 0.086 -3.992 0.000) 3.993 28.753 ( -13.764 7.118 0.000) 15.495 29.337 ( -1.096 7.009 0.000) 7.095 29.453 ( -6.960 -3.282 0.000) 7.696 29.967 ( 14.768 -1.164 0.000) 14.814 29.991 ( 6.471 1.347 0.000) 6.610 31.953 ( -0.402 0.356 0.000) 0.537 31.957 ( -1.580 0.606 0.000) 1.692 32.206 ( -1.132 -4.540 0.000) 4.679 32.292 ( -0.569 6.459 0.000) 6.484 33.552 ( -6.220 -19.229 0.000) 20.209 34.266 ( -14.296 17.064 0.000) 22.261 34.805 ( 25.656 15.585 0.000) 30.018 35.375 ( 27.810 -19.305 0.000) 33.854 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -29.063 23.962 0.000) 37.667 2.828 ( -43.377 12.486 0.000) 45.138 2.850 ( -8.808 20.540 0.000) 22.349 3.042 ( -2.005 23.409 0.000) 23.495 3.125 ( -8.658 15.964 0.000) 18.161 3.376 ( -15.060 5.429 0.000) 16.009 3.694 ( -26.660 6.991 0.000) 27.561 4.063 ( 1.648 6.750 0.000) 6.949 4.243 ( 8.348 -1.962 0.000) 8.575 4.369 ( 8.181 -7.607 0.000) 11.171 4.721 ( -7.444 2.035 0.000) 7.717 4.738 ( 2.798 -8.798 0.000) 9.232 4.917 ( -8.683 16.167 0.000) 18.351 4.923 ( -9.896 34.328 0.000) 35.726 5.089 ( 2.682 -1.315 0.000) 2.987 5.281 ( -3.830 6.205 0.000) 7.292 5.689 ( -12.442 13.410 0.000) 18.293 5.895 ( -3.926 -4.313 0.000) 5.832 6.026 ( -11.159 -17.949 0.000) 21.135 6.287 ( 5.459 -4.915 0.000) 7.345 6.355 ( 2.514 -15.796 0.000) 15.995 6.443 ( 2.782 -5.822 0.000) 6.453 6.649 ( 0.245 -1.365 0.000) 1.386 6.654 ( 10.604 -9.805 0.000) 14.443 6.776 ( -6.335 -3.373 0.000) 7.177 7.001 ( 5.330 -0.303 0.000) 5.339 7.030 ( -9.106 6.425 0.000) 11.145 7.407 ( 6.459 -1.689 0.000) 6.676 7.792 ( -12.350 9.088 0.000) 15.333 7.891 ( -24.984 4.025 0.000) 25.306 8.303 ( -1.229 -8.819 0.000) 8.904 8.941 ( -0.985 0.670 0.000) 1.191 9.060 ( -3.610 -4.976 0.000) 6.148 9.204 ( 3.286 1.187 0.000) 3.494 9.391 ( 2.498 -15.576 0.000) 15.775 9.759 ( 9.795 -2.258 0.000) 10.052 9.770 ( 11.341 -2.362 0.000) 11.584 9.885 ( 9.959 1.066 0.000) 10.016 10.130 ( 5.325 -2.112 0.000) 5.729 10.446 ( 1.420 -7.885 0.000) 8.012 10.740 ( -0.710 -5.047 0.000) 5.097 10.909 ( -3.494 -9.235 0.000) 9.874 11.122 ( -5.337 -2.623 0.000) 5.947 11.522 ( 5.874 -4.933 0.000) 7.671 13.293 ( -3.616 -3.067 0.000) 4.741 13.467 ( -0.654 5.942 0.000) 5.978 13.578 ( 0.744 3.361 0.000) 3.442 13.659 ( 0.310 4.135 0.000) 4.147 15.253 ( -8.715 -2.959 0.000) 9.203 15.810 ( 2.467 -1.227 0.000) 2.755 15.885 ( 2.618 1.125 0.000) 2.849 16.066 ( -2.810 -3.517 0.000) 4.501 16.097 ( -2.140 3.004 0.000) 3.688 16.381 ( -2.964 0.483 0.000) 3.003 16.624 ( 10.432 2.830 0.000) 10.809 16.790 ( 7.336 9.905 0.000) 12.326 18.261 ( -3.818 -2.323 0.000) 4.469 18.825 ( 11.080 4.419 0.000) 11.928 18.988 ( -6.299 2.270 0.000) 6.696 19.442 ( 1.954 -4.217 0.000) 4.647 22.816 ( 4.007 4.567 0.000) 6.075 23.518 ( 25.551 -14.098 0.000) 29.182 26.901 ( -19.778 -0.424 0.000) 19.782 27.409 ( -35.887 -20.784 0.000) 41.472 28.366 ( -10.145 -2.514 0.000) 10.452 28.457 ( -12.823 3.598 0.000) 13.319 29.248 ( 0.483 6.435 0.000) 6.453 29.459 ( 0.848 -4.804 0.000) 4.879 30.065 ( 3.745 0.680 0.000) 3.806 30.193 ( 10.741 -0.504 0.000) 10.753 31.924 ( -1.738 0.049 0.000) 1.738 31.940 ( -0.869 0.047 0.000) 0.871 32.194 ( -0.799 6.769 0.000) 6.816 32.235 ( -1.672 -3.617 0.000) 3.984 33.673 ( -4.685 -14.344 0.000) 15.090 33.830 ( -9.348 20.311 0.000) 22.359 35.097 ( 35.039 17.990 0.000) 39.387 36.103 ( 25.731 -23.580 0.000) 34.902 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -24.211 25.682 0.000) 35.295 1.699 ( -63.378 13.465 0.000) 64.792 2.378 ( -14.079 21.473 0.000) 25.677 2.677 ( -5.619 30.443 0.000) 30.957 2.720 ( -1.283 22.825 0.000) 22.861 2.846 ( -8.986 48.961 0.000) 49.779 3.204 ( -18.390 7.054 0.000) 19.696 4.220 ( 3.864 -14.079 0.000) 14.600 4.343 ( 4.904 4.047 0.000) 6.358 4.426 ( -7.914 2.000 0.000) 8.163 4.564 ( -8.838 8.934 0.000) 12.567 4.588 ( 4.454 -3.372 0.000) 5.586 4.596 ( -4.960 5.594 0.000) 7.476 4.969 ( 7.434 -6.424 0.000) 9.824 5.112 ( 0.376 12.779 0.000) 12.784 5.114 ( 1.464 2.995 0.000) 3.334 5.386 ( -8.083 5.937 0.000) 10.029 5.807 ( -8.229 -1.441 0.000) 8.354 5.913 ( -6.587 5.125 0.000) 8.346 6.402 ( 4.881 -1.843 0.000) 5.217 6.564 ( -9.983 0.219 0.000) 9.986 6.609 ( 1.311 -13.008 0.000) 13.074 6.611 ( 3.751 2.052 0.000) 4.276 6.801 ( -4.375 1.189 0.000) 4.533 6.907 ( 1.047 -26.967 0.000) 26.987 6.961 ( 0.336 -4.893 0.000) 4.905 7.198 ( 13.451 -5.595 0.000) 14.568 7.336 ( 3.001 18.504 0.000) 18.745 7.435 ( -21.007 4.538 0.000) 21.492 7.707 ( -9.360 -24.939 0.000) 26.638 8.367 ( -1.350 -5.116 0.000) 5.291 8.964 ( -0.311 -5.898 0.000) 5.907 9.100 ( -0.960 -6.590 0.000) 6.659 9.247 ( 2.929 0.885 0.000) 3.060 9.618 ( 5.992 -10.994 0.000) 12.521 9.956 ( 5.407 -3.772 0.000) 6.593 9.969 ( 10.987 -2.354 0.000) 11.237 10.019 ( 6.027 -0.091 0.000) 6.027 10.256 ( 9.106 2.033 0.000) 9.330 10.484 ( -5.763 -3.383 0.000) 6.682 10.809 ( 1.721 -4.248 0.000) 4.583 10.914 ( -11.317 -6.422 0.000) 13.012 11.038 ( -5.108 -0.768 0.000) 5.165 11.671 ( 4.074 -4.524 0.000) 6.089 13.275 ( -2.248 -1.895 0.000) 2.940 13.367 ( -1.144 6.603 0.000) 6.702 13.558 ( 2.112 3.413 0.000) 4.014 13.566 ( -0.352 9.818 0.000) 9.824 15.173 ( -5.240 -2.472 0.000) 5.793 15.859 ( 1.863 -0.568 0.000) 1.947 15.939 ( 4.067 -0.506 0.000) 4.099 16.023 ( -2.394 2.016 0.000) 3.130 16.073 ( -3.443 -5.924 0.000) 6.852 16.356 ( -2.254 -4.044 0.000) 4.630 16.725 ( 5.304 2.111 0.000) 5.708 16.766 ( 4.962 10.241 0.000) 11.380 18.271 ( -2.100 -7.058 0.000) 7.363 18.872 ( -3.638 2.743 0.000) 4.556 18.979 ( 10.951 1.171 0.000) 11.013 19.525 ( 2.748 -2.976 0.000) 4.051 22.758 ( 3.416 14.762 0.000) 15.152 24.256 ( 41.496 -15.453 0.000) 44.280 26.629 ( -11.822 0.433 0.000) 11.830 26.996 ( -48.716 -22.692 0.000) 53.742 28.195 ( -10.881 -0.660 0.000) 10.901 28.250 ( -7.455 1.754 0.000) 7.658 29.183 ( 0.496 5.221 0.000) 5.245 29.565 ( 2.294 -6.191 0.000) 6.602 30.097 ( 1.504 1.242 0.000) 1.950 30.329 ( 5.612 0.987 0.000) 5.698 31.903 ( -1.086 -0.773 0.000) 1.333 31.923 ( -0.904 0.128 0.000) 0.913 32.105 ( -0.500 5.152 0.000) 5.177 32.248 ( -1.398 -2.742 0.000) 3.077 33.427 ( -4.547 24.907 0.000) 25.319 33.769 ( -2.688 -10.697 0.000) 11.029 35.529 ( 40.870 13.556 0.000) 43.060 36.787 ( 16.921 -25.409 0.000) 30.527 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -0.000 24.408 0.000) 24.408 0.702 ( -0.000 24.751 0.000) 24.751 1.902 ( -0.000 71.813 0.000) 71.813 1.955 ( -0.000 19.996 0.000) 19.996 2.354 ( -0.000 19.375 0.000) 19.375 2.452 ( -0.000 15.154 0.000) 15.154 2.961 ( -0.000 5.879 0.000) 5.879 4.146 ( -0.000 8.470 0.000) 8.470 4.275 ( -0.000 10.123 0.000) 10.123 4.361 ( -0.000 10.582 0.000) 10.582 4.528 ( 0.000 -0.082 0.000) 0.082 4.663 ( 0.000 -19.644 0.000) 19.644 4.706 ( 0.000 -8.046 0.000) 8.046 5.004 ( -0.000 4.817 0.000) 4.817 5.086 ( -0.000 1.391 0.000) 1.391 5.118 ( 0.000 -6.897 0.000) 6.897 5.269 ( -0.000 2.251 0.000) 2.251 5.755 ( 0.000 -4.140 0.000) 4.140 5.782 ( -0.000 4.873 0.000) 4.873 6.370 ( -0.000 6.528 0.000) 6.528 6.465 ( 0.000 -1.523 0.000) 1.523 6.603 ( -0.000 5.227 0.000) 5.227 6.630 ( -0.000 15.443 0.000) 15.443 6.749 ( -0.000 1.249 0.000) 1.249 6.971 ( 0.000 -1.117 0.000) 1.117 7.068 ( -0.000 9.234 0.000) 9.234 7.197 ( 0.000 -0.394 0.000) 0.394 7.325 ( 0.000 -28.223 0.000) 28.223 7.485 ( 0.000 -0.617 0.000) 0.617 8.044 ( 0.000 -41.977 0.000) 41.977 8.417 ( 0.000 -5.720 0.000) 5.720 9.059 ( 0.000 -8.103 0.000) 8.103 9.171 ( 0.000 -4.720 0.000) 4.720 9.264 ( -0.000 0.579 0.000) 0.579 9.837 ( 0.000 -8.213 0.000) 8.213 10.037 ( 0.000 -1.688 0.000) 1.688 10.091 ( 0.000 -2.516 0.000) 2.516 10.129 ( 0.000 -2.674 0.000) 2.674 10.399 ( -0.000 2.906 0.000) 2.906 10.410 ( 0.000 -0.550 0.000) 0.550 10.610 ( -0.000 14.276 0.000) 14.276 10.880 ( 0.000 -3.558 0.000) 3.558 11.037 ( 0.000 -2.384 0.000) 2.384 11.757 ( 0.000 -3.205 0.000) 3.205 13.265 ( -0.000 0.817 0.000) 0.817 13.277 ( -0.000 5.518 0.000) 5.518 13.429 ( -0.000 9.312 0.000) 9.312 13.553 ( -0.000 1.797 0.000) 1.797 15.141 ( 0.000 -0.764 0.000) 0.764 15.879 ( 0.000 -0.099 0.000) 0.099 15.977 ( -0.000 1.313 0.000) 1.313 15.982 ( -0.000 1.119 0.000) 1.119 16.145 ( 0.000 -10.656 0.000) 10.656 16.411 ( 0.000 -6.981 0.000) 6.981 16.687 ( -0.000 9.146 0.000) 9.146 16.746 ( -0.000 1.474 0.000) 1.474 18.367 ( 0.000 -10.493 0.000) 10.493 18.800 ( -0.000 3.795 0.000) 3.795 19.096 ( 0.000 -1.516 0.000) 1.516 19.614 ( 0.000 -3.791 0.000) 3.791 22.559 ( -0.000 19.827 0.000) 19.827 25.188 ( 0.000 -32.156 0.000) 32.156 26.443 ( -0.000 0.263 0.000) 0.263 26.520 ( -0.000 0.534 0.000) 0.534 28.086 ( -0.000 0.748 0.000) 0.748 28.172 ( -0.000 0.863 0.000) 0.863 29.129 ( -0.000 3.915 0.000) 3.915 29.669 ( 0.000 -6.634 0.000) 6.634 30.088 ( -0.000 1.804 0.000) 1.804 30.352 ( -0.000 2.522 0.000) 2.522 31.911 ( 0.000 -1.721 0.000) 1.721 31.913 ( 0.000 -0.104 0.000) 0.104 32.050 ( -0.000 2.874 0.000) 2.874 32.270 ( 0.000 -3.252 0.000) 3.252 33.052 ( -0.000 26.987 0.000) 26.987 33.862 ( 0.000 -7.506 0.000) 7.506 35.962 ( 0.000 -3.147 0.000) 3.147 37.243 ( 0.000 -21.222 0.000) 21.222 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 25.005 0.000 0.000) 25.005 2.389 ( 30.153 0.000 0.000) 30.153 3.065 ( 19.477 0.000 0.000) 19.477 3.081 ( 17.040 0.000 0.000) 17.040 3.300 ( 16.972 0.000 0.000) 16.972 3.840 ( 4.642 0.000 0.000) 4.642 4.055 ( -8.602 -0.000 0.000) 8.602 4.384 ( 8.890 0.000 0.000) 8.890 4.488 ( 0.584 0.000 0.000) 0.584 4.535 ( 1.432 0.000 0.000) 1.432 4.655 ( 6.993 0.000 0.000) 6.993 4.733 ( -4.975 -0.000 0.000) 4.975 4.991 ( 2.729 0.000 0.000) 2.729 5.048 ( 10.406 0.000 0.000) 10.406 5.203 ( 33.075 0.000 0.000) 33.075 5.508 ( 26.256 0.000 0.000) 26.256 5.611 ( -8.661 -0.000 0.000) 8.661 5.797 ( -2.550 -0.000 0.000) 2.550 5.805 ( -29.638 -0.000 0.000) 29.638 6.159 ( 2.884 0.000 0.000) 2.884 6.315 ( -5.008 -0.000 0.000) 5.008 6.538 ( 3.509 0.000 0.000) 3.509 6.745 ( 14.942 0.000 0.000) 14.942 6.895 ( -5.350 -0.000 0.000) 5.350 6.998 ( 5.364 0.000 0.000) 5.364 7.242 ( 1.983 0.000 0.000) 1.983 7.725 ( 1.806 0.000 0.000) 1.806 7.912 ( 1.092 0.000 0.000) 1.092 8.245 ( 3.934 0.000 0.000) 3.934 8.246 ( -9.758 -0.000 0.000) 9.758 8.655 ( -1.554 -0.000 0.000) 1.554 8.828 ( -22.985 -0.000 0.000) 22.985 9.056 ( -0.479 -0.000 0.000) 0.479 9.246 ( -3.482 -0.000 0.000) 3.482 9.323 ( 11.582 0.000 0.000) 11.582 9.598 ( -3.004 -0.000 0.000) 3.004 9.671 ( -3.173 -0.000 0.000) 3.173 9.713 ( 10.920 0.000 0.000) 10.920 10.275 ( 2.115 0.000 0.000) 2.115 10.325 ( -25.782 -0.000 0.000) 25.782 10.384 ( -10.192 -0.000 0.000) 10.192 10.517 ( -9.976 -0.000 0.000) 9.976 11.252 ( -2.617 -0.000 0.000) 2.617 11.307 ( -11.311 -0.000 0.000) 11.311 13.239 ( -1.024 -0.000 0.000) 1.024 13.360 ( 3.699 0.000 0.000) 3.699 13.447 ( 5.381 0.000 0.000) 5.381 13.539 ( 3.799 0.000 0.000) 3.799 15.664 ( -1.254 -0.000 0.000) 1.254 15.726 ( -8.869 -0.000 0.000) 8.869 15.916 ( -2.805 -0.000 0.000) 2.805 16.008 ( 12.088 0.000 0.000) 12.088 16.288 ( -6.419 -0.000 0.000) 6.419 16.411 ( -0.747 -0.000 0.000) 0.747 16.740 ( 5.672 0.000 0.000) 5.672 16.760 ( 5.380 0.000 0.000) 5.380 18.650 ( -0.155 -0.000 0.000) 0.155 18.977 ( 5.711 0.000 0.000) 5.711 19.004 ( 9.019 0.000 0.000) 9.019 19.287 ( 0.838 0.000 0.000) 0.838 22.014 ( -0.877 -0.000 0.000) 0.877 22.400 ( -15.302 -0.000 0.000) 15.302 27.774 ( 25.892 0.000 0.000) 25.892 27.910 ( -18.216 -0.000 0.000) 18.216 28.174 ( -17.393 -0.000 0.000) 17.393 29.368 ( 16.363 0.000 0.000) 16.363 29.613 ( -20.000 -0.000 0.000) 20.000 29.764 ( -11.019 -0.000 0.000) 11.019 29.849 ( 8.994 0.000 0.000) 8.994 29.946 ( -10.091 -0.000 0.000) 10.091 32.029 ( -0.739 -0.000 0.000) 0.739 32.048 ( 1.497 0.000 0.000) 1.497 32.147 ( -0.033 -0.000 0.000) 0.033 32.240 ( 3.028 0.000 0.000) 3.028 32.658 ( 8.009 0.000 0.000) 8.009 33.798 ( 29.593 0.000 0.000) 29.593 34.502 ( 16.924 0.000 0.000) 16.924 35.618 ( -35.642 -0.000 0.000) 35.642 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 19.874 -23.199 0.000) 30.548 2.836 ( 18.916 2.085 0.000) 19.030 3.170 ( 15.279 7.270 0.000) 16.921 3.341 ( -10.265 4.151 0.000) 11.073 3.532 ( 19.319 -10.645 0.000) 22.058 3.887 ( -7.993 2.848 0.000) 8.485 3.992 ( 3.352 -9.167 0.000) 9.760 4.397 ( 0.991 5.442 0.000) 5.532 4.489 ( 4.480 0.994 0.000) 4.589 4.515 ( -5.625 12.944 0.000) 14.113 4.679 ( 5.075 -1.423 0.000) 5.271 4.782 ( 5.072 -3.858 0.000) 6.372 4.973 ( -0.879 10.339 0.000) 10.376 5.236 ( 9.336 1.319 0.000) 9.429 5.254 ( -28.753 -1.357 0.000) 28.785 5.296 ( -20.843 2.922 0.000) 21.047 5.781 ( 22.185 -7.121 0.000) 23.300 5.821 ( -1.173 -5.417 0.000) 5.542 5.936 ( 22.393 0.538 0.000) 22.399 6.223 ( 6.788 2.051 0.000) 7.091 6.346 ( 6.590 -2.833 0.000) 7.173 6.613 ( 2.998 -2.296 0.000) 3.777 6.739 ( -11.517 2.317 0.000) 11.748 6.986 ( 2.065 -11.219 0.000) 11.408 6.992 ( -5.012 4.563 0.000) 6.778 7.227 ( 1.781 6.852 0.000) 7.080 7.642 ( 2.006 17.664 0.000) 17.778 7.752 ( -2.656 15.291 0.000) 15.520 8.160 ( -11.927 -2.630 0.000) 12.214 8.270 ( -0.478 -1.989 0.000) 2.045 8.368 ( -24.656 -3.761 0.000) 24.941 8.618 ( -1.594 0.838 0.000) 1.801 9.076 ( -1.048 -3.836 0.000) 3.977 9.184 ( -3.339 0.366 0.000) 3.359 9.533 ( -9.803 6.658 0.000) 11.850 9.547 ( 14.221 -0.125 0.000) 14.221 9.597 ( 1.082 0.415 0.000) 1.159 9.813 ( 4.775 7.797 0.000) 9.143 9.998 ( -7.945 -2.699 0.000) 8.391 10.204 ( -7.725 3.880 0.000) 8.645 10.380 ( -0.620 -9.147 0.000) 9.168 10.432 ( -6.482 -10.769 0.000) 12.569 11.131 ( -10.585 -1.724 0.000) 10.724 11.228 ( 0.399 0.228 0.000) 0.459 13.228 ( -2.270 -2.308 0.000) 3.237 13.434 ( 2.227 -3.608 0.000) 4.240 13.539 ( 3.935 -1.467 0.000) 4.199 13.592 ( 3.051 0.838 0.000) 3.164 15.547 ( -12.176 -0.331 0.000) 12.180 15.670 ( 1.493 -0.517 0.000) 1.580 15.881 ( -1.067 -0.125 0.000) 1.074 16.204 ( 11.028 0.932 0.000) 11.067 16.205 ( -2.788 1.729 0.000) 3.280 16.371 ( -1.167 1.894 0.000) 2.225 16.787 ( 5.736 7.106 0.000) 9.132 16.840 ( 5.723 1.580 0.000) 5.937 18.596 ( -2.154 5.019 0.000) 5.461 18.983 ( 7.201 10.182 0.000) 12.471 19.178 ( 5.684 -2.782 0.000) 6.328 19.284 ( -2.530 0.122 0.000) 2.533 22.125 ( 2.684 -14.343 0.000) 14.592 22.289 ( -8.529 -12.848 0.000) 15.421 27.575 ( -21.509 -0.427 0.000) 21.513 27.827 ( -22.988 -1.801 0.000) 23.059 28.172 ( 17.773 -1.519 0.000) 17.838 29.251 ( -21.965 1.207 0.000) 21.998 29.565 ( -11.951 -0.318 0.000) 11.955 29.654 ( 16.029 -0.900 0.000) 16.054 29.726 ( -5.864 9.286 0.000) 10.982 29.961 ( 6.170 1.738 0.000) 6.411 32.005 ( -1.732 0.317 0.000) 1.760 32.067 ( 1.651 7.379 0.000) 7.562 32.075 ( 0.332 -1.729 0.000) 1.761 32.373 ( -1.165 -7.806 0.000) 7.892 32.853 ( 7.021 -9.753 0.000) 12.017 34.351 ( 28.595 -8.481 0.000) 29.826 34.783 ( 19.909 4.533 0.000) 20.419 35.057 ( -27.127 4.525 0.000) 27.502 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 5.215 6.728 0.000) 8.513 2.965 ( -19.476 7.466 0.000) 20.858 3.205 ( 14.350 -26.589 0.000) 30.214 3.510 ( 13.597 -7.468 0.000) 15.513 3.653 ( -9.732 9.979 0.000) 13.939 3.851 ( 7.688 4.634 0.000) 8.976 4.101 ( -11.134 -11.061 0.000) 15.694 4.180 ( -11.716 11.046 0.000) 16.102 4.456 ( 4.686 0.118 0.000) 4.687 4.484 ( -19.947 10.302 0.000) 22.450 4.546 ( 1.741 -2.320 0.000) 2.901 4.584 ( -9.150 11.730 0.000) 14.877 4.892 ( 0.819 -2.832 0.000) 2.948 5.039 ( -7.379 -3.997 0.000) 8.392 5.101 ( 0.415 -7.216 0.000) 7.228 5.395 ( 10.708 5.334 0.000) 11.963 5.868 ( 0.613 -2.569 0.000) 2.642 6.044 ( 0.870 1.800 0.000) 1.999 6.125 ( 4.422 5.455 0.000) 7.022 6.389 ( 14.869 2.916 0.000) 15.152 6.522 ( -9.232 -2.919 0.000) 9.682 6.573 ( 12.329 -6.474 0.000) 13.925 6.644 ( -0.330 5.207 0.000) 5.217 6.684 ( -15.390 15.544 0.000) 21.874 6.983 ( -10.825 0.651 0.000) 10.845 7.114 ( 0.279 14.754 0.000) 14.756 7.440 ( 3.424 15.226 0.000) 15.607 7.461 ( -9.816 11.834 0.000) 15.375 7.965 ( -8.605 -4.453 0.000) 9.689 8.166 ( -18.798 -11.024 0.000) 21.792 8.291 ( -1.569 0.108 0.000) 1.572 8.620 ( -0.325 -6.965 0.000) 6.973 9.101 ( -6.612 0.129 0.000) 6.613 9.126 ( 1.951 -2.918 0.000) 3.510 9.261 ( -7.147 8.129 0.000) 10.824 9.630 ( 3.769 1.438 0.000) 4.034 9.743 ( 3.459 4.818 0.000) 5.931 9.787 ( 13.008 3.254 0.000) 13.409 10.038 ( -0.432 -9.647 0.000) 9.656 10.053 ( -4.832 1.652 0.000) 5.106 10.485 ( 0.350 -7.480 0.000) 7.488 10.535 ( -2.280 -13.287 0.000) 13.481 11.012 ( -8.578 -4.965 0.000) 9.911 11.270 ( 2.861 -2.630 0.000) 3.887 13.218 ( -3.127 -3.185 0.000) 4.464 13.524 ( 1.048 -6.094 0.000) 6.184 13.597 ( 1.594 0.348 0.000) 1.632 13.621 ( 1.963 0.965 0.000) 2.187 15.353 ( -11.217 -0.733 0.000) 11.241 15.719 ( 2.975 -0.909 0.000) 3.110 15.893 ( 2.594 0.316 0.000) 2.613 16.134 ( -1.835 3.656 0.000) 4.090 16.254 ( -0.669 4.018 0.000) 4.073 16.420 ( 6.831 -0.501 0.000) 6.849 16.767 ( 6.057 10.547 0.000) 12.162 16.915 ( 6.151 2.257 0.000) 6.552 18.469 ( -3.395 6.938 0.000) 7.724 18.978 ( 8.429 10.622 0.000) 13.561 19.192 ( -5.452 3.135 0.000) 6.290 19.271 ( 2.598 -1.701 0.000) 3.105 22.408 ( -2.694 -18.793 0.000) 18.985 22.448 ( 6.913 -22.999 0.000) 24.016 27.219 ( -21.581 -0.825 0.000) 21.597 27.448 ( -27.953 -6.210 0.000) 28.634 28.388 ( 5.760 0.295 0.000) 5.768 28.872 ( -20.075 2.341 0.000) 20.211 29.403 ( -6.813 -0.957 0.000) 6.880 29.543 ( -3.082 7.815 0.000) 8.401 29.922 ( 13.548 -1.837 0.000) 13.672 30.026 ( 4.107 1.219 0.000) 4.284 31.967 ( -2.355 0.128 0.000) 2.359 32.014 ( 1.125 4.811 0.000) 4.941 32.105 ( -0.298 -3.033 0.000) 3.048 32.400 ( -0.746 0.068 0.000) 0.749 33.095 ( 3.072 -13.834 0.000) 14.171 34.591 ( -17.538 8.557 0.000) 19.515 34.944 ( 25.542 -13.249 0.000) 28.773 35.072 ( 21.882 6.214 0.000) 22.748 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -20.750 15.718 0.000) 26.031 2.941 ( -3.861 0.985 0.000) 3.985 3.153 ( -49.108 -1.630 0.000) 49.135 3.329 ( -9.249 14.925 0.000) 17.558 3.606 ( 8.392 6.505 0.000) 10.618 3.685 ( -4.270 17.356 0.000) 17.873 3.830 ( -22.225 1.231 0.000) 22.259 4.130 ( 8.936 -11.898 0.000) 14.880 4.275 ( 4.139 10.448 0.000) 11.238 4.483 ( 12.959 14.747 0.000) 19.632 4.579 ( 0.087 -2.595 0.000) 2.596 4.654 ( -0.202 -17.104 0.000) 17.105 4.949 ( 1.576 -8.175 0.000) 8.325 4.973 ( -5.645 -4.923 0.000) 7.490 5.331 ( 3.575 -17.664 0.000) 18.022 5.358 ( -1.112 17.032 0.000) 17.069 5.750 ( -11.286 7.661 0.000) 13.640 6.003 ( -8.692 10.080 0.000) 13.310 6.016 ( 1.533 -0.227 0.000) 1.550 6.207 ( -11.724 11.045 0.000) 16.107 6.248 ( -9.566 23.203 0.000) 25.098 6.545 ( -1.718 -8.454 0.000) 8.627 6.619 ( 8.820 2.817 0.000) 9.259 6.798 ( 6.995 3.661 0.000) 7.896 6.869 ( -1.184 20.955 0.000) 20.988 6.955 ( 10.406 -4.097 0.000) 11.184 7.183 ( -8.856 7.358 0.000) 11.514 7.357 ( -1.367 2.710 0.000) 3.036 7.862 ( -20.062 -6.888 0.000) 21.212 8.055 ( -3.422 -8.507 0.000) 9.169 8.140 ( -6.677 11.153 0.000) 12.999 8.791 ( -2.767 -19.263 0.000) 19.460 9.004 ( -5.416 -4.230 0.000) 6.872 9.092 ( -0.330 7.960 0.000) 7.967 9.222 ( 4.154 -0.862 0.000) 4.242 9.703 ( 6.064 -1.201 0.000) 6.182 9.773 ( 5.837 1.581 0.000) 6.048 9.930 ( 6.487 2.269 0.000) 6.873 10.067 ( 6.142 -2.861 0.000) 6.776 10.166 ( -2.431 -12.866 0.000) 13.093 10.583 ( 1.284 -5.932 0.000) 6.070 10.649 ( -3.702 -12.024 0.000) 12.581 10.964 ( -7.112 -7.352 0.000) 10.229 11.383 ( 4.145 -5.350 0.000) 6.768 13.207 ( -3.101 -3.319 0.000) 4.542 13.584 ( -0.191 3.009 0.000) 3.015 13.615 ( 0.291 -6.028 0.000) 6.036 13.632 ( 1.060 1.378 0.000) 1.739 15.205 ( -7.711 -1.183 0.000) 7.801 15.786 ( 3.758 -0.628 0.000) 3.810 15.942 ( 4.303 2.235 0.000) 4.849 16.056 ( -1.656 3.046 0.000) 3.467 16.170 ( -3.611 2.825 0.000) 4.584 16.484 ( 2.607 4.639 0.000) 5.322 16.757 ( 7.652 7.673 0.000) 10.837 16.979 ( 5.807 3.867 0.000) 6.976 18.325 ( -3.170 6.277 0.000) 7.032 19.001 ( 9.285 8.858 0.000) 12.833 19.049 ( -5.892 3.325 0.000) 6.765 19.327 ( 0.811 -3.436 0.000) 3.531 22.636 ( 1.372 -16.985 0.000) 17.040 22.934 ( 12.127 -28.085 0.000) 30.591 26.890 ( -18.207 -0.374 0.000) 18.210 27.060 ( -29.129 -7.979 0.000) 30.202 28.357 ( -7.074 0.804 0.000) 7.120 28.539 ( -15.468 2.585 0.000) 15.683 29.382 ( 1.599 -1.552 0.000) 2.228 29.416 ( -1.629 6.162 0.000) 6.373 30.072 ( 2.395 0.046 0.000) 2.395 30.146 ( 9.625 -2.718 0.000) 10.001 31.926 ( -2.225 0.048 0.000) 2.226 31.977 ( 0.510 3.232 0.000) 3.272 32.141 ( -0.564 -3.542 0.000) 3.587 32.360 ( -0.267 4.645 0.000) 4.653 33.298 ( 0.365 -13.505 0.000) 13.510 34.236 ( -9.734 11.735 0.000) 15.247 35.368 ( 22.542 5.661 0.000) 23.242 35.540 ( 20.999 -19.016 0.000) 28.330 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -15.394 26.614 0.000) 30.745 2.011 ( -55.820 10.989 0.000) 56.891 2.938 ( -10.568 20.270 0.000) 22.859 3.185 ( 2.390 -13.542 0.000) 13.752 3.347 ( -4.764 21.099 0.000) 21.630 3.383 ( -13.047 9.108 0.000) 15.912 3.459 ( 1.033 28.055 0.000) 28.074 4.330 ( 4.113 13.377 0.000) 13.995 4.362 ( 5.619 -1.415 0.000) 5.794 4.402 ( 3.499 -0.290 0.000) 3.511 4.654 ( 0.127 -0.858 0.000) 0.867 4.674 ( -2.846 6.687 0.000) 7.267 4.980 ( -8.924 16.309 0.000) 18.591 5.075 ( 0.654 1.196 0.000) 1.363 5.237 ( 3.227 -24.192 0.000) 24.406 5.303 ( 0.870 23.058 0.000) 23.075 5.555 ( -8.328 -4.344 0.000) 9.393 5.714 ( -8.929 13.406 0.000) 16.107 5.776 ( -5.341 2.468 0.000) 5.884 6.062 ( -4.602 -20.108 0.000) 20.628 6.293 ( 6.149 -6.328 0.000) 8.823 6.558 ( -4.393 10.023 0.000) 10.944 6.662 ( 5.313 1.672 0.000) 5.570 6.667 ( 1.265 3.854 0.000) 4.056 6.868 ( 7.400 1.680 0.000) 7.589 6.970 ( -6.634 6.089 0.000) 9.005 7.120 ( 3.458 2.624 0.000) 4.341 7.372 ( 2.973 -5.542 0.000) 6.289 7.559 ( -16.905 2.198 0.000) 17.048 7.844 ( -6.381 15.960 0.000) 17.188 8.167 ( -0.319 -10.661 0.000) 10.665 8.909 ( -3.444 -9.623 0.000) 10.220 8.998 ( 0.430 7.267 0.000) 7.280 9.121 ( -2.055 -21.524 0.000) 21.622 9.278 ( 2.919 1.418 0.000) 3.245 9.864 ( 3.360 -2.827 0.000) 4.391 9.871 ( 8.509 -4.774 0.000) 9.757 10.015 ( 5.027 -0.051 0.000) 5.028 10.240 ( 9.104 -2.336 0.000) 9.399 10.263 ( -5.742 -12.906 0.000) 14.126 10.679 ( 1.425 -5.399 0.000) 5.584 10.721 ( -4.650 -10.270 0.000) 11.274 10.942 ( -6.191 -6.269 0.000) 8.811 11.525 ( 3.174 -6.506 0.000) 7.239 13.204 ( -2.018 -3.184 0.000) 3.770 13.522 ( -0.805 5.002 0.000) 5.067 13.623 ( 0.644 2.053 0.000) 2.152 13.674 ( -0.003 -2.284 0.000) 2.284 15.127 ( -3.768 -1.466 0.000) 4.043 15.853 ( 3.517 0.135 0.000) 3.519 15.944 ( 0.745 2.799 0.000) 2.896 16.033 ( 1.078 0.973 0.000) 1.452 16.073 ( -3.978 1.845 0.000) 4.385 16.412 ( -0.185 7.562 0.000) 7.565 16.802 ( 5.208 3.887 0.000) 6.498 16.997 ( 3.895 6.462 0.000) 7.545 18.220 ( -1.804 3.030 0.000) 3.527 18.930 ( -3.713 2.379 0.000) 4.410 19.056 ( 7.614 5.325 0.000) 9.291 19.395 ( 0.491 -5.529 0.000) 5.551 22.843 ( 2.407 -8.936 0.000) 9.255 23.565 ( 15.577 -33.871 0.000) 37.281 26.641 ( -10.848 0.460 0.000) 10.858 26.687 ( -25.184 -5.522 0.000) 25.783 28.204 ( -7.932 1.015 0.000) 7.997 28.304 ( -8.499 2.325 0.000) 8.811 29.325 ( -0.631 5.410 0.000) 5.446 29.453 ( 2.724 -2.598 0.000) 3.764 30.104 ( 1.098 -0.480 0.000) 1.198 30.306 ( 5.133 -2.598 0.000) 5.753 31.895 ( -1.376 -0.044 0.000) 1.377 31.948 ( 0.034 2.107 0.000) 2.108 32.174 ( -0.521 -3.154 0.000) 3.197 32.278 ( -0.170 7.251 0.000) 7.253 33.459 ( -0.711 -12.575 0.000) 12.595 33.950 ( -4.099 15.793 0.000) 16.316 35.671 ( 18.367 1.445 0.000) 18.423 36.114 ( 13.090 -25.174 0.000) 28.374 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.000 17.726 0.000) 17.726 1.349 ( -0.000 33.386 0.000) 33.386 2.543 ( -0.000 23.563 0.000) 23.563 2.972 ( -0.000 26.421 0.000) 26.421 3.078 ( -0.000 31.764 0.000) 31.764 3.152 ( -0.000 8.425 0.000) 8.425 3.305 ( -0.000 14.216 0.000) 14.216 4.184 ( -0.000 7.811 0.000) 7.811 4.354 ( -0.000 6.017 0.000) 6.017 4.433 ( 0.000 -0.887 0.000) 0.887 4.548 ( -0.000 6.298 0.000) 6.298 4.598 ( -0.000 0.220 0.000) 0.220 4.692 ( -0.000 14.898 0.000) 14.898 5.021 ( 0.000 -0.032 0.000) 0.032 5.206 ( -0.000 8.873 0.000) 8.873 5.327 ( -0.000 15.779 0.000) 15.779 5.377 ( -0.000 6.562 0.000) 6.562 5.682 ( 0.000 -2.777 0.000) 2.777 5.819 ( 0.000 -18.100 0.000) 18.100 6.376 ( 0.000 -24.480 0.000) 24.480 6.406 ( 0.000 -3.271 0.000) 3.271 6.482 ( 0.000 -13.213 0.000) 13.213 6.578 ( -0.000 8.834 0.000) 8.834 6.782 ( -0.000 8.377 0.000) 8.377 6.805 ( 0.000 -5.096 0.000) 5.096 6.943 ( 0.000 -0.705 0.000) 0.705 7.192 ( 0.000 -14.668 0.000) 14.668 7.326 ( -0.000 8.015 0.000) 8.015 7.460 ( 0.000 -1.350 0.000) 1.350 7.568 ( -0.000 17.171 0.000) 17.171 8.283 ( 0.000 -7.461 0.000) 7.461 8.935 ( -0.000 1.993 0.000) 1.993 8.993 ( 0.000 -8.125 0.000) 8.125 9.287 ( -0.000 1.207 0.000) 1.207 9.403 ( 0.000 -23.522 0.000) 23.522 9.943 ( 0.000 -4.536 0.000) 4.536 10.031 ( 0.000 -4.826 0.000) 4.826 10.062 ( 0.000 -0.260 0.000) 0.260 10.336 ( 0.000 -8.820 0.000) 8.820 10.373 ( 0.000 -2.426 0.000) 2.426 10.758 ( 0.000 -3.532 0.000) 3.532 10.761 ( 0.000 -5.324 0.000) 5.324 10.947 ( 0.000 -4.505 0.000) 4.505 11.636 ( 0.000 -6.076 0.000) 6.076 13.225 ( 0.000 -2.797 0.000) 2.797 13.441 ( -0.000 6.359 0.000) 6.359 13.603 ( -0.000 2.061 0.000) 2.061 13.662 ( -0.000 4.539 0.000) 4.539 15.114 ( 0.000 -1.346 0.000) 1.346 15.882 ( -0.000 0.483 0.000) 0.483 15.950 ( 0.000 -3.013 0.000) 3.013 16.014 ( -0.000 1.251 0.000) 1.251 16.022 ( -0.000 2.046 0.000) 2.046 16.333 ( -0.000 3.128 0.000) 3.128 16.804 ( -0.000 3.031 0.000) 3.031 16.934 ( -0.000 8.972 0.000) 8.972 18.197 ( 0.000 -1.900 0.000) 1.900 18.870 ( -0.000 2.091 0.000) 2.091 19.087 ( -0.000 1.585 0.000) 1.585 19.478 ( 0.000 -6.270 0.000) 6.270 22.906 ( -0.000 3.231 0.000) 3.231 24.228 ( 0.000 -40.355 0.000) 40.355 26.451 ( -0.000 0.383 0.000) 0.383 26.538 ( -0.000 0.813 0.000) 0.813 28.114 ( -0.000 1.333 0.000) 1.333 28.206 ( -0.000 1.827 0.000) 1.827 29.253 ( -0.000 5.259 0.000) 5.259 29.521 ( 0.000 -4.286 0.000) 4.286 30.117 ( -0.000 0.119 0.000) 0.119 30.374 ( 0.000 -1.121 0.000) 1.121 31.886 ( 0.000 -0.368 0.000) 0.368 31.926 ( -0.000 1.208 0.000) 1.208 32.181 ( -0.000 7.250 0.000) 7.250 32.205 ( 0.000 -2.535 0.000) 2.535 33.606 ( 0.000 -11.783 0.000) 11.783 33.684 ( -0.000 20.721 0.000) 20.721 35.872 ( 0.000 -3.408 0.000) 3.408 36.577 ( 0.000 -28.312 0.000) 28.312 ======================= Grid point 30 (20/75) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 16.516 0.000 0.000) 16.516 3.096 ( -19.693 -0.000 0.000) 19.693 3.181 ( 15.484 0.000 0.000) 15.484 3.501 ( 2.255 0.000 0.000) 2.255 3.502 ( 7.583 0.000 0.000) 7.583 3.782 ( -7.973 -0.000 0.000) 7.973 4.026 ( 3.787 0.000 0.000) 3.787 4.236 ( -16.950 -0.000 0.000) 16.950 4.539 ( -41.267 -0.000 0.000) 41.267 4.545 ( -6.412 -0.000 0.000) 6.412 4.556 ( 2.406 0.000 0.000) 2.406 4.841 ( 3.673 0.000 0.000) 3.673 4.898 ( 18.842 0.000 0.000) 18.842 4.935 ( -18.731 -0.000 0.000) 18.731 5.206 ( 9.831 0.000 0.000) 9.831 5.509 ( 15.073 0.000 0.000) 15.073 5.769 ( 3.428 0.000 0.000) 3.428 6.014 ( 7.428 0.000 0.000) 7.428 6.281 ( 9.910 0.000 0.000) 9.910 6.392 ( 2.196 0.000 0.000) 2.196 6.425 ( 18.816 0.000 0.000) 18.816 6.520 ( -17.015 -0.000 0.000) 17.015 6.643 ( 3.642 0.000 0.000) 3.642 6.876 ( -4.947 -0.000 0.000) 4.947 6.895 ( -10.970 -0.000 0.000) 10.970 7.288 ( -0.928 -0.000 0.000) 0.928 7.803 ( 2.264 0.000 0.000) 2.264 7.818 ( -12.810 -0.000 0.000) 12.810 7.820 ( -15.637 -0.000 0.000) 15.637 7.970 ( -14.216 -0.000 0.000) 14.216 8.216 ( -2.928 -0.000 0.000) 2.928 8.593 ( -1.988 -0.000 0.000) 1.988 9.053 ( 1.731 0.000 0.000) 1.731 9.101 ( -7.073 -0.000 0.000) 7.073 9.381 ( -10.930 -0.000 0.000) 10.930 9.655 ( 3.710 0.000 0.000) 3.710 9.783 ( 13.577 0.000 0.000) 13.577 9.875 ( -1.167 -0.000 0.000) 1.167 9.892 ( -1.247 -0.000 0.000) 1.247 10.155 ( -11.177 -0.000 0.000) 11.177 10.254 ( 2.591 0.000 0.000) 2.591 10.380 ( 4.387 0.000 0.000) 4.387 10.949 ( -9.322 -0.000 0.000) 9.322 11.238 ( 1.161 0.000 0.000) 1.161 13.173 ( -2.505 -0.000 0.000) 2.505 13.436 ( 0.903 0.000 0.000) 0.903 13.589 ( 2.788 0.000 0.000) 2.788 13.640 ( 1.986 0.000 0.000) 1.986 15.344 ( -11.243 -0.000 0.000) 11.243 15.706 ( 3.269 0.000 0.000) 3.269 15.896 ( 3.028 0.000 0.000) 3.028 16.196 ( -0.372 -0.000 0.000) 0.372 16.325 ( -4.443 -0.000 0.000) 4.443 16.401 ( 10.787 0.000 0.000) 10.787 16.913 ( 3.896 0.000 0.000) 3.896 16.932 ( 4.540 0.000 0.000) 4.540 18.575 ( -4.319 -0.000 0.000) 4.319 19.117 ( 2.625 0.000 0.000) 2.625 19.258 ( -2.033 -0.000 0.000) 2.033 19.282 ( 7.068 0.000 0.000) 7.068 22.098 ( 5.486 0.000 0.000) 5.486 22.098 ( -3.871 -0.000 0.000) 3.871 27.209 ( -21.279 -0.000 0.000) 21.279 27.371 ( -27.451 -0.000 0.000) 27.451 28.395 ( 6.736 0.000 0.000) 6.736 28.897 ( -20.529 -0.000 0.000) 20.529 29.392 ( -6.692 -0.000 0.000) 6.692 29.656 ( -7.208 -0.000 0.000) 7.208 29.896 ( 12.991 0.000 0.000) 12.991 30.043 ( 2.856 0.000 0.000) 2.856 31.967 ( -2.616 -0.000 0.000) 2.616 32.065 ( -0.162 -0.000 0.000) 0.162 32.152 ( 0.246 0.000 0.000) 0.246 32.303 ( 1.211 0.000 0.000) 1.211 32.934 ( 7.520 0.000 0.000) 7.520 34.701 ( -18.475 -0.000 0.000) 18.475 34.762 ( 25.971 0.000 0.000) 25.971 35.149 ( 19.953 0.000 0.000) 19.953 ======================= Grid point 31 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -17.252 5.654 0.000) 18.155 3.076 ( -23.570 5.678 0.000) 24.244 3.095 ( 11.477 -21.746 0.000) 24.589 3.273 ( -19.941 13.194 0.000) 23.911 3.610 ( -7.741 6.094 0.000) 9.851 3.784 ( 9.355 -15.477 0.000) 18.085 3.890 ( -23.356 0.167 0.000) 23.357 3.983 ( -2.440 5.920 0.000) 6.403 4.247 ( -2.694 -20.081 0.000) 20.261 4.431 ( -5.175 -0.753 0.000) 5.230 4.578 ( 0.585 0.879 0.000) 1.055 4.645 ( -7.704 9.771 0.000) 12.443 4.896 ( 1.608 0.179 0.000) 1.618 5.136 ( 11.584 7.621 0.000) 13.866 5.309 ( 13.152 12.417 0.000) 18.088 5.690 ( 12.498 8.397 0.000) 15.057 5.869 ( 3.754 -1.766 0.000) 4.149 6.017 ( -8.737 4.553 0.000) 9.852 6.197 ( -6.359 7.388 0.000) 9.748 6.276 ( -8.921 -8.930 0.000) 12.622 6.452 ( -6.398 -7.304 0.000) 9.710 6.589 ( -16.705 10.736 0.000) 19.857 6.716 ( 6.327 1.475 0.000) 6.497 6.820 ( 21.520 -2.722 0.000) 21.691 6.866 ( 3.156 -1.072 0.000) 3.333 7.199 ( -6.029 3.029 0.000) 6.747 7.427 ( -10.517 11.606 0.000) 15.663 7.679 ( -13.877 -6.360 0.000) 15.265 7.694 ( -0.488 17.308 0.000) 17.315 7.893 ( -3.517 -3.518 0.000) 4.974 8.189 ( -6.507 -5.660 0.000) 8.624 8.555 ( -1.862 0.148 0.000) 1.868 8.959 ( -9.324 -0.634 0.000) 9.346 9.127 ( 1.917 -4.545 0.000) 4.932 9.248 ( -0.688 3.396 0.000) 3.465 9.707 ( 3.039 0.465 0.000) 3.074 9.850 ( 2.164 4.245 0.000) 4.765 9.907 ( -2.171 -5.338 0.000) 5.762 9.977 ( -3.485 -2.374 0.000) 4.216 10.005 ( 9.058 1.472 0.000) 9.177 10.339 ( -2.507 -9.504 0.000) 9.829 10.472 ( 3.984 -2.443 0.000) 4.673 10.831 ( -6.674 -2.675 0.000) 7.190 11.280 ( 2.243 -2.272 0.000) 3.193 13.142 ( -2.331 -1.419 0.000) 2.729 13.467 ( 0.015 -3.771 0.000) 3.771 13.621 ( 1.071 0.337 0.000) 1.123 13.660 ( 1.143 0.720 0.000) 1.350 15.185 ( -7.915 -0.423 0.000) 7.926 15.775 ( 4.687 -0.216 0.000) 4.692 15.972 ( 5.761 0.439 0.000) 5.777 16.171 ( -0.065 3.745 0.000) 3.746 16.229 ( -5.594 1.366 0.000) 5.758 16.558 ( 8.175 1.332 0.000) 8.283 16.932 ( 2.329 4.215 0.000) 4.816 17.003 ( 3.638 -0.663 0.000) 3.698 18.473 ( -4.516 3.381 0.000) 5.641 19.147 ( 2.556 0.913 0.000) 2.714 19.183 ( -2.799 5.571 0.000) 6.234 19.350 ( 4.563 4.556 0.000) 6.448 22.158 ( -0.659 -14.329 0.000) 14.344 22.308 ( 7.051 -15.953 0.000) 17.442 26.883 ( -17.285 -0.142 0.000) 17.286 26.942 ( -24.883 -1.995 0.000) 24.963 28.378 ( -6.729 0.591 0.000) 6.755 28.584 ( -15.833 0.873 0.000) 15.857 29.363 ( 2.154 -0.215 0.000) 2.164 29.534 ( -4.752 2.607 0.000) 5.420 30.073 ( 1.121 0.052 0.000) 1.122 30.086 ( 8.666 -1.493 0.000) 8.793 31.926 ( -2.222 -0.042 0.000) 2.223 32.071 ( -0.246 -1.559 0.000) 1.578 32.105 ( 0.740 5.994 0.000) 6.040 32.361 ( 0.095 -4.185 0.000) 4.186 33.068 ( 5.075 -3.882 0.000) 6.390 34.437 ( -10.343 3.968 0.000) 11.078 35.193 ( 19.539 -7.296 0.000) 20.857 35.450 ( 17.103 1.343 0.000) 17.156 ======================= Grid point 32 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -50.855 5.344 0.000) 51.135 2.384 ( -10.868 12.258 0.000) 16.382 3.046 ( 2.472 9.397 0.000) 9.717 3.349 ( -9.478 11.420 0.000) 14.841 3.534 ( -13.160 3.389 0.000) 13.589 3.599 ( 6.750 -26.323 0.000) 27.175 3.806 ( -4.223 11.632 0.000) 12.375 4.111 ( 6.669 -13.309 0.000) 14.887 4.373 ( -4.479 -0.571 0.000) 4.515 4.486 ( 0.295 1.401 0.000) 1.431 4.519 ( -2.139 0.694 0.000) 2.248 4.651 ( 3.802 -27.258 0.000) 27.522 4.864 ( -0.371 4.451 0.000) 4.467 5.110 ( 7.064 17.378 0.000) 18.759 5.414 ( 15.302 7.391 0.000) 16.993 5.496 ( -13.006 19.400 0.000) 23.356 5.739 ( -2.090 9.440 0.000) 9.669 5.938 ( -12.683 8.133 0.000) 15.066 6.067 ( 4.962 0.362 0.000) 4.975 6.188 ( -6.262 8.877 0.000) 10.863 6.316 ( -7.646 9.920 0.000) 12.525 6.383 ( -0.433 -11.287 0.000) 11.295 6.769 ( 5.105 4.265 0.000) 6.652 6.940 ( 4.347 1.203 0.000) 4.510 7.032 ( -4.564 9.308 0.000) 10.367 7.158 ( -6.603 8.298 0.000) 10.605 7.209 ( 19.127 -1.435 0.000) 19.180 7.419 ( -4.019 16.956 0.000) 17.426 7.536 ( -9.573 -1.650 0.000) 9.714 7.918 ( -0.978 -6.877 0.000) 6.946 8.081 ( -10.664 -0.045 0.000) 10.664 8.564 ( -1.531 -7.216 0.000) 7.377 8.857 ( -5.214 -3.872 0.000) 6.494 9.143 ( -1.151 0.678 0.000) 1.336 9.301 ( 5.514 0.673 0.000) 5.555 9.767 ( 4.081 -2.374 0.000) 4.721 9.824 ( -0.602 -0.130 0.000) 0.616 9.944 ( -4.916 -9.502 0.000) 10.698 10.013 ( 5.032 -0.532 0.000) 5.060 10.167 ( 7.202 -2.675 0.000) 7.683 10.405 ( -5.883 -12.375 0.000) 13.702 10.562 ( 2.237 -3.378 0.000) 4.051 10.792 ( -3.803 -4.618 0.000) 5.983 11.367 ( 2.049 -5.210 0.000) 5.598 13.132 ( -1.570 -2.150 0.000) 2.662 13.532 ( -0.205 -6.406 0.000) 6.409 13.612 ( -0.117 2.115 0.000) 2.119 13.664 ( 0.648 1.082 0.000) 1.261 15.095 ( -3.926 -0.982 0.000) 4.047 15.860 ( 5.140 0.291 0.000) 5.148 16.049 ( 4.376 2.005 0.000) 4.814 16.100 ( -0.454 5.865 0.000) 5.883 16.114 ( -5.651 1.265 0.000) 5.791 16.612 ( 3.428 6.094 0.000) 6.992 16.911 ( 2.094 4.043 0.000) 4.553 17.065 ( 2.406 -0.585 0.000) 2.476 18.358 ( -2.412 5.234 0.000) 5.763 19.046 ( -2.507 7.471 0.000) 7.880 19.185 ( 2.945 0.868 0.000) 3.070 19.341 ( 1.942 4.345 0.000) 4.759 22.400 ( 0.812 -21.396 0.000) 21.412 22.716 ( 6.537 -28.953 0.000) 29.682 26.610 ( -16.741 -1.399 0.000) 16.799 26.651 ( -9.975 0.274 0.000) 9.979 28.233 ( -7.409 1.037 0.000) 7.481 28.359 ( -8.693 1.745 0.000) 8.866 29.420 ( 3.028 -0.374 0.000) 3.051 29.439 ( -2.115 3.294 0.000) 3.915 30.088 ( 0.413 -0.558 0.000) 0.694 30.224 ( 4.417 -3.061 0.000) 5.374 31.896 ( -1.259 0.085 0.000) 1.262 32.043 ( 0.490 5.308 0.000) 5.331 32.095 ( -0.147 -2.662 0.000) 2.666 32.389 ( -0.054 0.040 0.000) 0.067 33.195 ( 1.933 -6.864 0.000) 7.131 34.244 ( -4.311 7.546 0.000) 8.690 35.590 ( 10.942 -14.696 0.000) 18.323 35.681 ( 11.202 -0.120 0.000) 11.203 ======================= Grid point 33 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.000 11.434 0.000) 11.434 2.075 ( -0.000 20.960 0.000) 20.960 3.053 ( 0.000 -6.724 0.000) 6.724 3.065 ( -0.000 16.257 0.000) 16.257 3.359 ( -0.000 7.192 0.000) 7.192 3.575 ( -0.000 18.603 0.000) 18.603 3.792 ( -0.000 10.843 0.000) 10.843 4.328 ( 0.000 -10.648 0.000) 10.648 4.370 ( 0.000 -3.130 0.000) 3.130 4.451 ( -0.000 3.001 0.000) 3.001 4.649 ( 0.000 -22.948 0.000) 22.948 4.764 ( -0.000 8.113 0.000) 8.113 4.973 ( -0.000 10.701 0.000) 10.701 5.044 ( 0.000 -16.881 0.000) 16.881 5.099 ( -0.000 15.430 0.000) 15.430 5.499 ( -0.000 12.079 0.000) 12.079 5.599 ( -0.000 10.191 0.000) 10.191 5.722 ( 0.000 -8.264 0.000) 8.264 5.836 ( -0.000 17.194 0.000) 17.194 6.001 ( -0.000 24.087 0.000) 24.087 6.291 ( 0.000 -5.814 0.000) 5.814 6.499 ( 0.000 -7.969 0.000) 7.969 6.764 ( -0.000 5.076 0.000) 5.076 6.837 ( -0.000 14.179 0.000) 14.179 6.958 ( -0.000 1.861 0.000) 1.861 6.999 ( -0.000 7.917 0.000) 7.917 7.178 ( -0.000 10.485 0.000) 10.485 7.421 ( 0.000 -1.445 0.000) 1.445 7.439 ( -0.000 1.316 0.000) 1.316 7.919 ( -0.000 7.607 0.000) 7.607 8.026 ( 0.000 -10.528 0.000) 10.528 8.701 ( 0.000 -15.894 0.000) 15.894 8.897 ( 0.000 -9.590 0.000) 9.590 9.095 ( -0.000 6.011 0.000) 6.011 9.326 ( -0.000 1.884 0.000) 1.884 9.844 ( 0.000 -2.881 0.000) 2.881 9.894 ( 0.000 -5.627 0.000) 5.627 10.016 ( 0.000 -13.251 0.000) 13.251 10.064 ( -0.000 0.387 0.000) 0.387 10.293 ( 0.000 -3.615 0.000) 3.615 10.505 ( 0.000 -13.923 0.000) 13.923 10.631 ( 0.000 -4.445 0.000) 4.445 10.820 ( 0.000 -5.071 0.000) 5.071 11.465 ( 0.000 -6.785 0.000) 6.785 13.149 ( 0.000 -2.764 0.000) 2.764 13.572 ( -0.000 3.753 0.000) 3.753 13.615 ( 0.000 -6.266 0.000) 6.266 13.652 ( -0.000 1.624 0.000) 1.624 15.077 ( 0.000 -1.360 0.000) 1.360 15.907 ( -0.000 1.246 0.000) 1.246 16.003 ( -0.000 6.136 0.000) 6.136 16.041 ( -0.000 0.769 0.000) 0.769 16.073 ( -0.000 1.821 0.000) 1.821 16.531 ( -0.000 9.571 0.000) 9.571 16.890 ( -0.000 3.323 0.000) 3.323 17.081 ( -0.000 2.007 0.000) 2.007 18.265 ( -0.000 5.828 0.000) 5.828 18.942 ( -0.000 4.742 0.000) 4.742 19.186 ( -0.000 4.652 0.000) 4.652 19.339 ( 0.000 -2.727 0.000) 2.727 22.678 ( 0.000 -19.045 0.000) 19.045 23.214 ( 0.000 -37.427 0.000) 37.427 26.461 ( -0.000 0.312 0.000) 0.312 26.558 ( -0.000 0.692 0.000) 0.692 28.150 ( -0.000 1.370 0.000) 1.370 28.260 ( -0.000 2.175 0.000) 2.175 29.376 ( -0.000 4.089 0.000) 4.089 29.455 ( 0.000 -1.111 0.000) 1.111 30.102 ( 0.000 -0.924 0.000) 0.924 30.306 ( 0.000 -3.633 0.000) 3.633 31.884 ( -0.000 0.112 0.000) 0.112 31.988 ( -0.000 3.894 0.000) 3.894 32.131 ( 0.000 -3.069 0.000) 3.069 32.357 ( -0.000 4.697 0.000) 4.697 33.314 ( 0.000 -9.781 0.000) 9.781 34.089 ( -0.000 11.382 0.000) 11.382 35.800 ( 0.000 -2.152 0.000) 2.152 35.918 ( 0.000 -21.547 0.000) 21.547 ======================= Grid point 40 (24/75) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -46.580 -0.000 0.000) 46.580 2.544 ( -9.938 -0.000 0.000) 9.938 3.095 ( 6.323 0.000 0.000) 6.323 3.531 ( 3.601 0.000 0.000) 3.601 3.533 ( -17.230 -0.000 0.000) 17.230 3.552 ( -4.214 -0.000 0.000) 4.214 3.678 ( 3.156 0.000 0.000) 3.156 3.944 ( -5.501 -0.000 0.000) 5.501 4.101 ( 2.347 0.000 0.000) 2.347 4.328 ( -4.517 -0.000 0.000) 4.517 4.578 ( -1.213 -0.000 0.000) 1.213 4.613 ( -3.417 -0.000 0.000) 3.417 4.931 ( 1.475 0.000 0.000) 1.475 5.376 ( 8.422 0.000 0.000) 8.422 5.630 ( 12.713 0.000 0.000) 12.713 5.806 ( -14.126 -0.000 0.000) 14.126 5.934 ( -1.267 -0.000 0.000) 1.267 5.961 ( 9.840 0.000 0.000) 9.840 6.132 ( -6.959 -0.000 0.000) 6.959 6.165 ( 5.987 0.000 0.000) 5.987 6.233 ( -8.908 -0.000 0.000) 8.908 6.408 ( -12.216 -0.000 0.000) 12.216 6.836 ( 5.355 0.000 0.000) 5.355 6.925 ( 5.322 0.000 0.000) 5.322 7.073 ( -7.152 -0.000 0.000) 7.152 7.188 ( 19.993 0.000 0.000) 19.993 7.292 ( -12.935 -0.000 0.000) 12.935 7.540 ( -0.888 -0.000 0.000) 0.888 7.799 ( -2.420 -0.000 0.000) 2.420 7.844 ( -1.045 -0.000 0.000) 1.045 7.980 ( -11.456 -0.000 0.000) 11.456 8.539 ( -0.730 -0.000 0.000) 0.730 8.809 ( -6.850 -0.000 0.000) 6.850 9.088 ( -1.285 -0.000 0.000) 1.285 9.327 ( 5.568 0.000 0.000) 5.568 9.741 ( 1.168 0.000 0.000) 1.168 9.832 ( -3.042 -0.000 0.000) 3.042 9.840 ( -5.110 -0.000 0.000) 5.110 9.980 ( 6.724 0.000 0.000) 6.724 10.145 ( 5.893 0.000 0.000) 5.893 10.217 ( -5.236 -0.000 0.000) 5.236 10.518 ( 2.720 0.000 0.000) 2.720 10.729 ( -3.404 -0.000 0.000) 3.404 11.294 ( 1.411 0.000 0.000) 1.411 13.104 ( -1.241 -0.000 0.000) 1.241 13.438 ( -0.335 -0.000 0.000) 0.335 13.637 ( 0.460 0.000 0.000) 0.460 13.678 ( 0.492 0.000 0.000) 0.492 15.081 ( -4.052 -0.000 0.000) 4.052 15.864 ( 5.731 0.000 0.000) 5.731 16.069 ( 4.724 0.000 0.000) 4.724 16.131 ( -6.440 -0.000 0.000) 6.440 16.203 ( 0.310 0.000 0.000) 0.310 16.690 ( 5.675 0.000 0.000) 5.675 16.970 ( -0.242 -0.000 0.000) 0.242 17.039 ( 1.632 0.000 0.000) 1.632 18.421 ( -3.450 -0.000 0.000) 3.450 19.168 ( 0.664 0.000 0.000) 0.664 19.196 ( -1.163 -0.000 0.000) 1.163 19.451 ( 2.775 0.000 0.000) 2.775 22.057 ( 0.149 0.000 0.000) 0.149 22.302 ( 4.743 0.000 0.000) 4.743 26.594 ( -14.727 -0.000 0.000) 14.727 26.655 ( -9.633 -0.000 0.000) 9.633 28.247 ( -7.395 -0.000 0.000) 7.395 28.383 ( -8.578 -0.000 0.000) 8.578 29.417 ( 3.181 0.000 0.000) 3.181 29.483 ( -2.834 -0.000 0.000) 2.834 30.081 ( 0.102 0.000 0.000) 0.102 30.181 ( 4.096 0.000 0.000) 4.096 31.898 ( -1.096 -0.000 0.000) 1.096 32.058 ( -0.104 -0.000 0.000) 0.104 32.159 ( 0.131 0.000 0.000) 0.131 32.331 ( 0.428 0.000 0.000) 0.428 33.117 ( 2.985 0.000 0.000) 2.985 34.340 ( -4.497 -0.000 0.000) 4.497 35.399 ( 10.480 0.000 0.000) 10.480 35.678 ( 9.377 0.000 0.000) 9.377 ======================= Grid point 42 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.000 4.129 0.000) 4.129 2.416 ( -0.000 6.639 0.000) 6.639 3.276 ( -0.000 22.597 0.000) 22.597 3.305 ( 0.000 -22.847 0.000) 22.847 3.344 ( -0.000 5.391 0.000) 5.391 3.496 ( -0.000 3.097 0.000) 3.097 3.863 ( -0.000 4.568 0.000) 4.568 3.980 ( 0.000 -18.773 0.000) 18.773 4.272 ( 0.000 -25.108 0.000) 25.108 4.301 ( 0.000 -1.773 0.000) 1.773 4.542 ( -0.000 3.123 0.000) 3.123 4.550 ( -0.000 5.087 0.000) 5.087 4.923 ( -0.000 3.224 0.000) 3.224 5.415 ( -0.000 7.661 0.000) 7.661 5.539 ( -0.000 16.952 0.000) 16.952 5.731 ( -0.000 4.994 0.000) 4.994 5.848 ( -0.000 8.351 0.000) 8.351 5.896 ( -0.000 15.122 0.000) 15.122 6.116 ( 0.000 -7.244 0.000) 7.244 6.220 ( -0.000 9.485 0.000) 9.485 6.261 ( 0.000 -7.397 0.000) 7.397 6.287 ( 0.000 -4.922 0.000) 4.922 6.862 ( -0.000 3.007 0.000) 3.007 6.983 ( 0.000 -0.658 0.000) 0.658 7.021 ( 0.000 -0.891 0.000) 0.891 7.149 ( -0.000 3.250 0.000) 3.250 7.400 ( 0.000 -0.184 0.000) 0.184 7.508 ( -0.000 3.931 0.000) 3.931 7.627 ( -0.000 17.749 0.000) 17.749 7.850 ( 0.000 -2.627 0.000) 2.627 7.901 ( 0.000 -5.445 0.000) 5.445 8.527 ( -0.000 0.524 0.000) 0.524 8.765 ( 0.000 -2.461 0.000) 2.461 9.103 ( 0.000 -3.533 0.000) 3.533 9.375 ( -0.000 1.471 0.000) 1.471 9.771 ( 0.000 -3.153 0.000) 3.153 9.801 ( 0.000 -0.657 0.000) 0.657 9.813 ( 0.000 -2.415 0.000) 2.415 10.079 ( -0.000 0.639 0.000) 0.639 10.182 ( 0.000 -8.493 0.000) 8.493 10.210 ( 0.000 -2.229 0.000) 2.229 10.551 ( 0.000 -1.608 0.000) 1.608 10.717 ( 0.000 -2.404 0.000) 2.404 11.328 ( 0.000 -3.172 0.000) 3.172 13.100 ( 0.000 -0.965 0.000) 0.965 13.461 ( 0.000 -3.962 0.000) 3.962 13.634 ( -0.000 1.162 0.000) 1.162 13.679 ( -0.000 0.473 0.000) 0.473 15.051 ( 0.000 -0.583 0.000) 0.583 15.931 ( -0.000 0.488 0.000) 0.488 16.053 ( -0.000 0.251 0.000) 0.251 16.107 ( -0.000 0.722 0.000) 0.722 16.172 ( -0.000 4.932 0.000) 4.932 16.716 ( -0.000 3.991 0.000) 3.991 16.955 ( -0.000 1.452 0.000) 1.452 17.065 ( 0.000 -1.713 0.000) 1.713 18.379 ( -0.000 1.936 0.000) 1.936 19.132 ( -0.000 7.537 0.000) 7.537 19.184 ( 0.000 -1.663 0.000) 1.663 19.438 ( -0.000 5.363 0.000) 5.363 22.161 ( 0.000 -15.149 0.000) 15.149 22.460 ( 0.000 -17.763 0.000) 17.763 26.466 ( -0.000 0.116 0.000) 0.116 26.571 ( -0.000 0.264 0.000) 0.264 28.176 ( -0.000 0.595 0.000) 0.595 28.304 ( -0.000 1.021 0.000) 1.021 29.446 ( -0.000 0.002 0.000) 0.002 29.449 ( -0.000 1.489 0.000) 1.489 30.083 ( 0.000 -0.392 0.000) 0.392 30.227 ( 0.000 -1.903 0.000) 1.903 31.888 ( -0.000 0.141 0.000) 0.141 32.067 ( 0.000 -1.525 0.000) 1.525 32.118 ( -0.000 5.337 0.000) 5.337 32.364 ( 0.000 -3.242 0.000) 3.242 33.157 ( 0.000 -2.517 0.000) 2.517 34.280 ( -0.000 3.707 0.000) 3.707 35.537 ( 0.000 -7.719 0.000) 7.719 35.763 ( 0.000 -0.754 0.000) 0.754 ======================= Grid point 83 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 0.000 35.687) 35.687 0.787 ( 0.000 0.000 35.437) 35.437 1.643 ( 0.000 0.000 -3.715) 3.715 1.855 ( 0.000 0.000 85.392) 85.392 2.047 ( 0.000 0.000 -21.543) 21.543 2.114 ( 0.000 0.000 2.585) 2.585 2.637 ( 0.000 0.000 -19.707) 19.707 4.050 ( 0.000 0.000 2.043) 2.043 4.121 ( 0.000 0.000 -1.011) 1.011 4.143 ( 0.000 0.000 -0.861) 0.861 4.565 ( 0.000 0.000 -20.147) 20.147 4.617 ( 0.000 0.000 7.812) 7.812 4.913 ( 0.000 0.000 -39.575) 39.575 5.076 ( 0.000 0.000 -1.924) 1.924 5.115 ( 0.000 0.000 -11.033) 11.033 5.253 ( 0.000 0.000 29.859) 29.859 5.288 ( 0.000 0.000 17.886) 17.886 5.632 ( 0.000 0.000 11.884) 11.884 5.874 ( 0.000 0.000 0.797) 0.797 6.213 ( 0.000 0.000 -21.783) 21.783 6.263 ( 0.000 0.000 -6.239) 6.239 6.325 ( 0.000 0.000 3.581) 3.581 6.469 ( 0.000 0.000 -2.115) 2.115 6.764 ( 0.000 0.000 20.289) 20.289 7.053 ( 0.000 0.000 -15.206) 15.206 7.179 ( 0.000 0.000 5.945) 5.945 7.206 ( 0.000 0.000 12.657) 12.657 7.478 ( 0.000 0.000 -1.609) 1.609 7.627 ( 0.000 0.000 -5.493) 5.493 7.787 ( 0.000 0.000 -13.508) 13.508 8.528 ( 0.000 0.000 -11.330) 11.330 8.970 ( 0.000 0.000 -10.711) 10.711 9.343 ( 0.000 0.000 8.004) 8.004 9.490 ( 0.000 0.000 9.645) 9.645 9.774 ( 0.000 0.000 -4.530) 4.530 9.853 ( 0.000 0.000 -12.793) 12.793 10.184 ( 0.000 0.000 4.469) 4.469 10.302 ( 0.000 0.000 7.388) 7.388 10.388 ( 0.000 0.000 -2.564) 2.564 10.688 ( 0.000 0.000 -12.798) 12.798 10.737 ( 0.000 0.000 29.793) 29.793 11.314 ( 0.000 0.000 13.570) 13.570 11.634 ( 0.000 0.000 -8.875) 8.875 11.739 ( 0.000 0.000 -5.517) 5.517 13.164 ( 0.000 0.000 1.250) 1.250 13.203 ( 0.000 0.000 0.003) 0.003 13.353 ( 0.000 0.000 0.595) 0.595 13.473 ( 0.000 0.000 -4.238) 4.238 15.212 ( 0.000 0.000 5.720) 5.720 15.652 ( 0.000 0.000 -14.119) 14.119 15.920 ( 0.000 0.000 3.457) 3.457 16.214 ( 0.000 0.000 -8.958) 8.958 16.266 ( 0.000 0.000 13.413) 13.413 16.558 ( 0.000 0.000 2.750) 2.750 16.594 ( 0.000 0.000 2.972) 2.972 16.673 ( 0.000 0.000 -5.182) 5.182 18.589 ( 0.000 0.000 1.223) 1.223 18.725 ( 0.000 0.000 -3.078) 3.078 18.729 ( 0.000 0.000 7.477) 7.477 19.061 ( 0.000 0.000 -5.656) 5.656 23.718 ( 0.000 0.000 2.168) 2.168 23.833 ( 0.000 0.000 -2.122) 2.122 26.450 ( 0.000 0.000 0.947) 0.947 26.502 ( 0.000 0.000 -1.008) 1.008 28.089 ( 0.000 0.000 1.142) 1.142 28.149 ( 0.000 0.000 -1.083) 1.083 29.193 ( 0.000 0.000 2.933) 2.933 29.375 ( 0.000 0.000 -4.087) 4.087 30.103 ( 0.000 0.000 3.802) 3.802 30.271 ( 0.000 0.000 -2.693) 2.693 31.954 ( 0.000 0.000 0.528) 0.528 31.999 ( 0.000 0.000 -1.287) 1.287 32.193 ( 0.000 0.000 2.607) 2.607 32.326 ( 0.000 0.000 -2.866) 2.866 32.476 ( 0.000 0.000 3.009) 3.009 32.599 ( 0.000 0.000 -1.937) 1.937 37.542 ( 0.000 0.000 0.636) 0.636 37.574 ( 0.000 0.000 -0.588) 0.588 ======================= Grid point 84 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 15.385 -19.954 26.546) 36.600 1.444 ( 43.641 -14.428 21.671) 50.816 1.951 ( 22.870 -9.498 -1.134) 24.790 2.122 ( 14.491 -14.040 26.357) 33.193 2.195 ( 11.050 -14.558 -2.010) 18.388 2.388 ( 28.027 -8.452 24.947) 38.462 2.822 ( 19.344 -2.520 -19.356) 27.481 4.122 ( -1.762 -6.083 -1.826) 6.591 4.169 ( 4.898 -4.223 -0.182) 6.469 4.236 ( 7.158 -7.256 -1.353) 10.282 4.488 ( -2.291 6.132 -19.554) 20.621 4.625 ( 2.839 1.054 -1.479) 3.371 4.848 ( -0.165 10.070 -12.071) 15.721 5.053 ( -5.064 8.048 19.570) 21.757 5.187 ( 6.341 -2.114 -7.408) 9.978 5.226 ( -1.710 -3.850 9.848) 10.712 5.342 ( 8.596 -1.549 -4.042) 9.624 5.613 ( -5.813 -3.655 23.998) 24.961 5.864 ( -0.391 -10.591 -14.138) 17.669 6.244 ( 0.707 4.059 -7.950) 8.954 6.304 ( 6.927 -0.424 -14.062) 15.681 6.451 ( 0.134 0.339 -4.774) 4.788 6.633 ( 15.930 1.753 -2.481) 16.217 6.827 ( 11.098 4.445 10.507) 15.916 7.155 ( -1.896 1.961 1.311) 3.027 7.180 ( -2.079 0.836 7.515) 7.841 7.216 ( 2.519 -3.063 -4.111) 5.712 7.385 ( 1.046 -0.765 -4.374) 4.562 7.591 ( 0.397 7.221 -1.482) 7.383 7.985 ( 3.012 -17.335 -17.276) 24.659 8.497 ( 4.451 8.795 -8.990) 13.341 8.998 ( -0.027 -4.809 -11.372) 12.347 9.308 ( -3.444 2.158 7.087) 8.170 9.397 ( 1.485 12.184 7.137) 14.198 9.582 ( -7.881 23.801 -2.368) 25.183 9.832 ( -2.729 -0.655 -11.640) 11.974 10.068 ( -16.055 -0.679 13.573) 21.034 10.174 ( -12.278 -1.277 6.605) 14.000 10.239 ( -2.452 -2.704 7.316) 8.176 10.645 ( -1.133 3.190 -12.013) 12.481 10.787 ( 6.399 3.056 22.732) 23.813 11.266 ( -3.295 2.253 12.784) 13.393 11.482 ( 5.097 20.797 1.987) 21.505 11.704 ( -2.766 1.348 -4.459) 5.417 13.226 ( 1.794 -4.509 0.093) 4.853 13.240 ( 1.424 -3.810 0.015) 4.068 13.380 ( 1.266 -3.780 1.883) 4.409 13.481 ( -5.431 -8.377 2.398) 10.267 15.295 ( 8.562 3.235 0.072) 9.153 15.651 ( -0.516 -1.180 -13.780) 13.840 15.911 ( -0.125 1.097 3.377) 3.553 16.187 ( 0.658 5.115 -6.509) 8.304 16.249 ( -2.433 -0.938 11.396) 11.691 16.484 ( 1.916 7.058 -0.085) 7.314 16.573 ( 2.702 6.429 1.199) 7.076 16.654 ( -3.009 0.295 -4.102) 5.095 18.558 ( 2.220 10.376 1.956) 10.790 18.664 ( 1.098 -3.632 -4.638) 5.992 18.946 ( -7.254 -13.486 2.197) 15.470 19.163 ( 0.974 -16.218 -8.645) 18.404 22.911 ( -25.502 6.486 34.395) 43.306 23.818 ( -44.890 -30.152 -12.926) 55.600 26.650 ( 16.337 0.301 3.146) 16.640 27.345 ( 62.094 20.664 -44.162) 78.949 28.185 ( 8.812 -1.018 1.047) 8.932 28.283 ( 16.850 2.758 -3.181) 17.368 29.189 ( 2.352 2.230 5.360) 6.263 29.474 ( 1.827 -6.694 -10.733) 12.781 30.092 ( -2.153 -0.871 2.905) 3.719 30.226 ( -5.057 -0.509 -2.546) 5.685 31.946 ( 0.582 1.651 0.690) 1.882 31.983 ( 0.838 3.503 0.059) 3.603 32.079 ( 1.162 4.900 4.763) 6.931 32.300 ( 1.885 7.535 -5.299) 9.403 32.731 ( 5.274 -26.404 0.944) 26.943 32.986 ( 4.534 -35.982 -13.256) 38.613 36.382 ( -74.268 15.512 62.423) 98.250 37.248 ( -23.665 12.236 -3.814) 26.912 ======================= Grid point 85 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 20.981 -12.254 17.298) 29.826 2.298 ( 25.335 -23.627 14.649) 37.613 2.391 ( 15.270 -11.370 -6.659) 20.169 2.563 ( 18.641 -15.203 0.582) 24.062 2.731 ( 18.423 -20.321 2.322) 27.528 3.250 ( 41.978 -13.249 19.026) 47.955 3.272 ( 33.370 -3.704 -6.009) 34.108 4.136 ( -4.572 -6.411 -6.808) 10.409 4.282 ( -0.217 2.556 -12.766) 13.021 4.489 ( 8.526 -10.447 -1.751) 13.598 4.517 ( 8.119 -8.661 -3.456) 12.364 4.608 ( 1.222 14.004 7.316) 15.847 4.715 ( -0.218 7.099 5.934) 9.255 4.856 ( -3.260 -0.837 6.062) 6.934 5.232 ( -0.377 -1.844 10.374) 10.544 5.362 ( 8.031 -4.909 -4.096) 10.265 5.539 ( -2.311 1.066 20.623) 20.779 5.599 ( 11.822 -5.276 -12.584) 18.055 6.075 ( 6.266 -9.246 -14.385) 18.213 6.182 ( -2.652 1.116 -4.972) 5.745 6.427 ( 4.710 -2.546 -10.160) 11.485 6.459 ( 2.804 4.663 -13.504) 14.559 6.726 ( 1.276 0.109 5.008) 5.169 6.909 ( -11.932 5.503 -4.198) 13.795 6.993 ( 10.370 5.106 7.749) 13.917 7.042 ( -6.212 6.213 -1.679) 8.945 7.274 ( 2.340 -3.361 10.000) 10.806 7.421 ( 0.126 20.473 7.112) 21.673 7.657 ( 18.520 1.599 -10.874) 21.536 8.183 ( 9.204 -0.491 -4.255) 10.152 8.507 ( 3.457 -0.614 -6.123) 7.059 9.077 ( 0.570 3.233 -0.614) 3.339 9.103 ( -7.701 15.149 -6.256) 18.109 9.193 ( -0.835 6.295 -1.007) 6.430 9.302 ( -1.437 5.044 6.432) 8.299 9.736 ( -8.198 0.836 -7.898) 11.414 9.886 ( -10.618 -1.379 5.605) 12.085 9.977 ( -11.811 0.299 5.284) 12.943 10.222 ( -1.778 1.900 3.895) 4.684 10.589 ( -0.310 3.082 -12.935) 13.300 10.775 ( -2.641 5.274 15.590) 16.668 11.160 ( -6.456 2.466 3.984) 7.977 11.330 ( -0.959 6.813 8.036) 10.578 11.616 ( -4.979 2.017 -1.115) 5.487 13.309 ( 1.719 -4.309 0.272) 4.647 13.333 ( 3.182 -3.790 -0.404) 4.965 13.481 ( 0.153 -7.432 3.326) 8.143 13.511 ( -1.685 -6.770 3.727) 7.910 15.391 ( 9.455 4.532 0.417) 10.494 15.673 ( 1.331 -1.380 -11.376) 11.537 15.886 ( -1.416 1.079 2.864) 3.373 16.128 ( 2.535 7.237 -5.834) 9.634 16.219 ( -3.865 -2.540 10.387) 11.370 16.462 ( 3.291 4.234 -2.357) 5.858 16.521 ( -1.323 4.776 -2.470) 5.537 16.581 ( -4.048 0.050 -2.524) 4.771 18.490 ( 4.279 8.780 3.593) 10.407 18.691 ( -1.853 -1.102 -4.384) 4.885 18.976 ( -0.520 -4.939 5.413) 7.346 19.320 ( -1.381 -7.492 -9.476) 12.159 22.694 ( -13.504 -14.826 18.936) 27.581 23.405 ( -34.034 -13.797 -10.272) 38.134 26.985 ( 23.979 1.612 7.526) 25.184 27.778 ( 30.246 21.159 -25.631) 44.939 28.347 ( 7.092 -2.949 0.414) 7.692 28.525 ( 16.273 6.595 -7.649) 19.153 29.222 ( 5.018 2.214 6.854) 8.779 29.526 ( 2.723 3.393 -7.863) 8.987 30.047 ( -4.967 -1.183 1.202) 5.245 30.123 ( -9.649 -2.095 -2.558) 10.200 31.944 ( 1.309 0.901 0.872) 1.813 31.966 ( 1.375 1.774 0.544) 2.309 32.080 ( 1.238 -0.437 1.702) 2.150 32.264 ( 2.961 5.107 -5.695) 8.203 33.195 ( 8.748 -26.421 1.004) 27.850 33.476 ( 7.216 -24.317 -13.285) 28.633 35.310 ( -45.514 0.167 54.477) 70.988 36.548 ( -34.394 17.201 -10.111) 39.763 ======================= Grid point 86 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 22.000 -14.030 1.264) 26.123 2.639 ( 7.043 -8.078 -10.303) 14.867 3.015 ( 18.764 -16.300 5.720) 25.505 3.043 ( 17.429 -14.152 11.822) 25.374 3.196 ( 13.793 -3.954 -2.345) 14.539 3.677 ( 13.023 -9.931 -10.875) 19.659 3.899 ( 1.344 -1.031 -0.567) 1.787 4.140 ( -0.304 -1.428 -1.737) 2.269 4.354 ( 2.712 9.414 10.059) 14.041 4.411 ( 4.618 -3.191 7.686) 9.517 4.639 ( 11.956 -0.382 7.031) 13.876 4.809 ( 8.535 -14.518 -0.291) 16.843 4.854 ( 7.830 -19.182 -0.913) 20.739 4.988 ( 11.209 0.356 -4.336) 12.023 5.317 ( 6.627 -4.552 13.692) 15.877 5.423 ( 2.386 5.080 15.771) 16.740 5.649 ( 7.531 -8.278 -5.888) 12.646 5.828 ( 5.491 -5.389 -7.615) 10.825 6.118 ( -3.209 1.683 -10.582) 11.185 6.213 ( 5.613 3.488 2.454) 7.050 6.295 ( -9.725 4.874 1.551) 10.988 6.538 ( -2.228 6.979 -7.572) 10.536 6.695 ( 1.515 -1.867 -9.515) 9.814 6.810 ( -5.481 3.400 0.067) 6.450 6.862 ( 3.340 -4.690 -10.795) 12.235 7.035 ( -0.532 20.908 8.849) 22.710 7.159 ( 2.167 11.164 0.596) 11.388 7.283 ( 3.858 4.600 9.227) 11.008 7.888 ( 13.453 1.578 -3.466) 13.982 8.385 ( 14.334 2.901 0.301) 14.628 8.577 ( 0.985 0.757 3.840) 4.036 8.759 ( -3.334 10.191 -10.832) 15.242 9.087 ( 1.721 3.483 -3.927) 5.524 9.199 ( -2.686 -3.402 -3.948) 5.863 9.234 ( -0.814 -0.985 4.367) 4.550 9.570 ( -8.238 3.817 -7.032) 11.484 9.691 ( -10.097 3.274 4.841) 11.666 9.782 ( -9.521 1.176 3.143) 10.095 10.154 ( -1.517 2.300 4.917) 5.636 10.567 ( 1.365 1.327 -12.964) 13.103 10.586 ( -8.937 7.302 10.831) 15.827 10.972 ( -11.357 2.231 -5.197) 12.687 11.297 ( 0.997 -0.005 10.216) 10.265 11.502 ( -5.451 1.621 2.019) 6.035 13.388 ( 1.569 -3.543 0.977) 3.996 13.428 ( 2.630 -2.436 0.959) 3.711 13.539 ( -0.162 -4.624 2.577) 5.296 13.600 ( -0.060 -6.007 1.083) 6.104 15.506 ( 10.111 3.154 1.289) 10.669 15.734 ( 5.254 0.199 -7.565) 9.213 15.834 ( -3.495 0.620 3.026) 4.665 16.088 ( 0.431 4.046 -6.769) 7.898 16.185 ( -3.170 -1.965 8.550) 9.328 16.395 ( -8.608 0.323 -1.413) 8.729 16.475 ( 4.439 3.956 -2.081) 6.300 16.543 ( -1.100 0.082 -3.325) 3.503 18.475 ( 5.460 6.372 5.199) 9.871 18.644 ( -4.074 -0.060 0.457) 4.100 19.062 ( 4.317 -2.748 0.760) 5.174 19.330 ( -2.614 -0.427 -8.068) 8.491 22.717 ( -7.156 -13.790 8.611) 17.763 23.086 ( -20.317 -7.321 -5.655) 22.324 27.374 ( 25.238 3.105 8.046) 26.671 27.929 ( 13.568 11.882 -10.235) 20.737 28.487 ( 3.279 -4.755 -3.104) 6.557 28.634 ( 5.914 4.960 -7.738) 10.929 29.306 ( 9.334 2.894 6.725) 11.863 29.540 ( 7.472 5.692 -3.609) 10.062 29.949 ( -12.421 -1.268 -0.717) 12.506 29.953 ( -9.685 -1.608 -0.543) 9.833 31.960 ( 1.117 0.047 1.232) 1.664 31.976 ( 1.197 0.545 0.386) 1.371 32.119 ( 0.837 -2.851 -0.761) 3.068 32.252 ( 2.633 4.669 -5.703) 7.826 33.654 ( 8.413 -21.026 1.090) 22.673 33.882 ( 14.810 -12.836 -5.534) 20.365 34.729 ( -27.669 -1.755 33.279) 43.314 35.747 ( -33.956 16.635 -11.515) 39.527 ======================= Grid point 87 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 12.509 -15.043 -13.772) 23.926 2.810 ( 4.572 -1.038 -13.593) 14.379 3.199 ( 6.304 8.114 3.022) 10.710 3.304 ( -2.866 1.504 -2.697) 4.213 3.528 ( 13.031 -10.986 8.687) 19.130 3.735 ( -1.839 -2.702 11.257) 11.722 4.016 ( -5.792 0.777 7.967) 9.881 4.127 ( 7.800 -7.783 -9.347) 14.449 4.192 ( -5.245 5.440 5.954) 9.620 4.358 ( -5.639 2.269 -5.479) 8.184 5.026 ( 11.069 -1.743 6.571) 12.990 5.063 ( 4.088 -2.098 4.882) 6.704 5.214 ( 6.933 -19.118 0.443) 20.341 5.262 ( 6.731 -18.073 1.086) 19.317 5.416 ( 10.405 12.281 8.999) 18.441 5.551 ( 7.349 -0.888 8.389) 11.188 5.743 ( -2.039 1.531 -5.376) 5.950 5.850 ( -10.190 -0.329 0.271) 10.199 6.037 ( 4.838 5.016 -8.261) 10.808 6.118 ( -6.839 -3.687 4.382) 8.921 6.328 ( 6.694 -7.894 3.752) 11.009 6.474 ( 3.120 0.696 -2.376) 3.982 6.607 ( -0.453 15.672 1.478) 15.748 6.635 ( -4.310 11.633 3.174) 12.805 6.719 ( -0.662 6.939 4.909) 8.526 6.863 ( -11.632 5.196 -5.861) 14.023 7.246 ( 9.167 -9.728 -10.828) 17.202 7.368 ( 3.459 1.404 1.378) 3.979 8.090 ( 7.495 -6.924 -0.650) 10.225 8.335 ( -3.221 15.602 -0.367) 15.935 8.624 ( 11.655 4.723 -6.082) 13.969 8.720 ( -7.285 -6.765 -14.128) 17.276 9.116 ( 2.774 -3.766 0.663) 4.725 9.191 ( 2.890 2.919 0.884) 4.201 9.244 ( -3.725 -3.740 0.542) 5.307 9.329 ( -9.062 7.525 -0.023) 11.779 9.590 ( 0.687 0.054 2.774) 2.859 9.650 ( -5.250 0.483 1.808) 5.574 10.161 ( 3.915 -1.771 7.116) 8.313 10.334 ( -9.592 6.063 8.752) 14.330 10.616 ( 5.215 -0.759 -11.587) 12.729 10.762 ( -9.814 1.921 -8.678) 13.241 11.335 ( 2.260 -1.272 6.822) 7.298 11.403 ( -3.988 1.324 4.327) 6.031 13.446 ( 0.710 -2.306 2.096) 3.196 13.466 ( 0.605 0.467 2.572) 2.683 13.604 ( 1.368 -2.970 -0.185) 3.275 13.638 ( -1.003 -1.282 -0.377) 1.671 15.637 ( 8.647 1.356 1.879) 8.952 15.751 ( -6.201 -0.483 2.092) 6.562 15.850 ( 9.919 1.951 -4.118) 10.916 15.998 ( -8.667 -0.650 -4.583) 9.826 16.190 ( 2.617 0.198 3.159) 4.107 16.263 ( -6.549 -0.364 1.002) 6.635 16.503 ( 4.101 3.159 -2.332) 5.678 16.526 ( -2.554 -1.889 -3.064) 4.413 18.507 ( 5.649 3.360 5.090) 8.313 18.571 ( -5.030 -0.876 3.416) 6.144 19.171 ( 4.712 -2.132 -3.022) 5.990 19.266 ( -3.654 1.659 -5.850) 7.094 22.788 ( -0.154 -6.948 2.750) 7.474 22.898 ( -8.849 -0.621 -1.433) 8.986 27.716 ( 19.797 3.426 5.699) 20.884 27.918 ( -5.361 1.290 0.155) 5.516 28.571 ( 0.860 -3.537 -6.040) 7.052 28.622 ( 0.305 3.678 -6.804) 7.740 29.473 ( 14.038 1.593 4.536) 14.839 29.642 ( 11.060 4.193 -2.442) 12.077 29.717 ( -14.960 -1.137 1.881) 15.121 29.807 ( -11.337 -2.084 -1.417) 11.613 31.976 ( 0.206 -0.739 1.328) 1.534 31.983 ( 0.676 0.859 1.046) 1.513 32.175 ( -0.148 -4.692 -3.315) 5.747 32.225 ( 1.496 5.013 -4.983) 7.225 33.997 ( 9.502 -10.679 7.447) 16.118 34.230 ( -0.147 0.398 11.558) 11.566 34.488 ( 5.930 -10.364 1.372) 12.019 35.023 ( -28.162 14.771 -9.168) 33.096 ======================= Grid point 93 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 25.202 0.000 21.311) 33.004 1.922 ( 26.828 0.000 44.278) 51.772 2.302 ( 15.253 0.000 -17.849) 23.478 2.330 ( 26.322 0.000 2.396) 26.431 2.445 ( 26.575 0.000 1.635) 26.625 3.102 ( 55.054 0.000 23.433) 59.833 3.248 ( 29.937 0.000 -15.592) 33.754 3.970 ( -7.613 -0.000 -10.992) 13.371 4.302 ( 12.083 0.000 1.530) 12.180 4.338 ( 8.451 0.000 -2.388) 8.782 4.500 ( 0.448 0.000 -15.569) 15.576 4.746 ( 8.930 0.000 2.467) 9.264 4.917 ( 0.254 0.000 -3.945) 3.954 4.990 ( -13.655 -0.000 15.952) 20.999 5.155 ( 0.678 0.000 15.618) 15.632 5.271 ( 4.377 0.000 -4.098) 5.996 5.509 ( -1.563 -0.000 15.994) 16.070 5.580 ( 19.250 0.000 -24.158) 30.890 5.782 ( 1.249 0.000 -8.323) 8.416 6.198 ( -5.821 -0.000 -7.561) 9.542 6.447 ( 7.653 0.000 -5.526) 9.440 6.613 ( 9.276 0.000 -8.374) 12.497 6.668 ( 0.440 0.000 17.915) 17.921 6.891 ( -19.150 -0.000 6.304) 20.161 7.000 ( -3.774 -0.000 8.524) 9.322 7.213 ( 1.316 0.000 3.857) 4.076 7.451 ( 17.953 0.000 -26.140) 31.711 7.585 ( 13.643 0.000 -10.560) 17.252 7.668 ( 4.872 0.000 -6.738) 8.315 7.940 ( 12.155 0.000 -8.330) 14.735 8.605 ( 0.936 0.000 -14.710) 14.740 8.955 ( -1.432 -0.000 -8.786) 8.902 9.249 ( -4.788 -0.000 7.804) 9.156 9.521 ( 1.237 0.000 6.310) 6.430 9.631 ( -11.706 -0.000 18.430) 21.833 9.674 ( -9.934 -0.000 -8.102) 12.820 9.776 ( -7.950 -0.000 7.403) 10.863 9.952 ( -12.274 -0.000 5.443) 13.427 10.245 ( 2.169 0.000 5.340) 5.763 10.623 ( -3.506 -0.000 -11.044) 11.587 10.860 ( -1.465 -0.000 22.307) 22.355 11.175 ( -9.735 -0.000 11.972) 15.431 11.544 ( -13.229 -0.000 -3.462) 13.674 11.602 ( -7.548 -0.000 -4.339) 8.706 13.235 ( 3.824 0.000 1.257) 4.025 13.241 ( 1.681 0.000 0.850) 1.884 13.366 ( 0.695 0.000 5.485) 5.529 13.411 ( 3.008 0.000 -0.085) 3.009 15.491 ( 10.185 0.000 -8.555) 13.301 15.615 ( -1.410 -0.000 -10.776) 10.868 15.920 ( -0.115 -0.000 4.227) 4.229 16.174 ( -4.186 -0.000 11.483) 12.222 16.245 ( 1.297 0.000 -9.843) 9.928 16.523 ( -4.981 -0.000 -4.077) 6.437 16.653 ( 0.798 0.000 3.716) 3.801 16.678 ( 3.930 0.000 3.869) 5.515 18.634 ( 1.795 0.000 1.338) 2.239 18.744 ( 3.651 0.000 -2.529) 4.441 18.796 ( 4.996 0.000 5.523) 7.448 19.099 ( 3.833 0.000 -7.413) 8.346 22.465 ( -22.071 -0.000 23.172) 32.001 23.067 ( -27.360 -0.000 -5.563) 27.919 27.009 ( 24.946 0.000 9.633) 26.741 28.116 ( 19.352 0.000 -30.258) 35.917 28.281 ( 1.669 0.000 3.394) 3.782 28.661 ( 12.694 0.000 -30.499) 33.035 29.425 ( 16.693 0.000 -12.877) 21.082 29.479 ( 8.142 0.000 -3.398) 8.823 30.031 ( -4.735 -0.000 1.851) 5.084 30.103 ( -9.467 -0.000 -0.994) 9.519 31.965 ( 0.466 0.000 0.806) 0.931 32.014 ( 0.665 0.000 -1.041) 1.235 32.186 ( -0.247 -0.000 2.793) 2.804 32.364 ( 1.404 0.000 -3.418) 3.695 32.646 ( 9.718 0.000 13.362) 16.522 32.917 ( 18.576 0.000 -2.679) 18.768 35.320 ( -49.032 -0.000 73.683) 88.506 36.785 ( -38.331 -0.000 -9.777) 39.558 ======================= Grid point 94 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 24.207 -11.882 12.170) 29.585 2.423 ( 21.098 -12.872 28.738) 37.904 2.599 ( 19.656 -2.033 -5.680) 20.561 2.790 ( 23.532 -5.333 4.567) 24.557 2.943 ( 25.959 -6.126 -0.592) 26.678 3.686 ( 18.558 -0.025 -9.680) 20.932 3.846 ( 18.008 -0.872 -3.907) 18.448 3.958 ( 3.492 -8.359 -18.431) 20.538 4.451 ( 15.139 5.162 1.280) 16.046 4.541 ( 10.653 -4.668 0.384) 11.638 4.614 ( 7.524 1.611 4.451) 8.889 4.681 ( -6.931 7.270 7.514) 12.544 4.742 ( -3.937 4.558 1.718) 6.263 5.014 ( 12.288 1.918 2.807) 12.749 5.214 ( 7.076 -1.332 9.350) 11.801 5.385 ( 3.801 -6.959 7.692) 11.047 5.540 ( 3.504 -0.834 5.555) 6.620 5.780 ( 8.558 2.692 -7.283) 11.556 6.057 ( 12.389 -16.031 -15.711) 25.638 6.103 ( -5.547 -0.305 -9.578) 11.072 6.439 ( -14.304 3.123 2.788) 14.904 6.481 ( -2.950 2.495 2.525) 4.615 6.691 ( 2.332 -1.752 11.648) 12.008 6.858 ( 0.816 2.571 -9.491) 9.867 6.902 ( -3.632 1.153 -3.146) 4.941 7.258 ( 2.380 -1.773 7.774) 8.321 7.453 ( 8.165 16.655 -7.951) 20.181 7.642 ( 3.249 10.413 -0.590) 10.924 7.933 ( 12.228 -3.684 -13.399) 18.511 8.267 ( 12.572 -9.556 -9.179) 18.265 8.553 ( -2.424 4.172 -10.486) 11.543 8.949 ( -4.432 -5.366 -5.318) 8.759 9.150 ( -4.031 4.019 7.372) 9.314 9.335 ( -3.888 14.949 7.228) 17.054 9.424 ( -0.097 10.542 6.857) 12.576 9.591 ( -4.634 -2.295 0.782) 5.230 9.713 ( -7.071 -1.730 -1.498) 7.432 9.785 ( -8.985 -2.212 3.380) 9.852 10.244 ( -0.683 4.236 4.002) 5.867 10.561 ( -4.446 -2.237 -8.427) 9.787 10.730 ( -10.102 3.872 14.927) 18.435 10.925 ( -20.267 -2.851 7.020) 21.637 11.325 ( -5.736 2.814 2.847) 6.995 11.481 ( -9.514 -2.497 -1.169) 9.906 13.282 ( 0.876 -2.855 1.548) 3.364 13.332 ( 3.472 -4.035 0.037) 5.323 13.431 ( 3.181 -3.503 3.664) 5.984 13.476 ( 3.022 -1.653 0.376) 3.465 15.580 ( 4.630 2.871 -4.811) 7.268 15.685 ( 5.154 -3.345 -9.235) 11.092 15.899 ( 0.177 2.845 4.838) 5.615 16.098 ( -6.675 -1.996 6.853) 9.772 16.247 ( 2.344 4.173 -7.240) 8.678 16.405 ( -8.621 -0.815 -3.079) 9.191 16.626 ( 4.818 9.320 3.223) 10.976 16.710 ( 4.678 5.880 2.232) 7.839 18.644 ( 1.113 2.957 1.431) 3.468 18.737 ( 5.669 8.888 0.090) 10.543 18.962 ( 5.700 -5.422 1.410) 7.992 19.221 ( 1.826 -6.766 -7.627) 10.358 22.294 ( -10.148 -13.276 11.596) 20.340 22.741 ( -22.499 -13.104 -6.359) 26.803 27.443 ( 27.157 1.760 11.691) 29.619 28.159 ( -5.011 5.932 -1.003) 7.830 28.334 ( -1.722 -4.994 -4.454) 6.910 28.780 ( 9.363 2.828 -31.288) 32.781 29.538 ( 13.375 11.831 -1.979) 17.966 29.668 ( 7.873 2.074 -7.554) 11.106 29.917 ( -12.256 0.156 0.435) 12.265 29.927 ( -8.138 -0.424 0.179) 8.151 31.969 ( 0.533 0.391 0.376) 0.760 32.010 ( 0.380 1.719 -0.761) 1.918 32.133 ( 1.556 4.618 4.791) 6.834 32.373 ( 1.899 3.381 -5.453) 6.691 32.990 ( 7.228 -23.960 16.476) 29.963 33.406 ( 21.270 -17.157 -5.083) 27.796 34.776 ( -17.865 2.382 42.874) 46.509 36.070 ( -39.194 7.187 -13.238) 41.989 ======================= Grid point 95 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 20.553 -9.544 0.214) 22.662 2.734 ( 9.871 -1.947 -5.853) 11.640 3.159 ( 23.771 -20.937 27.282) 41.806 3.232 ( 20.121 -4.247 2.956) 20.776 3.371 ( 13.645 -3.607 4.032) 14.678 3.750 ( -2.088 12.915 -16.537) 21.086 3.911 ( 0.908 -6.157 -13.517) 14.881 4.163 ( 7.295 -0.528 -8.505) 11.217 4.301 ( -11.438 7.143 3.416) 13.911 4.466 ( -3.802 7.438 3.903) 9.220 4.725 ( 1.581 -8.930 0.452) 9.080 4.776 ( 7.084 -9.071 -1.775) 11.646 5.045 ( 18.504 1.949 10.789) 21.508 5.143 ( 4.664 -0.597 3.319) 5.755 5.445 ( 14.535 -2.455 10.436) 18.061 5.564 ( 7.890 -1.330 9.253) 12.233 5.646 ( 6.562 -4.360 -2.952) 8.414 5.818 ( -5.579 -0.670 5.044) 7.551 5.995 ( -3.513 -2.924 -2.074) 5.020 6.194 ( -5.830 -0.926 5.216) 7.878 6.310 ( -0.746 3.749 1.216) 4.012 6.566 ( 5.169 -8.540 -10.112) 14.209 6.735 ( -5.326 4.211 -8.299) 10.723 6.756 ( 2.000 8.662 -11.337) 14.407 6.850 ( 3.149 -6.985 -5.712) 9.557 7.236 ( -3.125 8.351 2.936) 9.388 7.326 ( 0.936 19.631 -0.934) 19.675 7.531 ( 4.106 12.910 2.838) 13.841 8.075 ( 5.209 2.843 -3.498) 6.888 8.460 ( -7.853 -7.564 -19.710) 22.525 8.524 ( 3.844 -4.702 10.937) 12.510 8.840 ( -5.950 8.492 8.473) 13.391 9.083 ( -0.511 -1.707 -2.133) 2.780 9.176 ( -0.689 6.315 -2.778) 6.933 9.367 ( 7.613 8.157 2.363) 11.405 9.515 ( -4.982 5.265 -4.568) 8.568 9.611 ( -2.006 1.242 0.866) 2.514 9.667 ( -5.718 1.233 1.518) 6.043 10.149 ( -2.896 1.523 5.716) 6.587 10.470 ( -13.460 4.149 9.311) 16.885 10.546 ( -2.198 -4.421 -8.308) 9.664 10.686 ( -15.548 -7.698 -1.003) 17.379 11.260 ( -2.641 -2.117 4.909) 5.963 11.367 ( -8.030 -3.387 2.356) 9.028 13.333 ( -0.615 -4.381 2.552) 5.107 13.442 ( 2.756 -4.857 -1.506) 5.784 13.519 ( 2.840 -1.308 2.268) 3.863 13.553 ( 2.158 -3.401 0.801) 4.106 15.644 ( 5.022 -0.177 -0.240) 5.030 15.721 ( -5.749 -1.175 -1.198) 5.989 15.913 ( 3.511 2.438 -0.788) 4.346 16.004 ( -3.284 -0.386 -1.196) 3.516 16.227 ( 0.113 2.181 -1.510) 2.655 16.297 ( -2.060 1.915 -1.363) 3.125 16.594 ( 4.919 8.921 1.381) 10.281 16.704 ( 5.869 8.108 -0.310) 10.014 18.605 ( -0.724 3.853 3.645) 5.353 18.710 ( 6.315 10.455 1.477) 12.303 19.105 ( 4.895 -3.048 -1.361) 5.925 19.272 ( -1.966 -1.569 -6.541) 7.008 22.401 ( -3.598 -19.579 5.220) 20.580 22.636 ( -13.428 -16.592 -3.841) 21.688 27.819 ( 19.858 4.450 8.249) 21.959 27.942 ( -14.988 0.863 3.032) 15.316 28.292 ( -11.102 -9.729 -0.680) 14.777 28.912 ( 12.090 8.190 -27.597) 31.222 29.584 ( 6.000 5.556 4.861) 9.513 29.703 ( -9.964 1.859 1.643) 10.268 29.745 ( -0.613 1.313 -2.525) 2.911 29.788 ( -1.028 2.659 -0.768) 2.952 31.972 ( 0.010 0.376 0.001) 0.376 31.999 ( 0.310 0.338 -0.806) 0.928 32.121 ( 0.864 1.149 3.003) 3.329 32.354 ( 1.941 4.587 -5.455) 7.387 33.383 ( -0.387 -26.481 19.829) 33.085 33.987 ( 22.023 -16.383 -7.333) 28.411 34.587 ( 2.464 8.336 18.059) 20.042 35.360 ( -31.150 10.231 -11.015) 34.588 ======================= Grid point 96 (34/75) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 7.031 -4.242 -7.731) 11.279 2.951 ( 9.195 0.072 -13.038) 15.954 3.240 ( -9.971 7.657 6.917) 14.349 3.511 ( 7.152 17.409 -6.745) 19.993 3.634 ( 10.814 -2.397 2.900) 11.450 3.756 ( 6.897 -4.172 16.593) 18.447 3.988 ( -0.133 -2.550 11.109) 11.398 4.073 ( 5.066 -6.332 -14.433) 16.555 4.220 ( -3.064 8.369 3.893) 9.725 4.411 ( 4.891 1.923 -9.573) 10.920 4.876 ( -4.887 -15.646 2.775) 16.625 4.982 ( -8.846 -15.038 0.162) 17.447 5.099 ( -2.087 1.857 7.371) 7.883 5.217 ( 3.194 -2.828 6.908) 8.119 5.467 ( -12.343 -2.160 10.025) 16.048 5.519 ( -8.494 -1.668 11.675) 14.534 5.791 ( 2.742 2.030 -2.335) 4.134 5.892 ( 12.631 1.068 1.904) 12.818 6.040 ( 1.439 0.174 -0.327) 1.486 6.149 ( 2.677 4.095 -7.007) 8.546 6.381 ( 8.468 -2.459 -1.711) 8.983 6.506 ( -7.250 10.691 0.020) 12.917 6.586 ( -2.098 -3.282 -2.943) 4.882 6.702 ( -3.283 5.016 -3.480) 6.931 6.926 ( -0.571 14.175 -1.717) 14.290 6.975 ( -1.367 24.820 7.112) 25.855 7.192 ( 1.378 -9.513 -12.552) 15.810 7.445 ( -0.879 6.174 -1.745) 6.476 8.076 ( -1.950 -0.861 0.923) 2.323 8.367 ( -17.041 -4.866 -20.138) 26.825 8.470 ( -5.108 7.590 12.150) 15.210 8.785 ( 4.582 -3.469 4.077) 7.046 9.093 ( -2.871 -0.779 -1.805) 3.480 9.137 ( 2.057 -2.421 -2.439) 4.006 9.321 ( -5.106 7.991 1.547) 9.609 9.424 ( 9.207 7.277 -4.367) 12.521 9.602 ( -0.066 0.929 1.711) 1.948 9.636 ( 4.684 -0.493 0.755) 4.770 10.178 ( 2.935 -5.889 6.643) 9.350 10.224 ( -9.369 2.690 7.517) 12.309 10.566 ( -8.840 -4.898 -7.084) 12.342 10.625 ( 1.806 -8.107 -8.796) 12.098 11.256 ( -5.101 -5.622 4.694) 8.925 11.325 ( -1.821 -4.284 3.606) 5.889 13.367 ( -2.110 -4.388 4.020) 6.314 13.525 ( 2.263 -0.112 -1.244) 2.585 13.578 ( 1.537 -3.491 0.483) 3.845 13.612 ( 0.652 -1.775 0.147) 1.896 15.590 ( -10.644 -1.457 2.261) 10.979 15.739 ( 5.004 -0.962 2.669) 5.752 15.822 ( -7.269 -0.194 -3.588) 8.108 16.054 ( 3.433 2.149 -6.386) 7.562 16.218 ( 3.091 1.721 2.868) 4.554 16.304 ( 5.745 2.057 -0.006) 6.102 16.550 ( 3.134 8.721 1.275) 9.355 16.705 ( 6.753 8.417 -3.176) 11.248 18.519 ( -3.229 3.898 5.916) 7.786 18.696 ( 6.817 8.717 0.691) 11.088 19.193 ( -0.731 -1.492 -4.195) 4.512 19.229 ( -0.336 0.283 -3.695) 3.721 22.643 ( 2.974 -18.622 1.201) 18.896 22.687 ( -4.584 -13.917 -0.424) 14.658 27.647 ( -20.992 -1.963 4.339) 21.525 27.862 ( -12.284 -2.984 -2.932) 12.976 28.354 ( 5.398 -5.654 6.351) 10.072 28.907 ( 1.033 10.228 -14.572) 17.833 29.470 ( -9.538 0.798 0.898) 9.613 29.567 ( -11.888 -1.701 -2.052) 12.183 29.752 ( 12.591 2.194 4.281) 13.478 29.875 ( 9.138 3.143 -1.473) 9.775 31.961 ( -0.964 -0.196 0.205) 1.005 32.005 ( 0.250 0.265 0.136) 0.389 32.126 ( -0.490 -1.549 -0.269) 1.646 32.315 ( 0.999 5.498 -4.929) 7.452 33.627 ( -7.345 -21.868 20.446) 30.825 34.476 ( 5.600 -5.695 -12.182) 14.567 34.651 ( 18.454 6.212 4.072) 19.893 34.859 ( -3.166 7.443 -1.174) 8.173 ======================= Grid point 97 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -19.124 19.943 -5.321) 28.139 2.781 ( -0.401 -1.581 -15.381) 15.467 3.204 ( 6.410 10.752 3.181) 12.915 3.348 ( -6.548 11.018 -0.711) 12.837 3.488 ( -10.650 16.557 2.417) 19.834 3.811 ( 0.291 -4.788 -0.068) 4.798 3.969 ( -10.462 4.616 -8.545) 14.275 4.226 ( -3.707 2.274 12.404) 13.144 4.240 ( 8.221 5.435 11.399) 15.069 4.441 ( 5.058 -2.684 1.660) 5.962 4.667 ( -17.297 -4.037 4.114) 18.232 4.879 ( -12.316 -4.323 -0.282) 13.056 5.176 ( 0.041 -8.153 7.896) 11.350 5.275 ( -5.530 8.821 10.609) 14.864 5.331 ( -5.478 -1.683 4.262) 7.142 5.455 ( -3.270 3.082 2.363) 5.077 5.781 ( -0.469 1.979 -7.784) 8.045 5.884 ( -8.146 2.239 -4.885) 9.759 6.020 ( -4.467 4.150 -4.035) 7.311 6.081 ( 0.952 -6.462 -1.720) 6.754 6.339 ( -2.335 9.053 4.890) 10.551 6.425 ( -5.577 -0.235 2.173) 5.990 6.575 ( 3.616 11.277 3.571) 12.370 6.615 ( 6.279 -3.787 -3.942) 8.326 6.792 ( 6.888 1.501 6.320) 9.468 6.945 ( 2.271 -3.566 -1.242) 4.406 7.152 ( -9.328 2.936 -8.264) 12.804 7.356 ( -1.063 6.232 -2.817) 6.921 7.963 ( -16.394 4.498 -7.758) 18.686 8.159 ( -7.776 -9.277 -9.026) 15.100 8.344 ( -8.001 -4.831 6.456) 11.359 8.841 ( -0.719 2.493 -11.332) 11.625 9.103 ( 0.360 -0.104 4.642) 4.657 9.162 ( -2.549 2.158 3.610) 4.918 9.281 ( 4.133 -7.109 4.314) 9.286 9.468 ( 6.205 2.277 -7.013) 9.637 9.665 ( 9.399 1.200 2.671) 9.845 9.761 ( 9.074 -0.343 1.113) 9.148 10.116 ( -1.844 -0.770 5.541) 5.890 10.359 ( 4.709 -10.233 6.528) 13.020 10.507 ( -4.324 -3.328 -10.459) 11.797 10.796 ( 3.198 -10.697 -7.288) 13.333 11.236 ( -5.117 -5.222 6.952) 10.089 11.397 ( 1.743 -5.787 1.058) 6.136 13.372 ( -3.085 -3.128 4.985) 6.645 13.525 ( 0.591 3.375 -0.397) 3.449 13.610 ( -0.196 0.684 0.145) 0.726 13.654 ( 1.245 -2.312 -0.699) 2.718 15.431 ( -10.509 -2.154 3.972) 11.439 15.729 ( -3.840 0.042 -6.785) 7.796 15.825 ( 3.854 -0.621 2.512) 4.642 16.036 ( -2.167 0.343 -4.251) 4.784 16.254 ( 4.179 3.061 6.570) 8.366 16.412 ( 5.297 -0.012 -1.291) 5.452 16.490 ( 5.007 8.398 0.741) 9.805 16.707 ( 6.608 9.127 -6.206) 12.864 18.416 ( -4.077 1.929 7.329) 8.606 18.712 ( 5.895 5.713 -2.276) 8.519 19.114 ( -4.222 1.615 -0.395) 4.537 19.287 ( 2.113 -2.577 -5.586) 6.505 22.810 ( 2.605 -7.439 3.880) 8.785 22.980 ( 11.603 -15.096 -2.524) 19.206 27.301 ( -23.525 -2.478 4.798) 24.137 27.617 ( -25.946 -10.872 -7.213) 29.041 28.465 ( 0.065 -1.437 4.663) 4.880 28.716 ( -10.304 5.607 -3.831) 12.340 29.342 ( -2.123 4.174 0.794) 4.750 29.431 ( -6.485 -2.668 -2.040) 7.303 29.963 ( 12.404 -0.287 -0.054) 12.407 29.986 ( 7.406 1.115 -0.545) 7.509 31.946 ( -1.597 -0.837 0.570) 1.891 31.993 ( -0.212 1.461 1.629) 2.198 32.142 ( -1.526 -3.432 -3.600) 5.203 32.248 ( -0.010 6.217 -4.044) 7.417 33.711 ( -8.088 -12.264 12.963) 19.592 34.207 ( -14.671 11.795 -6.210) 19.822 34.904 ( 27.251 8.996 8.919) 30.052 35.310 ( 27.912 -15.731 -6.134) 32.621 ======================= Grid point 98 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -20.746 20.195 8.203) 30.092 2.703 ( -4.658 10.267 -14.386) 18.277 2.901 ( -26.109 20.660 3.430) 33.470 2.992 ( -15.661 15.424 -2.388) 22.110 3.105 ( -6.178 15.174 -1.778) 16.480 3.383 ( -26.895 7.912 -6.494) 28.777 3.786 ( -25.458 3.981 19.942) 32.583 4.148 ( 12.802 -0.272 2.607) 13.068 4.270 ( 2.603 6.328 12.886) 14.590 4.517 ( 4.457 9.744 -3.417) 11.246 4.613 ( -2.316 -0.457 5.711) 6.180 4.779 ( -2.840 1.689 -7.239) 7.957 4.920 ( -12.085 22.417 2.340) 25.575 5.006 ( -5.248 13.585 -0.400) 14.569 5.264 ( -4.832 1.340 4.823) 6.957 5.325 ( 2.171 -8.122 19.971) 21.668 5.621 ( -9.162 9.590 -3.613) 13.746 5.787 ( -9.560 5.814 -11.965) 16.382 6.039 ( 1.583 -11.210 -15.460) 19.162 6.080 ( -4.746 -0.016 7.857) 9.179 6.428 ( 4.338 1.038 0.531) 4.492 6.482 ( 3.402 -18.970 0.167) 19.273 6.538 ( -2.436 -11.893 -3.359) 12.597 6.704 ( -3.969 -0.590 -12.173) 12.817 6.920 ( 1.620 3.997 8.064) 9.145 6.942 ( -3.360 -4.040 6.563) 8.408 7.038 ( 7.710 0.467 3.005) 8.288 7.316 ( 2.687 2.986 -6.101) 7.305 7.605 ( -18.472 0.665 -1.890) 18.581 8.072 ( -13.679 -5.393 -2.528) 14.919 8.422 ( -1.225 -15.837 7.448) 17.543 8.763 ( -1.842 4.319 -13.655) 14.440 9.007 ( -3.882 0.100 -0.308) 3.896 9.235 ( 3.585 -2.416 1.624) 4.619 9.317 ( -0.014 2.886 -1.094) 3.086 9.656 ( 8.590 -5.572 -8.123) 13.070 9.854 ( 11.545 -1.583 5.236) 12.775 9.941 ( 10.853 -1.592 3.403) 11.485 10.160 ( 3.613 -2.706 2.954) 5.395 10.490 ( -2.235 -5.188 -11.752) 13.039 10.572 ( 2.391 -9.931 7.849) 12.882 10.969 ( -0.741 -11.837 -4.508) 12.688 11.224 ( -3.334 -4.252 10.380) 11.702 11.513 ( 2.931 -5.699 -1.704) 6.631 13.345 ( -3.141 -1.025 4.112) 5.275 13.461 ( -1.400 5.166 -0.744) 5.404 13.597 ( 1.067 2.045 2.013) 3.062 13.673 ( 0.884 2.615 0.536) 2.811 15.307 ( -7.603 -2.181 5.150) 9.438 15.686 ( -1.142 0.400 -10.334) 10.405 15.879 ( 2.185 0.023 2.030) 2.982 15.998 ( -3.039 -1.844 -3.089) 4.709 16.279 ( 2.973 2.391 10.604) 11.269 16.382 ( -2.409 1.870 0.591) 3.106 16.572 ( 8.799 4.117 -4.941) 10.898 16.691 ( 5.342 8.723 -8.234) 13.131 18.349 ( -3.455 -1.655 7.738) 8.634 18.733 ( 2.611 2.916 -7.436) 8.404 19.055 ( 0.739 1.988 5.223) 5.638 19.355 ( 1.953 -2.611 -7.178) 7.884 22.943 ( 7.581 0.725 10.890) 13.289 23.432 ( 22.464 -11.977 -7.929) 26.664 26.943 ( -21.760 -1.542 4.094) 22.196 27.289 ( -33.211 -14.835 -9.782) 37.666 28.384 ( -9.868 -0.325 1.880) 10.051 28.464 ( -13.219 1.727 -0.147) 13.332 29.276 ( 0.443 4.616 2.525) 5.280 29.426 ( 0.542 -3.119 -3.027) 4.380 30.073 ( 4.608 0.496 0.824) 4.707 30.158 ( 9.542 -0.035 -2.769) 9.935 31.928 ( -1.774 -0.716 0.971) 2.146 31.966 ( -0.635 1.409 1.587) 2.216 32.154 ( -1.338 -0.056 -4.049) 4.265 32.169 ( -1.106 2.266 -3.745) 4.514 33.675 ( -5.448 1.766 2.072) 6.091 33.836 ( -8.787 13.877 -1.431) 16.488 35.339 ( 33.519 2.283 19.367) 38.779 36.017 ( 26.872 -22.069 -8.288) 35.747 ======================= Grid point 99 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -15.217 14.699 25.424) 33.076 1.946 ( -44.522 17.965 17.183) 50.992 2.376 ( -15.384 21.919 -0.967) 26.797 2.578 ( -4.702 20.342 -14.113) 25.201 2.708 ( -10.282 20.194 -0.554) 22.667 2.946 ( -14.481 7.986 -15.842) 22.901 3.198 ( -11.070 41.980 31.933) 53.894 4.125 ( -1.798 -2.212 -8.753) 9.205 4.367 ( 1.281 7.693 0.401) 7.809 4.447 ( -7.852 7.522 1.280) 10.949 4.518 ( -5.014 6.274 -5.046) 9.485 4.567 ( 5.751 -0.973 1.749) 6.089 4.663 ( -0.800 -0.323 9.376) 9.415 5.000 ( 6.920 7.535 5.801) 11.761 5.199 ( -3.679 -0.069 -2.869) 4.666 5.344 ( -2.945 6.580 8.855) 11.418 5.491 ( -5.319 4.487 -2.887) 7.534 5.568 ( 0.009 -6.473 7.779) 10.120 5.974 ( -6.920 -1.931 0.852) 7.235 6.166 ( 0.961 -3.206 -19.100) 19.391 6.435 ( -2.069 6.955 -19.924) 21.204 6.526 ( 5.106 5.480 -7.166) 10.366 6.594 ( -7.337 4.235 -2.661) 8.879 6.676 ( -6.499 -8.836 2.513) 11.253 7.027 ( 2.463 -25.779 6.194) 26.627 7.133 ( 3.807 -2.187 11.941) 12.722 7.153 ( -7.694 0.299 -3.074) 8.290 7.222 ( 5.085 -9.301 7.630) 13.061 7.469 ( -2.003 0.350 -2.817) 3.474 7.965 ( -7.191 -8.782 8.450) 14.150 8.489 ( -3.252 4.172 5.241) 7.446 8.828 ( 1.189 -20.613 -10.278) 23.064 9.027 ( -1.152 -8.810 -4.638) 10.023 9.244 ( 0.174 4.669 -18.268) 18.856 9.323 ( 2.521 0.018 7.240) 7.666 9.803 ( 2.968 -2.322 -11.971) 12.550 10.039 ( 6.252 -3.054 6.308) 9.392 10.147 ( 9.722 -2.456 6.134) 11.755 10.283 ( 7.425 -0.723 1.635) 7.637 10.538 ( 0.964 -4.643 -10.086) 11.145 10.686 ( -3.496 -7.437 10.210) 13.106 11.053 ( -6.640 -11.724 3.202) 13.849 11.241 ( -1.089 -4.067 13.197) 13.852 11.627 ( 2.415 -4.614 -4.290) 6.747 13.302 ( -1.963 0.783 2.005) 2.913 13.362 ( -1.383 6.007 -0.522) 6.186 13.579 ( 0.567 5.749 2.746) 6.396 13.628 ( 1.544 4.928 3.399) 6.182 15.232 ( -4.260 -1.572 5.681) 7.272 15.672 ( 0.005 0.671 -13.435) 13.452 15.899 ( 0.448 0.189 1.767) 1.833 16.002 ( -1.732 -5.710 -2.669) 6.536 16.290 ( 1.653 1.911 12.102) 12.363 16.345 ( -2.321 -2.878 -0.077) 3.698 16.599 ( 3.768 8.447 -11.620) 14.852 16.688 ( 3.344 2.912 -5.287) 6.900 18.348 ( -1.927 -5.250 6.724) 8.746 18.717 ( -0.719 1.522 -9.435) 9.584 19.093 ( 5.783 2.089 6.328) 8.823 19.407 ( 1.946 0.391 -8.812) 9.033 23.032 ( 8.514 6.617 22.531) 24.979 24.047 ( 32.893 -11.306 -18.461) 39.378 26.642 ( -14.421 -0.175 1.441) 14.494 26.867 ( -39.084 -12.755 -9.321) 42.156 28.204 ( -9.931 0.361 1.020) 9.990 28.254 ( -9.423 0.701 -0.232) 9.451 29.229 ( 0.412 3.891 4.184) 5.729 29.489 ( 1.519 -2.669 -6.256) 6.969 30.121 ( 2.217 0.953 2.234) 3.288 30.272 ( 5.034 1.499 -4.261) 6.764 31.911 ( -1.143 -0.773 1.013) 1.712 31.940 ( -0.726 0.634 1.084) 1.450 32.093 ( -0.475 3.548 -0.897) 3.690 32.174 ( -1.463 -3.207 -5.471) 6.508 33.408 ( -3.886 23.215 0.062) 23.538 33.620 ( -2.729 10.391 -8.674) 13.808 35.972 ( 33.838 -12.813 29.583) 46.737 36.721 ( 18.658 -26.015 -6.671) 32.702 ======================= Grid point 100 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.000 17.618 28.485) 33.493 1.307 ( -0.000 17.944 35.529) 39.803 1.929 ( -0.000 19.828 -3.927) 20.213 2.257 ( -0.000 21.661 -4.999) 22.230 2.354 ( -0.000 17.887 0.293) 17.890 2.497 ( -0.000 45.243 42.123) 61.817 2.722 ( -0.000 6.443 -18.578) 19.663 4.187 ( -0.000 9.709 2.811) 10.108 4.194 ( 0.000 -5.149 -10.832) 11.994 4.266 ( -0.000 10.464 -0.870) 10.500 4.466 ( 0.000 -0.430 -17.716) 17.722 4.613 ( 0.000 -0.046 8.103) 8.103 4.744 ( 0.000 -4.083 -11.739) 12.429 5.024 ( 0.000 -5.186 20.152) 20.809 5.127 ( -0.000 1.105 -10.402) 10.460 5.298 ( -0.000 1.304 16.272) 16.324 5.318 ( -0.000 9.139 -5.875) 10.864 5.696 ( 0.000 -2.684 31.407) 31.521 5.952 ( 0.000 -0.437 -10.271) 10.281 6.190 ( 0.000 -1.659 -20.865) 20.930 6.263 ( -0.000 6.423 -26.117) 26.895 6.410 ( -0.000 6.364 3.161) 7.105 6.543 ( -0.000 5.517 -2.478) 6.048 6.736 ( 0.000 -5.960 3.697) 7.013 7.018 ( 0.000 -5.213 -5.963) 7.920 7.196 ( 0.000 -0.715 12.937) 12.957 7.269 ( -0.000 3.262 1.561) 3.617 7.434 ( 0.000 -16.920 7.966) 18.702 7.472 ( 0.000 -0.525 -1.521) 1.609 8.047 ( 0.000 -7.990 0.853) 8.035 8.375 ( -0.000 3.015 -7.346) 7.941 9.062 ( -0.000 0.879 -4.912) 4.990 9.181 ( 0.000 -16.579 1.355) 16.634 9.298 ( 0.000 -23.396 -21.429) 31.726 9.344 ( -0.000 0.089 7.511) 7.511 9.841 ( 0.000 -0.973 -12.676) 12.713 10.134 ( 0.000 -3.457 5.031) 6.104 10.273 ( 0.000 -2.128 6.843) 7.167 10.382 ( 0.000 -0.697 -2.639) 2.729 10.633 ( 0.000 -0.613 24.164) 24.172 10.646 ( 0.000 -3.127 -12.592) 12.974 11.126 ( 0.000 -13.515 15.677) 20.698 11.278 ( 0.000 -2.806 13.480) 13.769 11.699 ( 0.000 -3.144 -5.445) 6.287 13.266 ( -0.000 2.300 0.114) 2.303 13.276 ( -0.000 5.384 -0.118) 5.386 13.463 ( -0.000 9.975 3.539) 10.584 13.609 ( -0.000 3.175 1.880) 3.690 15.205 ( 0.000 -0.503 6.038) 6.059 15.663 ( -0.000 0.774 -14.478) 14.498 15.902 ( 0.000 -0.471 2.394) 2.440 16.084 ( 0.000 -8.512 -4.222) 9.501 16.285 ( -0.000 1.418 13.457) 13.531 16.387 ( 0.000 -6.767 -2.080) 7.079 16.533 ( -0.000 4.450 -9.622) 10.601 16.691 ( -0.000 1.478 -5.160) 5.367 18.418 ( 0.000 -8.215 4.531) 9.382 18.687 ( -0.000 1.893 -7.844) 8.070 19.123 ( -0.000 3.715 2.119) 4.276 19.375 ( -0.000 9.767 -12.806) 16.105 23.057 ( -0.000 1.350 35.161) 35.187 24.612 ( 0.000 -6.653 -40.366) 40.911 26.454 ( -0.000 0.304 0.996) 1.041 26.509 ( -0.000 0.496 -1.054) 1.165 28.099 ( -0.000 0.762 1.153) 1.382 28.159 ( -0.000 0.844 -1.099) 1.385 29.190 ( -0.000 2.602 5.104) 5.729 29.517 ( -0.000 0.824 -10.204) 10.237 30.125 ( -0.000 1.266 3.031) 3.285 30.288 ( -0.000 2.261 -4.220) 4.787 31.916 ( 0.000 -1.630 0.754) 1.796 31.936 ( 0.000 -1.446 1.264) 1.920 32.058 ( -0.000 1.150 0.938) 1.484 32.205 ( 0.000 -4.353 -5.208) 6.788 33.041 ( -0.000 27.853 0.683) 27.861 33.378 ( -0.000 25.465 -19.576) 32.120 36.664 ( 0.000 -36.736 32.768) 49.227 37.216 ( 0.000 -23.324 -3.022) 23.518 ======================= Grid point 103 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 23.120 0.000 13.328) 26.687 2.679 ( 17.355 0.000 14.533) 22.636 2.958 ( 22.676 0.000 0.489) 22.681 3.135 ( 19.781 0.000 6.549) 20.837 3.331 ( 21.425 0.000 1.969) 21.516 3.710 ( -0.478 -0.000 -10.662) 10.673 3.933 ( -3.837 -0.000 -14.542) 15.039 4.152 ( 16.942 0.000 -16.903) 23.932 4.467 ( -14.084 -0.000 4.287) 14.722 4.620 ( -0.159 -0.000 4.722) 4.725 4.647 ( -5.290 -0.000 -4.635) 7.033 4.710 ( 9.355 0.000 0.211) 9.357 5.090 ( 20.482 0.000 6.432) 21.469 5.121 ( 6.223 0.000 5.072) 8.028 5.396 ( 17.697 0.000 12.942) 21.925 5.571 ( 21.399 0.000 4.654) 21.899 5.571 ( -0.115 -0.000 1.851) 1.855 5.865 ( -19.724 -0.000 4.227) 20.172 5.879 ( -1.463 -0.000 5.854) 6.034 6.095 ( 4.668 0.000 -6.040) 7.634 6.393 ( -7.746 -0.000 4.039) 8.735 6.426 ( 11.021 0.000 -18.784) 21.779 6.654 ( -3.619 -0.000 7.302) 8.150 6.816 ( -2.620 -0.000 -1.540) 3.039 7.004 ( 3.624 0.000 -8.739) 9.461 7.282 ( 1.667 0.000 6.815) 7.016 7.623 ( 0.594 0.000 -8.255) 8.277 7.747 ( -1.276 -0.000 -16.975) 17.023 8.042 ( 7.183 0.000 -3.305) 7.907 8.378 ( 4.604 0.000 -1.859) 4.965 8.490 ( -8.723 -0.000 -6.847) 11.089 8.816 ( -6.197 -0.000 -0.187) 6.199 9.137 ( -0.849 -0.000 6.580) 6.635 9.326 ( -7.141 -0.000 -0.046) 7.141 9.478 ( 3.501 0.000 12.083) 12.580 9.621 ( -1.740 -0.000 -2.988) 3.458 9.636 ( -3.109 -0.000 -2.752) 4.152 9.663 ( 3.816 0.000 1.266) 4.021 10.288 ( -0.717 -0.000 2.110) 2.228 10.338 ( -19.053 -0.000 1.668) 19.126 10.546 ( -13.179 -0.000 9.975) 16.528 10.561 ( -14.993 -0.000 3.667) 15.435 11.259 ( -3.646 -0.000 0.577) 3.692 11.294 ( -9.941 -0.000 -1.103) 10.002 13.268 ( -0.408 -0.000 2.562) 2.594 13.365 ( 3.080 0.000 -0.092) 3.081 13.479 ( 4.478 0.000 2.386) 5.074 13.527 ( 3.613 0.000 -0.778) 3.696 15.643 ( 3.519 0.000 -1.161) 3.706 15.706 ( -3.705 -0.000 -2.230) 4.325 15.957 ( -8.132 -0.000 2.839) 8.614 15.982 ( 7.642 0.000 -1.220) 7.739 16.268 ( -5.407 -0.000 -1.813) 5.703 16.315 ( 2.294 0.000 -6.363) 6.764 16.778 ( 4.940 0.000 3.065) 5.813 16.815 ( 4.063 0.000 3.008) 5.055 18.685 ( 0.677 0.000 3.248) 3.318 18.915 ( 4.894 0.000 -5.457) 7.330 19.031 ( 7.963 0.000 2.612) 8.381 19.224 ( 2.613 0.000 -5.083) 5.715 22.082 ( -4.256 -0.000 5.779) 7.178 22.350 ( -14.061 -0.000 -4.574) 14.786 27.899 ( 22.237 0.000 11.084) 24.846 27.961 ( -15.165 -0.000 5.721) 16.209 28.138 ( -16.930 -0.000 -3.261) 17.241 29.003 ( 12.575 0.000 -31.836) 34.229 29.620 ( -10.940 -0.000 1.167) 11.002 29.730 ( -8.177 -0.000 -2.804) 8.644 29.833 ( 0.629 0.000 -3.082) 3.146 29.845 ( 5.667 0.000 -0.541) 5.693 31.973 ( -0.189 -0.000 -0.978) 0.996 32.015 ( -1.084 -0.000 -1.239) 1.646 32.192 ( 0.714 0.000 4.104) 4.165 32.405 ( 0.824 0.000 -1.015) 1.307 32.962 ( 7.298 0.000 28.197) 29.126 33.725 ( 26.768 0.000 -7.191) 27.718 34.698 ( 3.797 0.000 17.610) 18.015 35.497 ( -32.939 -0.000 -11.599) 34.922 ======================= Grid point 104 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 18.726 -8.152 5.109) 21.053 2.877 ( 6.982 2.365 -1.367) 7.497 3.279 ( 8.415 -3.685 9.077) 12.914 3.486 ( 12.288 -3.577 10.049) 16.272 3.538 ( 10.547 -5.618 6.760) 13.730 3.819 ( 4.099 -7.706 -12.795) 15.488 3.877 ( 0.283 3.645 -6.526) 7.480 4.231 ( -1.692 9.707 -4.553) 10.854 4.377 ( 5.663 3.995 -12.876) 14.622 4.411 ( -9.257 1.918 -6.123) 11.264 4.657 ( -1.282 -0.964 5.109) 5.355 4.857 ( 7.989 0.926 -1.114) 8.120 5.214 ( -0.888 3.474 10.581) 11.172 5.227 ( 3.975 0.891 1.922) 4.504 5.420 ( -14.615 0.579 10.213) 17.839 5.478 ( -13.592 1.869 12.691) 18.690 5.784 ( -3.564 -0.968 7.494) 8.354 5.860 ( 18.981 -5.404 6.874) 20.898 5.977 ( 15.509 -3.491 3.014) 16.180 6.190 ( 6.751 -0.175 -3.107) 7.434 6.358 ( 2.979 0.086 -4.516) 5.411 6.546 ( -2.457 0.839 -7.796) 8.217 6.692 ( 3.571 -9.904 -16.091) 19.230 6.765 ( -1.126 1.420 6.697) 6.938 6.917 ( -6.430 10.120 -11.845) 16.854 7.280 ( -0.780 3.814 3.861) 5.482 7.522 ( -2.362 11.842 -10.019) 15.690 7.656 ( -4.037 5.378 -11.669) 13.468 8.111 ( -1.874 -2.350 -0.501) 3.047 8.220 ( -14.836 3.117 -4.084) 15.701 8.471 ( -0.329 -4.971 12.447) 13.407 8.754 ( -5.393 -3.485 4.987) 8.130 9.099 ( -0.931 3.393 4.296) 5.553 9.223 ( -2.410 3.738 0.548) 4.481 9.486 ( -7.958 4.454 -3.040) 9.613 9.570 ( 2.444 2.234 -2.619) 4.221 9.612 ( 5.486 0.164 2.563) 6.058 9.721 ( 4.205 6.606 -4.742) 9.155 10.053 ( -7.394 -2.847 5.657) 9.736 10.255 ( -9.763 -1.767 2.681) 10.278 10.403 ( -4.822 -5.148 -0.059) 7.054 10.428 ( -5.859 -4.768 0.655) 7.582 11.148 ( -8.086 -2.156 1.934) 8.589 11.231 ( -1.903 -2.170 -0.211) 2.894 13.268 ( -1.617 -2.557 3.582) 4.689 13.424 ( 1.627 -3.127 -1.443) 3.809 13.557 ( 3.374 -1.107 1.314) 3.786 13.582 ( 2.810 0.121 -0.526) 2.861 15.573 ( -10.545 -0.142 2.603) 10.863 15.721 ( 5.205 -0.388 3.046) 6.044 15.825 ( -6.953 0.204 -2.967) 7.562 16.093 ( 3.312 0.934 -7.173) 7.956 16.255 ( 5.808 0.936 1.723) 6.130 16.344 ( 2.098 0.860 -2.269) 3.208 16.804 ( 5.002 7.511 2.020) 9.247 16.865 ( 4.384 3.077 1.078) 5.463 18.649 ( -1.335 4.365 4.912) 6.705 18.936 ( 4.523 6.747 -4.999) 9.538 19.158 ( 5.207 -0.115 -0.568) 5.239 19.251 ( 0.233 0.768 -2.878) 2.988 22.150 ( 0.742 -14.290 2.161) 14.471 22.264 ( -7.080 -13.245 -2.200) 15.179 27.616 ( -22.018 -0.565 3.666) 22.328 27.795 ( -23.310 -1.634 -2.955) 23.553 28.282 ( 16.888 -0.916 10.512) 19.914 29.063 ( -6.408 2.379 -19.093) 20.279 29.492 ( -1.695 0.556 -3.569) 3.990 29.542 ( -11.969 -0.472 -2.085) 12.158 29.838 ( 4.742 3.264 4.002) 7.011 29.945 ( 6.205 1.726 -1.483) 6.609 31.966 ( -0.972 0.076 -2.310) 2.507 31.987 ( -1.579 -0.456 -1.859) 2.482 32.175 ( 1.038 3.912 5.584) 6.897 32.412 ( 0.425 1.032 -1.770) 2.093 33.146 ( 3.265 -12.105 26.133) 28.985 34.190 ( 18.730 -8.309 -15.027) 25.410 34.841 ( 15.282 4.115 4.867) 16.558 35.035 ( -16.304 4.130 -2.328) 16.979 ======================= Grid point 105 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 1.329 3.957 -4.348) 6.027 3.033 ( -4.808 8.348 -6.482) 11.611 3.165 ( 3.727 -10.677 8.981) 14.441 3.687 ( -9.026 6.984 3.072) 11.819 3.782 ( 1.721 3.787 -1.706) 4.496 3.873 ( 11.518 -5.187 14.196) 19.002 3.935 ( -1.989 -4.118 -13.184) 13.955 4.159 ( -9.965 -6.388 -2.896) 12.186 4.182 ( 7.273 5.695 -7.398) 11.835 4.475 ( -5.893 0.662 -1.527) 6.124 4.552 ( -11.651 0.467 6.527) 13.363 4.803 ( -0.792 6.093 10.019) 11.753 5.036 ( -5.068 -1.868 8.788) 10.315 5.132 ( -7.036 -6.018 3.693) 9.968 5.333 ( -1.344 4.704 11.101) 12.131 5.482 ( 9.048 0.304 11.203) 14.404 5.771 ( -0.818 -2.588 -1.334) 3.024 6.015 ( -8.304 5.696 -2.872) 10.472 6.126 ( 5.634 3.273 -3.647) 7.467 6.282 ( 1.707 5.597 -10.449) 11.976 6.451 ( 4.944 -3.570 -4.229) 7.421 6.509 ( -2.794 8.505 -7.467) 11.658 6.621 ( 2.151 2.450 3.740) 4.962 6.713 ( -1.735 1.526 2.740) 3.585 6.885 ( -3.534 -9.274 -8.361) 12.977 7.141 ( -1.340 11.699 -3.206) 12.204 7.280 ( -4.301 16.198 -4.824) 17.440 7.513 ( -1.258 8.143 -5.091) 9.686 7.956 ( -15.660 -2.000 -0.998) 15.819 8.043 ( -8.042 -0.899 -0.861) 8.138 8.439 ( -8.249 4.276 10.440) 13.976 8.733 ( -2.056 -7.100 6.233) 9.669 9.066 ( -0.515 0.619 0.127) 0.815 9.159 ( 0.901 -0.414 -0.876) 1.323 9.288 ( -7.378 3.935 2.294) 8.671 9.553 ( 1.058 2.625 -7.912) 8.403 9.717 ( 5.915 2.779 -0.511) 6.555 9.777 ( 11.741 1.723 -0.899) 11.901 10.093 ( -0.785 -8.343 5.242) 9.884 10.119 ( -4.993 0.081 5.004) 7.070 10.414 ( -2.837 -3.554 -4.821) 6.627 10.480 ( -1.939 -12.683 -5.668) 14.026 11.080 ( -6.056 -5.511 5.604) 9.922 11.261 ( 0.739 -4.081 -1.296) 4.345 13.275 ( -2.471 -3.710 4.958) 6.667 13.497 ( 0.484 -5.283 -2.931) 6.061 13.601 ( 1.506 0.635 0.438) 1.693 13.618 ( 1.534 -0.138 -0.005) 1.540 15.399 ( -9.988 -0.566 4.473) 10.958 15.731 ( -3.623 0.093 -6.246) 7.221 15.815 ( 5.137 -0.078 2.331) 5.641 16.081 ( -0.633 2.509 -4.685) 5.352 16.333 ( 3.431 2.811 4.702) 6.464 16.417 ( 7.986 0.122 -0.383) 7.996 16.768 ( 4.682 10.383 0.900) 11.425 16.894 ( 5.039 4.561 -2.256) 7.161 18.542 ( -2.844 6.314 6.685) 9.625 18.912 ( 3.710 7.748 -6.595) 10.830 19.171 ( -0.730 3.677 -0.570) 3.792 19.249 ( 1.766 0.421 -2.178) 2.835 22.414 ( -1.048 -19.737 0.591) 19.774 22.444 ( 5.309 -22.597 -0.407) 23.216 27.252 ( -22.542 -1.285 2.971) 22.773 27.414 ( -27.058 -5.047 -3.054) 27.693 28.461 ( 3.168 0.523 6.659) 7.392 28.815 ( -16.330 2.170 -5.618) 17.405 29.392 ( -5.529 -0.656 -0.770) 5.621 29.464 ( 0.488 4.334 -5.341) 6.896 29.948 ( 9.527 -0.480 1.839) 9.715 30.015 ( 4.504 1.001 -1.033) 4.728 31.934 ( -2.113 -0.062 -1.312) 2.488 31.990 ( -0.531 -1.910 -3.635) 4.140 32.138 ( 0.343 3.524 5.324) 6.393 32.388 ( 0.344 3.668 -2.990) 4.745 33.341 ( 0.068 -13.461 21.141) 25.063 34.342 ( -9.181 -1.048 -19.465) 21.547 35.039 ( 18.679 -4.188 5.174) 19.830 35.091 ( 20.505 4.757 1.369) 21.094 ======================= Grid point 106 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -19.921 13.839 4.563) 24.681 2.841 ( 2.965 6.628 -8.698) 11.330 3.299 ( -21.235 7.971 -1.496) 22.731 3.440 ( -28.191 12.309 13.221) 33.481 3.505 ( 6.550 5.420 -0.259) 8.505 3.541 ( -18.794 7.764 -9.518) 22.452 3.757 ( -14.247 5.710 -2.404) 15.536 4.148 ( 7.591 5.726 4.535) 10.534 4.410 ( -0.051 -11.715 -13.415) 17.810 4.482 ( 7.268 -12.437 13.818) 19.961 4.602 ( 7.731 2.828 9.191) 12.339 4.799 ( 5.092 6.315 10.532) 13.294 5.020 ( -3.241 -12.319 5.048) 13.702 5.218 ( -3.078 5.057 10.089) 11.698 5.281 ( 2.101 -15.060 -5.234) 16.081 5.466 ( -3.684 16.200 11.578) 20.250 5.664 ( -11.205 3.372 -4.496) 12.536 5.889 ( -0.479 -2.815 -6.148) 6.779 5.904 ( -10.332 12.563 -9.986) 19.087 6.111 ( -5.789 10.343 4.192) 12.572 6.370 ( -3.870 4.535 -1.510) 6.150 6.519 ( 1.506 6.794 1.183) 7.058 6.646 ( -0.322 7.303 -1.676) 7.500 6.702 ( 1.877 -1.132 -8.285) 8.570 6.953 ( 3.865 -0.265 0.062) 3.875 6.982 ( 6.762 12.019 6.949) 15.443 7.091 ( -1.337 2.350 -3.977) 4.809 7.434 ( 0.474 4.263 -4.810) 6.445 7.672 ( -20.262 1.451 -5.883) 21.149 7.934 ( -7.732 -3.692 -6.973) 11.047 8.218 ( -7.465 3.000 6.801) 10.535 8.755 ( -6.575 -5.008 -6.977) 10.816 9.091 ( -1.313 -6.941 7.305) 10.162 9.147 ( -1.203 5.380 4.564) 7.157 9.272 ( 4.527 -4.077 4.140) 7.366 9.581 ( 5.707 0.445 -8.569) 10.305 9.827 ( 7.861 -0.772 3.081) 8.479 9.932 ( 8.426 0.933 -0.793) 8.514 10.087 ( 1.522 -3.038 2.969) 4.512 10.225 ( -1.369 -11.889 4.260) 12.703 10.419 ( -1.642 -3.718 -8.457) 9.384 10.615 ( -3.729 -14.574 -6.707) 16.471 11.077 ( -3.731 -6.446 8.720) 11.468 11.355 ( 2.454 -5.996 -2.937) 7.114 13.279 ( -2.657 -3.602 6.201) 7.648 13.545 ( -0.827 -0.666 -3.760) 3.907 13.616 ( 0.648 -1.172 0.335) 1.380 13.637 ( 0.720 -0.751 0.090) 1.044 15.268 ( -6.725 -0.994 5.955) 9.037 15.695 ( -0.714 0.234 -11.179) 11.204 15.886 ( 3.400 0.554 2.353) 4.172 16.026 ( -1.325 3.246 -2.253) 4.168 16.343 ( 2.197 2.376 10.129) 10.633 16.509 ( 4.498 4.747 2.174) 6.892 16.722 ( 5.739 8.471 -2.474) 10.527 16.910 ( 4.748 6.247 -6.323) 10.077 18.412 ( -2.915 5.823 7.854) 10.202 18.857 ( 0.393 6.220 -9.809) 11.622 19.119 ( 1.851 4.093 3.314) 5.582 19.280 ( 0.942 -1.885 -3.910) 4.442 22.686 ( 3.086 -19.030 4.434) 19.782 22.896 ( 10.596 -26.771 -3.479) 29.001 26.910 ( -19.655 -0.976 1.848) 19.766 27.030 ( -27.344 -6.232 -2.669) 28.172 28.390 ( -8.655 0.844 2.927) 9.176 28.521 ( -14.806 2.040 -1.824) 15.057 29.379 ( 1.952 -0.445 -0.064) 2.003 29.406 ( -0.063 4.644 -0.892) 4.729 30.072 ( 3.113 -0.318 0.185) 3.134 30.123 ( 8.185 -2.242 -1.885) 8.693 31.906 ( -1.879 -0.800 -0.385) 2.078 32.004 ( -0.076 -0.403 -2.205) 2.243 32.104 ( -0.534 1.133 2.048) 2.401 32.330 ( 0.169 6.033 -3.583) 7.019 33.487 ( -1.195 -10.936 15.654) 19.133 34.132 ( -8.259 6.928 -9.715) 14.512 35.402 ( 21.944 2.243 2.956) 22.255 35.524 ( 20.860 -15.004 -1.549) 25.742 ======================= Grid point 107 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -20.839 17.255 12.652) 29.867 2.420 ( -33.970 21.055 22.232) 45.733 2.860 ( -8.078 5.695 -21.095) 23.296 2.949 ( -7.071 15.618 -3.740) 17.548 3.194 ( -9.895 10.937 -7.790) 16.680 3.323 ( -6.723 21.262 -7.095) 23.401 3.592 ( 0.639 4.935 15.334) 16.121 4.272 ( 8.062 -0.578 4.991) 9.499 4.505 ( -0.951 1.576 9.947) 10.116 4.568 ( 0.885 6.001 -1.323) 6.208 4.691 ( 2.521 -10.322 -1.124) 10.685 4.789 ( 5.644 12.196 0.115) 13.439 5.012 ( -9.882 21.711 -2.714) 24.008 5.021 ( -9.303 13.805 8.571) 18.724 5.237 ( 2.823 -2.214 -2.176) 4.196 5.351 ( 0.986 0.318 5.401) 5.500 5.573 ( -6.724 2.448 6.617) 9.747 5.647 ( -5.718 -0.410 3.681) 6.813 5.913 ( 3.124 -16.578 -7.766) 18.572 6.048 ( -1.742 2.507 11.299) 11.705 6.217 ( -8.910 -5.926 -2.075) 10.900 6.414 ( -0.345 10.360 -10.550) 14.790 6.629 ( 8.357 0.304 -1.504) 8.497 6.704 ( 1.143 3.727 -4.460) 5.923 6.855 ( -3.609 3.250 -1.316) 5.031 7.078 ( 2.993 2.833 1.342) 4.334 7.195 ( 10.224 2.922 3.191) 11.102 7.262 ( -15.664 5.764 -7.085) 18.133 7.430 ( -0.630 -0.443 3.657) 3.738 7.829 ( -9.251 -3.884 -10.178) 14.291 8.205 ( -1.915 -12.093 4.575) 13.070 8.715 ( -3.738 -3.766 -14.399) 15.345 9.013 ( -1.962 6.620 5.634) 8.911 9.205 ( -0.124 -6.281 2.953) 6.942 9.339 ( 1.525 0.238 5.374) 5.591 9.720 ( 5.790 -3.446 -9.637) 11.759 9.957 ( 3.929 -2.938 5.809) 7.604 10.074 ( 7.938 -2.977 3.522) 9.181 10.221 ( 7.313 -4.097 -0.326) 8.389 10.338 ( -3.513 -12.240 3.257) 13.144 10.464 ( -0.247 -5.946 -9.027) 10.813 10.709 ( -7.504 -14.928 -5.723) 17.661 11.114 ( -1.444 -5.903 11.652) 13.141 11.479 ( 2.195 -6.612 -4.475) 8.280 13.279 ( -1.831 -2.494 6.244) 6.968 13.499 ( -1.042 4.005 -2.324) 4.746 13.626 ( 0.464 0.675 0.627) 1.032 13.679 ( 0.251 -2.718 -0.244) 2.740 15.200 ( -3.248 -1.142 6.813) 7.633 15.690 ( 0.419 0.617 -14.327) 14.346 15.914 ( 1.246 0.791 2.083) 2.553 15.963 ( -1.470 2.375 -0.285) 2.808 16.347 ( 1.644 2.251 13.268) 13.558 16.441 ( 0.210 9.249 3.599) 9.927 16.746 ( 4.911 3.989 -5.282) 8.242 16.879 ( 2.760 8.813 -10.425) 13.927 18.314 ( -1.737 2.809 8.393) 9.020 18.780 ( -1.337 3.797 -10.559) 11.300 19.134 ( 4.091 2.246 4.332) 6.367 19.333 ( 0.763 -3.982 -5.020) 6.453 22.964 ( 4.249 -13.172 10.459) 17.348 23.467 ( 13.316 -30.338 -8.841) 34.290 26.642 ( -12.420 0.062 0.095) 12.420 26.672 ( -22.313 -3.879 -1.162) 22.677 28.221 ( -8.323 1.096 1.544) 8.536 28.293 ( -8.813 1.973 -1.090) 9.096 29.343 ( -0.043 4.542 1.706) 4.852 29.434 ( 2.319 -1.114 -1.686) 3.076 30.121 ( 1.694 -0.869 1.702) 2.554 30.261 ( 4.590 -2.204 -3.718) 6.305 31.891 ( -1.168 -0.900 0.583) 1.586 31.988 ( 0.002 2.440 1.427) 2.827 32.100 ( -0.715 -2.090 -3.398) 4.053 32.244 ( -0.058 7.269 -3.464) 8.052 33.580 ( -1.136 -6.504 9.531) 11.594 33.912 ( -3.587 12.290 -3.847) 13.368 35.753 ( 17.282 -5.002 7.155) 19.362 36.066 ( 13.655 -23.103 -4.574) 27.224 ======================= Grid point 108 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.000 15.181 22.891) 27.467 1.795 ( -0.000 25.321 30.798) 39.871 2.487 ( -0.000 20.764 -8.749) 22.532 2.842 ( -0.000 17.541 -19.377) 26.137 2.908 ( -0.000 18.441 -6.441) 19.534 2.976 ( -0.000 17.859 -9.301) 20.136 3.497 ( -0.000 12.857 18.253) 22.327 4.316 ( -0.000 33.091 5.548) 33.553 4.408 ( 0.000 -5.949 4.246) 7.309 4.453 ( -0.000 8.033 7.433) 10.944 4.516 ( -0.000 4.910 5.505) 7.377 4.698 ( -0.000 10.297 -7.298) 12.621 4.707 ( -0.000 11.630 2.566) 11.910 5.094 ( 0.000 -16.515 7.277) 18.047 5.187 ( -0.000 3.973 -10.101) 10.854 5.396 ( -0.000 7.154 10.574) 12.767 5.427 ( -0.000 4.028 3.249) 5.175 5.555 ( -0.000 4.321 -6.594) 7.883 5.955 ( -0.000 6.243 14.156) 15.471 6.139 ( 0.000 -2.198 -18.846) 18.974 6.306 ( 0.000 -23.348 -6.092) 24.130 6.518 ( 0.000 -19.891 0.045) 19.891 6.620 ( -0.000 9.313 2.693) 9.695 6.729 ( -0.000 8.464 -2.298) 8.770 6.775 ( -0.000 2.290 -13.520) 13.713 6.951 ( 0.000 -5.909 -4.187) 7.242 7.172 ( 0.000 -1.017 13.149) 13.188 7.249 ( -0.000 0.163 5.718) 5.721 7.450 ( 0.000 -1.230 -1.308) 1.795 7.810 ( 0.000 -5.670 2.684) 6.273 8.390 ( 0.000 -16.026 6.354) 17.240 8.712 ( 0.000 -0.204 -17.841) 17.842 8.941 ( 0.000 -0.673 -0.506) 0.842 9.257 ( 0.000 -2.103 -7.930) 8.204 9.349 ( -0.000 0.331 6.118) 6.127 9.801 ( 0.000 -2.133 -11.868) 12.058 10.034 ( 0.000 -3.961 5.850) 7.065 10.203 ( 0.000 -3.034 6.014) 6.736 10.344 ( 0.000 -2.316 -2.851) 3.673 10.470 ( 0.000 -13.528 10.276) 16.988 10.541 ( 0.000 -4.807 -12.128) 13.046 10.802 ( 0.000 -13.848 0.594) 13.861 11.174 ( 0.000 -5.178 13.041) 14.031 11.581 ( 0.000 -5.976 -5.241) 7.949 13.285 ( 0.000 -0.838 4.661) 4.736 13.426 ( -0.000 5.648 -1.419) 5.823 13.621 ( -0.000 1.003 1.988) 2.227 13.688 ( -0.000 2.089 1.282) 2.451 15.186 ( 0.000 -0.979 6.792) 6.863 15.685 ( -0.000 0.868 -15.401) 15.426 15.909 ( -0.000 1.177 2.241) 2.531 15.942 ( 0.000 -1.555 -0.141) 1.561 16.333 ( -0.000 2.215 13.801) 13.977 16.340 ( -0.000 5.099 1.651) 5.360 16.748 ( -0.000 2.923 -5.269) 6.025 16.772 ( -0.000 11.050 -13.755) 17.643 18.290 ( 0.000 -1.346 8.174) 8.284 18.730 ( -0.000 2.169 -10.191) 10.420 19.161 ( -0.000 0.557 4.666) 4.699 19.395 ( 0.000 -3.917 -6.452) 7.548 23.119 ( 0.000 -3.842 18.236) 18.636 24.026 ( 0.000 -32.205 -17.622) 36.711 26.464 ( -0.000 0.450 1.124) 1.211 26.525 ( -0.000 0.755 -1.172) 1.394 28.127 ( -0.000 1.398 1.240) 1.869 28.193 ( -0.000 1.748 -1.204) 2.122 29.287 ( -0.000 4.378 3.142) 5.388 29.475 ( 0.000 -2.039 -4.031) 4.518 30.144 ( 0.000 -0.193 2.541) 2.549 30.320 ( 0.000 -0.623 -4.478) 4.521 31.891 ( 0.000 -0.722 1.086) 1.304 31.955 ( -0.000 2.287 1.707) 2.854 32.125 ( 0.000 -2.402 -5.087) 5.625 32.154 ( -0.000 6.049 -2.641) 6.600 33.595 ( -0.000 5.647 1.209) 5.775 33.707 ( -0.000 12.393 -0.302) 12.397 36.047 ( 0.000 -14.348 13.907) 19.982 36.521 ( 0.000 -28.032 -5.522) 28.570 ======================= Grid point 113 (45/75) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 14.776 0.000 8.054) 16.829 2.936 ( -5.659 -0.000 -2.561) 6.211 3.370 ( -4.594 -0.000 -1.182) 4.743 3.429 ( 1.909 0.000 -7.116) 7.368 3.652 ( 7.101 0.000 15.260) 16.831 3.832 ( -3.870 -0.000 9.483) 10.242 3.912 ( 3.037 0.000 -5.532) 6.311 4.139 ( -16.671 -0.000 -9.456) 19.167 4.365 ( 0.904 0.000 -18.023) 18.046 4.503 ( 3.071 0.000 4.836) 5.729 4.666 ( 0.129 0.000 -1.173) 1.180 4.877 ( -25.145 -0.000 20.250) 32.285 5.036 ( 8.655 0.000 -3.725) 9.422 5.084 ( -14.890 -0.000 11.365) 18.731 5.391 ( 7.625 0.000 10.394) 12.891 5.536 ( 11.968 0.000 2.428) 12.212 5.761 ( 1.607 0.000 6.475) 6.672 6.024 ( 3.939 0.000 5.090) 6.436 6.155 ( 1.642 0.000 -9.997) 10.131 6.279 ( -8.742 -0.000 -8.684) 12.322 6.403 ( 18.174 0.000 -2.284) 18.316 6.621 ( 7.395 0.000 -2.531) 7.816 6.661 ( 0.999 0.000 -15.347) 15.380 6.734 ( -3.648 -0.000 14.836) 15.278 6.795 ( -14.005 -0.000 -13.475) 19.435 7.303 ( -0.098 -0.000 2.359) 2.361 7.500 ( -10.490 -0.000 -22.310) 24.654 7.590 ( -3.874 -0.000 -8.915) 9.720 8.008 ( -13.179 -0.000 6.356) 14.631 8.034 ( -4.910 -0.000 8.709) 9.998 8.435 ( -0.848 -0.000 11.996) 12.026 8.631 ( -6.522 -0.000 1.786) 6.762 9.109 ( -0.164 -0.000 4.597) 4.600 9.172 ( -6.741 -0.000 3.981) 7.829 9.342 ( -8.996 -0.000 -1.767) 9.168 9.580 ( 0.098 0.000 -7.867) 7.867 9.775 ( 9.474 0.000 -0.170) 9.475 9.822 ( 2.830 0.000 -2.717) 3.923 9.964 ( 0.818 0.000 5.812) 5.869 10.201 ( 0.897 0.000 -4.225) 4.319 10.204 ( -10.121 -0.000 3.908) 10.849 10.370 ( -0.791 -0.000 -1.909) 2.066 11.005 ( -6.360 -0.000 4.870) 8.010 11.208 ( 0.250 0.000 -2.896) 2.907 13.221 ( -2.014 -0.000 4.303) 4.751 13.419 ( 0.335 0.000 -2.188) 2.213 13.601 ( 2.390 0.000 0.876) 2.545 13.624 ( 1.862 0.000 -0.991) 2.109 15.393 ( -10.102 -0.000 4.706) 11.144 15.732 ( -3.614 -0.000 -4.999) 6.169 15.816 ( 5.660 0.000 1.668) 5.901 16.122 ( 0.546 0.000 -6.113) 6.138 16.372 ( 1.137 0.000 2.805) 3.026 16.418 ( 10.774 0.000 0.695) 10.796 16.919 ( 2.775 0.000 0.680) 2.857 16.940 ( 3.232 0.000 0.473) 3.266 18.637 ( -3.533 -0.000 5.697) 6.704 19.003 ( 0.231 0.000 -8.875) 8.878 19.273 ( 5.987 0.000 -0.616) 6.019 19.273 ( 0.807 0.000 0.310) 0.864 22.095 ( 4.120 0.000 -0.207) 4.125 22.095 ( -2.454 -0.000 -0.230) 2.465 27.236 ( -22.249 -0.000 2.396) 22.378 27.351 ( -26.643 -0.000 -1.878) 26.709 28.470 ( 3.852 0.000 6.902) 7.904 28.840 ( -17.315 -0.000 -5.732) 18.239 29.385 ( -5.129 -0.000 -0.399) 5.144 29.524 ( 0.766 0.000 -8.609) 8.643 29.944 ( 6.943 0.000 2.779) 7.478 30.029 ( 3.125 0.000 -1.291) 3.381 31.940 ( -2.876 -0.000 -1.830) 3.409 31.953 ( -0.758 -0.000 -4.581) 4.644 32.221 ( 0.817 0.000 5.699) 5.757 32.415 ( 0.016 0.000 1.940) 1.940 33.152 ( 4.784 0.000 21.387) 21.915 34.292 ( -1.550 -0.000 -24.503) 24.552 35.008 ( 10.480 0.000 9.201) 13.946 35.154 ( 18.330 0.000 0.161) 18.331 ======================= Grid point 114 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -15.561 4.622 3.102) 16.527 3.082 ( -9.094 9.008 -1.709) 12.914 3.111 ( 7.967 -13.223 3.521) 15.834 3.463 ( -21.162 -0.267 0.622) 21.173 3.595 ( -13.864 2.263 -7.329) 15.845 3.718 ( -16.502 -0.385 2.734) 16.732 3.891 ( 0.828 -6.097 5.418) 8.199 4.035 ( 1.191 -3.887 4.906) 6.372 4.227 ( -3.365 -2.631 -0.723) 4.332 4.468 ( 1.110 5.284 8.994) 10.490 4.586 ( 0.170 5.561 -5.276) 7.667 4.801 ( 1.449 -4.884 10.632) 11.790 4.906 ( -6.094 0.066 15.258) 16.430 5.170 ( 9.624 4.271 -9.031) 13.871 5.458 ( 1.443 8.307 7.518) 11.296 5.711 ( 12.213 4.039 0.375) 12.869 5.786 ( 3.276 2.705 -0.127) 4.251 5.925 ( -9.252 5.010 -1.750) 10.666 6.063 ( -14.476 0.722 -18.418) 23.437 6.243 ( -0.101 -8.873 0.187) 8.875 6.447 ( -13.154 6.079 -8.244) 16.672 6.553 ( -8.213 3.147 6.905) 11.182 6.691 ( 14.285 1.234 -13.004) 19.357 6.774 ( 9.145 1.377 1.613) 9.387 6.867 ( 9.394 -4.419 2.676) 10.721 7.269 ( -0.825 4.087 2.203) 4.716 7.275 ( -8.031 7.748 -12.463) 16.729 7.506 ( -7.934 -1.493 -9.979) 12.836 7.787 ( -7.529 7.210 7.785) 13.011 7.921 ( -7.472 2.671 8.738) 11.803 8.361 ( -6.655 4.016 5.393) 9.461 8.561 ( -6.417 -7.095 0.350) 9.573 9.021 ( -6.939 1.062 5.080) 8.665 9.149 ( 0.938 -3.248 1.075) 3.547 9.256 ( 0.932 1.816 2.147) 2.962 9.596 ( 2.329 0.077 -9.687) 9.963 9.842 ( 4.046 2.285 0.938) 4.740 9.925 ( 3.715 -2.919 -0.830) 4.797 10.032 ( -0.630 0.819 3.411) 3.564 10.047 ( 0.531 -2.354 5.706) 6.195 10.269 ( -3.203 -8.465 -5.572) 10.628 10.373 ( -0.496 -2.106 -7.261) 7.576 10.946 ( -3.074 -2.986 8.436) 9.462 11.239 ( 1.520 -2.583 -3.884) 4.906 13.200 ( -1.973 -1.898 5.165) 5.845 13.440 ( -0.363 -3.358 -3.068) 4.563 13.627 ( 0.827 0.469 0.354) 1.014 13.644 ( 0.970 0.305 -0.948) 1.390 15.252 ( -6.888 -0.340 6.296) 9.338 15.699 ( -0.563 0.048 -10.949) 10.964 15.901 ( 4.308 0.400 2.230) 4.868 16.114 ( 0.333 2.557 -4.652) 5.319 16.386 ( 1.400 0.862 9.276) 9.420 16.583 ( 9.400 1.475 1.061) 9.574 16.914 ( 1.110 4.713 -0.800) 4.908 16.986 ( 2.670 0.475 -1.705) 3.203 18.549 ( -3.939 3.103 6.948) 8.569 18.980 ( -1.148 2.317 -10.595) 10.906 19.253 ( 0.922 4.347 2.179) 4.949 19.324 ( 3.646 4.504 -2.035) 6.142 22.180 ( 0.602 -14.721 1.946) 14.861 22.285 ( 6.002 -15.890 -2.021) 17.106 26.894 ( -18.457 -0.315 0.889) 18.482 26.935 ( -23.835 -1.635 -0.656) 23.900 28.412 ( -8.374 0.588 2.962) 8.902 28.558 ( -15.001 0.761 -2.428) 15.215 29.376 ( 2.722 0.037 1.322) 3.026 29.497 ( -1.599 1.972 -3.201) 4.085 30.066 ( 2.112 -0.143 -0.541) 2.185 30.073 ( 6.395 -1.192 -0.912) 6.569 31.895 ( -2.194 -0.011 -1.786) 2.829 31.955 ( -0.501 -1.745 -5.694) 5.976 32.203 ( 0.609 4.193 6.621) 7.861 32.416 ( 0.050 0.453 0.587) 0.743 33.258 ( 3.141 -5.230 17.733) 18.753 34.206 ( -6.288 0.260 -19.169) 20.176 35.286 ( 16.726 -4.081 6.422) 18.375 35.442 ( 16.528 0.802 -0.955) 16.575 ======================= Grid point 115 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -28.186 7.724 10.393) 31.019 2.783 ( -18.436 1.305 19.017) 26.518 3.047 ( -3.596 16.457 -2.517) 17.032 3.200 ( -17.903 6.837 -12.015) 22.618 3.428 ( 0.602 0.931 1.996) 2.283 3.535 ( -0.695 -9.880 -0.396) 9.912 3.767 ( -5.493 11.202 -7.248) 14.429 4.227 ( 1.124 -7.325 -15.389) 17.080 4.386 ( 5.961 -7.621 14.289) 17.257 4.446 ( 1.385 -2.719 14.172) 14.497 4.639 ( 4.341 -6.185 -0.312) 7.563 4.804 ( -3.952 0.079 15.277) 15.780 4.908 ( 0.264 -11.853 9.971) 15.491 5.262 ( 3.344 12.248 -8.152) 15.089 5.315 ( 2.535 2.541 -3.303) 4.878 5.574 ( -9.126 18.614 1.834) 20.811 5.662 ( -2.738 8.919 -5.286) 10.723 5.803 ( -5.370 5.861 -4.495) 9.132 5.977 ( 8.066 -1.040 -4.983) 9.538 6.140 ( -10.534 12.399 6.253) 17.430 6.350 ( -2.012 6.738 3.885) 8.033 6.414 ( -3.914 -11.283 -2.483) 12.199 6.825 ( 7.783 6.115 -2.572) 10.227 6.860 ( 5.814 8.338 -10.945) 14.937 7.023 ( 1.058 2.284 -5.180) 5.759 7.113 ( -0.869 3.301 -2.157) 4.038 7.242 ( 9.545 3.733 5.397) 11.583 7.352 ( -11.773 0.864 -10.149) 15.568 7.552 ( -3.456 11.885 7.777) 14.618 7.768 ( -8.939 -0.512 2.191) 9.218 8.170 ( -5.493 6.436 0.008) 8.461 8.561 ( -5.062 -7.761 -5.482) 10.766 8.958 ( -3.593 -5.212 10.307) 12.096 9.174 ( -0.420 -0.732 1.854) 2.037 9.328 ( 5.134 -0.363 3.132) 6.025 9.660 ( 4.114 -1.413 -8.823) 9.837 9.889 ( 1.866 -2.524 4.944) 5.856 9.965 ( -2.238 -4.857 2.837) 6.054 10.065 ( 3.491 -4.077 2.766) 6.038 10.160 ( 4.667 -3.082 0.163) 5.595 10.309 ( -4.547 -8.931 -7.985) 12.814 10.400 ( -2.400 -5.258 -9.676) 11.271 10.967 ( -0.918 -4.877 10.952) 12.024 11.318 ( 1.580 -5.286 -4.590) 7.177 13.202 ( -1.389 -2.819 6.171) 6.925 13.488 ( -0.527 -4.899 -4.295) 6.536 13.620 ( 0.000 1.032 0.593) 1.191 13.651 ( 0.455 0.464 -0.839) 1.061 15.174 ( -3.304 -0.790 7.408) 8.150 15.701 ( 0.654 0.239 -15.059) 15.075 15.941 ( 1.630 1.035 2.084) 2.841 16.068 ( -0.168 4.687 -2.529) 5.328 16.397 ( 1.540 1.527 13.660) 13.831 16.665 ( 4.857 6.130 4.215) 8.884 16.861 ( 0.830 4.659 -4.026) 6.214 17.013 ( 1.858 1.694 -4.883) 5.492 18.443 ( -2.225 5.035 7.753) 9.508 18.905 ( -1.637 5.216 -10.650) 11.971 19.225 ( 1.799 3.146 1.780) 4.038 19.304 ( 1.548 4.315 -2.770) 5.356 22.451 ( 1.737 -22.773 4.474) 23.274 22.673 ( 5.733 -28.066 -3.919) 28.912 26.616 ( -15.705 -1.047 0.516) 15.749 26.645 ( -10.981 0.106 -0.555) 10.996 28.252 ( -7.695 1.087 1.707) 7.957 28.341 ( -8.622 1.577 -1.625) 8.914 29.426 ( 2.617 0.272 0.567) 2.691 29.442 ( -1.010 2.766 0.108) 2.946 30.094 ( 0.906 -0.946 0.737) 1.503 30.189 ( 3.858 -2.726 -2.913) 5.550 31.871 ( -1.121 -0.514 -1.062) 1.628 31.978 ( -0.156 -2.482 -6.096) 6.584 32.149 ( 0.238 4.958 6.566) 8.231 32.395 ( 0.123 3.340 -1.704) 3.751 33.375 ( 1.047 -7.289 15.599) 17.249 34.103 ( -3.243 3.312 -12.631) 13.454 35.619 ( 10.608 -11.259 2.206) 15.625 35.678 ( 10.904 -1.525 -0.361) 11.016 ======================= Grid point 116 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -0.000 10.154 19.615) 22.088 2.464 ( -0.000 20.672 27.410) 34.331 2.880 ( -0.000 9.856 -20.301) 22.567 2.975 ( -0.000 2.513 -6.022) 6.525 3.265 ( -0.000 13.064 0.091) 13.065 3.523 ( -0.000 18.081 -7.013) 19.393 3.690 ( 0.000 -0.479 -0.683) 0.834 4.385 ( 0.000 -14.447 -14.573) 20.520 4.428 ( -0.000 2.780 3.379) 4.375 4.473 ( 0.000 -2.140 13.824) 13.988 4.681 ( -0.000 6.247 13.201) 14.605 4.972 ( 0.000 -26.147 12.689) 29.063 5.070 ( -0.000 13.888 -2.797) 14.167 5.137 ( 0.000 -5.049 7.325) 8.896 5.190 ( -0.000 15.116 -0.434) 15.122 5.327 ( -0.000 6.170 -15.475) 16.660 5.642 ( 0.000 -0.636 3.516) 3.573 5.654 ( -0.000 11.664 5.543) 12.914 5.788 ( -0.000 9.767 9.234) 13.441 6.088 ( 0.000 -1.666 -13.412) 13.515 6.155 ( -0.000 12.201 11.587) 16.826 6.558 ( 0.000 -7.945 -7.561) 10.968 6.694 ( -0.000 18.963 -4.715) 19.540 6.838 ( -0.000 6.887 3.455) 7.705 6.933 ( -0.000 6.470 -1.424) 6.625 7.076 ( -0.000 6.157 -23.374) 24.171 7.160 ( -0.000 0.497 11.221) 11.232 7.414 ( 0.000 -1.375 -1.074) 1.745 7.428 ( -0.000 7.159 8.939) 11.453 7.655 ( 0.000 -3.610 -13.100) 13.588 8.093 ( 0.000 -2.103 3.086) 3.734 8.608 ( 0.000 -6.563 -11.031) 12.836 9.006 ( 0.000 -5.219 9.797) 11.100 9.167 ( -0.000 0.965 4.367) 4.473 9.363 ( -0.000 0.810 4.107) 4.186 9.736 ( 0.000 -2.783 -9.921) 10.304 9.946 ( 0.000 -2.756 6.821) 7.357 10.070 ( 0.000 -14.446 4.970) 15.277 10.135 ( 0.000 -1.986 4.227) 4.670 10.271 ( 0.000 -3.190 -2.146) 3.844 10.411 ( 0.000 -15.632 -8.041) 17.579 10.422 ( 0.000 -4.014 -11.882) 12.542 11.029 ( 0.000 -5.743 12.175) 13.461 11.411 ( 0.000 -6.711 -5.003) 8.371 13.228 ( 0.000 -3.063 6.757) 7.419 13.521 ( -0.000 0.028 -4.444) 4.444 13.623 ( 0.000 -1.869 0.532) 1.943 13.650 ( 0.000 -0.275 -0.269) 0.384 15.159 ( 0.000 -1.058 7.587) 7.660 15.703 ( -0.000 0.499 -16.467) 16.474 15.937 ( -0.000 1.211 2.241) 2.547 16.001 ( -0.000 4.865 -0.264) 4.872 16.389 ( -0.000 2.021 14.534) 14.674 16.583 ( -0.000 10.885 5.550) 12.218 16.830 ( -0.000 3.136 -5.643) 6.456 16.990 ( -0.000 4.915 -8.303) 9.649 18.355 ( -0.000 5.473 8.123) 9.795 18.820 ( -0.000 4.997 -10.002) 11.181 19.208 ( -0.000 3.361 1.278) 3.596 19.296 ( 0.000 -1.781 -3.255) 3.711 22.765 ( 0.000 -22.046 7.649) 23.335 23.140 ( 0.000 -34.794 -6.641) 35.422 26.475 ( -0.000 0.373 1.277) 1.331 26.544 ( -0.000 0.643 -1.304) 1.454 28.166 ( -0.000 1.477 1.453) 2.072 28.244 ( -0.000 2.047 -1.453) 2.510 29.392 ( -0.000 3.561 1.385) 3.821 29.448 ( 0.000 -0.117 -0.706) 0.715 30.118 ( 0.000 -1.414 1.686) 2.200 30.262 ( 0.000 -3.259 -3.740) 4.961 31.870 ( 0.000 -0.826 -0.110) 0.833 32.003 ( 0.000 -0.969 -4.167) 4.278 32.096 ( -0.000 2.737 3.578) 4.505 32.334 ( -0.000 6.269 -3.182) 7.031 33.479 ( 0.000 -7.871 13.502) 15.629 34.009 ( -0.000 7.434 -7.542) 10.590 35.819 ( 0.000 -5.038 1.739) 5.330 35.906 ( 0.000 -18.633 -1.250) 18.675 ======================= Grid point 123 (49/75) ======================= q-point: ( 0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -29.785 -0.000 10.266) 31.505 2.798 ( -14.318 -0.000 15.708) 21.254 3.122 ( 4.389 0.000 0.530) 4.421 3.216 ( -17.460 -0.000 -21.972) 28.064 3.564 ( -1.872 -0.000 1.111) 2.177 3.622 ( 3.623 0.000 -4.296) 5.620 3.739 ( -3.317 -0.000 15.359) 15.714 3.939 ( -7.290 -0.000 -4.716) 8.682 4.218 ( 3.224 0.000 8.728) 9.305 4.443 ( -3.555 -0.000 16.856) 17.227 4.623 ( -0.729 -0.000 0.205) 0.757 4.842 ( 4.881 0.000 2.640) 5.549 4.856 ( -2.053 -0.000 16.880) 17.005 5.358 ( 7.722 0.000 -15.382) 17.211 5.473 ( -5.773 -0.000 -6.880) 8.982 5.791 ( -9.119 -0.000 -2.257) 9.394 5.839 ( -8.390 -0.000 -22.934) 24.420 5.900 ( 5.246 0.000 1.533) 5.465 5.955 ( 8.341 0.000 -1.035) 8.405 6.170 ( 1.253 0.000 10.824) 10.896 6.258 ( -10.075 -0.000 -15.437) 18.433 6.519 ( -1.043 -0.000 16.352) 16.385 6.898 ( 8.782 0.000 -9.211) 12.727 6.947 ( 5.647 0.000 5.823) 8.111 6.970 ( 5.296 0.000 -6.971) 8.754 7.193 ( 0.347 0.000 -4.244) 4.258 7.308 ( -9.858 -0.000 1.968) 10.052 7.352 ( 1.180 0.000 -7.935) 8.022 7.697 ( -7.331 -0.000 5.346) 9.073 7.884 ( -3.650 -0.000 7.397) 8.248 8.294 ( -5.824 -0.000 8.589) 10.377 8.411 ( -3.735 -0.000 -10.517) 11.161 8.912 ( -5.455 -0.000 8.732) 10.296 9.120 ( -0.880 -0.000 1.628) 1.851 9.336 ( 5.437 0.000 1.967) 5.781 9.638 ( 2.609 0.000 -8.575) 8.963 9.850 ( -2.458 -0.000 2.165) 3.276 9.935 ( -4.658 -0.000 7.355) 8.706 9.978 ( 5.026 0.000 -1.217) 5.171 10.141 ( 5.072 0.000 -0.218) 5.076 10.162 ( -3.864 -0.000 -3.738) 5.376 10.350 ( -0.674 -0.000 -10.426) 10.447 10.899 ( -0.669 -0.000 10.566) 10.587 11.245 ( 1.154 0.000 -4.672) 4.812 13.163 ( -1.076 -0.000 5.280) 5.388 13.410 ( -0.465 -0.000 -3.159) 3.193 13.640 ( 0.290 0.000 0.140) 0.322 13.656 ( 0.336 0.000 -1.389) 1.429 15.163 ( -3.393 -0.000 7.644) 8.364 15.704 ( 0.746 0.000 -15.255) 15.273 15.955 ( 1.756 0.000 2.241) 2.847 16.140 ( 0.400 0.000 -4.882) 4.899 16.418 ( 1.552 0.000 13.837) 13.923 16.739 ( 7.457 0.000 2.369) 7.824 16.933 ( -1.973 -0.000 -2.270) 3.008 17.018 ( 1.259 0.000 -1.996) 2.360 18.505 ( -3.018 -0.000 7.644) 8.218 18.975 ( -0.955 -0.000 -11.661) 11.700 19.292 ( 0.305 0.000 3.243) 3.257 19.412 ( 2.190 0.000 -3.183) 3.864 22.093 ( 0.928 0.000 3.273) 3.402 22.265 ( 4.147 0.000 -3.237) 5.261 26.604 ( -14.058 -0.000 0.850) 14.084 26.647 ( -10.457 -0.000 -0.747) 10.483 28.267 ( -7.616 -0.000 1.782) 7.822 28.363 ( -8.450 -0.000 -1.803) 8.641 29.431 ( 2.817 0.000 1.206) 3.064 29.479 ( -1.532 -0.000 -0.459) 1.599 30.082 ( 0.547 0.000 0.247) 0.601 30.151 ( 3.526 0.000 -2.463) 4.301 31.867 ( -1.129 -0.000 -1.858) 2.174 31.937 ( -0.169 -0.000 -6.526) 6.528 32.241 ( 0.321 0.000 6.466) 6.474 32.416 ( 0.042 0.000 2.487) 2.487 33.276 ( 2.184 0.000 15.121) 15.278 34.134 ( -2.840 -0.000 -17.576) 17.804 35.481 ( 9.510 0.000 6.116) 11.307 35.661 ( 9.161 0.000 -1.757) 9.328 ======================= Grid point 125 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -0.000 3.705 17.926) 18.304 2.679 ( -0.000 1.832 19.347) 19.433 3.033 ( -0.000 2.788 -23.590) 23.754 3.247 ( 0.000 -7.260 -6.017) 9.430 3.401 ( -0.000 13.656 12.648) 18.613 3.512 ( -0.000 5.321 2.997) 6.107 3.821 ( -0.000 5.342 -9.203) 10.641 4.036 ( 0.000 -24.444 -5.456) 25.046 4.307 ( 0.000 -8.314 12.187) 14.753 4.419 ( 0.000 -1.414 18.254) 18.308 4.603 ( 0.000 -0.647 0.599) 0.882 4.814 ( -0.000 3.429 16.868) 17.213 4.882 ( -0.000 1.398 5.508) 5.683 5.343 ( -0.000 6.202 -7.001) 9.353 5.447 ( -0.000 2.605 -21.850) 22.005 5.625 ( -0.000 5.051 -2.957) 5.853 5.726 ( -0.000 10.803 -15.054) 18.529 5.905 ( -0.000 6.519 3.071) 7.206 6.050 ( 0.000 -1.445 -4.011) 4.264 6.157 ( -0.000 5.598 9.388) 10.930 6.229 ( 0.000 -9.812 -6.563) 11.805 6.458 ( -0.000 8.852 11.347) 14.392 6.959 ( -0.000 3.143 4.086) 5.155 6.983 ( -0.000 0.014 -12.807) 12.807 7.011 ( 0.000 -0.309 1.937) 1.962 7.197 ( -0.000 2.944 -21.209) 21.412 7.201 ( -0.000 1.748 5.971) 6.222 7.394 ( 0.000 -0.177 -0.928) 0.944 7.605 ( -0.000 1.771 5.802) 6.067 7.757 ( -0.000 11.965 9.087) 15.025 8.199 ( -0.000 5.437 2.434) 5.957 8.426 ( 0.000 -6.155 -8.521) 10.511 8.875 ( 0.000 -2.077 10.623) 10.824 9.136 ( 0.000 -3.222 1.397) 3.512 9.386 ( -0.000 0.747 2.172) 2.297 9.674 ( 0.000 -1.622 -7.817) 7.983 9.845 ( 0.000 -3.395 2.903) 4.467 9.899 ( 0.000 -0.890 7.927) 7.977 10.090 ( 0.000 -7.655 -7.453) 10.684 10.108 ( 0.000 -0.255 2.077) 2.093 10.198 ( 0.000 -1.936 -1.097) 2.225 10.352 ( 0.000 -1.365 -11.628) 11.708 10.913 ( 0.000 -2.697 11.346) 11.662 11.276 ( 0.000 -3.158 -4.875) 5.809 13.163 ( 0.000 -1.480 5.675) 5.864 13.428 ( 0.000 -3.370 -3.556) 4.900 13.635 ( -0.000 1.013 0.086) 1.016 13.659 ( -0.000 0.106 -1.319) 1.324 15.138 ( 0.000 -0.466 8.084) 8.097 15.711 ( -0.000 0.143 -17.171) 17.172 15.964 ( -0.000 0.608 2.752) 2.818 16.122 ( -0.000 3.274 -4.006) 5.174 16.427 ( -0.000 0.825 15.164) 15.186 16.790 ( -0.000 4.485 6.191) 7.645 16.891 ( -0.000 1.361 -6.000) 6.152 17.032 ( 0.000 -0.376 -3.144) 3.167 18.466 ( -0.000 2.001 7.915) 8.164 18.948 ( -0.000 3.059 -11.789) 12.179 19.270 ( -0.000 3.015 3.139) 4.353 19.394 ( -0.000 5.197 -3.498) 6.264 22.208 ( 0.000 -15.668 4.119) 16.201 22.418 ( 0.000 -17.511 -3.833) 17.925 26.482 ( -0.000 0.140 1.379) 1.386 26.556 ( -0.000 0.245 -1.388) 1.409 28.195 ( -0.000 0.652 1.667) 1.790 28.285 ( -0.000 0.953 -1.700) 1.949 29.454 ( -0.000 0.364 0.622) 0.721 29.457 ( -0.000 1.222 0.560) 1.344 30.090 ( 0.000 -0.626 0.786) 1.005 30.191 ( 0.000 -1.698 -3.017) 3.462 31.858 ( 0.000 -0.098 -1.624) 1.627 31.948 ( 0.000 -1.754 -6.655) 6.882 32.213 ( -0.000 4.226 6.914) 8.103 32.418 ( -0.000 0.335 0.986) 1.041 33.318 ( 0.000 -3.582 14.745) 15.173 34.105 ( -0.000 1.095 -15.306) 15.345 35.597 ( 0.000 -5.652 4.707) 7.355 35.747 ( 0.000 -1.229 -1.609) 2.024 ======================= Grid point 166 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 0.000 -21.053) 21.053 1.410 ( 0.000 0.000 21.053) 21.053 1.478 ( 0.000 0.000 -31.028) 31.028 1.478 ( 0.000 0.000 31.028) 31.028 2.253 ( 0.000 0.000 -12.682) 12.682 2.253 ( 0.000 0.000 12.682) 12.682 3.544 ( 0.000 0.000 -72.980) 72.980 3.544 ( 0.000 0.000 72.980) 72.980 4.092 ( 0.000 0.000 -1.769) 1.769 4.092 ( 0.000 0.000 1.769) 1.769 4.253 ( 0.000 0.000 -8.151) 8.151 4.253 ( 0.000 0.000 8.151) 8.151 4.845 ( 0.000 0.000 -13.085) 13.085 4.845 ( 0.000 0.000 13.085) 13.085 5.375 ( 0.000 0.000 -16.875) 16.875 5.375 ( 0.000 0.000 16.875) 16.875 5.734 ( 0.000 0.000 -22.979) 22.979 5.734 ( 0.000 0.000 22.979) 22.979 5.901 ( 0.000 0.000 -25.548) 25.548 5.901 ( 0.000 0.000 25.548) 25.548 6.406 ( 0.000 0.000 -3.684) 3.684 6.406 ( 0.000 0.000 3.684) 3.684 6.456 ( 0.000 0.000 -36.036) 36.036 6.456 ( 0.000 0.000 36.036) 36.036 7.210 ( 0.000 0.000 -18.720) 18.720 7.210 ( 0.000 0.000 18.720) 18.720 7.404 ( 0.000 0.000 -6.058) 6.058 7.404 ( 0.000 0.000 6.058) 6.058 7.479 ( 0.000 0.000 -4.822) 4.822 7.479 ( 0.000 0.000 4.822) 4.822 8.679 ( 0.000 0.000 -15.182) 15.182 8.679 ( 0.000 0.000 15.182) 15.182 9.572 ( 0.000 0.000 -13.035) 13.035 9.572 ( 0.000 0.000 13.035) 13.035 9.652 ( 0.000 0.000 -6.730) 6.730 9.652 ( 0.000 0.000 6.730) 6.730 10.300 ( 0.000 0.000 -5.630) 5.630 10.300 ( 0.000 0.000 5.630) 5.630 10.461 ( 0.000 0.000 -8.592) 8.592 10.461 ( 0.000 0.000 8.592) 8.592 11.312 ( 0.000 0.000 -22.148) 22.148 11.312 ( 0.000 0.000 22.148) 22.148 11.570 ( 0.000 0.000 -10.384) 10.384 11.570 ( 0.000 0.000 10.384) 10.384 13.192 ( 0.000 0.000 -1.103) 1.103 13.192 ( 0.000 0.000 1.103) 1.103 13.388 ( 0.000 0.000 -3.046) 3.046 13.388 ( 0.000 0.000 3.046) 3.046 15.387 ( 0.000 0.000 -10.748) 10.748 15.387 ( 0.000 0.000 10.748) 10.748 16.035 ( 0.000 0.000 -7.351) 7.351 16.035 ( 0.000 0.000 7.351) 7.351 16.513 ( 0.000 0.000 -9.869) 9.869 16.513 ( 0.000 0.000 9.869) 9.869 16.609 ( 0.000 0.000 -1.359) 1.359 16.609 ( 0.000 0.000 1.359) 1.359 18.647 ( 0.000 0.000 -3.791) 3.791 18.647 ( 0.000 0.000 3.791) 3.791 18.905 ( 0.000 0.000 -8.597) 8.597 18.905 ( 0.000 0.000 8.597) 8.597 23.775 ( 0.000 0.000 -3.034) 3.034 23.775 ( 0.000 0.000 3.034) 3.034 26.475 ( 0.000 0.000 -1.381) 1.381 26.475 ( 0.000 0.000 1.381) 1.381 28.120 ( 0.000 0.000 -1.571) 1.571 28.120 ( 0.000 0.000 1.571) 1.571 29.276 ( 0.000 0.000 -4.735) 4.735 29.276 ( 0.000 0.000 4.735) 4.735 30.194 ( 0.000 0.000 -4.361) 4.361 30.194 ( 0.000 0.000 4.361) 4.361 31.972 ( 0.000 0.000 -1.136) 1.136 31.972 ( 0.000 0.000 1.136) 1.136 32.259 ( 0.000 0.000 -3.360) 3.360 32.259 ( 0.000 0.000 3.360) 3.360 32.543 ( 0.000 0.000 -3.133) 3.133 32.543 ( 0.000 0.000 3.133) 3.133 37.558 ( 0.000 0.000 -0.866) 0.866 37.558 ( 0.000 0.000 0.866) 0.866 ======================= Grid point 168 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 9.646 -16.331 -24.642) 31.096 1.685 ( 9.646 -16.331 24.642) 31.096 1.849 ( 34.950 -9.001 -12.346) 38.143 1.849 ( 34.950 -9.001 12.346) 38.143 2.426 ( 15.906 -5.248 -13.915) 21.775 2.426 ( 15.906 -5.248 13.915) 21.775 3.648 ( 8.300 -7.306 -60.054) 61.064 3.648 ( 8.300 -7.306 60.054) 61.064 4.190 ( 3.189 -2.534 -3.759) 5.543 4.190 ( 3.189 -2.534 3.759) 5.543 4.244 ( 4.893 -0.473 -4.331) 6.551 4.244 ( 4.893 -0.473 4.331) 6.551 4.902 ( 5.349 -0.840 -12.169) 13.319 4.902 ( 5.349 -0.840 12.169) 13.319 5.441 ( -0.341 -5.957 -14.514) 15.692 5.441 ( -0.341 -5.957 14.514) 15.692 5.537 ( -10.647 3.435 -5.484) 12.459 5.537 ( -10.647 3.435 5.484) 12.459 6.036 ( 10.853 5.377 -4.442) 12.901 6.036 ( 10.853 5.377 4.442) 12.901 6.190 ( -6.281 -0.692 -17.466) 18.574 6.190 ( -6.281 -0.692 17.466) 18.574 6.780 ( 19.499 5.233 -14.391) 24.793 6.780 ( 19.499 5.233 14.391) 24.793 7.209 ( -1.987 -1.321 -13.033) 13.249 7.209 ( -1.987 -1.321 13.033) 13.249 7.334 ( -3.695 -2.346 -4.586) 6.340 7.334 ( -3.695 -2.346 4.586) 6.340 7.575 ( 1.396 -8.232 -7.227) 11.043 7.575 ( 1.396 -8.232 7.227) 11.043 8.687 ( 1.784 -0.045 -16.475) 16.571 8.687 ( 1.784 -0.045 16.475) 16.571 9.472 ( -3.941 15.994 -6.930) 17.871 9.472 ( -3.941 15.994 6.930) 17.871 9.577 ( 0.010 4.175 -11.200) 11.952 9.577 ( 0.010 4.175 11.200) 11.952 10.218 ( -10.000 0.187 -2.636) 10.344 10.218 ( -10.000 0.187 2.636) 10.344 10.403 ( -2.581 1.535 -9.501) 9.964 10.403 ( -2.581 1.535 9.501) 9.964 11.273 ( 0.759 9.597 -17.248) 19.753 11.273 ( 0.759 9.597 17.248) 19.753 11.548 ( -1.419 0.395 -9.639) 9.751 11.548 ( -1.419 0.395 9.639) 9.751 13.235 ( 1.742 -3.366 -0.511) 3.824 13.235 ( 1.742 -3.366 0.511) 3.824 13.446 ( 0.155 -7.472 -3.830) 8.398 13.446 ( 0.155 -7.472 3.830) 8.398 15.401 ( 1.726 -0.408 -9.296) 9.463 15.401 ( 1.726 -0.408 9.296) 9.463 16.024 ( 0.270 2.246 -7.146) 7.495 16.024 ( 0.270 2.246 7.146) 7.495 16.464 ( -3.367 1.458 -6.528) 7.488 16.464 ( -3.367 1.458 6.528) 7.488 16.572 ( 3.341 9.147 -0.850) 9.775 16.572 ( 3.341 9.147 0.850) 9.775 18.603 ( 1.493 5.216 -2.183) 5.848 18.603 ( 1.493 5.216 2.183) 5.848 19.021 ( -1.175 -13.264 -5.172) 14.285 19.021 ( -1.175 -13.264 5.172) 14.285 23.470 ( -31.486 -6.412 -20.351) 38.035 23.470 ( -31.486 -6.412 20.351) 38.035 26.798 ( 31.392 2.920 -12.859) 34.049 26.798 ( 31.392 2.920 12.859) 34.049 28.227 ( 10.927 0.027 -2.503) 11.210 28.227 ( 10.927 0.027 2.503) 11.210 29.308 ( 2.175 -1.480 -6.346) 6.870 29.308 ( 2.175 -1.480 6.346) 6.870 30.163 ( -3.672 -0.131 -3.431) 5.027 30.163 ( -3.672 -0.131 3.431) 5.027 31.966 ( 0.681 1.578 -1.111) 2.046 31.966 ( 0.681 1.578 1.111) 2.046 32.182 ( 1.430 7.310 -5.254) 9.115 32.182 ( 1.430 7.310 5.254) 9.115 32.817 ( 6.484 -25.224 -5.939) 26.712 32.817 ( 6.484 -25.224 5.939) 26.712 37.075 ( -37.560 16.077 -15.001) 43.523 37.075 ( -37.560 16.077 15.001) 43.523 ======================= Grid point 170 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 10.727 -11.680 -20.203) 25.684 2.051 ( 10.727 -11.680 20.203) 25.684 2.560 ( 29.139 -12.736 -4.097) 32.063 2.560 ( 29.139 -12.736 4.097) 32.063 2.875 ( 25.314 -8.472 -14.555) 30.404 2.875 ( 25.314 -8.472 14.555) 30.404 3.963 ( 0.340 -16.581 -17.552) 24.148 3.963 ( 0.340 -16.581 17.552) 24.148 4.240 ( 17.434 1.660 -21.707) 27.891 4.240 ( 17.434 1.660 21.707) 27.891 4.505 ( 12.188 -9.554 -2.136) 15.634 4.505 ( 12.188 -9.554 2.136) 15.634 4.931 ( -6.124 4.931 -6.255) 10.047 4.931 ( -6.124 4.931 6.255) 10.047 5.298 ( 2.374 2.992 -4.460) 5.872 5.298 ( 2.374 2.992 4.460) 5.872 5.648 ( 5.211 -8.976 -17.870) 20.666 5.648 ( 5.211 -8.976 17.870) 20.666 5.994 ( -4.452 -0.663 -15.758) 16.388 5.994 ( -4.452 -0.663 15.758) 16.388 6.285 ( 11.676 4.888 -3.569) 13.151 6.285 ( 11.676 4.888 3.569) 13.151 6.809 ( -4.120 6.427 -4.243) 8.734 6.809 ( -4.120 6.427 4.243) 8.734 7.115 ( -3.961 3.544 -0.913) 5.393 7.115 ( -3.961 3.544 0.913) 5.393 7.450 ( 7.467 3.784 -7.072) 10.958 7.450 ( 7.467 3.784 7.072) 10.958 7.707 ( 7.403 -5.503 -22.505) 24.322 7.707 ( 7.403 -5.503 22.505) 24.322 8.757 ( 2.728 -3.422 -18.093) 18.614 8.757 ( 2.728 -3.422 18.093) 18.614 9.166 ( -1.410 19.369 -2.173) 19.541 9.166 ( -1.410 19.369 2.173) 19.541 9.507 ( -3.659 2.841 -11.534) 12.430 9.507 ( -3.659 2.841 11.534) 12.430 10.011 ( -13.212 0.436 -2.570) 13.467 10.011 ( -13.212 0.436 2.570) 13.467 10.350 ( -0.470 3.328 -8.883) 9.498 10.350 ( -0.470 3.328 8.883) 9.498 11.085 ( -7.273 9.831 -10.928) 16.400 11.085 ( -7.273 9.831 10.928) 16.400 11.516 ( -1.773 0.813 -8.325) 8.550 11.516 ( -1.773 0.813 8.325) 8.550 13.321 ( 2.486 -4.289 -0.706) 5.008 13.321 ( 2.486 -4.289 0.706) 5.008 13.541 ( -0.758 -7.241 -1.486) 7.430 13.541 ( -0.758 -7.241 1.486) 7.430 15.465 ( 4.828 -1.031 -7.242) 8.764 15.465 ( 4.828 -1.031 7.242) 8.764 15.987 ( 0.126 3.744 -6.438) 7.449 15.987 ( 0.126 3.744 6.438) 7.449 16.407 ( -3.001 -0.658 -5.755) 6.524 16.407 ( -3.001 -0.658 5.755) 6.524 16.501 ( 1.716 7.832 -2.955) 8.545 16.501 ( 1.716 7.832 2.955) 8.545 18.587 ( 2.730 3.372 -5.171) 6.750 18.587 ( 2.730 3.372 5.171) 6.750 19.124 ( -1.684 -6.484 -8.489) 10.814 19.124 ( -1.684 -6.484 8.489) 10.814 23.103 ( -25.287 -12.172 -17.923) 33.299 23.103 ( -25.287 -12.172 17.923) 33.299 27.260 ( 30.631 7.370 -19.455) 37.029 27.260 ( 30.631 7.370 19.455) 37.029 28.406 ( 7.940 -1.364 -4.403) 9.181 28.406 ( 7.940 -1.364 4.403) 9.181 29.367 ( 4.997 1.903 -7.111) 8.897 29.367 ( 4.997 1.903 7.111) 8.897 30.079 ( -7.239 -0.985 -1.756) 7.514 30.079 ( -7.239 -0.985 1.756) 7.514 31.964 ( 1.108 0.869 -0.734) 1.588 31.964 ( 1.108 0.869 0.734) 1.588 32.147 ( 2.214 3.826 -4.673) 6.433 32.147 ( 2.214 3.826 4.673) 6.433 33.286 ( 10.218 -24.110 -6.750) 27.042 33.286 ( 10.218 -24.110 6.750) 27.042 36.170 ( -41.614 15.359 -27.642) 52.265 36.170 ( -41.614 15.359 27.642) 52.265 ======================= Grid point 172 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 11.273 -5.691 -14.786) 19.445 2.341 ( 11.273 -5.691 14.786) 19.445 3.089 ( 16.673 -8.034 -4.134) 18.964 3.089 ( 16.673 -8.034 4.134) 18.964 3.386 ( 20.945 -7.907 -16.557) 27.845 3.386 ( 20.945 -7.907 16.557) 27.845 3.993 ( -8.176 -10.188 -8.783) 15.741 3.993 ( -8.176 -10.188 8.783) 15.741 4.593 ( -10.799 5.235 -0.847) 12.031 4.593 ( -10.799 5.235 0.847) 12.031 4.747 ( 17.624 -4.921 -5.167) 19.014 4.747 ( 17.624 -4.921 5.167) 19.014 4.880 ( 16.789 -12.523 -5.446) 21.642 4.880 ( 16.789 -12.523 5.446) 21.642 5.472 ( 9.108 -6.600 -8.449) 14.068 5.472 ( 9.108 -6.600 8.449) 14.068 5.781 ( 4.347 3.616 -7.519) 9.408 5.781 ( 4.347 3.616 7.519) 9.408 6.019 ( 1.905 -4.815 -18.494) 19.205 6.019 ( 1.905 -4.815 18.494) 19.205 6.351 ( 4.108 3.693 -2.578) 6.096 6.351 ( 4.108 3.693 2.578) 6.096 6.646 ( -6.352 -1.386 -7.497) 9.924 6.646 ( -6.352 -1.386 7.497) 9.924 6.987 ( -2.621 11.416 -7.601) 13.963 6.987 ( -2.621 11.416 7.601) 13.963 7.371 ( -0.653 10.689 -7.344) 12.985 7.371 ( -0.653 10.689 7.344) 12.985 7.966 ( 13.486 -2.493 -16.580) 21.518 7.966 ( 13.486 -2.493 16.580) 21.518 8.732 ( 0.097 11.957 -4.009) 12.611 8.732 ( 0.097 11.957 4.009) 12.611 9.077 ( 1.447 -4.605 -4.270) 6.444 9.077 ( 1.447 -4.605 4.270) 6.444 9.391 ( -4.672 3.569 -8.863) 10.636 9.391 ( -4.672 3.569 8.863) 10.636 9.790 ( -10.624 1.704 -2.669) 11.085 9.790 ( -10.624 1.704 2.669) 11.085 10.313 ( 0.954 2.044 -10.190) 10.436 10.313 ( 0.954 2.044 10.190) 10.436 10.815 ( -11.108 7.308 -9.682) 16.448 10.815 ( -11.108 7.308 9.682) 16.448 11.470 ( -2.164 0.839 -5.388) 5.866 11.470 ( -2.164 0.839 5.388) 5.866 13.418 ( 2.314 -4.187 -1.434) 4.994 13.418 ( 2.314 -4.187 1.434) 4.994 13.598 ( -0.943 -3.943 -1.787) 4.431 13.598 ( -0.943 -3.943 1.787) 4.431 15.580 ( 7.381 -0.502 -6.010) 9.531 15.580 ( 7.381 -0.502 6.010) 9.531 15.940 ( -1.028 2.592 -6.568) 7.135 15.940 ( -1.028 2.592 6.568) 7.135 16.340 ( -6.894 -1.617 -5.006) 8.672 16.340 ( -6.894 -1.617 5.006) 8.672 16.465 ( 3.431 4.427 -2.466) 6.119 16.465 ( 3.431 4.427 2.466) 6.119 18.595 ( 2.476 2.528 -5.044) 6.162 18.595 ( 2.476 2.528 5.044) 6.162 19.150 ( -0.706 -1.658 -7.539) 7.751 19.150 ( -0.706 -1.658 7.539) 7.751 22.921 ( -14.495 -10.086 -9.566) 20.084 22.921 ( -14.495 -10.086 9.566) 20.084 27.626 ( 24.905 8.237 -15.291) 30.363 27.626 ( 24.905 8.237 15.291) 30.363 28.505 ( -0.950 -4.775 -4.349) 6.528 28.505 ( -0.950 -4.775 4.349) 6.528 29.439 ( 9.251 4.637 -5.736) 11.831 29.439 ( 9.251 4.637 5.736) 11.831 29.944 ( -10.647 -1.312 -0.262) 10.731 29.944 ( -10.647 -1.312 0.262) 10.731 31.980 ( 0.905 -0.564 -0.259) 1.098 31.980 ( 0.905 -0.564 0.259) 1.098 32.143 ( 1.874 2.442 -3.549) 4.698 32.143 ( 1.874 2.442 3.549) 4.698 33.750 ( 13.658 -17.504 -6.535) 23.144 33.750 ( 13.658 -17.504 6.535) 23.144 35.366 ( -33.723 11.614 -24.932) 43.517 35.366 ( -33.723 11.614 24.932) 43.517 ======================= Grid point 174 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 6.479 -2.902 -5.354) 8.892 2.559 ( 6.479 -2.902 5.354) 8.892 3.263 ( 1.913 1.481 -2.185) 3.260 3.263 ( 1.913 1.481 2.185) 3.260 3.788 ( 12.363 -11.791 -15.408) 23.006 3.788 ( 12.363 -11.791 15.408) 23.006 4.011 ( 1.150 2.666 -11.539) 11.898 4.011 ( 1.150 2.666 11.539) 11.898 4.282 ( -12.956 3.448 -2.902) 13.718 4.282 ( -12.956 3.448 2.902) 13.718 5.119 ( 11.430 -10.353 -3.666) 15.852 5.119 ( 11.430 -10.353 3.666) 15.852 5.278 ( 6.152 -13.869 -2.068) 15.313 5.278 ( 6.152 -13.869 2.068) 15.313 5.543 ( -0.324 14.312 -8.811) 16.810 5.543 ( -0.324 14.312 8.811) 16.810 5.827 ( 6.140 -4.674 -9.722) 12.412 5.827 ( 6.140 -4.674 9.722) 12.412 6.006 ( -4.983 3.988 -13.571) 14.997 6.006 ( -4.983 3.988 13.571) 14.997 6.410 ( 3.084 -7.076 -2.851) 8.229 6.410 ( 3.084 -7.076 2.851) 8.229 6.676 ( -4.930 10.605 -7.802) 14.058 6.676 ( -4.930 10.605 7.802) 14.058 6.814 ( 7.596 -4.526 -12.805) 15.561 6.814 ( 7.596 -4.526 12.805) 15.561 7.211 ( -4.797 8.280 -15.324) 18.067 7.211 ( -4.797 8.280 15.324) 18.067 8.156 ( 5.958 -0.540 -7.836) 9.858 8.156 ( 5.958 -0.540 7.836) 9.858 8.589 ( -0.661 6.575 -3.209) 7.346 8.589 ( -0.661 6.575 3.209) 7.346 9.172 ( -0.203 -6.174 -3.057) 6.892 9.172 ( -0.203 -6.174 3.057) 6.892 9.281 ( -2.175 4.093 -3.365) 5.728 9.281 ( -2.175 4.093 3.365) 5.728 9.653 ( -3.369 0.571 -1.862) 3.891 9.653 ( -3.369 0.571 1.862) 3.891 10.354 ( 4.554 -1.304 -10.506) 11.524 10.354 ( 4.554 -1.304 10.506) 11.524 10.557 ( -9.359 4.656 -9.778) 14.313 10.557 ( -9.359 4.656 9.778) 14.313 11.434 ( -0.931 0.323 -1.835) 2.083 11.434 ( -0.931 0.323 1.835) 2.083 13.489 ( 1.013 -1.934 -1.082) 2.437 13.489 ( 1.013 -1.934 1.082) 2.437 13.615 ( -0.447 -0.999 -1.415) 1.789 13.615 ( -0.447 -0.999 1.415) 1.789 15.705 ( 6.221 0.089 -4.355) 7.594 15.705 ( 6.221 0.089 4.355) 7.594 15.881 ( -3.115 0.755 -5.312) 6.204 15.881 ( -3.115 0.755 5.312) 6.204 16.258 ( -3.458 -0.560 -1.967) 4.018 16.258 ( -3.458 -0.560 1.967) 4.018 16.474 ( 1.353 1.125 -0.687) 1.889 16.474 ( 1.353 1.125 0.687) 1.889 18.600 ( 0.942 1.062 -2.053) 2.496 18.600 ( 0.942 1.062 2.053) 2.496 19.155 ( -0.036 -0.270 -2.865) 2.878 19.155 ( -0.036 -0.270 2.865) 2.878 22.852 ( -4.699 -3.701 -2.861) 6.630 22.852 ( -4.699 -3.701 2.861) 6.630 27.858 ( 11.258 4.314 -6.172) 13.545 27.858 ( 11.258 4.314 6.172) 13.545 28.511 ( -3.482 -3.424 -2.053) 5.298 28.511 ( -3.482 -3.424 2.053) 5.298 29.570 ( 12.460 3.651 -4.248) 13.661 29.570 ( 12.460 3.651 4.248) 13.661 29.765 ( -12.634 -1.873 -2.391) 12.994 29.765 ( -12.634 -1.873 2.391) 12.994 32.000 ( 0.321 -0.599 -0.233) 0.718 32.000 ( 0.321 -0.599 0.233) 0.718 32.143 ( 0.745 1.037 -1.464) 1.942 32.143 ( 0.745 1.037 1.464) 1.942 34.196 ( 17.155 -11.606 -9.281) 22.696 34.196 ( 17.155 -11.606 9.281) 22.696 34.746 ( -23.925 9.633 -16.369) 30.548 34.746 ( -23.925 9.633 16.369) 30.548 ======================= Grid point 186 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 18.665 0.000 -24.930) 31.143 1.833 ( 18.665 0.000 24.930) 31.143 2.369 ( 31.269 0.000 -0.157) 31.269 2.369 ( 31.269 0.000 0.157) 31.269 2.788 ( 27.651 0.000 -27.274) 38.839 2.788 ( 27.651 0.000 27.274) 38.839 3.710 ( 3.992 0.000 -21.848) 22.210 3.710 ( 3.992 0.000 21.848) 22.210 4.299 ( 12.524 0.000 -3.182) 12.922 4.299 ( 12.524 0.000 3.182) 12.922 4.446 ( 18.019 0.000 -14.253) 22.974 4.446 ( 18.019 0.000 14.253) 22.974 4.940 ( -1.552 -0.000 -10.397) 10.512 4.940 ( -1.552 -0.000 10.397) 10.512 5.391 ( -7.735 -0.000 -2.840) 8.240 5.391 ( -7.735 -0.000 2.840) 8.240 5.477 ( 8.666 0.000 -10.999) 14.003 5.477 ( 8.666 0.000 10.999) 14.003 5.965 ( -7.369 -0.000 -15.635) 17.284 5.965 ( -7.369 -0.000 15.635) 17.284 6.406 ( 15.548 0.000 -5.335) 16.437 6.406 ( 15.548 0.000 5.335) 16.437 6.910 ( -12.562 -0.000 -2.776) 12.865 6.910 ( -12.562 -0.000 2.776) 12.865 7.247 ( -0.546 -0.000 -12.874) 12.886 7.247 ( -0.546 -0.000 12.874) 12.886 7.342 ( 15.110 0.000 -8.622) 17.397 7.342 ( 15.110 0.000 8.622) 17.397 7.589 ( 9.728 0.000 -4.529) 10.730 7.589 ( 9.728 0.000 4.529) 10.730 8.707 ( 0.694 0.000 -13.160) 13.178 8.707 ( 0.694 0.000 13.160) 13.178 9.455 ( -6.468 -0.000 -11.015) 12.774 9.455 ( -6.468 -0.000 11.015) 12.774 9.625 ( -1.479 -0.000 -4.286) 4.534 9.625 ( -1.479 -0.000 4.286) 4.534 9.989 ( -14.353 -0.000 -3.243) 14.715 9.989 ( -14.353 -0.000 3.243) 14.715 10.404 ( 0.064 0.000 -9.383) 9.384 10.404 ( 0.064 0.000 9.383) 9.384 11.271 ( -10.531 -0.000 -11.282) 15.433 11.271 ( -10.531 -0.000 11.282) 15.433 11.483 ( -5.004 -0.000 -4.588) 6.789 11.483 ( -5.004 -0.000 4.588) 6.789 13.254 ( 2.950 0.000 -0.036) 2.950 13.254 ( 2.950 0.000 0.036) 2.950 13.416 ( 1.880 0.000 -0.125) 1.885 13.416 ( 1.880 0.000 0.125) 1.885 15.445 ( 4.240 0.000 -4.117) 5.910 15.445 ( 4.240 0.000 4.117) 5.910 16.049 ( 0.720 0.000 -8.056) 8.088 16.049 ( 0.720 0.000 8.056) 8.088 16.389 ( -5.632 -0.000 -8.576) 10.259 16.389 ( -5.632 -0.000 8.576) 10.259 16.708 ( 3.434 0.000 -0.983) 3.572 16.708 ( 3.434 0.000 0.983) 3.572 18.682 ( 2.150 0.000 -2.992) 3.685 18.682 ( 2.150 0.000 2.992) 3.685 18.938 ( 3.696 0.000 -7.570) 8.424 18.938 ( 3.696 0.000 7.570) 8.424 22.868 ( -29.656 -0.000 -14.034) 32.809 22.868 ( -29.656 -0.000 14.034) 32.809 27.375 ( 31.911 0.000 -27.081) 41.854 27.375 ( 31.911 0.000 27.081) 41.854 28.381 ( 4.245 0.000 -6.258) 7.562 28.381 ( 4.245 0.000 6.258) 7.562 29.400 ( 9.567 0.000 -3.269) 10.110 29.400 ( 9.567 0.000 3.269) 10.110 30.072 ( -7.146 -0.000 -1.862) 7.384 30.072 ( -7.146 -0.000 1.862) 7.384 31.988 ( 0.654 0.000 -1.261) 1.420 31.988 ( 0.654 0.000 1.261) 1.420 32.266 ( 0.564 0.000 -4.653) 4.687 32.266 ( 0.564 0.000 4.653) 4.687 32.830 ( 16.437 0.000 -5.832) 17.441 32.830 ( 16.437 0.000 5.832) 17.441 36.393 ( -49.144 -0.000 -30.667) 57.927 36.393 ( -49.144 -0.000 30.667) 57.927 ======================= Grid point 188 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 18.725 -4.771 -18.957) 27.069 2.200 ( 18.725 -4.771 18.957) 27.069 2.890 ( 26.509 -5.289 -4.158) 27.349 2.890 ( 26.509 -5.289 4.158) 27.349 3.241 ( 23.326 -4.372 -31.932) 39.785 3.241 ( 23.326 -4.372 31.932) 39.785 3.747 ( -4.647 -5.497 -2.441) 7.601 3.747 ( -4.647 -5.497 2.441) 7.601 4.526 ( 11.042 -0.607 -2.215) 11.278 4.526 ( 11.042 -0.607 2.215) 11.278 4.755 ( 3.444 4.471 -5.727) 8.040 4.755 ( 3.444 4.471 5.727) 8.040 4.894 ( 12.710 0.637 -12.501) 17.839 4.894 ( 12.710 0.637 12.501) 17.839 5.352 ( 4.879 -2.173 -3.618) 6.451 5.352 ( 4.879 -2.173 3.618) 6.451 5.716 ( 13.556 -5.999 -6.638) 16.242 5.716 ( 13.556 -5.999 6.638) 16.242 5.885 ( -3.431 -1.910 -12.117) 12.737 5.885 ( -3.431 -1.910 12.117) 12.737 6.562 ( 2.436 4.446 -6.543) 8.277 6.562 ( 2.436 4.446 6.543) 8.277 6.649 ( -9.869 3.975 -5.346) 11.907 6.649 ( -9.869 3.975 5.346) 11.907 7.187 ( 0.226 5.648 -17.195) 18.101 7.187 ( 0.226 5.648 17.195) 18.101 7.498 ( -0.339 -3.473 -9.153) 9.795 7.498 ( -0.339 -3.473 9.153) 9.795 7.887 ( 17.957 -1.476 -11.164) 21.196 7.887 ( 17.957 -1.476 11.164) 21.196 8.733 ( 0.245 -3.852 -13.107) 13.664 8.733 ( 0.245 -3.852 13.107) 13.664 9.293 ( -5.692 8.109 -6.017) 11.592 9.293 ( -5.692 8.109 6.017) 11.592 9.535 ( -1.192 8.338 -4.909) 9.749 9.535 ( -1.192 8.338 4.909) 9.749 9.793 ( -10.775 -1.806 -3.362) 11.431 9.793 ( -10.775 -1.806 3.362) 11.431 10.379 ( -1.209 2.437 -8.269) 8.705 10.379 ( -1.209 2.437 8.269) 8.705 10.969 ( -18.127 4.788 -5.096) 19.429 10.969 ( -18.127 4.788 5.096) 19.429 11.413 ( -6.684 -3.806 -5.019) 9.184 11.413 ( -6.684 -3.806 5.019) 9.184 13.317 ( 2.401 -2.562 -1.446) 3.798 13.317 ( 2.401 -2.562 1.446) 3.798 13.482 ( 2.311 -3.492 -0.697) 4.245 13.482 ( 2.311 -3.492 0.697) 4.245 15.546 ( 6.697 -1.127 -2.639) 7.286 15.546 ( 6.697 -1.127 2.639) 7.286 16.032 ( -0.973 2.946 -7.682) 8.285 16.032 ( -0.973 2.946 7.682) 8.285 16.295 ( -6.032 -1.383 -6.765) 9.169 16.295 ( -6.032 -1.383 6.765) 9.169 16.702 ( 4.611 9.377 -2.751) 10.805 16.702 ( 4.611 9.377 2.751) 10.805 18.695 ( 3.744 4.376 -3.105) 6.543 18.695 ( 3.744 4.376 3.105) 6.543 19.057 ( 3.392 -4.865 -7.034) 9.200 19.057 ( 3.392 -4.865 7.034) 9.200 22.550 ( -18.577 -12.689 -11.397) 25.219 22.550 ( -18.577 -12.689 11.397) 25.219 27.827 ( 25.692 5.965 -24.019) 35.673 27.827 ( 25.692 5.965 24.019) 35.673 28.369 ( -6.811 -4.597 -8.046) 11.500 28.369 ( -6.811 -4.597 8.046) 11.500 29.564 ( 11.169 3.380 -3.454) 12.170 29.564 ( 11.169 3.380 3.454) 12.170 29.926 ( -10.026 0.165 -0.311) 10.032 29.926 ( -10.026 0.165 0.311) 10.032 31.989 ( 0.172 0.832 -1.169) 1.445 31.989 ( 0.172 0.832 1.169) 1.445 32.245 ( 1.993 4.647 -6.012) 7.855 32.245 ( 1.993 4.647 6.012) 7.855 33.257 ( 18.237 -15.960 -9.403) 25.995 33.257 ( 18.237 -15.960 9.403) 25.995 35.608 ( -37.906 5.682 -31.570) 49.657 35.608 ( -37.906 5.682 31.570) 49.657 ======================= Grid point 190 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 14.541 -1.329 -11.954) 18.871 2.522 ( 14.541 -1.329 11.954) 18.871 3.340 ( 19.517 -0.776 -7.434) 20.899 3.340 ( 19.517 -0.776 7.434) 20.899 3.617 ( 5.937 0.395 -6.306) 8.670 3.617 ( 5.937 0.395 6.306) 8.670 3.783 ( 8.115 -15.026 -19.956) 26.265 3.783 ( 8.115 -15.026 19.956) 26.265 4.466 ( -13.709 7.077 -5.302) 16.314 4.466 ( -13.709 7.077 5.302) 16.314 4.739 ( 4.722 -7.042 -1.316) 8.580 4.739 ( 4.722 -7.042 1.316) 8.580 5.176 ( 11.503 -0.849 -1.286) 11.606 5.176 ( 11.503 -0.849 1.286) 11.606 5.586 ( 13.353 -2.660 -3.182) 13.982 5.586 ( 13.353 -2.660 3.182) 13.982 5.845 ( -0.411 0.529 -9.227) 9.251 5.845 ( -0.411 0.529 9.227) 9.251 6.026 ( 7.003 -1.920 -19.186) 20.514 6.026 ( 7.003 -1.920 19.186) 20.514 6.420 ( -6.775 -10.225 -10.043) 15.853 6.420 ( -6.775 -10.225 10.043) 15.853 6.550 ( 2.809 12.092 -5.030) 13.395 6.550 ( 2.809 12.092 5.030) 13.395 7.091 ( -3.206 6.994 -15.121) 16.965 7.091 ( -3.206 6.994 15.121) 16.965 7.439 ( -3.815 6.701 -9.825) 12.490 7.439 ( -3.815 6.701 9.825) 12.490 8.111 ( 6.665 -0.510 -8.717) 10.985 8.111 ( 6.665 -0.510 8.717) 10.985 8.801 ( 0.015 -3.234 -10.577) 11.060 8.801 ( 0.015 -3.234 10.577) 11.060 9.108 ( -1.413 9.335 -3.151) 9.953 9.108 ( -1.413 9.335 3.151) 9.953 9.417 ( -0.388 7.146 -3.853) 8.128 9.417 ( -0.388 7.146 3.853) 8.128 9.663 ( -5.405 0.207 -2.098) 5.802 9.663 ( -5.405 0.207 2.098) 5.802 10.327 ( -1.784 -0.082 -10.405) 10.557 10.327 ( -1.784 -0.082 10.405) 10.557 10.636 ( -15.640 1.320 -4.689) 16.381 10.636 ( -15.640 1.320 4.689) 16.381 11.360 ( -6.134 -5.048 -3.314) 8.607 11.360 ( -6.134 -5.048 3.314) 8.607 13.394 ( 1.355 -4.314 -2.876) 5.359 13.394 ( 1.355 -4.314 2.876) 5.359 13.557 ( 1.665 -2.688 -0.847) 3.273 13.557 ( 1.665 -2.688 0.847) 3.273 15.669 ( 4.429 -1.568 -2.663) 5.400 15.669 ( 4.429 -1.568 2.663) 5.400 15.945 ( -3.851 2.792 -3.379) 5.834 15.945 ( -3.851 2.792 3.379) 5.834 16.245 ( -1.034 -0.467 -2.662) 2.894 16.245 ( -1.034 -0.467 2.662) 2.894 16.658 ( 5.696 10.651 -3.593) 12.602 16.658 ( 5.696 10.651 3.593) 12.602 18.692 ( 2.827 5.216 -3.500) 6.889 18.692 ( 2.827 5.216 3.500) 6.889 19.136 ( 1.581 -1.190 -4.942) 5.324 19.136 ( 1.581 -1.190 4.942) 5.324 22.528 ( -9.160 -18.147 -6.126) 21.231 22.528 ( -9.160 -18.147 6.126) 21.231 27.973 ( -2.083 4.456 -2.699) 5.611 27.973 ( -2.083 4.456 2.699) 5.611 28.408 ( 6.838 -4.292 -16.032) 17.950 28.408 ( 6.838 -4.292 16.032) 17.950 29.666 ( 1.499 1.441 -3.540) 4.105 29.666 ( 1.499 1.441 3.540) 4.105 29.758 ( -3.733 2.877 -2.025) 5.130 29.758 ( -3.733 2.877 2.025) 5.130 31.980 ( -0.473 -0.158 -0.775) 0.922 31.980 ( -0.473 -0.158 0.775) 0.922 32.223 ( 2.074 4.383 -6.210) 7.879 32.223 ( 2.074 4.383 6.210) 7.879 33.760 ( 14.136 -18.300 -14.539) 27.315 33.760 ( 14.136 -18.300 14.539) 27.315 35.022 ( -20.433 8.916 -20.319) 30.165 35.022 ( -20.433 8.916 20.319) 30.165 ======================= Grid point 192 (59/75) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 5.693 4.655 -8.396) 11.162 2.687 ( 5.693 4.655 8.396) 11.162 3.392 ( 2.554 11.006 -5.813) 12.706 3.392 ( 2.554 11.006 5.813) 12.706 3.767 ( 4.474 -8.186 -11.079) 14.484 3.767 ( 4.474 -8.186 11.079) 14.484 4.092 ( -6.814 5.201 -13.057) 15.620 4.092 ( -6.814 5.201 13.057) 15.620 4.240 ( 11.842 -4.077 -5.874) 13.833 4.240 ( 11.842 -4.077 5.874) 13.833 4.945 ( -0.361 -16.987 -2.936) 17.242 4.945 ( -0.361 -16.987 2.936) 17.242 5.246 ( -4.788 1.112 -6.829) 8.414 5.246 ( -4.788 1.112 6.829) 8.414 5.654 ( -5.970 -3.386 -10.587) 12.617 5.654 ( -5.970 -3.386 10.587) 12.617 5.866 ( 1.241 8.440 -11.659) 14.447 5.866 ( 1.241 8.440 11.659) 14.447 5.981 ( 2.585 4.328 -4.142) 6.524 5.981 ( 2.585 4.328 4.142) 6.524 6.435 ( -1.926 -0.554 -5.645) 5.990 6.435 ( -1.926 -0.554 5.645) 5.990 6.660 ( 6.369 -5.155 -7.493) 11.103 6.660 ( 6.369 -5.155 7.493) 11.103 6.936 ( -1.915 5.644 -7.883) 9.883 6.936 ( -1.915 5.644 7.883) 9.883 7.228 ( -5.390 11.565 -16.429) 20.801 7.228 ( -5.390 11.565 16.429) 20.801 8.117 ( -6.234 -0.359 -3.336) 7.079 8.117 ( -6.234 -0.359 3.336) 7.079 8.718 ( -2.029 11.048 -9.991) 15.034 8.718 ( -2.029 11.048 9.991) 15.034 9.094 ( 1.826 -5.789 -2.064) 6.411 9.094 ( 1.826 -5.789 2.064) 6.411 9.350 ( 1.238 4.872 -2.530) 5.628 9.350 ( 1.238 4.872 2.530) 5.628 9.635 ( 2.057 -0.511 -1.126) 2.400 9.635 ( 2.057 -0.511 1.126) 2.400 10.333 ( -4.150 -4.051 -3.042) 6.549 10.333 ( -4.150 -4.051 3.042) 6.549 10.453 ( -3.123 -2.055 -0.890) 3.843 10.453 ( -3.123 -2.055 0.890) 3.843 11.342 ( -4.320 -5.962 -2.198) 7.684 11.342 ( -4.320 -5.962 2.198) 7.684 13.462 ( 0.106 -3.927 -4.340) 5.853 13.462 ( 0.106 -3.927 4.340) 5.853 13.602 ( 0.864 -1.150 -1.151) 1.843 13.602 ( 0.864 -1.150 1.151) 1.843 15.668 ( -6.523 -1.261 -5.078) 8.362 15.668 ( -6.523 -1.261 5.078) 8.362 15.903 ( 2.018 1.083 -7.308) 7.658 15.903 ( 2.018 1.083 7.308) 7.658 16.275 ( 4.777 0.820 -2.420) 5.418 16.275 ( 4.777 0.820 2.420) 5.418 16.617 ( 5.019 10.208 -4.554) 12.253 16.617 ( 5.019 10.208 4.554) 12.253 18.654 ( 0.625 4.960 -5.286) 7.275 18.654 ( 0.625 4.960 5.286) 7.275 19.156 ( 0.537 0.157 -1.675) 1.766 19.156 ( 0.537 0.157 1.675) 1.766 22.670 ( -0.916 -16.465 -1.156) 16.531 22.670 ( -0.916 -16.465 1.156) 16.531 27.762 ( -19.306 -3.000 -5.932) 20.418 27.762 ( -19.306 -3.000 5.932) 20.418 28.579 ( 8.529 1.917 -14.473) 16.908 28.579 ( 8.529 1.917 14.473) 16.908 29.513 ( -11.866 -1.171 -2.748) 12.236 29.513 ( -11.866 -1.171 2.748) 12.236 29.829 ( 10.236 3.105 -2.932) 11.091 29.829 ( 10.236 3.105 2.932) 11.091 31.979 ( -1.042 -1.463 -1.500) 2.340 31.979 ( -1.042 -1.463 1.500) 2.340 32.195 ( 1.080 4.234 -5.594) 7.098 32.195 ( 1.080 4.234 5.594) 7.098 34.098 ( -4.419 -14.885 -21.856) 26.810 34.098 ( -4.419 -14.885 21.856) 26.810 34.780 ( 10.084 8.601 -5.944) 14.525 34.780 ( 10.084 8.601 5.944) 14.525 ======================= Grid point 194 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -5.303 12.154 -3.195) 13.640 2.564 ( -5.303 12.154 3.195) 13.640 3.317 ( 1.192 10.338 -3.534) 10.990 3.317 ( 1.192 10.338 3.534) 10.990 3.602 ( -19.630 7.105 -10.719) 23.467 3.602 ( -19.630 7.105 10.719) 23.467 4.110 ( 10.099 -4.315 -12.983) 17.005 4.110 ( 10.099 -4.315 12.983) 17.005 4.468 ( 8.087 3.367 -4.077) 9.662 4.468 ( 8.087 3.367 4.077) 9.662 4.810 ( -22.683 0.561 -6.755) 23.674 4.810 ( -22.683 0.561 6.755) 23.674 5.286 ( -2.803 -6.765 -4.856) 8.787 5.286 ( -2.803 -6.765 4.856) 8.787 5.515 ( -3.934 8.482 -8.600) 12.703 5.515 ( -3.934 8.482 8.600) 12.703 5.757 ( -3.894 -0.024 -9.105) 9.903 5.757 ( -3.894 -0.024 9.105) 9.903 5.990 ( 0.453 1.515 -6.128) 6.329 5.990 ( 0.453 1.515 6.128) 6.329 6.434 ( -4.596 -6.647 -1.317) 8.188 6.434 ( -4.596 -6.647 1.317) 8.188 6.619 ( -3.233 14.221 -2.522) 14.800 6.619 ( -3.233 14.221 2.522) 14.800 6.884 ( 5.325 1.697 -8.449) 10.130 6.884 ( 5.325 1.697 8.449) 10.130 7.150 ( -0.306 -4.856 -14.394) 15.194 7.150 ( -0.306 -4.856 14.394) 15.194 7.953 ( -13.344 -1.346 -6.615) 14.954 7.953 ( -13.344 -1.346 6.615) 14.954 8.573 ( -3.251 2.644 -13.370) 14.012 8.573 ( -3.251 2.644 13.370) 14.012 9.207 ( 1.421 -1.260 -2.280) 2.968 9.207 ( 1.421 -1.260 2.280) 2.968 9.335 ( 3.972 0.978 -3.918) 5.665 9.335 ( 3.972 0.978 3.918) 5.665 9.740 ( 8.881 -1.441 -3.197) 9.548 9.740 ( 8.881 -1.441 3.197) 9.548 10.270 ( -4.147 -1.760 -8.774) 9.863 10.270 ( -4.147 -1.760 8.774) 9.863 10.583 ( 4.255 -10.363 -11.037) 15.726 10.583 ( 4.255 -10.363 11.037) 15.726 11.367 ( -2.355 -6.409 -4.230) 8.032 11.367 ( -2.355 -6.409 4.230) 8.032 13.480 ( -1.569 -0.266 -4.189) 4.481 13.480 ( -1.569 -0.266 4.189) 4.481 13.628 ( 0.941 -0.976 -1.458) 1.991 13.628 ( 0.941 -0.976 1.458) 1.991 15.557 ( -7.494 -1.318 -7.750) 10.861 15.557 ( -7.494 -1.318 7.750) 10.861 15.928 ( 1.586 0.690 -5.665) 5.923 15.928 ( 1.586 0.690 5.665) 5.923 16.367 ( 6.880 1.180 -3.410) 7.769 16.367 ( 6.880 1.180 3.410) 7.769 16.559 ( 3.388 9.722 -6.280) 12.060 16.559 ( 3.388 9.722 6.280) 12.060 18.596 ( -1.240 2.979 -8.330) 8.933 18.596 ( -1.240 2.979 8.330) 8.933 19.163 ( 0.825 0.064 -5.028) 5.096 19.163 ( 0.825 0.064 5.028) 5.096 22.904 ( 7.265 -11.609 -4.442) 14.397 22.904 ( 7.265 -11.609 4.442) 14.397 27.443 ( -25.269 -5.851 -8.297) 27.232 27.443 ( -25.269 -5.851 8.297) 27.232 28.595 ( -3.397 2.501 -6.925) 8.109 28.595 ( -3.397 2.501 6.925) 8.109 29.378 ( -4.772 -0.306 -2.521) 5.406 29.378 ( -4.772 -0.306 2.521) 5.406 29.971 ( 9.216 0.701 -0.738) 9.272 29.971 ( 9.216 0.701 0.738) 9.272 31.978 ( -1.384 -1.447 -2.237) 3.003 31.978 ( -1.384 -1.447 2.237) 3.003 32.152 ( -0.112 3.489 -4.016) 5.321 32.152 ( -0.112 3.489 4.016) 5.321 34.000 ( -12.071 0.844 -12.882) 17.674 34.000 ( -12.071 0.844 12.882) 17.674 35.127 ( 27.991 -5.152 -10.720) 30.413 35.127 ( 27.991 -5.152 10.720) 30.413 ======================= Grid point 196 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -6.468 10.664 -18.831) 22.586 2.303 ( -6.468 10.664 18.831) 22.586 2.974 ( -21.668 19.352 -1.759) 29.105 2.974 ( -21.668 19.352 1.759) 29.105 3.164 ( -17.403 11.007 -9.648) 22.740 3.164 ( -17.403 11.007 9.648) 22.740 4.236 ( -5.583 11.182 -15.401) 19.834 4.236 ( -5.583 11.182 15.401) 19.834 4.384 ( -2.535 -5.147 -13.431) 14.605 4.384 ( -2.535 -5.147 13.431) 14.605 4.676 ( 4.773 -3.105 -8.013) 9.830 4.676 ( 4.773 -3.105 8.013) 9.830 4.980 ( -8.955 21.589 -3.136) 23.582 4.980 ( -8.955 21.589 3.136) 23.582 5.391 ( -11.768 8.916 -13.863) 20.253 5.391 ( -11.768 8.916 13.863) 20.253 5.674 ( -0.542 -4.902 -10.047) 11.192 5.674 ( -0.542 -4.902 10.047) 11.192 6.027 ( 0.404 2.387 -22.525) 22.655 6.027 ( 0.404 2.387 22.525) 22.655 6.377 ( -2.692 10.042 -6.329) 12.171 6.377 ( -2.692 10.042 6.329) 12.171 6.522 ( -2.391 -16.606 -1.009) 16.808 6.522 ( -2.391 -16.606 1.009) 16.808 7.029 ( 5.836 -2.922 -4.838) 8.124 7.029 ( 5.836 -2.922 4.838) 8.124 7.227 ( 0.467 -8.103 -7.223) 10.865 7.227 ( 0.467 -8.103 7.223) 10.865 7.738 ( -13.018 -1.393 -17.245) 21.652 7.738 ( -13.018 -1.393 17.245) 21.652 8.565 ( -2.895 -9.494 -7.293) 12.316 8.565 ( -2.895 -9.494 7.293) 12.316 9.128 ( -2.705 7.837 -8.721) 12.033 9.128 ( -2.705 7.837 8.721) 12.033 9.451 ( 5.596 -1.980 -10.003) 11.631 9.451 ( 5.596 -1.980 10.003) 11.631 9.955 ( 12.288 -3.262 -2.663) 12.990 9.955 ( 12.288 -3.262 2.663) 12.990 10.266 ( -0.228 -3.106 -7.786) 8.386 10.266 ( -0.228 -3.106 7.786) 8.386 10.792 ( 1.482 -13.623 -10.806) 17.451 10.792 ( 1.482 -13.623 10.806) 17.451 11.421 ( -0.830 -5.968 -7.200) 9.389 11.421 ( -0.830 -5.968 7.200) 9.389 13.425 ( -2.375 3.016 -2.880) 4.799 13.425 ( -2.375 3.016 2.880) 4.799 13.653 ( 1.306 0.552 -2.472) 2.850 13.653 ( 1.306 0.552 2.472) 2.850 15.466 ( -4.980 -0.795 -9.675) 10.910 15.466 ( -4.980 -0.795 9.675) 10.910 15.938 ( 0.493 0.085 -2.916) 2.959 15.938 ( 0.493 0.085 2.916) 2.959 16.435 ( 2.583 3.739 -4.220) 6.202 16.435 ( 2.583 3.739 4.220) 6.202 16.504 ( 3.940 5.557 -8.302) 10.739 16.504 ( 3.940 5.557 8.302) 10.739 18.545 ( -2.044 0.460 -9.898) 10.118 18.545 ( -2.044 0.460 9.898) 10.118 19.191 ( 2.552 0.032 -7.582) 8.000 19.191 ( 2.552 0.032 7.582) 8.000 23.207 ( 15.190 -6.373 -12.738) 20.823 23.207 ( 15.190 -6.373 12.738) 20.823 27.079 ( -27.113 -6.013 -8.839) 29.144 27.079 ( -27.113 -6.013 8.839) 29.144 28.435 ( -11.555 0.968 -2.434) 11.848 28.435 ( -11.555 0.968 2.434) 11.848 29.347 ( 0.311 0.652 -3.981) 4.046 29.347 ( 0.311 0.652 3.981) 4.046 30.103 ( 6.904 0.250 -2.088) 7.217 30.103 ( 6.904 0.250 2.088) 7.217 31.965 ( -1.355 -0.072 -1.989) 2.408 31.965 ( -1.355 -0.072 1.989) 2.408 32.110 ( -0.931 1.414 -1.336) 2.157 32.110 ( -0.931 1.414 1.336) 2.157 33.760 ( -7.216 11.115 -4.953) 14.147 33.760 ( -7.216 11.115 4.953) 14.147 35.748 ( 29.937 -15.228 -17.159) 37.717 35.748 ( 29.937 -15.228 17.159) 37.717 ======================= Grid point 198 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -9.975 9.260 -28.002) 31.135 2.075 ( -9.975 9.260 28.002) 31.135 2.269 ( -22.259 22.174 -9.960) 32.960 2.269 ( -22.259 22.174 9.960) 32.960 2.722 ( -12.750 16.527 -4.002) 21.254 2.722 ( -12.750 16.527 4.002) 21.254 3.903 ( -11.924 11.171 -21.919) 27.339 3.903 ( -11.924 11.171 21.919) 27.339 4.367 ( 6.771 14.612 -8.857) 18.379 4.367 ( 6.771 14.612 8.857) 18.379 4.515 ( -6.772 17.566 -4.937) 19.463 4.515 ( -6.772 17.566 4.937) 19.463 4.916 ( -1.883 -1.777 -9.376) 9.727 4.916 ( -1.883 -1.777 9.376) 9.727 5.216 ( 2.540 -11.943 -13.022) 17.851 5.216 ( 2.540 -11.943 13.022) 17.851 5.712 ( 0.408 2.993 -19.046) 19.284 5.712 ( 0.408 2.993 19.046) 19.284 5.899 ( -8.620 3.752 -20.136) 22.223 5.899 ( -8.620 3.752 20.136) 22.223 6.284 ( 4.315 4.411 -15.859) 17.017 6.284 ( 4.315 4.411 15.859) 17.017 6.651 ( -5.711 -5.504 -3.947) 8.859 6.651 ( -5.711 -5.504 3.947) 8.859 7.118 ( -3.079 -9.975 -2.505) 10.736 7.118 ( -3.079 -9.975 2.505) 10.736 7.340 ( 3.833 -1.967 -5.431) 6.932 7.340 ( 3.833 -1.967 5.431) 6.932 7.644 ( -2.323 -5.028 -25.859) 26.445 7.644 ( -2.323 -5.028 25.859) 26.445 8.681 ( -2.364 -10.954 -10.816) 15.575 8.681 ( -2.364 -10.954 10.816) 15.575 9.002 ( -1.725 0.026 -5.004) 5.293 9.002 ( -1.725 0.026 5.004) 5.293 9.537 ( 2.240 -1.187 -12.349) 12.607 9.537 ( 2.240 -1.187 12.349) 12.607 10.179 ( 7.731 -2.866 -4.582) 9.433 10.179 ( 7.731 -2.866 4.582) 9.433 10.337 ( 3.912 -3.372 -5.889) 7.833 10.337 ( 3.912 -3.372 5.889) 7.833 10.962 ( -2.659 -14.570 -11.332) 18.649 10.962 ( -2.659 -14.570 11.332) 18.649 11.483 ( 0.026 -4.493 -9.420) 10.436 11.483 ( 0.026 -4.493 9.420) 10.436 13.341 ( -1.637 4.294 -1.523) 4.841 13.341 ( -1.637 4.294 1.523) 4.841 13.643 ( 1.050 4.523 -2.173) 5.126 13.643 ( 1.050 4.523 2.173) 5.126 15.409 ( -2.373 0.006 -10.949) 11.204 15.409 ( -2.373 0.006 10.949) 11.204 15.952 ( 0.170 -1.719 -2.662) 3.174 15.952 ( 0.170 -1.719 2.662) 3.174 16.383 ( -0.930 2.615 -6.335) 6.917 16.383 ( -0.930 2.615 6.335) 6.917 16.532 ( 2.823 1.937 -9.560) 10.154 16.532 ( 2.823 1.937 9.560) 10.154 18.521 ( -1.461 -1.482 -9.080) 9.315 18.521 ( -1.461 -1.482 9.080) 9.315 19.232 ( 3.108 2.321 -7.314) 8.279 19.232 ( 3.108 2.321 7.314) 8.279 23.563 ( 18.823 -3.446 -25.825) 32.142 23.563 ( 18.823 -3.446 25.825) 32.142 26.706 ( -23.449 -3.202 -5.151) 24.220 26.706 ( -23.449 -3.202 5.151) 24.220 28.233 ( -10.037 0.613 -1.500) 10.167 28.233 ( -10.037 0.613 1.500) 10.167 29.346 ( 0.614 1.351 -6.599) 6.763 29.346 ( 0.614 1.351 6.599) 6.763 30.185 ( 3.677 0.995 -3.717) 5.323 30.185 ( 3.677 0.995 3.717) 5.323 31.942 ( -0.892 0.289 -1.281) 1.587 31.942 ( -0.892 0.289 1.281) 1.587 32.090 ( -0.949 -0.789 -1.563) 1.992 32.090 ( -0.949 -0.789 1.563) 1.992 33.471 ( -3.450 20.577 -5.502) 21.578 33.471 ( -3.450 20.577 5.502) 21.578 36.478 ( 24.257 -25.628 -17.359) 39.326 36.478 ( 24.257 -25.628 17.359) 39.326 ======================= Grid point 200 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.000 16.443 -22.984) 28.260 1.666 ( -0.000 16.443 22.984) 28.260 1.895 ( -0.000 23.012 -22.772) 32.375 1.895 ( -0.000 23.012 22.772) 32.375 2.411 ( -0.000 12.481 -7.462) 14.541 2.411 ( -0.000 12.481 7.462) 14.541 3.662 ( -0.000 8.700 -51.010) 51.747 3.662 ( -0.000 8.700 51.010) 51.747 4.237 ( -0.000 10.610 -1.886) 10.777 4.237 ( -0.000 10.610 1.886) 10.777 4.296 ( -0.000 9.905 -6.486) 11.839 4.296 ( -0.000 9.905 6.486) 11.839 4.851 ( -0.000 0.636 -13.632) 13.647 4.851 ( -0.000 0.636 13.632) 13.647 5.540 ( 0.000 -6.721 -10.103) 12.135 5.540 ( 0.000 -6.721 10.103) 12.135 5.647 ( 0.000 -1.101 -17.574) 17.608 5.647 ( 0.000 -1.101 17.574) 17.608 5.726 ( 0.000 -0.431 -22.288) 22.292 5.726 ( 0.000 -0.431 22.288) 22.292 6.402 ( 0.000 -3.161 -28.762) 28.935 6.402 ( 0.000 -3.161 28.762) 28.935 6.482 ( -0.000 5.765 -3.355) 6.670 6.482 ( -0.000 5.765 3.355) 6.670 7.195 ( 0.000 -4.675 -12.115) 12.986 7.195 ( 0.000 -4.675 12.115) 12.986 7.399 ( 0.000 -0.473 -6.119) 6.137 7.399 ( 0.000 -0.473 6.119) 6.137 7.663 ( -0.000 3.506 -17.744) 18.088 7.663 ( -0.000 3.506 17.744) 18.088 8.679 ( -0.000 2.425 -22.727) 22.856 8.679 ( -0.000 2.425 22.727) 22.856 9.191 ( 0.000 -25.891 -0.886) 25.906 9.191 ( 0.000 -25.891 0.886) 25.906 9.564 ( 0.000 -0.620 -12.734) 12.749 9.564 ( 0.000 -0.620 12.734) 12.749 10.268 ( 0.000 -2.362 -6.549) 6.962 10.268 ( 0.000 -2.362 6.549) 6.962 10.431 ( 0.000 -2.272 -7.659) 7.989 10.431 ( 0.000 -2.272 7.659) 7.989 11.102 ( 0.000 -12.619 -15.287) 19.823 11.102 ( 0.000 -12.619 15.287) 19.823 11.532 ( 0.000 -2.985 -10.280) 10.705 11.532 ( 0.000 -2.985 10.280) 10.705 13.271 ( -0.000 4.289 -0.303) 4.300 13.271 ( -0.000 4.289 0.303) 4.300 13.564 ( -0.000 9.070 -5.029) 10.371 13.564 ( -0.000 9.070 5.029) 10.371 15.389 ( -0.000 0.120 -11.194) 11.195 15.389 ( -0.000 0.120 11.194) 11.195 15.987 ( 0.000 -3.135 -5.105) 5.991 15.987 ( 0.000 -3.135 5.105) 5.991 16.390 ( 0.000 -6.219 -3.672) 7.223 16.390 ( 0.000 -6.219 3.672) 7.223 16.532 ( -0.000 1.475 -9.851) 9.961 16.532 ( -0.000 1.475 9.851) 9.961 18.537 ( 0.000 -3.071 -6.425) 7.121 18.537 ( 0.000 -3.071 6.425) 7.121 19.193 ( -0.000 8.964 -5.237) 10.382 19.193 ( -0.000 8.964 5.237) 10.382 23.805 ( 0.000 -1.281 -36.056) 36.079 23.805 ( 0.000 -1.281 36.056) 36.079 26.481 ( -0.000 0.401 -1.447) 1.502 26.481 ( -0.000 0.401 1.447) 1.502 28.130 ( -0.000 0.800 -1.590) 1.780 28.130 ( -0.000 0.800 1.590) 1.780 29.326 ( -0.000 2.393 -7.774) 8.134 29.326 ( -0.000 2.393 7.774) 8.134 30.201 ( -0.000 1.056 -4.010) 4.147 30.201 ( -0.000 1.056 4.010) 4.147 31.939 ( 0.000 -1.163 -1.007) 1.539 31.939 ( 0.000 -1.163 1.007) 1.539 32.104 ( 0.000 -3.054 -3.668) 4.774 32.104 ( 0.000 -3.054 3.668) 4.774 33.126 ( -0.000 27.870 -7.300) 28.810 33.126 ( -0.000 27.870 7.300) 28.810 37.084 ( 0.000 -30.110 -10.755) 31.973 37.084 ( 0.000 -30.110 10.755) 31.973 ======================= Grid point 206 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 18.687 0.000 -16.778) 25.114 2.499 ( 18.687 0.000 16.778) 25.114 3.305 ( 25.528 0.000 -6.330) 26.301 3.305 ( 25.528 0.000 6.330) 26.301 3.416 ( 2.146 0.000 -20.584) 20.696 3.416 ( 2.146 0.000 20.584) 20.696 3.774 ( 11.479 0.000 -9.437) 14.860 3.774 ( 11.479 0.000 9.437) 14.860 4.570 ( -15.148 -0.000 -3.288) 15.500 4.570 ( -15.148 -0.000 3.288) 15.500 4.689 ( 6.369 0.000 -1.782) 6.613 4.689 ( 6.369 0.000 1.782) 6.613 5.170 ( 6.840 0.000 -0.845) 6.892 5.170 ( 6.840 0.000 0.845) 6.892 5.601 ( 25.960 0.000 -5.849) 26.611 5.601 ( 25.960 0.000 5.849) 26.611 5.789 ( -1.911 -0.000 -13.309) 13.445 5.789 ( -1.911 -0.000 13.309) 13.445 5.943 ( 12.042 0.000 -2.392) 12.278 5.943 ( 12.042 0.000 2.392) 12.278 6.329 ( -15.465 -0.000 -8.575) 17.683 6.329 ( -15.465 -0.000 8.575) 17.683 6.751 ( 0.977 0.000 -11.947) 11.987 6.751 ( 0.977 0.000 11.947) 11.987 7.186 ( -4.471 -0.000 -26.287) 26.664 7.186 ( -4.471 -0.000 26.287) 26.664 7.468 ( -0.106 -0.000 -5.886) 5.887 7.468 ( -0.106 -0.000 5.886) 5.887 8.132 ( 9.835 0.000 -9.388) 13.596 8.132 ( 9.835 0.000 9.388) 13.596 8.685 ( -1.845 -0.000 -10.184) 10.350 8.685 ( -1.845 -0.000 10.184) 10.350 9.259 ( -2.722 -0.000 -4.943) 5.643 9.259 ( -2.722 -0.000 4.943) 5.643 9.578 ( -4.502 -0.000 -0.400) 4.520 9.578 ( -4.502 -0.000 0.400) 4.520 9.662 ( -0.404 -0.000 -3.208) 3.233 9.662 ( -0.404 -0.000 3.208) 3.233 10.343 ( -6.092 -0.000 -1.992) 6.410 10.343 ( -6.092 -0.000 1.992) 6.410 10.644 ( -20.170 -0.000 -1.666) 20.239 10.644 ( -20.170 -0.000 1.666) 20.239 11.272 ( -6.332 -0.000 -0.769) 6.379 11.272 ( -6.332 -0.000 0.769) 6.379 13.332 ( 1.215 0.000 -2.920) 3.163 13.332 ( 1.215 0.000 2.920) 3.163 13.515 ( 3.597 0.000 -0.774) 3.679 13.515 ( 3.597 0.000 0.774) 3.679 15.649 ( 5.400 0.000 -2.059) 5.779 15.649 ( 5.400 0.000 2.059) 5.779 15.985 ( -6.481 -0.000 -0.541) 6.504 15.985 ( -6.481 -0.000 0.541) 6.504 16.237 ( 0.881 0.000 -0.179) 0.899 16.237 ( 0.881 0.000 0.179) 0.899 16.834 ( 3.917 0.000 -1.389) 4.156 16.834 ( 3.917 0.000 1.389) 4.156 18.784 ( 2.786 0.000 -6.011) 6.625 18.784 ( 2.786 0.000 6.011) 6.625 19.112 ( 5.518 0.000 -4.939) 7.406 19.112 ( 5.518 0.000 4.939) 7.406 22.224 ( -10.133 -0.000 -6.978) 12.303 22.224 ( -10.133 -0.000 6.978) 12.303 28.046 ( -15.149 -0.000 -5.195) 16.015 28.046 ( -15.149 -0.000 5.195) 16.015 28.337 ( 18.766 0.000 -27.154) 33.007 28.337 ( 18.766 0.000 27.154) 33.007 29.666 ( -6.783 -0.000 -2.931) 7.389 29.666 ( -6.783 -0.000 2.931) 7.389 29.826 ( 2.739 0.000 -0.996) 2.915 29.826 ( 2.739 0.000 0.996) 2.915 31.985 ( -1.226 -0.000 -1.382) 1.847 31.985 ( -1.226 -0.000 1.382) 1.847 32.305 ( 1.623 0.000 -6.079) 6.291 32.305 ( 1.623 0.000 6.079) 6.291 33.472 ( 17.399 0.000 -17.747) 24.853 33.472 ( 17.399 0.000 17.747) 24.853 35.141 ( -20.751 -0.000 -21.305) 29.741 35.141 ( -20.751 -0.000 21.305) 29.741 ======================= Grid point 208 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 12.184 2.200 -9.218) 15.436 2.756 ( 12.184 2.200 9.218) 15.436 3.458 ( -4.593 -11.169 -7.973) 14.471 3.458 ( -4.593 -11.169 7.973) 14.471 3.683 ( 17.967 1.412 -4.735) 18.634 3.683 ( 17.967 1.412 4.735) 18.634 3.990 ( 14.445 1.244 -23.141) 27.308 3.990 ( 14.445 1.244 23.141) 27.308 4.285 ( -14.204 3.201 -5.656) 15.620 4.285 ( -14.204 3.201 5.656) 15.620 4.779 ( 3.999 -1.046 -5.677) 7.022 4.779 ( 3.999 -1.046 5.677) 7.022 5.258 ( 3.622 -0.715 -3.193) 4.881 5.258 ( 3.622 -0.715 3.193) 4.881 5.613 ( -11.991 3.777 -5.615) 13.769 5.613 ( -11.991 3.777 5.615) 13.769 6.000 ( 13.462 2.016 -5.419) 14.651 6.000 ( 13.462 2.016 5.419) 14.651 6.124 ( 2.376 3.206 -6.936) 8.002 6.124 ( 2.376 3.206 6.936) 8.002 6.243 ( 5.188 -12.098 -11.305) 17.352 6.243 ( 5.188 -12.098 11.305) 17.352 6.633 ( -7.581 4.326 -10.832) 13.911 6.633 ( -7.581 4.326 10.832) 13.911 7.078 ( -4.173 4.753 -20.509) 21.462 7.078 ( -4.173 4.753 20.509) 21.462 7.447 ( -2.156 2.299 -5.990) 6.768 7.447 ( -2.156 2.299 5.990) 6.768 8.176 ( -1.600 3.348 -3.690) 5.234 8.176 ( -1.600 3.348 3.690) 5.234 8.704 ( -1.741 -6.953 -8.379) 11.026 8.704 ( -1.741 -6.953 8.379) 11.026 9.196 ( -1.393 6.503 -3.005) 7.298 9.196 ( -1.393 6.503 3.005) 7.298 9.467 ( -4.894 3.328 -2.681) 6.498 9.467 ( -4.894 3.328 2.681) 6.498 9.670 ( 3.819 3.841 -2.079) 5.802 9.670 ( 3.819 3.841 2.079) 5.802 10.209 ( -8.196 -4.078 -7.015) 11.534 10.209 ( -8.196 -4.078 7.015) 11.534 10.420 ( -8.345 -0.966 -1.681) 8.567 10.420 ( -8.345 -0.966 1.681) 8.567 11.202 ( -4.882 -3.571 -2.504) 6.547 11.202 ( -4.882 -3.571 2.504) 6.547 13.359 ( 0.001 -2.699 -4.392) 5.155 13.359 ( 0.001 -2.699 4.392) 5.155 13.577 ( 2.699 -0.687 -0.374) 2.810 13.577 ( 2.699 -0.687 0.374) 2.810 15.658 ( -5.247 0.098 -5.319) 7.472 15.658 ( -5.247 0.098 5.319) 7.472 15.919 ( 0.743 0.288 -8.493) 8.530 15.919 ( 0.743 0.288 8.493) 8.530 16.294 ( 5.532 0.450 -2.170) 5.960 16.294 ( 5.532 0.450 2.170) 5.960 16.855 ( 3.921 6.024 -2.003) 7.461 16.855 ( 3.921 6.024 2.003) 7.461 18.789 ( 0.832 3.672 -7.788) 8.651 18.789 ( 0.832 3.672 7.788) 8.651 19.184 ( 3.659 1.821 -2.803) 4.956 19.184 ( 3.659 1.821 2.803) 4.956 22.207 ( -3.398 -13.943 -3.003) 14.662 22.207 ( -3.398 -13.943 3.003) 14.662 27.710 ( -22.977 -1.043 -4.771) 23.491 27.710 ( -22.977 -1.043 4.771) 23.491 28.611 ( 10.982 0.597 -20.223) 23.020 28.611 ( 10.982 0.597 20.223) 23.020 29.494 ( -10.253 -0.404 -2.047) 10.463 29.494 ( -10.253 -0.404 2.047) 10.463 29.902 ( 6.106 1.934 -2.478) 6.868 29.902 ( 6.106 1.934 2.478) 6.868 31.956 ( -2.026 -0.284 -0.907) 2.238 31.956 ( -2.026 -0.284 0.907) 2.238 32.308 ( 1.615 3.443 -6.566) 7.588 32.308 ( 1.615 3.443 6.566) 7.588 33.742 ( 5.257 -9.442 -26.749) 28.849 33.742 ( 5.257 -9.442 26.749) 28.849 34.954 ( 2.039 3.803 -5.142) 6.713 34.954 ( 2.039 3.803 5.142) 6.713 ======================= Grid point 210 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 2.066 6.502 -8.753) 11.098 2.825 ( 2.066 6.502 8.753) 11.098 3.484 ( -3.808 -2.105 -18.317) 18.827 3.484 ( -3.808 -2.105 18.317) 18.827 3.762 ( -3.582 5.381 -3.508) 7.355 3.762 ( -3.582 5.381 3.508) 7.355 4.062 ( -4.597 3.557 -4.471) 7.333 4.062 ( -4.597 3.557 4.471) 7.333 4.312 ( 12.186 -13.455 -11.086) 21.270 4.312 ( 12.186 -13.455 11.086) 21.270 4.830 ( -2.163 0.662 -9.919) 10.174 4.830 ( -2.163 0.662 9.919) 10.174 5.162 ( -8.668 5.608 -3.964) 11.059 5.162 ( -8.669 5.608 3.964) 11.059 5.494 ( 0.086 -5.177 -10.653) 11.845 5.494 ( 0.086 -5.177 10.653) 11.845 5.928 ( -11.436 9.816 -5.062) 15.898 5.928 ( -11.436 9.816 5.062) 15.898 6.125 ( 3.886 4.156 -12.190) 13.453 6.125 ( 3.886 4.156 12.190) 13.453 6.371 ( 0.589 -1.410 -1.623) 2.229 6.371 ( 0.589 -1.410 1.623) 2.229 6.693 ( 5.793 -9.412 -6.717) 12.933 6.693 ( 5.793 -9.412 6.717) 12.933 6.925 ( -4.130 6.780 -14.122) 16.200 6.925 ( -4.130 6.780 14.122) 16.200 7.320 ( -2.835 10.131 -7.535) 12.941 7.320 ( -2.835 10.131 7.535) 12.941 8.024 ( -8.349 6.202 -4.642) 11.389 8.024 ( -8.349 6.202 4.642) 11.389 8.691 ( -9.649 0.071 -10.682) 14.395 8.691 ( -9.649 0.071 10.682) 14.395 9.107 ( 2.600 0.397 -3.207) 4.148 9.107 ( 2.600 0.397 3.207) 4.148 9.376 ( -1.876 0.971 -6.915) 7.230 9.376 ( -1.876 0.971 6.915) 7.230 9.742 ( 8.483 1.557 -2.109) 8.879 9.742 ( 8.483 1.557 2.109) 8.879 10.195 ( -3.328 -4.670 -0.746) 5.783 10.195 ( -3.328 -4.670 0.746) 5.783 10.357 ( -3.401 -5.699 -2.420) 7.064 10.357 ( -3.401 -5.699 2.420) 7.064 11.199 ( -2.730 -5.678 -4.728) 7.877 11.199 ( -2.730 -5.678 4.728) 7.877 13.398 ( -0.952 -4.429 -6.013) 7.528 13.398 ( -0.952 -4.429 6.013) 7.528 13.614 ( 1.262 -0.058 -0.548) 1.377 13.614 ( 1.262 -0.058 0.548) 1.377 15.540 ( -7.055 -0.109 -8.707) 11.207 15.540 ( -7.055 -0.109 8.707) 11.207 15.950 ( 2.393 0.921 -7.310) 7.747 15.950 ( 2.393 0.921 7.310) 7.747 16.398 ( 7.675 1.065 -1.625) 7.917 16.398 ( 7.675 1.065 1.625) 7.917 16.823 ( 3.577 8.636 -3.858) 10.112 16.823 ( 3.577 8.636 3.858) 10.112 18.726 ( -1.067 5.592 -9.888) 11.410 18.726 ( -1.067 5.592 9.888) 11.410 19.194 ( 1.872 3.056 -2.432) 4.331 19.194 ( 1.872 3.056 2.432) 4.331 22.430 ( 2.153 -21.437 -0.854) 21.562 22.430 ( 2.153 -21.437 0.854) 21.562 27.332 ( -24.834 -2.815 -4.281) 25.357 27.332 ( -24.834 -2.815 4.281) 25.357 28.643 ( -5.290 1.331 -9.723) 11.148 28.643 ( -5.290 1.331 9.723) 11.148 29.390 ( -1.662 0.689 -1.289) 2.214 29.390 ( -1.662 0.689 1.289) 2.214 29.986 ( 5.959 0.507 -1.650) 6.204 29.986 ( 5.959 0.507 1.650) 6.204 31.933 ( -1.954 -1.497 -1.366) 2.815 31.933 ( -1.954 -1.497 1.366) 2.815 32.275 ( 1.058 5.067 -6.820) 8.562 32.275 ( 1.058 5.067 6.820) 8.562 33.857 ( -4.626 -8.742 -25.488) 27.339 33.857 ( -4.626 -8.742 25.488) 27.339 35.103 ( 18.394 1.548 -0.868) 18.479 35.103 ( 18.394 1.548 0.868) 18.479 ======================= Grid point 212 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -5.780 13.958 -8.628) 17.398 2.652 ( -5.780 13.958 8.628) 17.398 3.301 ( -20.013 3.863 -6.050) 21.261 3.301 ( -20.013 3.863 6.050) 21.261 3.547 ( -4.499 18.646 -3.571) 19.511 3.547 ( -4.499 18.646 3.571) 19.511 3.989 ( -7.612 -13.970 -17.367) 23.552 3.989 ( -7.612 -13.970 17.367) 23.552 4.560 ( 1.122 5.766 -14.735) 15.863 4.560 ( 1.122 5.766 14.735) 15.863 4.738 ( 6.021 1.462 -6.100) 8.694 4.738 ( 6.021 1.462 6.100) 8.694 5.119 ( -2.331 -8.297 -5.293) 10.114 5.119 ( -2.331 -8.297 5.293) 10.114 5.466 ( -10.934 5.816 -8.736) 15.156 5.466 ( -10.934 5.816 8.736) 15.156 5.730 ( 1.481 -4.132 -7.719) 8.880 5.730 ( 1.481 -4.132 7.719) 8.880 6.067 ( -0.612 9.037 -13.622) 16.358 6.067 ( -0.612 9.037 13.622) 16.358 6.387 ( 2.924 5.636 -7.848) 10.095 6.387 ( 2.924 5.636 7.848) 10.095 6.600 ( -12.647 3.046 -1.700) 13.119 6.600 ( -12.647 3.046 1.700) 13.119 6.998 ( 6.212 -2.029 -4.187) 7.761 6.998 ( 6.212 -2.029 4.187) 7.761 7.164 ( 1.560 6.986 -11.335) 13.406 7.164 ( 1.560 6.986 11.335) 13.406 7.773 ( -10.832 6.366 -8.812) 15.346 7.773 ( -10.832 6.366 8.812) 15.346 8.485 ( -9.694 0.715 -16.341) 19.013 8.485 ( -9.694 0.715 16.341) 19.013 9.204 ( 0.753 -2.760 -1.952) 3.463 9.204 ( 0.753 -2.760 1.952) 3.463 9.396 ( 4.543 -1.840 -8.096) 9.464 9.396 ( 4.543 -1.840 8.096) 9.464 9.890 ( 9.609 -1.151 -2.788) 10.071 9.890 ( 9.609 -1.151 2.788) 10.071 10.191 ( -1.493 -2.758 -6.214) 6.961 10.191 ( -1.493 -2.758 6.214) 6.961 10.434 ( -3.284 -12.650 -8.476) 15.577 10.434 ( -3.284 -12.650 8.476) 15.577 11.251 ( -0.586 -6.619 -6.953) 9.618 11.251 ( -0.586 -6.619 6.953) 9.618 13.428 ( -1.741 -3.174 -7.032) 7.909 13.428 ( -1.741 -3.174 7.032) 7.909 13.630 ( 0.587 -0.486 -0.710) 1.041 13.630 ( 0.587 -0.486 0.710) 1.041 15.448 ( -4.297 -0.443 -10.824) 11.654 15.448 ( -4.297 -0.443 10.824) 11.654 15.963 ( 1.142 1.581 -3.700) 4.183 15.963 ( 1.142 1.581 3.700) 4.183 16.506 ( 7.085 2.022 -4.533) 8.651 16.506 ( 7.085 2.022 4.533) 8.651 16.751 ( 2.300 10.462 -6.747) 12.660 16.751 ( 2.300 10.462 6.747) 12.660 18.625 ( -2.023 5.411 -11.516) 12.883 18.625 ( -2.023 5.411 11.516) 12.883 19.192 ( 1.802 1.292 -3.954) 4.533 19.192 ( 1.802 1.292 3.954) 4.533 22.797 ( 6.924 -23.252 -5.512) 24.880 22.797 ( 6.924 -23.252 5.512) 24.880 26.964 ( -23.333 -3.045 -3.148) 23.740 26.964 ( -23.333 -3.045 3.148) 23.740 28.463 ( -12.195 1.200 -3.520) 12.749 28.463 ( -12.195 1.200 3.520) 12.749 29.386 ( 1.952 1.891 -0.758) 2.821 29.386 ( 1.952 1.891 0.758) 2.821 30.086 ( 5.240 -1.224 -1.253) 5.525 30.086 ( 5.240 -1.224 1.253) 5.525 31.929 ( -1.463 -2.153 -2.699) 3.749 31.929 ( -1.463 -2.153 2.699) 3.749 32.217 ( 0.392 5.777 -6.425) 8.649 32.217 ( 0.392 5.777 6.425) 8.649 33.847 ( -4.742 -2.920 -16.637) 17.545 33.847 ( -4.742 -2.920 16.637) 17.545 35.472 ( 21.035 -6.133 -3.269) 22.153 35.472 ( 21.035 -6.133 3.269) 22.153 ======================= Grid point 214 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -9.002 12.657 -23.093) 27.831 2.346 ( -9.002 12.657 23.093) 27.831 2.768 ( -21.653 16.444 -11.640) 29.576 2.768 ( -21.653 16.444 11.640) 29.576 3.189 ( -6.775 19.321 -5.109) 21.102 3.189 ( -6.775 19.321 5.109) 21.102 4.111 ( -1.698 -6.756 -29.153) 29.974 4.111 ( -1.698 -6.756 29.153) 29.974 4.531 ( 8.260 2.724 -16.826) 18.941 4.531 ( 8.260 2.724 16.826) 18.941 4.732 ( -1.051 7.829 -4.354) 9.020 4.732 ( -1.051 7.829 4.354) 9.020 5.020 ( -8.110 8.007 -7.242) 13.503 5.020 ( -8.110 8.007 7.242) 13.503 5.334 ( -4.995 3.941 -9.206) 11.191 5.334 ( -4.995 3.941 9.206) 11.191 5.720 ( 2.877 7.558 -7.466) 11.007 5.720 ( 2.877 7.558 7.466) 11.007 6.019 ( -3.605 -5.566 -11.579) 13.344 6.019 ( -3.605 -5.566 11.579) 13.344 6.318 ( -1.497 6.102 -14.799) 16.077 6.318 ( -1.497 6.102 14.799) 16.077 6.505 ( 5.564 -3.345 -13.572) 15.045 6.505 ( 5.564 -3.345 13.572) 15.045 6.931 ( -9.399 1.015 -8.929) 13.004 6.931 ( -9.399 1.015 8.929) 13.004 7.278 ( 8.267 -2.172 -1.580) 8.693 7.278 ( 8.267 -2.172 1.580) 8.693 7.557 ( -7.535 1.122 -9.731) 12.358 7.557 ( -7.535 1.122 9.731) 12.358 8.401 ( -4.339 -6.049 -13.777) 15.659 8.401 ( -4.339 -6.049 13.777) 15.659 9.173 ( -1.584 4.412 -6.328) 7.875 9.173 ( -1.584 4.412 6.328) 7.875 9.502 ( 3.171 -1.735 -9.977) 10.611 9.502 ( 3.171 -1.735 9.977) 10.611 10.088 ( 8.265 -3.908 -4.178) 10.052 10.088 ( 8.265 -3.908 4.178) 10.052 10.240 ( 2.829 -4.056 -3.931) 6.317 10.240 ( 2.829 -4.056 3.931) 6.317 10.539 ( -6.417 -16.807 -8.955) 20.096 10.539 ( -6.417 -16.807 8.955) 20.096 11.337 ( 0.408 -6.517 -8.956) 11.084 11.337 ( 0.408 -6.517 8.956) 11.084 13.416 ( -1.488 0.579 -5.693) 5.912 13.416 ( -1.488 0.579 5.693) 5.912 13.654 ( 0.403 -1.830 -1.748) 2.563 13.654 ( 0.403 -1.830 1.748) 2.563 15.403 ( -1.918 -0.363 -12.183) 12.338 15.403 ( -1.918 -0.363 12.183) 12.338 15.954 ( 0.286 1.402 -1.108) 1.810 15.954 ( 0.286 1.402 1.108) 1.810 16.566 ( 4.482 5.052 -4.792) 8.281 16.566 ( 4.482 5.052 4.792) 8.281 16.637 ( 0.347 9.652 -7.498) 12.227 16.637 ( 0.347 9.652 7.498) 12.227 18.537 ( -1.522 3.145 -11.874) 12.377 18.537 ( -1.522 3.145 11.874) 12.377 19.225 ( 2.076 -0.969 -4.704) 5.232 19.225 ( 2.076 -0.969 4.704) 5.232 23.226 ( 8.561 -22.038 -13.143) 27.050 23.226 ( 8.561 -22.038 13.143) 27.050 26.650 ( -16.733 -1.326 -0.780) 16.803 26.650 ( -16.733 -1.326 0.780) 16.803 28.260 ( -8.913 1.409 -1.915) 9.225 28.260 ( -8.913 1.409 1.915) 9.225 29.389 ( 1.236 2.025 -2.391) 3.368 29.389 ( 1.236 2.025 2.391) 3.368 30.178 ( 3.168 -1.580 -3.625) 5.067 30.178 ( 3.168 -1.580 3.625) 5.067 31.935 ( -0.846 -1.562 -3.524) 3.946 31.935 ( -0.846 -1.562 3.524) 3.946 32.148 ( -0.062 5.194 -5.039) 7.237 32.148 ( -0.062 5.194 5.039) 7.237 33.781 ( -2.328 4.171 -8.475) 9.728 33.781 ( -2.328 4.171 8.475) 9.728 35.927 ( 15.203 -16.169 -8.227) 23.670 35.927 ( 15.203 -16.169 8.227) 23.670 ======================= Grid point 216 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.000 13.609 -27.163) 30.382 2.070 ( -0.000 13.609 27.163) 30.382 2.372 ( -0.000 16.521 -24.217) 29.315 2.372 ( -0.000 16.521 24.217) 29.315 2.862 ( -0.000 20.989 -2.914) 21.190 2.862 ( -0.000 20.989 2.914) 21.190 4.005 ( -0.000 15.324 -25.510) 29.759 4.005 ( -0.000 15.324 25.510) 29.759 4.561 ( -0.000 12.880 -1.922) 13.023 4.561 ( -0.000 12.880 1.922) 13.023 4.692 ( 0.000 -0.069 -10.047) 10.048 4.692 ( 0.000 -0.069 10.047) 10.048 4.892 ( -0.000 2.993 -14.404) 14.712 4.892 ( -0.000 2.993 14.404) 14.712 5.102 ( -0.000 5.203 -14.657) 15.553 5.102 ( -0.000 5.203 14.657) 15.553 5.732 ( -0.000 1.551 -18.865) 18.928 5.732 ( -0.000 1.551 18.865) 18.928 5.960 ( -0.000 8.808 -25.175) 26.671 5.960 ( -0.000 8.808 25.175) 26.671 6.280 ( 0.000 -5.228 -12.610) 13.650 6.280 ( 0.000 -5.228 12.610) 13.650 6.678 ( -0.000 8.919 -2.650) 9.305 6.678 ( -0.000 8.919 2.650) 9.305 6.842 ( 0.000 -20.168 -11.787) 23.360 6.842 ( 0.000 -20.168 11.787) 23.360 7.379 ( 0.000 -1.082 -6.176) 6.270 7.379 ( 0.000 -1.082 6.176) 6.270 7.532 ( 0.000 -6.601 -20.091) 21.147 7.532 ( 0.000 -6.601 20.091) 21.147 8.487 ( 0.000 -12.492 -6.149) 13.923 8.487 ( 0.000 -12.492 6.149) 13.923 9.068 ( -0.000 8.827 -10.169) 13.465 9.068 ( -0.000 8.827 10.169) 13.465 9.542 ( 0.000 -1.070 -11.720) 11.769 9.542 ( 0.000 -1.070 11.720) 11.769 10.193 ( 0.000 -3.176 -7.862) 8.479 10.193 ( 0.000 -3.176 7.862) 8.479 10.351 ( 0.000 -3.792 -5.715) 6.859 10.351 ( 0.000 -3.792 5.715) 6.859 10.700 ( 0.000 -18.841 -9.716) 21.198 10.700 ( 0.000 -18.841 9.716) 21.198 11.420 ( 0.000 -5.666 -9.917) 11.422 11.420 ( 0.000 -5.666 9.917) 11.422 13.376 ( -0.000 3.227 -3.474) 4.742 13.376 ( -0.000 3.227 3.474) 4.742 13.676 ( 0.000 -0.340 -2.382) 2.406 13.676 ( 0.000 -0.340 2.382) 2.406 15.390 ( 0.000 -0.097 -12.268) 12.268 15.390 ( 0.000 -0.097 12.268) 12.268 15.945 ( -0.000 0.190 -0.430) 0.470 15.945 ( -0.000 0.190 0.430) 0.470 16.471 ( -0.000 10.535 -11.790) 15.811 16.471 ( -0.000 10.535 11.790) 15.811 16.586 ( -0.000 2.632 -10.058) 10.397 16.586 ( -0.000 2.632 10.058) 10.397 18.501 ( -0.000 0.491 -11.060) 11.071 18.501 ( -0.000 0.491 11.060) 11.071 19.264 ( 0.000 -1.167 -5.457) 5.581 19.264 ( 0.000 -1.167 5.457) 5.581 23.576 ( 0.000 -17.402 -23.306) 29.086 23.576 ( 0.000 -17.402 23.306) 29.086 26.494 ( -0.000 0.606 -1.622) 1.731 26.494 ( -0.000 0.606 1.622) 1.731 28.160 ( -0.000 1.566 -1.727) 2.331 28.160 ( -0.000 1.566 1.727) 2.331 29.375 ( -0.000 1.790 -4.905) 5.221 29.375 ( -0.000 1.790 4.905) 5.221 30.220 ( 0.000 -0.440 -4.495) 4.516 30.220 ( 0.000 -0.440 4.495) 4.516 31.938 ( 0.000 -0.084 -2.954) 2.955 31.938 ( 0.000 -0.084 2.954) 2.955 32.094 ( -0.000 2.579 -2.286) 3.446 32.094 ( -0.000 2.579 2.286) 3.446 33.657 ( -0.000 12.380 -3.700) 12.921 33.657 ( -0.000 12.380 3.700) 12.921 36.337 ( 0.000 -25.174 -11.926) 27.856 36.337 ( 0.000 -25.174 11.926) 27.856 ======================= Grid point 226 (70/75) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 5.653 0.000 -1.659) 5.891 2.943 ( 5.653 0.000 1.659) 5.891 3.302 ( -2.811 -0.000 -0.285) 2.825 3.302 ( -2.811 -0.000 0.285) 2.825 3.821 ( -10.648 -0.000 -5.039) 11.780 3.821 ( -10.648 -0.000 5.039) 11.780 4.048 ( 3.507 0.000 -1.861) 3.970 4.048 ( 3.507 0.000 1.861) 3.970 4.315 ( 8.298 0.000 -18.126) 19.935 4.315 ( 8.298 0.000 18.126) 19.935 4.811 ( 2.007 0.000 -11.627) 11.799 4.811 ( 2.007 0.000 11.627) 11.799 5.217 ( -11.235 -0.000 -1.845) 11.385 5.217 ( -11.235 -0.000 1.845) 11.385 5.519 ( 2.617 0.000 -6.492) 6.999 5.519 ( 2.617 0.000 6.492) 6.999 6.019 ( -10.649 -0.000 -3.421) 11.185 6.019 ( -10.649 -0.000 3.421) 11.185 6.219 ( 5.946 0.000 -13.395) 14.656 6.219 ( 5.946 0.000 13.395) 14.656 6.281 ( -2.084 -0.000 -18.231) 18.349 6.281 ( -2.084 -0.000 18.231) 18.349 6.576 ( 7.737 0.000 -1.035) 7.806 6.576 ( 7.737 0.000 1.035) 7.806 7.061 ( -3.912 -0.000 -17.083) 17.525 7.061 ( -3.912 -0.000 17.083) 17.525 7.422 ( -2.458 -0.000 -7.197) 7.605 7.422 ( -2.458 -0.000 7.197) 7.605 8.130 ( -6.269 -0.000 -1.425) 6.429 8.130 ( -6.269 -0.000 1.425) 6.429 8.604 ( -5.260 -0.000 -4.384) 6.848 8.604 ( -5.260 -0.000 4.384) 6.848 9.194 ( -4.377 -0.000 -2.161) 4.882 9.194 ( -4.377 -0.000 2.161) 4.882 9.392 ( -4.019 -0.000 -7.152) 8.204 9.392 ( -4.019 -0.000 7.152) 8.204 9.785 ( 5.969 0.000 -1.148) 6.079 9.785 ( 5.969 0.000 1.148) 6.079 10.096 ( -0.578 -0.000 -5.874) 5.902 10.096 ( -0.578 -0.000 5.874) 5.902 10.295 ( -6.569 -0.000 -4.532) 7.980 10.295 ( -6.569 -0.000 4.532) 7.980 11.120 ( -2.317 -0.000 -5.270) 5.757 11.120 ( -2.317 -0.000 5.270) 5.757 13.333 ( -0.876 -0.000 -5.561) 5.630 13.333 ( -0.876 -0.000 5.561) 5.630 13.613 ( 1.865 0.000 -0.258) 1.883 13.613 ( 1.865 0.000 0.258) 1.883 15.540 ( -7.284 -0.000 -9.054) 11.620 15.540 ( -7.284 -0.000 9.054) 11.620 15.964 ( 3.118 0.000 -8.422) 8.980 15.964 ( 3.118 0.000 8.422) 8.980 16.413 ( 7.918 0.000 -1.098) 7.994 16.413 ( 7.918 0.000 1.098) 7.994 16.938 ( 1.937 0.000 -0.749) 2.077 16.938 ( 1.937 0.000 0.749) 2.077 18.801 ( -1.796 -0.000 -9.394) 9.564 18.801 ( -1.796 -0.000 9.394) 9.564 19.269 ( 3.598 0.000 -0.278) 3.609 19.269 ( 3.598 0.000 0.278) 3.609 22.092 ( 0.862 0.000 -0.007) 0.862 22.092 ( 0.862 0.000 0.007) 0.862 27.297 ( -24.530 -0.000 -3.063) 24.720 27.297 ( -24.530 -0.000 3.063) 24.720 28.661 ( -5.671 -0.000 -10.208) 11.677 28.661 ( -5.671 -0.000 10.208) 11.677 29.400 ( -0.552 -0.000 -2.704) 2.760 29.400 ( -0.552 -0.000 2.704) 2.760 29.993 ( 4.130 0.000 -2.015) 4.596 29.993 ( 4.130 0.000 2.015) 4.596 31.914 ( -2.487 -0.000 -0.240) 2.498 31.914 ( -2.487 -0.000 0.240) 2.498 32.353 ( 1.084 0.000 -5.930) 6.028 32.353 ( 1.084 0.000 5.930) 6.028 33.718 ( -0.432 -0.000 -29.109) 29.113 33.718 ( -0.432 -0.000 29.109) 29.113 35.131 ( 14.518 0.000 -2.944) 14.814 35.131 ( 14.518 0.000 2.944) 14.814 ======================= Grid point 228 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -4.468 6.213 -12.507) 14.663 2.904 ( -4.468 6.213 12.507) 14.663 3.268 ( -13.612 -5.293 -10.421) 17.942 3.268 ( -13.612 -5.293 10.421) 17.942 3.628 ( -6.661 -5.505 -6.676) 10.920 3.628 ( -6.661 -5.505 6.676) 10.920 4.026 ( -8.848 5.520 -5.787) 11.927 4.026 ( -8.848 5.520 5.787) 11.927 4.407 ( 7.897 -1.427 -13.571) 15.766 4.407 ( 7.897 -1.427 13.571) 15.766 4.835 ( 1.478 3.446 -19.665) 20.019 4.835 ( 1.478 3.446 19.665) 20.019 5.086 ( -3.086 -2.174 -5.106) 6.350 5.086 ( -3.086 -2.174 5.106) 6.350 5.549 ( -1.401 3.479 -10.857) 11.487 5.549 ( -1.401 3.479 10.857) 11.487 5.786 ( -7.648 5.781 -4.104) 10.429 5.786 ( -7.648 5.781 4.104) 10.429 6.146 ( -7.804 -3.929 -12.584) 15.319 6.146 ( -7.804 -3.929 12.584) 15.319 6.388 ( 7.667 -1.660 -12.578) 14.824 6.388 ( 7.667 -1.660 12.578) 14.824 6.740 ( 4.826 4.632 -5.963) 8.962 6.740 ( 4.826 4.632 5.963) 8.962 6.972 ( 0.901 2.292 -9.892) 10.194 6.972 ( 0.901 2.292 9.892) 10.194 7.358 ( -2.619 3.422 -5.340) 6.862 7.358 ( -2.619 3.422 5.340) 6.862 7.986 ( -6.505 5.760 -6.359) 10.767 7.986 ( -6.505 5.760 6.359) 10.767 8.473 ( -12.434 -1.784 -8.030) 14.909 8.473 ( -12.434 -1.784 8.030) 14.909 9.127 ( -1.015 -0.367 -3.677) 3.832 9.127 ( -1.015 -0.367 3.677) 3.832 9.378 ( 2.355 0.034 -9.229) 9.524 9.378 ( 2.355 0.034 9.229) 9.524 9.883 ( 5.694 -0.004 -2.472) 6.208 9.883 ( 5.694 -0.004 2.472) 6.208 10.120 ( -0.538 -2.570 -3.751) 4.579 10.120 ( -0.538 -2.570 3.751) 4.579 10.220 ( -4.345 -3.563 -5.885) 8.137 10.220 ( -4.345 -3.563 5.885) 8.137 11.119 ( -0.264 -3.016 -7.316) 7.918 11.119 ( -0.264 -3.016 7.316) 7.918 13.333 ( -1.164 -2.631 -6.578) 7.179 13.333 ( -1.164 -2.631 6.578) 7.179 13.633 ( 0.683 0.236 -0.326) 0.793 13.633 ( 0.683 0.236 0.326) 0.793 15.442 ( -4.395 -0.106 -11.450) 12.265 15.442 ( -4.395 -0.106 11.450) 12.265 16.002 ( 1.996 1.041 -5.688) 6.118 16.002 ( 1.996 1.041 5.688) 6.118 16.543 ( 7.871 0.818 -5.153) 9.443 16.543 ( 7.871 0.818 5.153) 9.443 16.936 ( 0.797 3.549 -2.587) 4.464 16.936 ( 0.797 3.549 2.587) 4.464 18.745 ( -2.656 2.545 -10.976) 11.576 18.745 ( -2.656 2.545 10.976) 11.576 19.285 ( 2.224 4.500 -1.449) 5.224 19.285 ( 2.224 4.500 1.449) 5.224 22.232 ( 3.406 -15.469 -2.776) 16.081 22.232 ( 3.406 -15.469 2.776) 16.081 26.916 ( -21.208 -0.880 -1.109) 21.255 26.916 ( -21.208 -0.880 1.109) 21.255 28.488 ( -12.103 0.614 -3.881) 12.725 28.488 ( -12.103 0.614 3.881) 12.725 29.424 ( 2.421 0.821 -3.205) 4.100 29.424 ( 2.421 0.821 3.205) 4.100 30.060 ( 3.583 -0.612 -0.154) 3.638 30.060 ( 3.583 -0.612 0.154) 3.638 31.884 ( -1.742 -1.053 -1.138) 2.332 31.884 ( -1.742 -1.053 1.138) 2.332 32.346 ( 0.724 3.278 -6.140) 6.998 32.346 ( 0.724 3.278 6.140) 6.998 33.729 ( -1.470 -3.874 -24.531) 24.878 33.729 ( -1.470 -3.874 24.531) 24.878 35.396 ( 15.730 -0.890 -3.653) 16.174 35.396 ( 15.730 -0.890 3.653) 16.174 ======================= Grid point 230 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -16.431 7.450 -21.665) 28.194 2.620 ( -16.431 7.450 21.665) 28.194 3.066 ( -8.877 4.052 -7.475) 12.292 3.066 ( -8.877 4.052 7.475) 12.292 3.595 ( -7.445 6.911 -5.982) 11.788 3.595 ( -7.445 6.911 5.982) 11.788 3.812 ( -1.048 -2.632 -22.835) 23.010 3.812 ( -1.048 -2.632 22.835) 23.010 4.635 ( 6.451 -9.226 -6.577) 13.038 4.635 ( 6.451 -9.226 6.577) 13.038 4.831 ( 4.585 2.982 -21.162) 21.858 4.831 ( 4.585 2.982 21.162) 21.858 5.048 ( -1.670 2.037 -4.018) 4.804 5.048 ( -1.670 2.037 4.018) 4.804 5.315 ( -14.664 4.781 -8.828) 17.771 5.315 ( -14.664 4.781 8.828) 17.771 5.789 ( 8.879 1.274 -10.592) 13.880 5.789 ( 8.879 1.274 10.592) 13.880 6.091 ( -6.049 -3.153 -17.835) 19.095 6.091 ( -6.049 -3.153 17.835) 19.095 6.450 ( -2.308 5.022 -5.062) 7.495 6.450 ( -2.308 5.022 5.062) 7.495 6.620 ( 5.101 12.348 -7.796) 15.468 6.620 ( 5.101 12.348 7.796) 15.468 7.013 ( -1.942 1.107 -3.300) 3.985 7.013 ( -1.942 1.107 3.300) 3.985 7.299 ( 3.461 3.205 -0.268) 4.724 7.299 ( 3.461 3.205 0.268) 4.724 7.756 ( -6.141 12.547 -9.241) 16.749 7.756 ( -6.141 12.547 9.241) 16.749 8.309 ( -8.093 -2.643 -14.803) 17.076 8.309 ( -8.093 -2.643 14.803) 17.076 9.152 ( -1.060 -4.245 -5.406) 6.955 9.152 ( -1.060 -4.245 5.406) 6.955 9.457 ( 4.781 -1.204 -9.030) 10.289 9.457 ( 4.781 -1.204 9.030) 10.289 9.986 ( 4.777 -4.183 -2.990) 7.018 9.986 ( 4.777 -4.183 2.990) 7.018 10.138 ( -1.456 -3.453 -6.557) 7.552 10.138 ( -1.456 -3.453 6.557) 7.552 10.229 ( -3.260 -6.314 -6.093) 9.360 10.229 ( -3.260 -6.314 6.093) 9.360 11.178 ( 0.525 -5.266 -8.617) 10.112 11.178 ( 0.525 -5.266 8.617) 10.112 13.357 ( -0.981 -3.769 -7.640) 8.575 13.357 ( -0.981 -3.769 7.640) 8.575 13.635 ( 0.146 0.271 -0.767) 0.826 13.635 ( 0.146 0.271 0.767) 0.826 15.394 ( -1.805 -0.297 -13.122) 13.249 15.394 ( -1.805 -0.297 13.122) 13.249 16.004 ( 0.791 2.075 -3.306) 3.983 16.004 ( 0.791 2.075 3.306) 3.983 16.639 ( 5.273 1.932 -8.546) 10.226 16.639 ( 5.273 1.932 8.546) 10.226 16.878 ( -0.069 6.501 -6.703) 9.338 16.878 ( -0.069 6.501 6.703) 9.338 18.658 ( -1.850 4.701 -11.872) 12.902 18.658 ( -1.850 4.701 11.872) 12.902 19.255 ( 1.352 3.993 -1.619) 4.516 19.255 ( 1.352 3.993 1.619) 4.516 22.566 ( 3.790 -25.657 -5.832) 26.583 22.566 ( 3.790 -25.657 5.832) 26.583 26.630 ( -13.328 -0.379 -0.778) 13.356 26.630 ( -13.328 -0.379 0.778) 13.356 28.297 ( -8.267 1.273 -2.364) 8.692 28.297 ( -8.267 1.273 2.364) 8.692 29.439 ( 1.162 1.586 -0.458) 2.019 29.439 ( 1.162 1.586 0.458) 2.019 30.127 ( 2.335 -1.872 -2.472) 3.882 30.127 ( 2.335 -1.872 2.472) 3.882 31.883 ( -0.794 -1.950 -2.491) 3.262 31.883 ( -0.794 -1.950 2.491) 3.262 32.299 ( 0.367 5.459 -6.726) 8.670 32.299 ( 0.367 5.459 6.726) 8.670 33.759 ( -1.042 -3.764 -18.905) 19.304 33.759 ( -1.042 -3.764 18.905) 19.304 35.660 ( 10.473 -5.520 -1.460) 11.928 35.660 ( 10.473 -5.520 1.460) 11.928 ======================= Grid point 232 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -0.000 8.403 -26.998) 28.276 2.349 ( -0.000 8.403 26.998) 28.276 2.841 ( -0.000 17.462 -8.223) 19.301 2.841 ( -0.000 17.462 8.223) 19.301 3.357 ( -0.000 15.810 -7.164) 17.358 3.357 ( -0.000 15.810 7.164) 17.358 3.958 ( 0.000 -14.791 -22.635) 27.039 3.958 ( 0.000 -14.791 22.635) 27.039 4.702 ( -0.000 8.115 -21.306) 22.799 4.702 ( -0.000 8.115 21.306) 22.799 4.813 ( -0.000 6.349 -10.015) 11.858 4.813 ( -0.000 6.349 10.015) 11.858 5.014 ( -0.000 6.003 -3.503) 6.950 5.014 ( -0.000 6.003 3.503) 6.950 5.227 ( 0.000 -15.014 -1.198) 15.062 5.227 ( 0.000 -15.014 1.198) 15.062 5.829 ( -0.000 5.842 -10.739) 12.226 5.829 ( -0.000 5.842 10.739) 12.226 6.013 ( -0.000 8.146 -6.664) 10.525 6.013 ( -0.000 8.146 6.664) 10.525 6.353 ( 0.000 -1.134 -5.164) 5.286 6.353 ( 0.000 -1.134 5.164) 5.286 6.576 ( -0.000 7.194 -16.744) 18.224 6.576 ( -0.000 7.194 16.744) 18.224 6.895 ( -0.000 7.167 -2.218) 7.502 6.895 ( -0.000 7.167 2.218) 7.502 7.349 ( 0.000 -1.021 -5.816) 5.905 7.349 ( 0.000 -1.021 5.816) 5.905 7.541 ( -0.000 9.176 -4.669) 10.296 7.541 ( -0.000 9.176 4.669) 10.296 8.291 ( 0.000 -4.503 -15.919) 16.543 8.291 ( 0.000 -4.503 15.919) 16.543 9.180 ( 0.000 -1.158 -4.354) 4.505 9.180 ( 0.000 -1.158 4.354) 4.505 9.514 ( 0.000 -1.032 -9.885) 9.938 9.514 ( 0.000 -1.032 9.885) 9.938 10.123 ( 0.000 -2.112 -8.289) 8.554 10.123 ( 0.000 -2.112 8.289) 8.554 10.219 ( 0.000 -16.426 -8.945) 18.703 10.219 ( 0.000 -16.426 8.945) 18.703 10.251 ( 0.000 -3.760 -3.580) 5.192 10.251 ( 0.000 -3.760 3.580) 5.192 11.259 ( 0.000 -6.399 -9.346) 11.327 11.259 ( 0.000 -6.399 9.346) 11.327 13.390 ( 0.000 -2.495 -7.708) 8.102 13.390 ( 0.000 -2.495 7.708) 8.102 13.638 ( 0.000 -0.780 -0.812) 1.126 13.638 ( 0.000 -0.780 0.812) 1.126 15.384 ( 0.000 -0.329 -13.414) 13.418 15.384 ( 0.000 -0.329 13.414) 13.418 15.981 ( -0.000 2.282 -1.723) 2.860 15.981 ( -0.000 2.282 1.723) 2.860 16.657 ( -0.000 2.650 -10.675) 11.000 16.657 ( -0.000 2.650 10.675) 11.000 16.769 ( -0.000 10.119 -11.239) 15.123 16.769 ( -0.000 10.119 11.239) 15.123 18.577 ( -0.000 5.021 -12.053) 13.057 18.577 ( -0.000 5.021 12.053) 13.057 19.238 ( -0.000 0.675 -1.954) 2.068 19.238 ( -0.000 0.675 1.954) 2.068 22.959 ( 0.000 -28.580 -9.820) 30.220 22.959 ( 0.000 -28.580 9.820) 30.220 26.509 ( -0.000 0.514 -1.824) 1.895 26.509 ( -0.000 0.514 1.824) 1.895 28.205 ( -0.000 1.752 -2.054) 2.699 28.205 ( -0.000 1.752 2.054) 2.699 29.425 ( -0.000 1.965 -1.484) 2.462 29.425 ( -0.000 1.965 1.484) 2.462 30.176 ( 0.000 -2.417 -3.776) 4.483 30.176 ( 0.000 -2.417 3.776) 4.483 31.903 ( 0.000 -2.147 -3.427) 4.044 31.903 ( 0.000 -2.147 3.427) 4.044 32.224 ( -0.000 6.351 -6.560) 9.131 32.224 ( -0.000 6.351 6.560) 9.131 33.782 ( 0.000 -1.010 -13.598) 13.636 33.782 ( 0.000 -1.010 13.598) 13.636 35.866 ( 0.000 -11.842 -2.368) 12.077 35.866 ( 0.000 -11.842 2.368) 12.077 ======================= Grid point 246 (74/75) ======================= q-point: ( 0.44 -0.56 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -19.925 -0.000 -22.475) 30.035 2.717 ( -19.925 -0.000 22.475) 30.035 3.057 ( -4.818 -0.000 -8.305) 9.602 3.057 ( -4.818 -0.000 8.305) 9.602 3.583 ( 4.232 0.000 -0.251) 4.239 3.583 ( 4.232 0.000 0.251) 4.239 3.877 ( -11.373 -0.000 -0.343) 11.379 3.877 ( -11.373 -0.000 0.343) 11.379 4.498 ( 4.502 0.000 -13.350) 14.089 4.498 ( 4.502 0.000 13.350) 14.089 4.902 ( 1.227 0.000 -23.251) 23.283 4.902 ( 1.227 0.000 23.251) 23.283 5.081 ( 4.497 0.000 -4.507) 6.367 5.081 ( 4.497 0.000 4.507) 6.367 5.382 ( -13.597 -0.000 -8.327) 15.944 5.382 ( -13.597 -0.000 8.327) 15.944 5.873 ( -5.459 -0.000 -12.460) 13.604 5.873 ( -5.459 -0.000 12.460) 13.604 5.941 ( 2.610 0.000 -2.512) 3.622 5.941 ( 2.610 0.000 2.512) 3.622 6.541 ( 8.122 0.000 -19.925) 21.517 6.541 ( 8.122 0.000 19.925) 21.517 6.838 ( -0.279 -0.000 -13.666) 13.669 6.838 ( -0.279 -0.000 13.666) 13.669 7.004 ( 2.271 0.000 -1.831) 2.917 7.004 ( 2.271 0.000 1.831) 2.917 7.344 ( -0.979 -0.000 -0.148) 0.990 7.344 ( -0.979 -0.000 0.148) 0.990 7.933 ( -4.068 -0.000 -9.493) 10.328 7.933 ( -4.068 -0.000 9.493) 10.328 8.282 ( -8.702 -0.000 -3.591) 9.414 8.282 ( -8.702 -0.000 3.591) 9.414 9.088 ( -2.032 -0.000 -5.660) 6.013 9.088 ( -2.032 -0.000 5.660) 6.013 9.445 ( 4.657 0.000 -8.244) 9.469 9.445 ( 4.657 0.000 8.244) 9.469 9.915 ( -0.578 -0.000 -3.812) 3.856 9.915 ( -0.578 -0.000 3.812) 3.856 10.097 ( -0.798 -0.000 -5.179) 5.240 10.097 ( -0.798 -0.000 5.179) 5.240 10.161 ( -0.123 -0.000 -4.815) 4.817 10.161 ( -0.123 -0.000 4.815) 4.817 11.104 ( 0.485 0.000 -8.498) 8.512 11.104 ( 0.485 0.000 8.498) 8.512 13.299 ( -0.737 -0.000 -6.795) 6.835 13.299 ( -0.737 -0.000 6.795) 6.835 13.641 ( 0.141 0.000 -0.113) 0.181 13.641 ( 0.141 0.000 0.113) 0.181 15.390 ( -1.843 -0.000 -13.489) 13.615 15.390 ( -1.843 -0.000 13.489) 13.615 16.035 ( 1.025 0.000 -4.688) 4.799 16.035 ( 1.025 0.000 4.688) 4.799 16.665 ( 5.520 0.000 -9.074) 10.621 16.665 ( 5.520 0.000 9.074) 10.621 16.956 ( -0.568 -0.000 -3.523) 3.569 16.956 ( -0.568 -0.000 3.523) 3.569 18.718 ( -2.019 -0.000 -11.969) 12.138 18.718 ( -2.019 -0.000 11.969) 12.138 19.347 ( 1.124 0.000 -2.639) 2.868 19.347 ( 1.124 0.000 2.639) 2.868 22.180 ( 2.626 0.000 -4.514) 5.222 22.180 ( 2.626 0.000 4.514) 5.222 26.626 ( -12.335 -0.000 -1.130) 12.387 26.626 ( -12.335 -0.000 1.130) 12.387 28.315 ( -8.079 -0.000 -2.532) 8.466 28.315 ( -8.079 -0.000 2.532) 8.466 29.460 ( 1.133 0.000 -1.309) 1.731 29.460 ( 1.133 0.000 1.309) 1.731 30.101 ( 1.947 0.000 -1.776) 2.636 30.101 ( 1.947 0.000 1.776) 2.636 31.855 ( -0.821 -0.000 -1.295) 1.533 31.855 ( -0.821 -0.000 1.295) 1.533 32.377 ( 0.345 0.000 -5.300) 5.312 32.377 ( 0.345 0.000 5.300) 5.312 33.693 ( -0.231 -0.000 -22.409) 22.410 33.693 ( -0.231 -0.000 22.409) 22.410 35.598 ( 8.939 0.000 -4.395) 9.961 35.598 ( 8.939 0.000 4.395) 9.961 ======================= Grid point 250 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -0.000 2.969 -25.810) 25.980 2.496 ( -0.000 2.969 25.810) 25.980 3.035 ( 0.000 -0.851 -13.675) 13.702 3.035 ( 0.000 -0.851 13.675) 13.702 3.624 ( -0.000 5.077 -7.693) 9.217 3.624 ( -0.000 5.077 7.693) 9.217 3.760 ( 0.000 -2.178 -17.885) 18.017 3.760 ( 0.000 -2.178 17.885) 18.017 4.574 ( 0.000 -6.252 -6.749) 9.200 4.574 ( 0.000 -6.252 6.749) 9.200 4.904 ( -0.000 1.377 -24.691) 24.729 4.904 ( -0.000 1.377 24.691) 24.729 5.147 ( -0.000 3.357 -11.885) 12.350 5.147 ( -0.000 3.357 11.885) 12.350 5.177 ( -0.000 4.872 -21.637) 22.179 5.177 ( -0.000 4.872 21.637) 22.179 5.863 ( 0.000 -9.494 -18.037) 20.383 5.863 ( 0.000 -9.494 18.037) 20.383 5.973 ( -0.000 3.836 -3.446) 5.157 5.973 ( -0.000 3.836 3.446) 5.157 6.560 ( -0.000 8.561 -14.101) 16.496 6.560 ( -0.000 8.561 14.101) 16.496 6.790 ( -0.000 5.426 -10.360) 11.695 6.790 ( -0.000 5.426 10.360) 11.695 7.011 ( -0.000 1.904 -1.512) 2.432 7.011 ( -0.000 1.904 1.512) 2.432 7.338 ( -0.000 0.099 -4.910) 4.911 7.338 ( -0.000 0.099 4.910) 4.911 7.851 ( -0.000 7.998 -8.916) 11.978 7.851 ( -0.000 7.998 8.916) 11.978 8.206 ( 0.000 -1.089 -9.306) 9.370 8.206 ( 0.000 -1.089 9.306) 9.370 9.090 ( 0.000 -3.116 -6.819) 7.497 9.090 ( 0.000 -3.116 6.819) 7.497 9.495 ( 0.000 -0.404 -7.894) 7.905 9.495 ( 0.000 -0.404 7.894) 7.905 9.937 ( 0.000 -5.558 -6.076) 8.235 9.937 ( 0.000 -5.558 6.076) 8.235 10.090 ( 0.000 -0.542 -8.414) 8.432 10.090 ( 0.000 -0.542 8.414) 8.432 10.177 ( 0.000 -1.640 -1.262) 2.069 10.177 ( 0.000 -1.640 1.262) 2.069 11.129 ( 0.000 -3.035 -8.885) 9.389 11.129 ( 0.000 -3.035 8.885) 9.389 13.308 ( 0.000 -2.360 -7.212) 7.588 13.308 ( 0.000 -2.360 7.212) 7.588 13.640 ( -0.000 0.296 -0.506) 0.586 13.640 ( -0.000 0.296 0.506) 0.586 15.376 ( 0.000 -0.184 -14.138) 14.139 15.376 ( 0.000 -0.184 14.138) 14.139 16.034 ( -0.000 1.356 -3.896) 4.125 16.034 ( -0.000 1.356 3.896) 4.125 16.708 ( -0.000 1.125 -11.251) 11.307 16.708 ( -0.000 1.125 11.251) 11.307 16.931 ( -0.000 2.797 -6.336) 6.926 16.931 ( -0.000 2.797 6.336) 6.926 18.686 ( -0.000 2.293 -12.277) 12.489 18.686 ( -0.000 2.293 12.277) 12.489 19.324 ( -0.000 4.373 -2.728) 5.155 19.324 ( -0.000 4.373 2.728) 5.155 22.315 ( 0.000 -16.721 -5.512) 17.606 22.315 ( 0.000 -16.721 5.512) 17.606 26.519 ( -0.000 0.196 -1.955) 1.965 26.519 ( -0.000 0.196 1.955) 1.965 28.240 ( -0.000 0.797 -2.380) 2.510 28.240 ( -0.000 0.797 2.380) 2.510 29.463 ( -0.000 0.846 -0.109) 0.853 29.463 ( -0.000 0.846 0.109) 0.853 30.125 ( 0.000 -1.184 -2.667) 2.917 30.125 ( 0.000 -1.184 2.667) 2.917 31.856 ( 0.000 -1.140 -1.916) 2.229 31.856 ( 0.000 -1.140 1.916) 2.229 32.359 ( -0.000 3.205 -5.853) 6.673 32.359 ( -0.000 3.205 5.853) 6.673 33.710 ( 0.000 -2.619 -20.537) 20.704 33.710 ( 0.000 -2.619 20.537) 20.704 35.692 ( 0.000 -2.818 -3.702) 4.652 35.692 ( 0.000 -2.818 3.702) 4.652 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25272 10.0 846.526 643.720 294.332 0.000 0.000 -0.000 3/25272 20.0 364.085 193.668 210.154 0.000 0.000 -0.000 3/25272 30.0 176.948 88.129 108.579 0.000 0.000 -0.000 3/25272 40.0 98.532 49.184 61.077 0.000 0.000 -0.000 3/25272 50.0 62.971 31.976 39.685 0.000 0.000 -0.000 3/25272 60.0 44.453 23.042 28.582 0.000 0.000 -0.000 3/25272 70.0 33.661 17.805 22.066 0.000 0.000 -0.000 3/25272 80.0 26.810 14.449 17.882 0.000 0.000 -0.000 3/25272 90.0 22.166 12.148 15.009 0.000 0.000 -0.000 3/25272 100.0 18.852 10.486 12.931 0.000 0.000 -0.000 3/25272 110.0 16.388 9.234 11.367 0.000 0.000 -0.000 3/25272 120.0 14.495 8.259 10.149 0.000 0.000 -0.000 3/25272 130.0 12.999 7.480 9.177 0.000 0.000 -0.000 3/25272 140.0 11.792 6.844 8.383 0.000 0.000 -0.000 3/25272 150.0 10.798 6.315 7.723 0.000 0.000 -0.000 3/25272 160.0 9.968 5.868 7.166 0.000 0.000 -0.000 3/25272 170.0 9.264 5.486 6.689 0.000 0.000 -0.000 3/25272 180.0 8.662 5.156 6.277 0.000 0.000 -0.000 3/25272 190.0 8.141 4.868 5.916 0.000 0.000 -0.000 3/25272 200.0 7.686 4.614 5.599 0.000 0.000 -0.000 3/25272 210.0 7.286 4.390 5.317 0.000 0.000 -0.000 3/25272 220.0 6.931 4.189 5.065 0.000 0.000 -0.000 3/25272 230.0 6.615 4.009 4.838 0.000 0.000 -0.000 3/25272 240.0 6.331 3.846 4.634 0.000 0.000 -0.000 3/25272 250.0 6.075 3.698 4.447 0.000 0.000 -0.000 3/25272 260.0 5.843 3.564 4.277 0.000 0.000 -0.000 3/25272 270.0 5.632 3.440 4.121 0.000 0.000 -0.000 3/25272 280.0 5.438 3.327 3.978 0.000 0.000 -0.000 3/25272 290.0 5.260 3.222 3.845 0.000 0.000 -0.000 3/25272 300.0 5.096 3.125 3.722 0.000 0.000 -0.000 3/25272 310.0 4.943 3.034 3.608 0.000 0.000 -0.000 3/25272 320.0 4.802 2.950 3.501 0.000 0.000 -0.000 3/25272 330.0 4.670 2.871 3.401 0.000 0.000 -0.000 3/25272 340.0 4.546 2.797 3.307 0.000 0.000 -0.000 3/25272 350.0 4.431 2.727 3.219 0.000 0.000 -0.000 3/25272 360.0 4.322 2.662 3.136 0.000 0.000 -0.000 3/25272 370.0 4.219 2.599 3.058 0.000 0.000 -0.000 3/25272 380.0 4.121 2.541 2.984 0.000 0.000 -0.000 3/25272 390.0 4.029 2.485 2.914 0.000 0.000 -0.000 3/25272 400.0 3.942 2.432 2.847 0.000 0.000 -0.000 3/25272 410.0 3.859 2.381 2.783 0.000 0.000 -0.000 3/25272 420.0 3.779 2.333 2.723 0.000 0.000 -0.000 3/25272 430.0 3.704 2.286 2.665 0.000 0.000 -0.000 3/25272 440.0 3.631 2.242 2.610 0.000 0.000 -0.000 3/25272 450.0 3.562 2.200 2.557 0.000 0.000 -0.000 3/25272 460.0 3.495 2.159 2.507 0.000 0.000 -0.000 3/25272 470.0 3.432 2.120 2.458 0.000 0.000 -0.000 3/25272 480.0 3.370 2.082 2.412 0.000 0.000 -0.000 3/25272 490.0 3.311 2.046 2.367 0.000 0.000 -0.000 3/25272 500.0 3.254 2.011 2.324 0.000 0.000 -0.000 3/25272 510.0 3.200 1.977 2.282 0.000 0.000 -0.000 3/25272 520.0 3.147 1.945 2.242 0.000 0.000 -0.000 3/25272 530.0 3.096 1.914 2.204 0.000 0.000 -0.000 3/25272 540.0 3.046 1.883 2.167 0.000 0.000 -0.000 3/25272 550.0 2.998 1.854 2.131 0.000 0.000 -0.000 3/25272 560.0 2.952 1.825 2.096 0.000 0.000 -0.000 3/25272 570.0 2.907 1.798 2.063 0.000 0.000 -0.000 3/25272 580.0 2.864 1.771 2.030 0.000 0.000 -0.000 3/25272 590.0 2.822 1.745 1.999 0.000 0.000 -0.000 3/25272 600.0 2.781 1.720 1.968 0.000 0.000 -0.000 3/25272 610.0 2.741 1.695 1.939 0.000 0.000 -0.000 3/25272 620.0 2.702 1.671 1.910 0.000 0.000 -0.000 3/25272 630.0 2.665 1.648 1.882 0.000 0.000 -0.000 3/25272 640.0 2.628 1.626 1.855 0.000 0.000 -0.000 3/25272 650.0 2.593 1.604 1.829 0.000 0.000 -0.000 3/25272 660.0 2.558 1.582 1.803 0.000 0.000 -0.000 3/25272 670.0 2.524 1.562 1.778 0.000 0.000 -0.000 3/25272 680.0 2.492 1.541 1.754 0.000 0.000 -0.000 3/25272 690.0 2.460 1.522 1.731 0.000 0.000 -0.000 3/25272 700.0 2.429 1.502 1.708 0.000 0.000 -0.000 3/25272 710.0 2.398 1.483 1.686 0.000 0.000 -0.000 3/25272 720.0 2.368 1.465 1.664 0.000 0.000 -0.000 3/25272 730.0 2.340 1.447 1.643 0.000 0.000 -0.000 3/25272 740.0 2.311 1.430 1.622 0.000 0.000 -0.000 3/25272 750.0 2.284 1.413 1.602 0.000 0.000 -0.000 3/25272 760.0 2.257 1.396 1.582 0.000 0.000 -0.000 3/25272 770.0 2.230 1.380 1.563 0.000 0.000 -0.000 3/25272 780.0 2.205 1.364 1.545 0.000 0.000 -0.000 3/25272 790.0 2.179 1.348 1.526 0.000 0.000 -0.000 3/25272 800.0 2.155 1.333 1.508 0.000 0.000 -0.000 3/25272 810.0 2.131 1.318 1.491 0.000 0.000 -0.000 3/25272 820.0 2.107 1.304 1.474 0.000 0.000 -0.000 3/25272 830.0 2.084 1.289 1.457 0.000 0.000 -0.000 3/25272 840.0 2.062 1.276 1.441 0.000 0.000 -0.000 3/25272 850.0 2.040 1.262 1.425 0.000 0.000 -0.000 3/25272 860.0 2.018 1.249 1.409 0.000 0.000 -0.000 3/25272 870.0 1.997 1.235 1.394 0.000 0.000 -0.000 3/25272 880.0 1.976 1.223 1.379 0.000 0.000 -0.000 3/25272 890.0 1.956 1.210 1.365 0.000 0.000 -0.000 3/25272 900.0 1.936 1.198 1.350 0.000 0.000 -0.000 3/25272 910.0 1.916 1.186 1.336 0.000 0.000 -0.000 3/25272 920.0 1.897 1.174 1.322 0.000 0.000 -0.000 3/25272 930.0 1.878 1.162 1.309 0.000 0.000 -0.000 3/25272 940.0 1.860 1.151 1.296 0.000 0.000 -0.000 3/25272 950.0 1.842 1.140 1.283 0.000 0.000 -0.000 3/25272 960.0 1.824 1.129 1.270 0.000 0.000 -0.000 3/25272 970.0 1.807 1.118 1.258 0.000 0.000 -0.000 3/25272 980.0 1.790 1.107 1.246 0.000 0.000 -0.000 3/25272 990.0 1.773 1.097 1.234 0.000 0.000 -0.000 3/25272 1000.0 1.756 1.087 1.222 0.000 0.000 -0.000 3/25272 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:05:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|