----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:14:34]------------------------- 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: [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.316478999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.421583830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.992486840000000 Atomic positions (fractional): *1 O 0.93083656786559 0.25000000000000 0.92545342077972 15.999 2 O 0.06916343213440 0.75000000000000 0.07454657922029 15.999 3 O 0.43083656786559 0.25000000000000 0.57454657922028 15.999 4 O 0.56916343213441 0.75000000000000 0.42545342077971 15.999 *5 O 0.01818867866351 0.25000000000000 0.28254102777829 15.999 6 O 0.98181132133649 0.75000000000000 0.71745897222171 15.999 7 O 0.51818867866351 0.25000000000000 0.21745897222171 15.999 8 O 0.48181132133649 0.75000000000000 0.78254102777829 15.999 *9 O 0.61524725280898 0.25000000000000 0.98250243699360 15.999 10 O 0.38475274719102 0.75000000000000 0.01749756300640 15.999 11 O 0.11524725280898 0.25000000000000 0.51749756300640 15.999 12 O 0.88475274719102 0.75000000000000 0.48250243699360 15.999 *13 O 0.78997474252209 0.75000000000000 0.15832869499028 15.999 14 O 0.21002525747791 0.25000000000000 0.84167130500972 15.999 15 O 0.28997474252209 0.75000000000000 0.34167130500972 15.999 16 O 0.71002525747791 0.25000000000000 0.65832869499028 15.999 *17 Ba 0.24722540160889 0.75000000000000 0.64969610215042 137.327 18 Ba 0.75277459839111 0.25000000000000 0.35030389784958 137.327 19 Ba 0.74722540160889 0.75000000000000 0.85030389784958 137.327 20 Ba 0.25277459839111 0.25000000000000 0.14969610215042 137.327 *21 Ho 0.92267125045115 0.25000000000000 0.60900302675673 164.930 22 Ho 0.07732874954885 0.75000000000000 0.39099697324327 164.930 23 Ho 0.42267125045115 0.25000000000000 0.89099697324327 164.930 24 Ho 0.57732874954885 0.75000000000000 0.10900302675673 164.930 *25 Ho 0.57440894653978 0.75000000000000 0.61053784432800 164.930 26 Ho 0.42559105346022 0.25000000000000 0.38946215567200 164.930 27 Ho 0.07440894653978 0.75000000000000 0.88946215567200 164.930 28 Ho 0.92559105346022 0.25000000000000 0.11053784432800 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.316478999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.421583830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.992486840000000 Atomic positions (fractional): *1 O 0.93083656786559 0.25000000000000 0.92545342077972 15.999 > 1 2 O 0.06916343213440 0.75000000000000 0.07454657922029 15.999 > 2 3 O 0.43083656786559 0.25000000000000 0.57454657922028 15.999 > 3 4 O 0.56916343213441 0.75000000000000 0.42545342077971 15.999 > 4 *5 O 0.01818867866351 0.25000000000000 0.28254102777829 15.999 > 5 6 O 0.98181132133649 0.75000000000000 0.71745897222171 15.999 > 6 7 O 0.51818867866351 0.25000000000000 0.21745897222171 15.999 > 7 8 O 0.48181132133649 0.75000000000000 0.78254102777829 15.999 > 8 *9 O 0.61524725280898 0.25000000000000 0.98250243699360 15.999 > 9 10 O 0.38475274719102 0.75000000000000 0.01749756300640 15.999 > 10 11 O 0.11524725280898 0.25000000000000 0.51749756300640 15.999 > 11 12 O 0.88475274719102 0.75000000000000 0.48250243699360 15.999 > 12 *13 O 0.78997474252209 0.75000000000000 0.15832869499028 15.999 > 13 14 O 0.21002525747791 0.25000000000000 0.84167130500972 15.999 > 14 15 O 0.28997474252209 0.75000000000000 0.34167130500972 15.999 > 15 16 O 0.71002525747791 0.25000000000000 0.65832869499028 15.999 > 16 *17 Ba 0.24722540160889 0.75000000000000 0.64969610215042 137.327 > 17 18 Ba 0.75277459839111 0.25000000000000 0.35030389784958 137.327 > 18 19 Ba 0.74722540160889 0.75000000000000 0.85030389784958 137.327 > 19 20 Ba 0.25277459839111 0.25000000000000 0.14969610215042 137.327 > 20 *21 Ho 0.92267125045115 0.25000000000000 0.60900302675673 164.930 > 21 22 Ho 0.07732874954885 0.75000000000000 0.39099697324327 164.930 > 22 23 Ho 0.42267125045115 0.25000000000000 0.89099697324327 164.930 > 23 24 Ho 0.57732874954885 0.75000000000000 0.10900302675673 164.930 > 24 *25 Ho 0.57440894653978 0.75000000000000 0.61053784432800 164.930 > 25 26 Ho 0.42559105346022 0.25000000000000 0.38946215567200 164.930 > 26 27 Ho 0.07440894653978 0.75000000000000 0.88946215567200 164.930 > 27 28 Ho 0.92559105346022 0.25000000000000 0.11053784432800 164.930 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.316478999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.686335320000005 0.000000000000000 c 0.000000000000000 0.000000000000000 11.992486840000000 Atomic positions (fractional): *1 O 0.93083656786559 0.06250000000000 0.92545342077972 15.999 > 1 2 O 0.93083656786559 0.31250000000000 0.92545342077972 15.999 > 1 3 O 0.93083656786559 0.56250000000000 0.92545342077972 15.999 > 1 4 O 0.93083656786559 0.81250000000000 0.92545342077972 15.999 > 1 5 O 0.06916343213440 0.18750000000000 0.07454657922029 15.999 > 2 6 O 0.06916343213440 0.43750000000000 0.07454657922029 15.999 > 2 7 O 0.06916343213440 0.68750000000000 0.07454657922029 15.999 > 2 8 O 0.06916343213440 0.93750000000000 0.07454657922029 15.999 > 2 9 O 0.43083656786559 0.06250000000000 0.57454657922028 15.999 > 3 10 O 0.43083656786559 0.31250000000000 0.57454657922028 15.999 > 3 11 O 0.43083656786559 0.56250000000000 0.57454657922028 15.999 > 3 12 O 0.43083656786559 0.81250000000000 0.57454657922028 15.999 > 3 13 O 0.56916343213441 0.18750000000000 0.42545342077971 15.999 > 4 14 O 0.56916343213441 0.43750000000000 0.42545342077971 15.999 > 4 15 O 0.56916343213441 0.68750000000000 0.42545342077971 15.999 > 4 16 O 0.56916343213441 0.93750000000000 0.42545342077971 15.999 > 4 *17 O 0.01818867866351 0.06250000000000 0.28254102777829 15.999 > 5 18 O 0.01818867866351 0.31250000000000 0.28254102777829 15.999 > 5 19 O 0.01818867866351 0.56250000000000 0.28254102777829 15.999 > 5 20 O 0.01818867866351 0.81250000000000 0.28254102777829 15.999 > 5 21 O 0.98181132133649 0.18750000000000 0.71745897222171 15.999 > 6 22 O 0.98181132133649 0.43750000000000 0.71745897222171 15.999 > 6 23 O 0.98181132133649 0.68750000000000 0.71745897222171 15.999 > 6 24 O 0.98181132133649 0.93750000000000 0.71745897222171 15.999 > 6 25 O 0.51818867866351 0.06250000000000 0.21745897222171 15.999 > 7 26 O 0.51818867866351 0.31250000000000 0.21745897222171 15.999 > 7 27 O 0.51818867866351 0.56250000000000 0.21745897222171 15.999 > 7 28 O 0.51818867866351 0.81250000000000 0.21745897222171 15.999 > 7 29 O 0.48181132133649 0.18750000000000 0.78254102777829 15.999 > 8 30 O 0.48181132133649 0.43750000000000 0.78254102777829 15.999 > 8 31 O 0.48181132133649 0.68750000000000 0.78254102777829 15.999 > 8 32 O 0.48181132133649 0.93750000000000 0.78254102777829 15.999 > 8 *33 O 0.61524725280898 0.06250000000000 0.98250243699360 15.999 > 9 34 O 0.61524725280898 0.31250000000000 0.98250243699360 15.999 > 9 35 O 0.61524725280898 0.56250000000000 0.98250243699360 15.999 > 9 36 O 0.61524725280898 0.81250000000000 0.98250243699360 15.999 > 9 37 O 0.38475274719102 0.18750000000000 0.01749756300640 15.999 > 10 38 O 0.38475274719102 0.43750000000000 0.01749756300640 15.999 > 10 39 O 0.38475274719102 0.68750000000000 0.01749756300640 15.999 > 10 40 O 0.38475274719102 0.93750000000000 0.01749756300640 15.999 > 10 41 O 0.11524725280898 0.06250000000000 0.51749756300640 15.999 > 11 42 O 0.11524725280898 0.31250000000000 0.51749756300640 15.999 > 11 43 O 0.11524725280898 0.56250000000000 0.51749756300640 15.999 > 11 44 O 0.11524725280898 0.81250000000000 0.51749756300640 15.999 > 11 45 O 0.88475274719102 0.18750000000000 0.48250243699360 15.999 > 12 46 O 0.88475274719102 0.43750000000000 0.48250243699360 15.999 > 12 47 O 0.88475274719102 0.68750000000000 0.48250243699360 15.999 > 12 48 O 0.88475274719102 0.93750000000000 0.48250243699360 15.999 > 12 *49 O 0.78997474252209 0.18750000000000 0.15832869499028 15.999 > 13 50 O 0.78997474252209 0.43750000000000 0.15832869499028 15.999 > 13 51 O 0.78997474252209 0.68750000000000 0.15832869499028 15.999 > 13 52 O 0.78997474252209 0.93750000000000 0.15832869499028 15.999 > 13 53 O 0.21002525747791 0.06250000000000 0.84167130500972 15.999 > 14 54 O 0.21002525747791 0.31250000000000 0.84167130500972 15.999 > 14 55 O 0.21002525747791 0.56250000000000 0.84167130500972 15.999 > 14 56 O 0.21002525747791 0.81250000000000 0.84167130500972 15.999 > 14 57 O 0.28997474252209 0.18750000000000 0.34167130500972 15.999 > 15 58 O 0.28997474252209 0.43750000000000 0.34167130500972 15.999 > 15 59 O 0.28997474252209 0.68750000000000 0.34167130500972 15.999 > 15 60 O 0.28997474252209 0.93750000000000 0.34167130500972 15.999 > 15 61 O 0.71002525747791 0.06250000000000 0.65832869499028 15.999 > 16 62 O 0.71002525747791 0.31250000000000 0.65832869499028 15.999 > 16 63 O 0.71002525747791 0.56250000000000 0.65832869499028 15.999 > 16 64 O 0.71002525747791 0.81250000000000 0.65832869499028 15.999 > 16 *65 Ba 0.24722540160889 0.18750000000000 0.64969610215042 137.327 > 17 66 Ba 0.24722540160889 0.43750000000000 0.64969610215042 137.327 > 17 67 Ba 0.24722540160889 0.68750000000000 0.64969610215042 137.327 > 17 68 Ba 0.24722540160889 0.93750000000000 0.64969610215042 137.327 > 17 69 Ba 0.75277459839111 0.06250000000000 0.35030389784958 137.327 > 18 70 Ba 0.75277459839111 0.31250000000000 0.35030389784958 137.327 > 18 71 Ba 0.75277459839111 0.56250000000000 0.35030389784958 137.327 > 18 72 Ba 0.75277459839111 0.81250000000000 0.35030389784958 137.327 > 18 73 Ba 0.74722540160889 0.18750000000000 0.85030389784958 137.327 > 19 74 Ba 0.74722540160889 0.43750000000000 0.85030389784958 137.327 > 19 75 Ba 0.74722540160889 0.68750000000000 0.85030389784958 137.327 > 19 76 Ba 0.74722540160889 0.93750000000000 0.85030389784958 137.327 > 19 77 Ba 0.25277459839111 0.06250000000000 0.14969610215042 137.327 > 20 78 Ba 0.25277459839111 0.31250000000000 0.14969610215042 137.327 > 20 79 Ba 0.25277459839111 0.56250000000000 0.14969610215042 137.327 > 20 80 Ba 0.25277459839111 0.81250000000000 0.14969610215042 137.327 > 20 *81 Ho 0.92267125045115 0.06250000000000 0.60900302675673 164.930 > 21 82 Ho 0.92267125045115 0.31250000000000 0.60900302675673 164.930 > 21 83 Ho 0.92267125045115 0.56250000000000 0.60900302675673 164.930 > 21 84 Ho 0.92267125045115 0.81250000000000 0.60900302675673 164.930 > 21 85 Ho 0.07732874954885 0.18750000000000 0.39099697324327 164.930 > 22 86 Ho 0.07732874954885 0.43750000000000 0.39099697324327 164.930 > 22 87 Ho 0.07732874954885 0.68750000000000 0.39099697324327 164.930 > 22 88 Ho 0.07732874954885 0.93750000000000 0.39099697324327 164.930 > 22 89 Ho 0.42267125045115 0.06250000000000 0.89099697324327 164.930 > 23 90 Ho 0.42267125045115 0.31250000000000 0.89099697324327 164.930 > 23 91 Ho 0.42267125045115 0.56250000000000 0.89099697324327 164.930 > 23 92 Ho 0.42267125045115 0.81250000000000 0.89099697324327 164.930 > 23 93 Ho 0.57732874954885 0.18750000000000 0.10900302675673 164.930 > 24 94 Ho 0.57732874954885 0.43750000000000 0.10900302675673 164.930 > 24 95 Ho 0.57732874954885 0.68750000000000 0.10900302675673 164.930 > 24 96 Ho 0.57732874954885 0.93750000000000 0.10900302675673 164.930 > 24 *97 Ho 0.57440894653978 0.18750000000000 0.61053784432800 164.930 > 25 98 Ho 0.57440894653978 0.43750000000000 0.61053784432800 164.930 > 25 99 Ho 0.57440894653978 0.68750000000000 0.61053784432800 164.930 > 25 100 Ho 0.57440894653978 0.93750000000000 0.61053784432800 164.930 > 25 101 Ho 0.42559105346022 0.06250000000000 0.38946215567200 164.930 > 26 102 Ho 0.42559105346022 0.31250000000000 0.38946215567200 164.930 > 26 103 Ho 0.42559105346022 0.56250000000000 0.38946215567200 164.930 > 26 104 Ho 0.42559105346022 0.81250000000000 0.38946215567200 164.930 > 26 105 Ho 0.07440894653978 0.18750000000000 0.88946215567200 164.930 > 27 106 Ho 0.07440894653978 0.43750000000000 0.88946215567200 164.930 > 27 107 Ho 0.07440894653978 0.68750000000000 0.88946215567200 164.930 > 27 108 Ho 0.07440894653978 0.93750000000000 0.88946215567200 164.930 > 27 109 Ho 0.92559105346022 0.06250000000000 0.11053784432800 164.930 > 28 110 Ho 0.92559105346022 0.31250000000000 0.11053784432800 164.930 > 28 111 Ho 0.92559105346022 0.56250000000000 0.11053784432800 164.930 > 28 112 Ho 0.92559105346022 0.81250000000000 0.11053784432800 164.930 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3650451 0.0000000 0.0000000 0.0000000 4.5044324 0.0000000 0.0000000 0.0000000 4.3829921 -------------------------- Born effective charges -------------------------- 1 O -2.5028746 0.0000000 -0.1389411 0.0000000 -2.7717419 0.0000000 0.0352139 0.0000000 -2.5134770 2 O -2.5028746 0.0000000 -0.1389411 0.0000000 -2.7717419 0.0000000 0.0352139 0.0000000 -2.5134770 3 O -2.5028746 0.0000000 0.1389411 0.0000000 -2.7717419 0.0000000 -0.0352139 0.0000000 -2.5134770 4 O -2.5028746 0.0000000 0.1389411 0.0000000 -2.7717419 0.0000000 -0.0352139 0.0000000 -2.5134770 5 O -2.1692539 0.0000000 -0.2865206 0.0000000 -2.5270912 0.0000000 -0.4205713 0.0000000 -3.0143203 6 O -2.1692539 0.0000000 -0.2865206 0.0000000 -2.5270912 0.0000000 -0.4205713 0.0000000 -3.0143203 7 O -2.1692539 0.0000000 0.2865206 0.0000000 -2.5270912 0.0000000 0.4205713 0.0000000 -3.0143203 8 O -2.1692539 0.0000000 0.2865206 0.0000000 -2.5270912 0.0000000 0.4205713 0.0000000 -3.0143203 9 O -2.4190971 0.0000000 0.1000968 0.0000000 -2.7553626 0.0000000 0.1135964 0.0000000 -2.5535326 10 O -2.4190971 0.0000000 0.1000968 0.0000000 -2.7553626 0.0000000 0.1135964 0.0000000 -2.5535326 11 O -2.4190971 0.0000000 -0.1000968 0.0000000 -2.7553626 0.0000000 -0.1135964 0.0000000 -2.5535326 12 O -2.4190971 0.0000000 -0.1000968 0.0000000 -2.7553626 0.0000000 -0.1135964 0.0000000 -2.5535326 13 O -2.9462618 0.0000000 0.0892564 0.0000000 -2.7187271 0.0000000 0.0783642 0.0000000 -2.0898336 14 O -2.9462618 0.0000000 0.0892564 0.0000000 -2.7187271 0.0000000 0.0783642 0.0000000 -2.0898336 15 O -2.9462618 0.0000000 -0.0892564 0.0000000 -2.7187271 0.0000000 -0.0783642 0.0000000 -2.0898336 16 O -2.9462618 0.0000000 -0.0892564 0.0000000 -2.7187271 0.0000000 -0.0783642 0.0000000 -2.0898336 17 Ba 2.8934719 0.0000000 0.1041255 0.0000000 2.5288725 0.0000000 0.0854529 0.0000000 2.5880260 18 Ba 2.8934719 0.0000000 0.1041255 0.0000000 2.5288725 0.0000000 0.0854529 0.0000000 2.5880260 19 Ba 2.8934719 0.0000000 -0.1041255 0.0000000 2.5288725 0.0000000 -0.0854529 0.0000000 2.5880260 20 Ba 2.8934719 0.0000000 -0.1041255 0.0000000 2.5288725 0.0000000 -0.0854529 0.0000000 2.5880260 21 Ho 3.6044642 0.0000000 -0.2254904 0.0000000 4.1929620 0.0000000 -0.1527551 0.0000000 3.6008380 22 Ho 3.6044642 0.0000000 -0.2254904 0.0000000 4.1929620 0.0000000 -0.1527551 0.0000000 3.6008380 23 Ho 3.6044642 0.0000000 0.2254904 0.0000000 4.1929620 0.0000000 0.1527551 0.0000000 3.6008380 24 Ho 3.6044642 0.0000000 0.2254904 0.0000000 4.1929620 0.0000000 0.1527551 0.0000000 3.6008380 25 Ho 3.5395513 0.0000000 0.1494697 0.0000000 4.0510883 0.0000000 0.1487204 0.0000000 3.9822995 26 Ho 3.5395513 0.0000000 0.1494697 0.0000000 4.0510883 0.0000000 0.1487204 0.0000000 3.9822995 27 Ho 3.5395513 0.0000000 -0.1494697 0.0000000 4.0510883 0.0000000 -0.1487204 0.0000000 3.9822995 28 Ho 3.5395513 0.0000000 -0.1494697 0.0000000 4.0510883 0.0000000 -0.1487204 0.0000000 3.9822995 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.109 Solver_block: 200 / 480 - Time: 3.076 Solver_block: 300 / 480 - Time: 3.064 Solver_block: 400 / 480 - Time: 3.073 Solver_block: 480 / 480 - Time: 2.487 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.864 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), 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 03:15:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:15:09]------------------------- 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): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.316478999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.421583830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.992486840000000 Atomic positions (fractional): 1 O 0.93083656786559 0.25000000000000 0.92545342077972 15.999 2 O 0.06916343213440 0.75000000000000 0.07454657922029 15.999 3 O 0.43083656786559 0.25000000000000 0.57454657922028 15.999 4 O 0.56916343213441 0.75000000000000 0.42545342077971 15.999 5 O 0.01818867866351 0.25000000000000 0.28254102777829 15.999 6 O 0.98181132133649 0.75000000000000 0.71745897222171 15.999 7 O 0.51818867866351 0.25000000000000 0.21745897222171 15.999 8 O 0.48181132133649 0.75000000000000 0.78254102777829 15.999 9 O 0.61524725280898 0.25000000000000 0.98250243699360 15.999 10 O 0.38475274719102 0.75000000000000 0.01749756300640 15.999 11 O 0.11524725280898 0.25000000000000 0.51749756300640 15.999 12 O 0.88475274719102 0.75000000000000 0.48250243699360 15.999 13 O 0.78997474252209 0.75000000000000 0.15832869499028 15.999 14 O 0.21002525747791 0.25000000000000 0.84167130500972 15.999 15 O 0.28997474252209 0.75000000000000 0.34167130500972 15.999 16 O 0.71002525747791 0.25000000000000 0.65832869499028 15.999 17 Ba 0.24722540160889 0.75000000000000 0.64969610215042 137.327 18 Ba 0.75277459839111 0.25000000000000 0.35030389784958 137.327 19 Ba 0.74722540160889 0.75000000000000 0.85030389784958 137.327 20 Ba 0.25277459839111 0.25000000000000 0.14969610215042 137.327 21 Ho 0.92267125045115 0.25000000000000 0.60900302675673 164.930 22 Ho 0.07732874954885 0.75000000000000 0.39099697324327 164.930 23 Ho 0.42267125045115 0.25000000000000 0.89099697324327 164.930 24 Ho 0.57732874954885 0.75000000000000 0.10900302675673 164.930 25 Ho 0.57440894653978 0.75000000000000 0.61053784432800 164.930 26 Ho 0.42559105346022 0.25000000000000 0.38946215567200 164.930 27 Ho 0.07440894653978 0.75000000000000 0.88946215567200 164.930 28 Ho 0.92559105346022 0.25000000000000 0.11053784432800 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.316478999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.686335320000005 0.000000000000000 c 0.000000000000000 0.000000000000000 11.992486840000000 Atomic positions (fractional): 1 O 0.93083656786559 0.06250000000000 0.92545342077972 15.999 > 1 2 O 0.93083656786559 0.31250000000000 0.92545342077972 15.999 > 1 3 O 0.93083656786559 0.56250000000000 0.92545342077972 15.999 > 1 4 O 0.93083656786559 0.81250000000000 0.92545342077972 15.999 > 1 5 O 0.06916343213440 0.18750000000000 0.07454657922029 15.999 > 5 6 O 0.06916343213440 0.43750000000000 0.07454657922029 15.999 > 5 7 O 0.06916343213440 0.68750000000000 0.07454657922029 15.999 > 5 8 O 0.06916343213440 0.93750000000000 0.07454657922029 15.999 > 5 9 O 0.43083656786559 0.06250000000000 0.57454657922028 15.999 > 9 10 O 0.43083656786559 0.31250000000000 0.57454657922028 15.999 > 9 11 O 0.43083656786559 0.56250000000000 0.57454657922028 15.999 > 9 12 O 0.43083656786559 0.81250000000000 0.57454657922028 15.999 > 9 13 O 0.56916343213441 0.18750000000000 0.42545342077971 15.999 > 13 14 O 0.56916343213441 0.43750000000000 0.42545342077971 15.999 > 13 15 O 0.56916343213441 0.68750000000000 0.42545342077971 15.999 > 13 16 O 0.56916343213441 0.93750000000000 0.42545342077971 15.999 > 13 17 O 0.01818867866351 0.06250000000000 0.28254102777829 15.999 > 17 18 O 0.01818867866351 0.31250000000000 0.28254102777829 15.999 > 17 19 O 0.01818867866351 0.56250000000000 0.28254102777829 15.999 > 17 20 O 0.01818867866351 0.81250000000000 0.28254102777829 15.999 > 17 21 O 0.98181132133649 0.18750000000000 0.71745897222171 15.999 > 21 22 O 0.98181132133649 0.43750000000000 0.71745897222171 15.999 > 21 23 O 0.98181132133649 0.68750000000000 0.71745897222171 15.999 > 21 24 O 0.98181132133649 0.93750000000000 0.71745897222171 15.999 > 21 25 O 0.51818867866351 0.06250000000000 0.21745897222171 15.999 > 25 26 O 0.51818867866351 0.31250000000000 0.21745897222171 15.999 > 25 27 O 0.51818867866351 0.56250000000000 0.21745897222171 15.999 > 25 28 O 0.51818867866351 0.81250000000000 0.21745897222171 15.999 > 25 29 O 0.48181132133649 0.18750000000000 0.78254102777829 15.999 > 29 30 O 0.48181132133649 0.43750000000000 0.78254102777829 15.999 > 29 31 O 0.48181132133649 0.68750000000000 0.78254102777829 15.999 > 29 32 O 0.48181132133649 0.93750000000000 0.78254102777829 15.999 > 29 33 O 0.61524725280898 0.06250000000000 0.98250243699360 15.999 > 33 34 O 0.61524725280898 0.31250000000000 0.98250243699360 15.999 > 33 35 O 0.61524725280898 0.56250000000000 0.98250243699360 15.999 > 33 36 O 0.61524725280898 0.81250000000000 0.98250243699360 15.999 > 33 37 O 0.38475274719102 0.18750000000000 0.01749756300640 15.999 > 37 38 O 0.38475274719102 0.43750000000000 0.01749756300640 15.999 > 37 39 O 0.38475274719102 0.68750000000000 0.01749756300640 15.999 > 37 40 O 0.38475274719102 0.93750000000000 0.01749756300640 15.999 > 37 41 O 0.11524725280898 0.06250000000000 0.51749756300640 15.999 > 41 42 O 0.11524725280898 0.31250000000000 0.51749756300640 15.999 > 41 43 O 0.11524725280898 0.56250000000000 0.51749756300640 15.999 > 41 44 O 0.11524725280898 0.81250000000000 0.51749756300640 15.999 > 41 45 O 0.88475274719102 0.18750000000000 0.48250243699360 15.999 > 45 46 O 0.88475274719102 0.43750000000000 0.48250243699360 15.999 > 45 47 O 0.88475274719102 0.68750000000000 0.48250243699360 15.999 > 45 48 O 0.88475274719102 0.93750000000000 0.48250243699360 15.999 > 45 49 O 0.78997474252209 0.18750000000000 0.15832869499028 15.999 > 49 50 O 0.78997474252209 0.43750000000000 0.15832869499028 15.999 > 49 51 O 0.78997474252209 0.68750000000000 0.15832869499028 15.999 > 49 52 O 0.78997474252209 0.93750000000000 0.15832869499028 15.999 > 49 53 O 0.21002525747791 0.06250000000000 0.84167130500972 15.999 > 53 54 O 0.21002525747791 0.31250000000000 0.84167130500972 15.999 > 53 55 O 0.21002525747791 0.56250000000000 0.84167130500972 15.999 > 53 56 O 0.21002525747791 0.81250000000000 0.84167130500972 15.999 > 53 57 O 0.28997474252209 0.18750000000000 0.34167130500972 15.999 > 57 58 O 0.28997474252209 0.43750000000000 0.34167130500972 15.999 > 57 59 O 0.28997474252209 0.68750000000000 0.34167130500972 15.999 > 57 60 O 0.28997474252209 0.93750000000000 0.34167130500972 15.999 > 57 61 O 0.71002525747791 0.06250000000000 0.65832869499028 15.999 > 61 62 O 0.71002525747791 0.31250000000000 0.65832869499028 15.999 > 61 63 O 0.71002525747791 0.56250000000000 0.65832869499028 15.999 > 61 64 O 0.71002525747791 0.81250000000000 0.65832869499028 15.999 > 61 65 Ba 0.24722540160889 0.18750000000000 0.64969610215042 137.327 > 65 66 Ba 0.24722540160889 0.43750000000000 0.64969610215042 137.327 > 65 67 Ba 0.24722540160889 0.68750000000000 0.64969610215042 137.327 > 65 68 Ba 0.24722540160889 0.93750000000000 0.64969610215042 137.327 > 65 69 Ba 0.75277459839111 0.06250000000000 0.35030389784958 137.327 > 69 70 Ba 0.75277459839111 0.31250000000000 0.35030389784958 137.327 > 69 71 Ba 0.75277459839111 0.56250000000000 0.35030389784958 137.327 > 69 72 Ba 0.75277459839111 0.81250000000000 0.35030389784958 137.327 > 69 73 Ba 0.74722540160889 0.18750000000000 0.85030389784958 137.327 > 73 74 Ba 0.74722540160889 0.43750000000000 0.85030389784958 137.327 > 73 75 Ba 0.74722540160889 0.68750000000000 0.85030389784958 137.327 > 73 76 Ba 0.74722540160889 0.93750000000000 0.85030389784958 137.327 > 73 77 Ba 0.25277459839111 0.06250000000000 0.14969610215042 137.327 > 77 78 Ba 0.25277459839111 0.31250000000000 0.14969610215042 137.327 > 77 79 Ba 0.25277459839111 0.56250000000000 0.14969610215042 137.327 > 77 80 Ba 0.25277459839111 0.81250000000000 0.14969610215042 137.327 > 77 81 Ho 0.92267125045115 0.06250000000000 0.60900302675673 164.930 > 81 82 Ho 0.92267125045115 0.31250000000000 0.60900302675673 164.930 > 81 83 Ho 0.92267125045115 0.56250000000000 0.60900302675673 164.930 > 81 84 Ho 0.92267125045115 0.81250000000000 0.60900302675673 164.930 > 81 85 Ho 0.07732874954885 0.18750000000000 0.39099697324327 164.930 > 85 86 Ho 0.07732874954885 0.43750000000000 0.39099697324327 164.930 > 85 87 Ho 0.07732874954885 0.68750000000000 0.39099697324327 164.930 > 85 88 Ho 0.07732874954885 0.93750000000000 0.39099697324327 164.930 > 85 89 Ho 0.42267125045115 0.06250000000000 0.89099697324327 164.930 > 89 90 Ho 0.42267125045115 0.31250000000000 0.89099697324327 164.930 > 89 91 Ho 0.42267125045115 0.56250000000000 0.89099697324327 164.930 > 89 92 Ho 0.42267125045115 0.81250000000000 0.89099697324327 164.930 > 89 93 Ho 0.57732874954885 0.18750000000000 0.10900302675673 164.930 > 93 94 Ho 0.57732874954885 0.43750000000000 0.10900302675673 164.930 > 93 95 Ho 0.57732874954885 0.68750000000000 0.10900302675673 164.930 > 93 96 Ho 0.57732874954885 0.93750000000000 0.10900302675673 164.930 > 93 97 Ho 0.57440894653978 0.18750000000000 0.61053784432800 164.930 > 97 98 Ho 0.57440894653978 0.43750000000000 0.61053784432800 164.930 > 97 99 Ho 0.57440894653978 0.68750000000000 0.61053784432800 164.930 > 97 100 Ho 0.57440894653978 0.93750000000000 0.61053784432800 164.930 > 97 101 Ho 0.42559105346022 0.06250000000000 0.38946215567200 164.930 > 101 102 Ho 0.42559105346022 0.31250000000000 0.38946215567200 164.930 > 101 103 Ho 0.42559105346022 0.56250000000000 0.38946215567200 164.930 > 101 104 Ho 0.42559105346022 0.81250000000000 0.38946215567200 164.930 > 101 105 Ho 0.07440894653978 0.18750000000000 0.88946215567200 164.930 > 105 106 Ho 0.07440894653978 0.43750000000000 0.88946215567200 164.930 > 105 107 Ho 0.07440894653978 0.68750000000000 0.88946215567200 164.930 > 105 108 Ho 0.07440894653978 0.93750000000000 0.88946215567200 164.930 > 105 109 Ho 0.92559105346022 0.06250000000000 0.11053784432800 164.930 > 109 110 Ho 0.92559105346022 0.31250000000000 0.11053784432800 164.930 > 109 111 Ho 0.92559105346022 0.56250000000000 0.11053784432800 164.930 > 109 112 Ho 0.92559105346022 0.81250000000000 0.11053784432800 164.930 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3650451 0.0000000 0.0000000 0.0000000 4.5044324 0.0000000 0.0000000 0.0000000 4.3829921 -------------------------- Born effective charges -------------------------- 1 O -2.5028746 0.0000000 -0.1389411 0.0000000 -2.7717419 0.0000000 0.0352139 0.0000000 -2.5134770 2 O -2.5028746 0.0000000 -0.1389411 0.0000000 -2.7717419 0.0000000 0.0352139 0.0000000 -2.5134770 3 O -2.5028746 0.0000000 0.1389411 0.0000000 -2.7717419 0.0000000 -0.0352139 0.0000000 -2.5134770 4 O -2.5028746 0.0000000 0.1389411 0.0000000 -2.7717419 0.0000000 -0.0352139 0.0000000 -2.5134770 5 O -2.1692539 0.0000000 -0.2865206 0.0000000 -2.5270912 0.0000000 -0.4205713 0.0000000 -3.0143203 6 O -2.1692539 0.0000000 -0.2865206 0.0000000 -2.5270912 0.0000000 -0.4205713 0.0000000 -3.0143203 7 O -2.1692539 0.0000000 0.2865206 0.0000000 -2.5270912 0.0000000 0.4205713 0.0000000 -3.0143203 8 O -2.1692539 0.0000000 0.2865206 0.0000000 -2.5270912 0.0000000 0.4205713 0.0000000 -3.0143203 9 O -2.4190971 0.0000000 0.1000968 0.0000000 -2.7553626 0.0000000 0.1135964 0.0000000 -2.5535326 10 O -2.4190971 0.0000000 0.1000968 0.0000000 -2.7553626 0.0000000 0.1135964 0.0000000 -2.5535326 11 O -2.4190971 0.0000000 -0.1000968 0.0000000 -2.7553626 0.0000000 -0.1135964 0.0000000 -2.5535326 12 O -2.4190971 0.0000000 -0.1000968 0.0000000 -2.7553626 0.0000000 -0.1135964 0.0000000 -2.5535326 13 O -2.9462618 0.0000000 0.0892564 0.0000000 -2.7187271 0.0000000 0.0783642 0.0000000 -2.0898336 14 O -2.9462618 0.0000000 0.0892564 0.0000000 -2.7187271 0.0000000 0.0783642 0.0000000 -2.0898336 15 O -2.9462618 0.0000000 -0.0892564 0.0000000 -2.7187271 0.0000000 -0.0783642 0.0000000 -2.0898336 16 O -2.9462618 0.0000000 -0.0892564 0.0000000 -2.7187271 0.0000000 -0.0783642 0.0000000 -2.0898336 17 Ba 2.8934719 0.0000000 0.1041255 0.0000000 2.5288725 0.0000000 0.0854529 0.0000000 2.5880260 18 Ba 2.8934719 0.0000000 0.1041255 0.0000000 2.5288725 0.0000000 0.0854529 0.0000000 2.5880260 19 Ba 2.8934719 0.0000000 -0.1041255 0.0000000 2.5288725 0.0000000 -0.0854529 0.0000000 2.5880260 20 Ba 2.8934719 0.0000000 -0.1041255 0.0000000 2.5288725 0.0000000 -0.0854529 0.0000000 2.5880260 21 Ho 3.6044642 0.0000000 -0.2254904 0.0000000 4.1929620 0.0000000 -0.1527551 0.0000000 3.6008380 22 Ho 3.6044642 0.0000000 -0.2254904 0.0000000 4.1929620 0.0000000 -0.1527551 0.0000000 3.6008380 23 Ho 3.6044642 0.0000000 0.2254904 0.0000000 4.1929620 0.0000000 0.1527551 0.0000000 3.6008380 24 Ho 3.6044642 0.0000000 0.2254904 0.0000000 4.1929620 0.0000000 0.1527551 0.0000000 3.6008380 25 Ho 3.5395513 0.0000000 0.1494697 0.0000000 4.0510883 0.0000000 0.1487204 0.0000000 3.9822995 26 Ho 3.5395513 0.0000000 0.1494697 0.0000000 4.0510883 0.0000000 0.1487204 0.0000000 3.9822995 27 Ho 3.5395513 0.0000000 -0.1494697 0.0000000 4.0510883 0.0000000 -0.1487204 0.0000000 3.9822995 28 Ho 3.5395513 0.0000000 -0.1494697 0.0000000 4.0510883 0.0000000 -0.1487204 0.0000000 3.9822995 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 03:15:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:15:34]------------------------- 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): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.316478999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.421583830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.992486840000000 Atomic positions (fractional): 1 O 0.93083656786559 0.25000000000000 0.92545342077972 15.999 2 O 0.06916343213440 0.75000000000000 0.07454657922029 15.999 3 O 0.43083656786559 0.25000000000000 0.57454657922028 15.999 4 O 0.56916343213441 0.75000000000000 0.42545342077971 15.999 5 O 0.01818867866351 0.25000000000000 0.28254102777829 15.999 6 O 0.98181132133649 0.75000000000000 0.71745897222171 15.999 7 O 0.51818867866351 0.25000000000000 0.21745897222171 15.999 8 O 0.48181132133649 0.75000000000000 0.78254102777829 15.999 9 O 0.61524725280898 0.25000000000000 0.98250243699360 15.999 10 O 0.38475274719102 0.75000000000000 0.01749756300640 15.999 11 O 0.11524725280898 0.25000000000000 0.51749756300640 15.999 12 O 0.88475274719102 0.75000000000000 0.48250243699360 15.999 13 O 0.78997474252209 0.75000000000000 0.15832869499028 15.999 14 O 0.21002525747791 0.25000000000000 0.84167130500972 15.999 15 O 0.28997474252209 0.75000000000000 0.34167130500972 15.999 16 O 0.71002525747791 0.25000000000000 0.65832869499028 15.999 17 Ba 0.24722540160889 0.75000000000000 0.64969610215042 137.327 18 Ba 0.75277459839111 0.25000000000000 0.35030389784958 137.327 19 Ba 0.74722540160889 0.75000000000000 0.85030389784958 137.327 20 Ba 0.25277459839111 0.25000000000000 0.14969610215042 137.327 21 Ho 0.92267125045115 0.25000000000000 0.60900302675673 164.930 22 Ho 0.07732874954885 0.75000000000000 0.39099697324327 164.930 23 Ho 0.42267125045115 0.25000000000000 0.89099697324327 164.930 24 Ho 0.57732874954885 0.75000000000000 0.10900302675673 164.930 25 Ho 0.57440894653978 0.75000000000000 0.61053784432800 164.930 26 Ho 0.42559105346022 0.25000000000000 0.38946215567200 164.930 27 Ho 0.07440894653978 0.75000000000000 0.88946215567200 164.930 28 Ho 0.92559105346022 0.25000000000000 0.11053784432800 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.316478999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.686335320000005 0.000000000000000 c 0.000000000000000 0.000000000000000 11.992486840000000 Atomic positions (fractional): 1 O 0.93083656786559 0.06250000000000 0.92545342077972 15.999 > 1 2 O 0.93083656786559 0.31250000000000 0.92545342077972 15.999 > 1 3 O 0.93083656786559 0.56250000000000 0.92545342077972 15.999 > 1 4 O 0.93083656786559 0.81250000000000 0.92545342077972 15.999 > 1 5 O 0.06916343213440 0.18750000000000 0.07454657922029 15.999 > 5 6 O 0.06916343213440 0.43750000000000 0.07454657922029 15.999 > 5 7 O 0.06916343213440 0.68750000000000 0.07454657922029 15.999 > 5 8 O 0.06916343213440 0.93750000000000 0.07454657922029 15.999 > 5 9 O 0.43083656786559 0.06250000000000 0.57454657922028 15.999 > 9 10 O 0.43083656786559 0.31250000000000 0.57454657922028 15.999 > 9 11 O 0.43083656786559 0.56250000000000 0.57454657922028 15.999 > 9 12 O 0.43083656786559 0.81250000000000 0.57454657922028 15.999 > 9 13 O 0.56916343213441 0.18750000000000 0.42545342077971 15.999 > 13 14 O 0.56916343213441 0.43750000000000 0.42545342077971 15.999 > 13 15 O 0.56916343213441 0.68750000000000 0.42545342077971 15.999 > 13 16 O 0.56916343213441 0.93750000000000 0.42545342077971 15.999 > 13 17 O 0.01818867866351 0.06250000000000 0.28254102777829 15.999 > 17 18 O 0.01818867866351 0.31250000000000 0.28254102777829 15.999 > 17 19 O 0.01818867866351 0.56250000000000 0.28254102777829 15.999 > 17 20 O 0.01818867866351 0.81250000000000 0.28254102777829 15.999 > 17 21 O 0.98181132133649 0.18750000000000 0.71745897222171 15.999 > 21 22 O 0.98181132133649 0.43750000000000 0.71745897222171 15.999 > 21 23 O 0.98181132133649 0.68750000000000 0.71745897222171 15.999 > 21 24 O 0.98181132133649 0.93750000000000 0.71745897222171 15.999 > 21 25 O 0.51818867866351 0.06250000000000 0.21745897222171 15.999 > 25 26 O 0.51818867866351 0.31250000000000 0.21745897222171 15.999 > 25 27 O 0.51818867866351 0.56250000000000 0.21745897222171 15.999 > 25 28 O 0.51818867866351 0.81250000000000 0.21745897222171 15.999 > 25 29 O 0.48181132133649 0.18750000000000 0.78254102777829 15.999 > 29 30 O 0.48181132133649 0.43750000000000 0.78254102777829 15.999 > 29 31 O 0.48181132133649 0.68750000000000 0.78254102777829 15.999 > 29 32 O 0.48181132133649 0.93750000000000 0.78254102777829 15.999 > 29 33 O 0.61524725280898 0.06250000000000 0.98250243699360 15.999 > 33 34 O 0.61524725280898 0.31250000000000 0.98250243699360 15.999 > 33 35 O 0.61524725280898 0.56250000000000 0.98250243699360 15.999 > 33 36 O 0.61524725280898 0.81250000000000 0.98250243699360 15.999 > 33 37 O 0.38475274719102 0.18750000000000 0.01749756300640 15.999 > 37 38 O 0.38475274719102 0.43750000000000 0.01749756300640 15.999 > 37 39 O 0.38475274719102 0.68750000000000 0.01749756300640 15.999 > 37 40 O 0.38475274719102 0.93750000000000 0.01749756300640 15.999 > 37 41 O 0.11524725280898 0.06250000000000 0.51749756300640 15.999 > 41 42 O 0.11524725280898 0.31250000000000 0.51749756300640 15.999 > 41 43 O 0.11524725280898 0.56250000000000 0.51749756300640 15.999 > 41 44 O 0.11524725280898 0.81250000000000 0.51749756300640 15.999 > 41 45 O 0.88475274719102 0.18750000000000 0.48250243699360 15.999 > 45 46 O 0.88475274719102 0.43750000000000 0.48250243699360 15.999 > 45 47 O 0.88475274719102 0.68750000000000 0.48250243699360 15.999 > 45 48 O 0.88475274719102 0.93750000000000 0.48250243699360 15.999 > 45 49 O 0.78997474252209 0.18750000000000 0.15832869499028 15.999 > 49 50 O 0.78997474252209 0.43750000000000 0.15832869499028 15.999 > 49 51 O 0.78997474252209 0.68750000000000 0.15832869499028 15.999 > 49 52 O 0.78997474252209 0.93750000000000 0.15832869499028 15.999 > 49 53 O 0.21002525747791 0.06250000000000 0.84167130500972 15.999 > 53 54 O 0.21002525747791 0.31250000000000 0.84167130500972 15.999 > 53 55 O 0.21002525747791 0.56250000000000 0.84167130500972 15.999 > 53 56 O 0.21002525747791 0.81250000000000 0.84167130500972 15.999 > 53 57 O 0.28997474252209 0.18750000000000 0.34167130500972 15.999 > 57 58 O 0.28997474252209 0.43750000000000 0.34167130500972 15.999 > 57 59 O 0.28997474252209 0.68750000000000 0.34167130500972 15.999 > 57 60 O 0.28997474252209 0.93750000000000 0.34167130500972 15.999 > 57 61 O 0.71002525747791 0.06250000000000 0.65832869499028 15.999 > 61 62 O 0.71002525747791 0.31250000000000 0.65832869499028 15.999 > 61 63 O 0.71002525747791 0.56250000000000 0.65832869499028 15.999 > 61 64 O 0.71002525747791 0.81250000000000 0.65832869499028 15.999 > 61 65 Ba 0.24722540160889 0.18750000000000 0.64969610215042 137.327 > 65 66 Ba 0.24722540160889 0.43750000000000 0.64969610215042 137.327 > 65 67 Ba 0.24722540160889 0.68750000000000 0.64969610215042 137.327 > 65 68 Ba 0.24722540160889 0.93750000000000 0.64969610215042 137.327 > 65 69 Ba 0.75277459839111 0.06250000000000 0.35030389784958 137.327 > 69 70 Ba 0.75277459839111 0.31250000000000 0.35030389784958 137.327 > 69 71 Ba 0.75277459839111 0.56250000000000 0.35030389784958 137.327 > 69 72 Ba 0.75277459839111 0.81250000000000 0.35030389784958 137.327 > 69 73 Ba 0.74722540160889 0.18750000000000 0.85030389784958 137.327 > 73 74 Ba 0.74722540160889 0.43750000000000 0.85030389784958 137.327 > 73 75 Ba 0.74722540160889 0.68750000000000 0.85030389784958 137.327 > 73 76 Ba 0.74722540160889 0.93750000000000 0.85030389784958 137.327 > 73 77 Ba 0.25277459839111 0.06250000000000 0.14969610215042 137.327 > 77 78 Ba 0.25277459839111 0.31250000000000 0.14969610215042 137.327 > 77 79 Ba 0.25277459839111 0.56250000000000 0.14969610215042 137.327 > 77 80 Ba 0.25277459839111 0.81250000000000 0.14969610215042 137.327 > 77 81 Ho 0.92267125045115 0.06250000000000 0.60900302675673 164.930 > 81 82 Ho 0.92267125045115 0.31250000000000 0.60900302675673 164.930 > 81 83 Ho 0.92267125045115 0.56250000000000 0.60900302675673 164.930 > 81 84 Ho 0.92267125045115 0.81250000000000 0.60900302675673 164.930 > 81 85 Ho 0.07732874954885 0.18750000000000 0.39099697324327 164.930 > 85 86 Ho 0.07732874954885 0.43750000000000 0.39099697324327 164.930 > 85 87 Ho 0.07732874954885 0.68750000000000 0.39099697324327 164.930 > 85 88 Ho 0.07732874954885 0.93750000000000 0.39099697324327 164.930 > 85 89 Ho 0.42267125045115 0.06250000000000 0.89099697324327 164.930 > 89 90 Ho 0.42267125045115 0.31250000000000 0.89099697324327 164.930 > 89 91 Ho 0.42267125045115 0.56250000000000 0.89099697324327 164.930 > 89 92 Ho 0.42267125045115 0.81250000000000 0.89099697324327 164.930 > 89 93 Ho 0.57732874954885 0.18750000000000 0.10900302675673 164.930 > 93 94 Ho 0.57732874954885 0.43750000000000 0.10900302675673 164.930 > 93 95 Ho 0.57732874954885 0.68750000000000 0.10900302675673 164.930 > 93 96 Ho 0.57732874954885 0.93750000000000 0.10900302675673 164.930 > 93 97 Ho 0.57440894653978 0.18750000000000 0.61053784432800 164.930 > 97 98 Ho 0.57440894653978 0.43750000000000 0.61053784432800 164.930 > 97 99 Ho 0.57440894653978 0.68750000000000 0.61053784432800 164.930 > 97 100 Ho 0.57440894653978 0.93750000000000 0.61053784432800 164.930 > 97 101 Ho 0.42559105346022 0.06250000000000 0.38946215567200 164.930 > 101 102 Ho 0.42559105346022 0.31250000000000 0.38946215567200 164.930 > 101 103 Ho 0.42559105346022 0.56250000000000 0.38946215567200 164.930 > 101 104 Ho 0.42559105346022 0.81250000000000 0.38946215567200 164.930 > 101 105 Ho 0.07440894653978 0.18750000000000 0.88946215567200 164.930 > 105 106 Ho 0.07440894653978 0.43750000000000 0.88946215567200 164.930 > 105 107 Ho 0.07440894653978 0.68750000000000 0.88946215567200 164.930 > 105 108 Ho 0.07440894653978 0.93750000000000 0.88946215567200 164.930 > 105 109 Ho 0.92559105346022 0.06250000000000 0.11053784432800 164.930 > 109 110 Ho 0.92559105346022 0.31250000000000 0.11053784432800 164.930 > 109 111 Ho 0.92559105346022 0.56250000000000 0.11053784432800 164.930 > 109 112 Ho 0.92559105346022 0.81250000000000 0.11053784432800 164.930 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3650451 0.0000000 0.0000000 0.0000000 4.5044324 0.0000000 0.0000000 0.0000000 4.3829921 -------------------------- Born effective charges -------------------------- 1 O -2.5028746 0.0000000 -0.1389411 0.0000000 -2.7717419 0.0000000 0.0352139 0.0000000 -2.5134770 2 O -2.5028746 0.0000000 -0.1389411 0.0000000 -2.7717419 0.0000000 0.0352139 0.0000000 -2.5134770 3 O -2.5028746 0.0000000 0.1389411 0.0000000 -2.7717419 0.0000000 -0.0352139 0.0000000 -2.5134770 4 O -2.5028746 0.0000000 0.1389411 0.0000000 -2.7717419 0.0000000 -0.0352139 0.0000000 -2.5134770 5 O -2.1692539 0.0000000 -0.2865206 0.0000000 -2.5270912 0.0000000 -0.4205713 0.0000000 -3.0143203 6 O -2.1692539 0.0000000 -0.2865206 0.0000000 -2.5270912 0.0000000 -0.4205713 0.0000000 -3.0143203 7 O -2.1692539 0.0000000 0.2865206 0.0000000 -2.5270912 0.0000000 0.4205713 0.0000000 -3.0143203 8 O -2.1692539 0.0000000 0.2865206 0.0000000 -2.5270912 0.0000000 0.4205713 0.0000000 -3.0143203 9 O -2.4190971 0.0000000 0.1000968 0.0000000 -2.7553626 0.0000000 0.1135964 0.0000000 -2.5535326 10 O -2.4190971 0.0000000 0.1000968 0.0000000 -2.7553626 0.0000000 0.1135964 0.0000000 -2.5535326 11 O -2.4190971 0.0000000 -0.1000968 0.0000000 -2.7553626 0.0000000 -0.1135964 0.0000000 -2.5535326 12 O -2.4190971 0.0000000 -0.1000968 0.0000000 -2.7553626 0.0000000 -0.1135964 0.0000000 -2.5535326 13 O -2.9462618 0.0000000 0.0892564 0.0000000 -2.7187271 0.0000000 0.0783642 0.0000000 -2.0898336 14 O -2.9462618 0.0000000 0.0892564 0.0000000 -2.7187271 0.0000000 0.0783642 0.0000000 -2.0898336 15 O -2.9462618 0.0000000 -0.0892564 0.0000000 -2.7187271 0.0000000 -0.0783642 0.0000000 -2.0898336 16 O -2.9462618 0.0000000 -0.0892564 0.0000000 -2.7187271 0.0000000 -0.0783642 0.0000000 -2.0898336 17 Ba 2.8934719 0.0000000 0.1041255 0.0000000 2.5288725 0.0000000 0.0854529 0.0000000 2.5880260 18 Ba 2.8934719 0.0000000 0.1041255 0.0000000 2.5288725 0.0000000 0.0854529 0.0000000 2.5880260 19 Ba 2.8934719 0.0000000 -0.1041255 0.0000000 2.5288725 0.0000000 -0.0854529 0.0000000 2.5880260 20 Ba 2.8934719 0.0000000 -0.1041255 0.0000000 2.5288725 0.0000000 -0.0854529 0.0000000 2.5880260 21 Ho 3.6044642 0.0000000 -0.2254904 0.0000000 4.1929620 0.0000000 -0.1527551 0.0000000 3.6008380 22 Ho 3.6044642 0.0000000 -0.2254904 0.0000000 4.1929620 0.0000000 -0.1527551 0.0000000 3.6008380 23 Ho 3.6044642 0.0000000 0.2254904 0.0000000 4.1929620 0.0000000 0.1527551 0.0000000 3.6008380 24 Ho 3.6044642 0.0000000 0.2254904 0.0000000 4.1929620 0.0000000 0.1527551 0.0000000 3.6008380 25 Ho 3.5395513 0.0000000 0.1494697 0.0000000 4.0510883 0.0000000 0.1487204 0.0000000 3.9822995 26 Ho 3.5395513 0.0000000 0.1494697 0.0000000 4.0510883 0.0000000 0.1487204 0.0000000 3.9822995 27 Ho 3.5395513 0.0000000 -0.1494697 0.0000000 4.0510883 0.0000000 -0.1487204 0.0000000 3.9822995 28 Ho 3.5395513 0.0000000 -0.1494697 0.0000000 4.0510883 0.0000000 -0.1487204 0.0000000 3.9822995 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) 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 ... [ 5 15 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: 0.55, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 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 1.536 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.984 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 7.007 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.023 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 8.823 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.571 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 9.770 ( 0.000 0.000 0.000) 0.000 9.907 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.335 ( 0.000 0.000 0.000) 0.000 10.574 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.316 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 0.000) 0.000 11.463 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.662 ( 0.000 0.000 0.000) 0.000 12.189 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.645 ( 0.000 0.000 0.000) 0.000 12.821 ( 0.000 0.000 0.000) 0.000 13.550 ( 0.000 0.000 0.000) 0.000 13.798 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.307 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 16.042 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 16.933 ( 0.000 0.000 0.000) 0.000 16.944 ( 0.000 0.000 0.000) 0.000 17.089 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 26.213 0.000 0.000) 26.213 0.523 ( 26.805 0.000 0.000) 26.805 0.918 ( 46.883 0.000 0.000) 46.883 1.558 ( 0.990 0.000 0.000) 0.990 1.838 ( -11.450 0.000 0.000) 11.450 1.958 ( -16.849 0.000 0.000) 16.849 1.981 ( -4.358 0.000 0.000) 4.358 2.096 ( 4.064 0.000 0.000) 4.064 2.105 ( 1.740 0.000 0.000) 1.740 2.213 ( -0.427 0.000 0.000) 0.427 2.241 ( 8.348 0.000 0.000) 8.348 2.244 ( 1.601 0.000 0.000) 1.601 2.351 ( 1.447 0.000 0.000) 1.447 2.371 ( 0.055 0.000 0.000) 0.055 2.515 ( 1.777 0.000 0.000) 1.777 2.607 ( -0.677 0.000 0.000) 0.677 2.784 ( 1.046 0.000 0.000) 1.046 2.806 ( 2.185 0.000 0.000) 2.185 2.815 ( -5.859 0.000 0.000) 5.859 2.974 ( -1.748 0.000 0.000) 1.748 2.996 ( 11.673 0.000 0.000) 11.673 3.104 ( 7.139 0.000 0.000) 7.139 3.379 ( -1.638 0.000 0.000) 1.638 3.424 ( -23.491 0.000 0.000) 23.491 3.733 ( 9.518 0.000 0.000) 9.518 3.975 ( 10.355 0.000 0.000) 10.355 4.128 ( -10.332 0.000 0.000) 10.332 4.273 ( -19.948 0.000 0.000) 19.948 4.788 ( -16.067 0.000 0.000) 16.067 4.842 ( -8.383 0.000 0.000) 8.383 4.956 ( 10.045 0.000 0.000) 10.045 5.035 ( 3.924 0.000 0.000) 3.924 5.248 ( 2.778 0.000 0.000) 2.778 5.282 ( -1.125 0.000 0.000) 1.125 5.632 ( 8.027 0.000 0.000) 8.027 5.635 ( 6.180 0.000 0.000) 6.180 6.305 ( -6.249 0.000 0.000) 6.249 6.623 ( 10.571 0.000 0.000) 10.571 6.684 ( -20.906 0.000 0.000) 20.906 7.342 ( -7.939 0.000 0.000) 7.939 7.573 ( 2.913 0.000 0.000) 2.913 7.633 ( 20.428 0.000 0.000) 20.428 7.877 ( 0.141 0.000 0.000) 0.141 7.920 ( -5.954 0.000 0.000) 5.954 8.029 ( 1.058 0.000 0.000) 1.058 8.235 ( 0.377 0.000 0.000) 0.377 8.430 ( -0.313 0.000 0.000) 0.313 8.459 ( -7.210 0.000 0.000) 7.210 8.819 ( 8.333 0.000 0.000) 8.333 8.891 ( 5.704 0.000 0.000) 5.704 9.469 ( 11.025 0.000 0.000) 11.025 9.560 ( -0.933 0.000 0.000) 0.933 9.665 ( -2.671 0.000 0.000) 2.671 9.707 ( -1.763 0.000 0.000) 1.763 9.815 ( 2.446 0.000 0.000) 2.446 9.872 ( -2.849 0.000 0.000) 2.849 10.297 ( 0.077 0.000 0.000) 0.077 10.328 ( -0.676 0.000 0.000) 0.676 10.655 ( 7.123 0.000 0.000) 7.123 10.878 ( 9.257 0.000 0.000) 9.257 11.068 ( -7.248 0.000 0.000) 7.248 11.288 ( -0.135 0.000 0.000) 0.135 11.307 ( -0.807 0.000 0.000) 0.807 11.420 ( 0.704 0.000 0.000) 0.704 11.457 ( -0.543 0.000 0.000) 0.543 11.462 ( 9.847 0.000 0.000) 9.847 11.624 ( 0.878 0.000 0.000) 0.878 11.661 ( -0.137 0.000 0.000) 0.137 11.848 ( -4.713 0.000 0.000) 4.713 12.052 ( -14.114 0.000 0.000) 14.114 12.629 ( -1.226 0.000 0.000) 1.226 12.763 ( -4.806 0.000 0.000) 4.806 13.512 ( 3.102 0.000 0.000) 3.102 13.758 ( -3.749 0.000 0.000) 3.749 14.160 ( 2.486 0.000 0.000) 2.486 14.296 ( -1.125 0.000 0.000) 1.125 15.790 ( -0.483 0.000 0.000) 0.483 15.916 ( -3.277 0.000 0.000) 3.277 16.074 ( 1.990 0.000 0.000) 1.990 16.075 ( 0.067 0.000 0.000) 0.067 16.888 ( 0.459 0.000 0.000) 0.459 16.913 ( -0.872 0.000 0.000) 0.872 16.971 ( 1.885 0.000 0.000) 1.885 17.095 ( 0.111 0.000 0.000) 0.111 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 23.457 0.000 0.000) 23.457 1.036 ( 25.993 0.000 0.000) 25.993 1.410 ( -17.257 0.000 0.000) 17.257 1.521 ( -22.529 0.000 0.000) 22.529 1.756 ( 3.968 0.000 0.000) 3.968 1.815 ( 41.348 0.000 0.000) 41.348 1.870 ( -6.473 0.000 0.000) 6.473 2.156 ( 3.264 0.000 0.000) 3.264 2.174 ( 2.448 0.000 0.000) 2.448 2.220 ( -3.017 0.000 0.000) 3.017 2.224 ( 1.526 0.000 0.000) 1.526 2.377 ( 0.996 0.000 0.000) 0.996 2.383 ( 0.439 0.000 0.000) 0.439 2.477 ( 12.541 0.000 0.000) 12.541 2.553 ( 1.958 0.000 0.000) 1.958 2.587 ( -1.389 0.000 0.000) 1.389 2.602 ( -28.493 0.000 0.000) 28.493 2.683 ( -8.957 0.000 0.000) 8.957 2.862 ( 3.378 0.000 0.000) 3.378 2.927 ( -3.066 0.000 0.000) 3.066 2.955 ( -5.224 0.000 0.000) 5.224 3.014 ( -6.031 0.000 0.000) 6.031 3.428 ( 18.370 0.000 0.000) 18.370 3.554 ( 15.928 0.000 0.000) 15.928 3.842 ( -19.912 0.000 0.000) 19.912 3.881 ( -14.947 0.000 0.000) 14.947 3.982 ( 12.694 0.000 0.000) 12.694 4.174 ( 4.368 0.000 0.000) 4.368 4.467 ( -9.974 0.000 0.000) 9.974 4.598 ( -13.809 0.000 0.000) 13.809 5.109 ( 4.284 0.000 0.000) 4.284 5.122 ( 2.490 0.000 0.000) 2.490 5.276 ( 0.376 0.000 0.000) 0.376 5.279 ( 0.605 0.000 0.000) 0.605 5.737 ( 3.435 0.000 0.000) 3.435 5.746 ( 2.873 0.000 0.000) 2.873 6.245 ( 1.037 0.000 0.000) 1.037 6.365 ( -11.463 0.000 0.000) 11.463 6.859 ( 13.485 0.000 0.000) 13.485 7.125 ( -13.234 0.000 0.000) 13.234 7.656 ( 5.608 0.000 0.000) 5.608 7.784 ( -7.316 0.000 0.000) 7.316 7.881 ( 3.079 0.000 0.000) 3.079 7.884 ( 0.651 0.000 0.000) 0.651 8.144 ( 11.924 0.000 0.000) 11.924 8.263 ( 2.601 0.000 0.000) 2.601 8.338 ( -5.091 0.000 0.000) 5.091 8.355 ( -7.849 0.000 0.000) 7.849 8.955 ( 4.920 0.000 0.000) 4.920 8.982 ( 2.339 0.000 0.000) 2.339 9.553 ( 0.815 0.000 0.000) 0.815 9.600 ( -3.547 0.000 0.000) 3.547 9.662 ( 5.501 0.000 0.000) 5.501 9.693 ( -0.052 0.000 0.000) 0.052 9.840 ( 0.464 0.000 0.000) 0.464 9.850 ( 0.793 0.000 0.000) 0.793 10.301 ( 0.409 0.000 0.000) 0.409 10.313 ( -0.762 0.000 0.000) 0.762 10.796 ( 6.410 0.000 0.000) 6.410 10.900 ( -4.934 0.000 0.000) 4.934 11.215 ( 20.005 0.000 0.000) 20.005 11.287 ( 0.046 0.000 0.000) 0.046 11.292 ( -0.566 0.000 0.000) 0.566 11.433 ( 0.671 0.000 0.000) 0.671 11.445 ( -0.590 0.000 0.000) 0.590 11.625 ( 6.976 0.000 0.000) 6.976 11.642 ( 0.881 0.000 0.000) 0.881 11.656 ( -0.468 0.000 0.000) 0.468 11.657 ( -22.536 0.000 0.000) 22.536 11.750 ( -7.127 0.000 0.000) 7.127 12.623 ( 1.104 0.000 0.000) 1.104 12.674 ( -3.923 0.000 0.000) 3.923 13.583 ( 4.185 0.000 0.000) 4.185 13.671 ( -4.764 0.000 0.000) 4.764 14.215 ( 2.865 0.000 0.000) 2.865 14.264 ( -2.156 0.000 0.000) 2.156 15.797 ( 1.544 0.000 0.000) 1.544 15.848 ( -3.422 0.000 0.000) 3.422 16.083 ( 0.693 0.000 0.000) 0.693 16.094 ( -0.041 0.000 0.000) 0.041 16.899 ( 0.521 0.000 0.000) 0.521 16.905 ( -0.138 0.000 0.000) 0.138 17.019 ( 3.031 0.000 0.000) 3.031 17.075 ( -2.285 0.000 0.000) 2.285 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 26.614 0.000) 26.614 0.544 ( 0.000 27.636 0.000) 27.636 1.117 ( 0.000 56.126 0.000) 56.126 1.799 ( 0.000 23.914 0.000) 23.914 2.076 ( 0.000 2.350 0.000) 2.350 2.080 ( 0.000 2.683 0.000) 2.683 2.121 ( 0.000 3.773 0.000) 3.773 2.165 ( 0.000 8.007 0.000) 8.007 2.200 ( 0.000 18.885 0.000) 18.885 2.280 ( 0.000 17.892 0.000) 17.892 2.325 ( 0.000 12.380 0.000) 12.380 2.363 ( 0.000 5.910 0.000) 5.910 2.523 ( 0.000 13.805 0.000) 13.805 2.530 ( 0.000 15.869 0.000) 15.869 2.668 ( 0.000 15.824 0.000) 15.824 2.748 ( 0.000 -0.412 0.000) 0.412 2.763 ( 0.000 13.930 0.000) 13.930 2.784 ( 0.000 3.599 0.000) 3.599 2.786 ( 0.000 0.416 0.000) 0.416 3.043 ( 0.000 1.832 0.000) 1.832 3.084 ( 0.000 16.853 0.000) 16.853 3.167 ( 0.000 17.222 0.000) 17.222 3.436 ( 0.000 -1.012 0.000) 1.012 3.679 ( 0.000 7.550 0.000) 7.550 3.734 ( 0.000 3.230 0.000) 3.230 3.884 ( 0.000 3.709 0.000) 3.709 4.226 ( 0.000 -2.304 0.000) 2.304 4.525 ( 0.000 -0.708 0.000) 0.708 4.565 ( 0.000 -2.187 0.000) 2.187 4.787 ( 0.000 -1.139 0.000) 1.139 4.960 ( 0.000 -2.427 0.000) 2.427 5.079 ( 0.000 -1.920 0.000) 1.920 5.152 ( 0.000 -2.433 0.000) 2.433 5.293 ( 0.000 -1.687 0.000) 1.687 5.475 ( 0.000 -3.861 0.000) 3.861 5.558 ( 0.000 -0.146 0.000) 0.146 6.427 ( 0.000 -0.962 0.000) 0.962 6.440 ( 0.000 -1.452 0.000) 1.452 6.980 ( 0.000 -2.168 0.000) 2.168 7.071 ( 0.000 -4.248 0.000) 4.248 7.327 ( 0.000 2.092 0.000) 2.092 7.897 ( 0.000 2.274 0.000) 2.274 7.997 ( 0.000 -2.596 0.000) 2.596 8.196 ( 0.000 -1.565 0.000) 1.565 8.222 ( 0.000 18.868 0.000) 18.868 8.408 ( 0.000 -0.408 0.000) 0.408 8.436 ( 0.000 -2.186 0.000) 2.186 8.781 ( 0.000 8.857 0.000) 8.857 8.804 ( 0.000 18.628 0.000) 18.628 8.990 ( 0.000 15.280 0.000) 15.280 9.348 ( 0.000 -0.509 0.000) 0.509 9.644 ( 0.000 6.019 0.000) 6.019 9.765 ( 0.000 0.291 0.000) 0.291 9.775 ( 0.000 0.427 0.000) 0.427 9.884 ( 0.000 18.163 0.000) 18.163 9.952 ( 0.000 1.616 0.000) 1.616 10.232 ( 0.000 -0.254 0.000) 0.254 10.269 ( 0.000 -5.889 0.000) 5.889 10.595 ( 0.000 3.064 0.000) 3.064 10.650 ( 0.000 -11.433 0.000) 11.433 11.171 ( 0.000 -14.123 0.000) 14.123 11.239 ( 0.000 -1.889 0.000) 1.889 11.264 ( 0.000 -2.394 0.000) 2.394 11.365 ( 0.000 2.598 0.000) 2.598 11.408 ( 0.000 9.825 0.000) 9.825 11.464 ( 0.000 1.601 0.000) 1.601 11.618 ( 0.000 2.913 0.000) 2.913 11.625 ( 0.000 -2.754 0.000) 2.754 12.177 ( 0.000 -1.159 0.000) 1.159 12.479 ( 0.000 1.488 0.000) 1.488 12.649 ( 0.000 0.276 0.000) 0.276 12.814 ( 0.000 -0.817 0.000) 0.817 13.480 ( 0.000 -7.134 0.000) 7.134 13.787 ( 0.000 -1.845 0.000) 1.845 14.048 ( 0.000 -8.538 0.000) 8.538 14.198 ( 0.000 -10.795 0.000) 10.795 15.854 ( 0.000 1.256 0.000) 1.256 15.857 ( 0.000 -4.817 0.000) 4.817 15.918 ( 0.000 -3.754 0.000) 3.754 15.988 ( 0.000 -5.366 0.000) 5.366 16.816 ( 0.000 -6.241 0.000) 6.241 16.855 ( 0.000 -7.721 0.000) 7.721 16.865 ( 0.000 -7.865 0.000) 7.865 17.012 ( 0.000 -7.728 0.000) 7.728 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 17.852 19.300 0.000) 26.290 0.806 ( 22.215 18.062 0.000) 28.631 1.392 ( 25.876 42.771 0.000) 49.989 1.809 ( -0.400 22.551 0.000) 22.554 1.989 ( -15.234 4.097 0.000) 15.776 2.023 ( -10.622 16.194 0.000) 19.367 2.132 ( 4.431 4.024 0.000) 5.986 2.138 ( -2.603 12.827 0.000) 13.088 2.196 ( 2.859 2.553 0.000) 3.833 2.234 ( 6.249 6.381 0.000) 8.932 2.318 ( 0.356 13.111 0.000) 13.116 2.408 ( 2.239 15.710 0.000) 15.869 2.506 ( -0.385 12.600 0.000) 12.606 2.533 ( 0.251 15.383 0.000) 15.385 2.657 ( -1.213 11.269 0.000) 11.334 2.758 ( -0.646 14.697 0.000) 14.712 2.777 ( 2.601 2.971 0.000) 3.949 2.793 ( -0.707 3.516 0.000) 3.586 2.998 ( 12.472 0.466 0.000) 12.480 3.035 ( -1.533 13.686 0.000) 13.772 3.139 ( 7.552 5.695 0.000) 9.458 3.151 ( -1.617 17.108 0.000) 17.185 3.375 ( -1.894 -0.125 0.000) 1.898 3.469 ( -22.615 5.505 0.000) 23.275 3.783 ( 9.021 5.836 0.000) 10.745 4.001 ( 9.808 3.023 0.000) 10.263 4.109 ( -10.078 -1.816 0.000) 10.241 4.238 ( -18.678 -2.354 0.000) 18.826 4.753 ( 1.222 -4.043 0.000) 4.224 4.780 ( -15.420 -0.746 0.000) 15.438 4.923 ( 9.247 -2.988 0.000) 9.717 4.978 ( -1.099 -3.577 0.000) 3.742 5.225 ( 2.824 -2.307 0.000) 3.646 5.257 ( -1.342 -2.543 0.000) 2.876 5.597 ( 8.134 -3.470 0.000) 8.844 5.624 ( 5.455 -1.082 0.000) 5.562 6.302 ( -5.555 -0.069 0.000) 5.555 6.596 ( 9.653 -2.198 0.000) 9.900 6.661 ( -18.314 -0.715 0.000) 18.328 7.134 ( -1.529 -4.313 0.000) 4.576 7.593 ( 18.882 -3.415 0.000) 19.189 7.892 ( -0.540 2.129 0.000) 2.196 7.967 ( -2.732 -0.770 0.000) 2.838 8.167 ( -4.465 14.529 0.000) 15.199 8.200 ( 0.398 2.467 0.000) 2.499 8.268 ( -9.886 19.562 0.000) 21.918 8.472 ( 3.341 3.690 0.000) 4.978 8.615 ( -9.061 15.318 0.000) 17.798 8.943 ( 8.575 12.027 0.000) 14.771 9.011 ( 3.160 12.002 0.000) 12.411 9.480 ( 11.667 0.935 0.000) 11.704 9.633 ( -0.911 5.893 0.000) 5.962 9.706 ( -1.380 0.058 0.000) 1.381 9.815 ( -4.852 13.833 0.000) 14.659 9.831 ( 1.532 3.506 0.000) 3.826 9.899 ( -4.162 1.335 0.000) 4.371 10.241 ( 1.192 -1.797 0.000) 2.156 10.306 ( 2.011 -3.010 0.000) 3.620 10.656 ( 5.243 0.492 0.000) 5.266 10.777 ( 10.084 -8.912 0.000) 13.457 11.133 ( -5.391 5.858 0.000) 7.961 11.167 ( -0.234 -13.085 0.000) 13.087 11.237 ( -1.503 -6.133 0.000) 6.315 11.409 ( 3.585 -0.693 0.000) 3.651 11.446 ( 1.092 -0.319 0.000) 1.137 11.528 ( 3.900 4.432 0.000) 5.903 11.580 ( -3.217 -2.331 0.000) 3.973 11.621 ( 1.005 2.710 0.000) 2.891 12.046 ( -14.650 1.600 0.000) 14.737 12.105 ( -19.962 10.623 0.000) 22.613 12.647 ( 0.146 1.680 0.000) 1.686 12.785 ( -3.464 1.241 0.000) 3.680 13.473 ( 1.507 -5.276 0.000) 5.487 13.727 ( -5.131 -3.810 0.000) 6.391 14.087 ( 3.205 -7.282 0.000) 7.956 14.196 ( -0.265 -10.008 0.000) 10.012 15.777 ( -1.459 -1.545 0.000) 2.125 15.883 ( -2.796 -3.153 0.000) 4.214 15.995 ( 4.144 -5.557 0.000) 6.932 16.018 ( 1.992 -5.523 0.000) 5.871 16.818 ( 0.260 -6.766 0.000) 6.771 16.835 ( -0.822 -7.758 0.000) 7.801 16.895 ( 2.105 -7.519 0.000) 7.808 17.020 ( 0.266 -7.524 0.000) 7.529 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 22.314 10.979 0.000) 24.869 1.241 ( 21.590 17.575 0.000) 27.839 1.582 ( -21.491 6.422 0.000) 22.430 1.625 ( -17.233 17.994 0.000) 24.915 1.970 ( 3.944 19.574 0.000) 19.967 2.023 ( 32.686 22.074 0.000) 39.442 2.066 ( -4.589 17.656 0.000) 18.243 2.224 ( 3.450 4.830 0.000) 5.936 2.243 ( 1.410 3.339 0.000) 3.624 2.316 ( 4.828 14.340 0.000) 15.131 2.369 ( -4.745 13.812 0.000) 14.605 2.496 ( 12.085 2.774 0.000) 12.400 2.512 ( -0.428 12.313 0.000) 12.320 2.532 ( 0.537 13.934 0.000) 13.944 2.630 ( -9.023 4.848 0.000) 10.243 2.702 ( -5.528 9.592 0.000) 11.071 2.733 ( -2.155 13.796 0.000) 13.964 2.744 ( -11.247 10.187 0.000) 15.175 2.984 ( -4.311 5.144 0.000) 6.711 3.038 ( -5.129 3.198 0.000) 6.044 3.066 ( -1.843 18.182 0.000) 18.276 3.103 ( -2.967 17.028 0.000) 17.285 3.433 ( 17.737 0.767 0.000) 17.753 3.542 ( 15.809 -1.162 0.000) 15.852 3.836 ( -20.774 -0.639 0.000) 20.784 3.865 ( -14.839 -1.504 0.000) 14.915 4.012 ( 13.451 3.784 0.000) 13.973 4.190 ( 4.399 2.065 0.000) 4.859 4.474 ( -9.796 0.882 0.000) 9.835 4.586 ( -12.370 -0.539 0.000) 12.382 5.051 ( 3.524 -5.838 0.000) 6.819 5.057 ( 3.375 -4.695 0.000) 5.782 5.250 ( 0.368 -2.583 0.000) 2.609 5.254 ( 0.424 -2.462 0.000) 2.498 5.714 ( 2.878 -2.392 0.000) 3.742 5.714 ( 3.154 -3.261 0.000) 4.537 6.254 ( 1.449 1.228 0.000) 1.900 6.372 ( -10.784 1.222 0.000) 10.853 6.807 ( 11.663 -3.742 0.000) 12.249 7.020 ( -9.446 -5.184 0.000) 10.775 7.861 ( 4.258 -0.418 0.000) 4.279 7.881 ( -0.434 2.296 0.000) 2.337 7.965 ( 5.974 4.669 0.000) 7.582 8.075 ( -4.651 15.317 0.000) 16.008 8.176 ( 0.046 15.336 0.000) 15.336 8.206 ( -0.609 0.594 0.000) 0.850 8.472 ( -1.982 10.576 0.000) 10.760 8.484 ( -4.085 13.844 0.000) 14.434 9.084 ( 4.884 11.374 0.000) 12.379 9.097 ( 3.530 10.920 0.000) 11.477 9.628 ( 1.318 6.353 0.000) 6.489 9.684 ( 5.741 2.253 0.000) 6.167 9.701 ( -5.295 9.021 0.000) 10.460 9.706 ( 0.296 2.240 0.000) 2.260 9.846 ( 0.047 0.909 0.000) 0.910 9.861 ( 0.544 1.687 0.000) 1.772 10.281 ( 2.666 -1.583 0.000) 3.101 10.319 ( -0.721 -0.044 0.000) 0.723 10.757 ( 4.448 -2.961 0.000) 5.343 10.834 ( -3.559 -4.812 0.000) 5.986 11.169 ( 0.660 -10.768 0.000) 10.788 11.191 ( -0.598 -7.212 0.000) 7.237 11.284 ( 17.781 3.676 0.000) 18.157 11.468 ( 1.615 -0.840 0.000) 1.820 11.468 ( 1.176 -0.194 0.000) 1.192 11.540 ( -0.754 -4.331 0.000) 4.396 11.548 ( -0.465 -2.169 0.000) 2.219 11.666 ( 3.019 1.775 0.000) 3.502 11.714 ( -22.368 4.927 0.000) 22.904 11.777 ( -9.899 1.812 0.000) 10.064 12.668 ( 2.082 3.932 0.000) 4.449 12.720 ( -3.058 3.608 0.000) 4.730 13.529 ( 3.880 -6.017 0.000) 7.159 13.620 ( -5.417 -5.723 0.000) 7.880 14.147 ( 2.596 -7.009 0.000) 7.474 14.183 ( -1.196 -8.296 0.000) 8.382 15.777 ( 1.398 -2.011 0.000) 2.450 15.824 ( -3.090 -2.336 0.000) 3.874 16.036 ( 0.901 -4.601 0.000) 4.688 16.042 ( 0.347 -5.164 0.000) 5.176 16.825 ( 0.324 -7.367 0.000) 7.375 16.828 ( -0.070 -7.686 0.000) 7.686 16.947 ( 3.134 -7.115 0.000) 7.774 17.003 ( -2.145 -7.185 0.000) 7.498 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 25.148 0.000) 25.148 1.066 ( 0.000 25.605 0.000) 25.605 2.060 ( 0.000 20.854 0.000) 20.854 2.139 ( 0.000 3.866 0.000) 3.866 2.180 ( 0.000 4.272 0.000) 4.272 2.264 ( 0.000 34.930 0.000) 34.930 2.316 ( 0.000 25.041 0.000) 25.041 2.377 ( 0.000 9.680 0.000) 9.680 2.572 ( 0.000 14.927 0.000) 14.927 2.575 ( 0.000 10.970 0.000) 10.970 2.602 ( 0.000 15.943 0.000) 15.943 2.708 ( 0.000 20.554 0.000) 20.554 2.751 ( 0.000 6.135 0.000) 6.135 2.791 ( 0.000 5.215 0.000) 5.215 2.874 ( 0.000 18.390 0.000) 18.390 2.877 ( 0.000 19.912 0.000) 19.912 2.893 ( 0.000 11.069 0.000) 11.069 3.104 ( 0.000 23.160 0.000) 23.160 3.118 ( 0.000 6.539 0.000) 6.539 3.134 ( 0.000 21.235 0.000) 21.235 3.413 ( 0.000 -0.809 0.000) 0.809 3.465 ( 0.000 20.425 0.000) 20.425 3.618 ( 0.000 27.754 0.000) 27.754 3.874 ( 0.000 12.120 0.000) 12.120 3.921 ( 0.000 17.483 0.000) 17.483 4.014 ( 0.000 10.253 0.000) 10.253 4.179 ( 0.000 -1.356 0.000) 1.356 4.503 ( 0.000 -4.044 0.000) 4.044 4.507 ( 0.000 -1.163 0.000) 1.163 4.778 ( 0.000 0.581 0.000) 0.581 4.897 ( 0.000 -3.526 0.000) 3.526 5.023 ( 0.000 -3.747 0.000) 3.747 5.088 ( 0.000 -3.863 0.000) 3.863 5.247 ( 0.000 -2.844 0.000) 2.844 5.374 ( 0.000 -6.408 0.000) 6.408 5.547 ( 0.000 -1.229 0.000) 1.229 6.412 ( 0.000 -0.261 0.000) 0.261 6.420 ( 0.000 -0.119 0.000) 0.119 6.950 ( 0.000 -0.514 0.000) 0.514 6.976 ( 0.000 -4.939 0.000) 4.939 7.384 ( 0.000 3.517 0.000) 3.517 7.924 ( 0.000 -4.836 0.000) 4.836 7.955 ( 0.000 3.073 0.000) 3.073 8.041 ( 0.000 -12.058 0.000) 12.058 8.421 ( 0.000 1.981 0.000) 1.981 8.421 ( 0.000 0.748 0.000) 0.748 8.682 ( 0.000 22.093 0.000) 22.093 8.961 ( 0.000 7.951 0.000) 7.951 9.203 ( 0.000 19.496 0.000) 19.496 9.305 ( 0.000 12.704 0.000) 12.704 9.314 ( 0.000 -2.635 0.000) 2.635 9.747 ( 0.000 4.792 0.000) 4.792 9.778 ( 0.000 -0.442 0.000) 0.442 9.783 ( 0.000 1.597 0.000) 1.597 9.942 ( 0.000 0.704 0.000) 0.704 10.120 ( 0.000 -8.210 0.000) 8.210 10.275 ( 0.000 15.031 0.000) 15.031 10.378 ( 0.000 -15.463 0.000) 15.463 10.424 ( 0.000 17.066 0.000) 17.066 10.708 ( 0.000 8.018 0.000) 8.018 10.889 ( 0.000 -7.033 0.000) 7.033 11.161 ( 0.000 0.512 0.000) 0.512 11.314 ( 0.000 5.093 0.000) 5.093 11.406 ( 0.000 1.084 0.000) 1.084 11.448 ( 0.000 0.541 0.000) 0.541 11.590 ( 0.000 -0.227 0.000) 0.227 11.658 ( 0.000 11.173 0.000) 11.173 11.716 ( 0.000 5.655 0.000) 5.655 12.146 ( 0.000 -1.921 0.000) 1.921 12.501 ( 0.000 0.496 0.000) 0.496 12.641 ( 0.000 -1.848 0.000) 1.848 12.786 ( 0.000 -2.109 0.000) 2.109 13.282 ( 0.000 -12.792 0.000) 12.792 13.697 ( 0.000 -7.808 0.000) 7.808 13.818 ( 0.000 -14.230 0.000) 14.230 13.916 ( 0.000 -17.145 0.000) 17.145 15.723 ( 0.000 -8.650 0.000) 8.650 15.825 ( 0.000 -5.333 0.000) 5.333 15.849 ( 0.000 -8.320 0.000) 8.320 15.873 ( 0.000 0.310 0.000) 0.310 16.645 ( 0.000 -10.922 0.000) 10.922 16.650 ( 0.000 -13.754 0.000) 13.754 16.653 ( 0.000 -12.393 0.000) 12.393 16.804 ( 0.000 -13.052 0.000) 13.052 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 9.966 22.488 0.000) 24.598 1.179 ( 14.652 20.042 0.000) 24.827 2.075 ( -9.654 9.333 0.000) 13.427 2.169 ( 1.708 7.080 0.000) 7.283 2.190 ( 3.755 7.878 0.000) 8.727 2.325 ( -9.514 15.237 0.000) 17.964 2.334 ( 4.628 6.303 0.000) 7.820 2.359 ( 9.600 38.622 0.000) 39.798 2.368 ( -0.287 19.699 0.000) 19.702 2.498 ( 0.005 18.736 0.000) 18.736 2.716 ( -1.760 24.382 0.000) 24.445 2.763 ( 5.581 9.652 0.000) 11.150 2.793 ( 0.394 6.481 0.000) 6.493 2.811 ( -3.702 21.351 0.000) 21.669 2.855 ( -1.730 11.745 0.000) 11.871 2.869 ( -0.822 17.413 0.000) 17.433 3.018 ( 14.527 2.885 0.000) 14.811 3.067 ( 0.633 14.528 0.000) 14.542 3.127 ( -0.406 21.148 0.000) 21.152 3.240 ( 7.197 14.852 0.000) 16.504 3.375 ( -1.598 0.221 0.000) 1.613 3.424 ( -3.614 18.177 0.000) 18.532 3.597 ( -2.166 27.310 0.000) 27.396 3.707 ( -13.903 19.659 0.000) 24.078 3.989 ( 6.624 15.836 0.000) 17.166 4.072 ( -9.556 -1.149 0.000) 9.624 4.112 ( 8.288 8.860 0.000) 12.133 4.193 ( -17.981 -2.290 0.000) 18.126 4.712 ( 5.010 -0.729 0.000) 5.062 4.759 ( -11.938 -1.552 0.000) 12.038 4.872 ( 6.154 -0.949 0.000) 6.227 4.896 ( -5.769 -4.634 0.000) 7.399 5.159 ( 2.811 -4.342 0.000) 5.173 5.188 ( -1.924 -4.281 0.000) 4.693 5.502 ( 8.021 -6.245 0.000) 10.166 5.589 ( 3.526 -2.607 0.000) 4.385 6.317 ( -3.512 1.965 0.000) 4.025 6.557 ( 8.543 -1.421 0.000) 8.660 6.668 ( -15.037 1.358 0.000) 15.098 7.077 ( -1.931 -2.485 0.000) 3.147 7.530 ( 13.003 -2.605 0.000) 13.261 7.913 ( -0.256 -3.924 0.000) 3.932 7.941 ( -1.365 1.740 0.000) 2.211 8.031 ( -0.957 -10.813 0.000) 10.855 8.460 ( 2.524 5.172 0.000) 5.755 8.485 ( 3.270 3.923 0.000) 5.107 8.673 ( 0.752 18.985 0.000) 19.000 8.889 ( -5.735 9.948 0.000) 11.483 9.235 ( 2.937 15.147 0.000) 15.430 9.285 ( 2.851 12.156 0.000) 12.486 9.496 ( 12.860 0.961 0.000) 12.896 9.719 ( 0.255 1.564 0.000) 1.585 9.721 ( -2.150 2.897 0.000) 3.608 9.885 ( 3.567 4.789 0.000) 5.971 9.914 ( -2.265 1.981 0.000) 3.009 10.126 ( -3.930 1.042 0.000) 4.066 10.221 ( -0.945 3.441 0.000) 3.569 10.274 ( -2.799 -0.342 0.000) 2.820 10.652 ( 13.554 1.814 0.000) 13.675 10.739 ( 2.687 8.245 0.000) 8.672 10.902 ( 1.392 -8.431 0.000) 8.545 11.133 ( -3.509 -1.214 0.000) 3.713 11.231 ( -4.262 3.997 0.000) 5.843 11.379 ( -2.303 -1.766 0.000) 2.902 11.480 ( 1.931 4.071 0.000) 4.506 11.589 ( 0.387 2.339 0.000) 2.370 11.653 ( -1.163 8.604 0.000) 8.682 11.696 ( -1.301 3.362 0.000) 3.605 12.046 ( -11.041 -0.471 0.000) 11.051 12.262 ( -19.241 5.702 0.000) 20.068 12.676 ( 3.244 0.449 0.000) 3.275 12.786 ( -0.630 -1.503 0.000) 1.630 13.296 ( 1.535 -12.273 0.000) 12.369 13.584 ( -8.065 -11.030 0.000) 13.664 13.891 ( 4.180 -12.362 0.000) 13.050 13.930 ( 1.199 -16.490 0.000) 16.534 15.708 ( -0.605 -6.004 0.000) 6.035 15.806 ( -1.551 -4.353 0.000) 4.621 15.873 ( 1.728 -8.864 0.000) 9.031 15.903 ( 1.859 -3.666 0.000) 4.111 16.625 ( -0.848 -13.315 0.000) 13.342 16.636 ( -0.675 -11.659 0.000) 11.679 16.696 ( 2.830 -12.344 0.000) 12.664 16.819 ( 0.854 -12.475 0.000) 12.504 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 15.818 16.316 0.000) 22.725 1.543 ( 20.826 13.569 0.000) 24.857 1.764 ( -17.451 11.640 0.000) 20.977 1.954 ( -19.345 13.972 0.000) 23.863 2.288 ( 4.182 4.386 0.000) 6.060 2.296 ( 3.493 5.753 0.000) 6.730 2.426 ( 2.587 18.909 0.000) 19.085 2.455 ( 0.849 12.759 0.000) 12.788 2.549 ( 9.909 13.916 0.000) 17.083 2.586 ( 5.776 25.181 0.000) 25.835 2.676 ( -6.013 12.954 0.000) 14.282 2.732 ( -6.306 13.362 0.000) 14.775 2.778 ( 12.032 27.136 0.000) 29.684 2.802 ( -1.100 7.365 0.000) 7.447 2.834 ( -1.693 17.608 0.000) 17.689 2.920 ( 4.766 19.143 0.000) 19.727 3.046 ( -4.826 16.559 0.000) 17.248 3.085 ( -4.894 21.037 0.000) 21.599 3.190 ( 1.358 13.688 0.000) 13.755 3.234 ( -7.815 19.625 0.000) 21.124 3.440 ( 7.029 8.795 0.000) 11.259 3.515 ( 14.741 0.138 0.000) 14.741 3.536 ( -3.550 23.909 0.000) 24.171 3.553 ( 3.907 22.671 0.000) 23.005 3.830 ( -18.307 1.193 0.000) 18.346 3.832 ( -14.610 -1.251 0.000) 14.664 4.162 ( 10.610 12.311 0.000) 16.252 4.280 ( 5.357 7.944 0.000) 9.581 4.514 ( -8.598 3.657 0.000) 9.344 4.602 ( -10.579 2.713 0.000) 10.922 4.928 ( 3.854 -6.515 0.000) 7.569 4.955 ( 1.451 -4.937 0.000) 5.146 5.181 ( 0.524 -4.376 0.000) 4.407 5.187 ( 0.301 -4.326 0.000) 4.336 5.621 ( 3.773 -6.250 0.000) 7.301 5.643 ( 1.281 -4.870 0.000) 5.036 6.304 ( 2.602 4.047 0.000) 4.811 6.423 ( -9.643 4.009 0.000) 10.443 6.746 ( 10.679 -2.314 0.000) 10.927 6.950 ( -9.597 -2.514 0.000) 9.921 7.779 ( 10.784 -7.437 0.000) 13.100 7.904 ( -2.829 -2.258 0.000) 3.619 7.930 ( 1.924 -2.242 0.000) 2.954 7.991 ( -3.488 -7.576 0.000) 8.340 8.482 ( -0.037 10.582 0.000) 10.582 8.488 ( -1.052 10.639 0.000) 10.690 8.724 ( 2.942 13.565 0.000) 13.880 8.787 ( -4.212 12.772 0.000) 13.448 9.318 ( 5.014 10.980 0.000) 12.071 9.364 ( 2.083 14.691 0.000) 14.838 9.710 ( 5.123 2.375 0.000) 5.646 9.737 ( 6.074 0.749 0.000) 6.120 9.746 ( 1.284 2.780 0.000) 3.062 9.885 ( -7.385 7.457 0.000) 10.496 9.902 ( 3.124 4.879 0.000) 5.794 9.979 ( -4.206 9.162 0.000) 10.081 10.251 ( 0.764 -7.357 0.000) 7.396 10.253 ( -0.174 -1.553 0.000) 1.562 10.789 ( 2.193 9.017 0.000) 9.280 10.814 ( 1.344 5.255 0.000) 5.424 10.949 ( 3.502 -10.260 0.000) 10.841 11.033 ( -5.104 -6.577 0.000) 8.325 11.273 ( 6.848 -3.079 0.000) 7.508 11.344 ( -1.299 -5.101 0.000) 5.264 11.537 ( 5.608 7.872 0.000) 9.665 11.605 ( 0.536 4.696 0.000) 4.726 11.636 ( 1.752 8.327 0.000) 8.509 11.684 ( 0.362 0.506 0.000) 0.622 11.785 ( -12.111 1.825 0.000) 12.248 11.870 ( -19.716 8.402 0.000) 21.432 12.744 ( 3.067 3.080 0.000) 4.347 12.778 ( -0.548 1.791 0.000) 1.873 13.341 ( 3.292 -13.067 0.000) 13.476 13.436 ( -6.579 -13.044 0.000) 14.610 13.946 ( 1.437 -13.221 0.000) 13.298 13.951 ( 0.703 -14.953 0.000) 14.970 15.719 ( 1.762 -4.077 0.000) 4.442 15.765 ( -2.590 -3.509 0.000) 4.361 15.904 ( 1.312 -8.497 0.000) 8.597 15.920 ( -0.143 -6.729 0.000) 6.731 16.619 ( 0.127 -13.318 0.000) 13.319 16.625 ( -0.429 -12.755 0.000) 12.762 16.759 ( 3.447 -11.574 0.000) 12.076 16.813 ( -1.709 -11.701 0.000) 11.825 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 21.913 0.000) 21.913 1.530 ( 0.000 21.701 0.000) 21.701 2.213 ( 0.000 5.507 0.000) 5.507 2.216 ( 0.000 3.789 0.000) 3.789 2.283 ( 0.000 5.992 0.000) 5.992 2.541 ( 0.000 7.444 0.000) 7.444 2.633 ( 0.000 5.499 0.000) 5.499 2.665 ( 0.000 0.779 0.000) 0.779 2.731 ( 0.000 0.510 0.000) 0.510 2.745 ( 0.000 7.490 0.000) 7.490 2.862 ( 0.000 13.665 0.000) 13.665 3.073 ( 0.000 16.868 0.000) 16.868 3.110 ( 0.000 9.018 0.000) 9.018 3.133 ( 0.000 29.962 0.000) 29.962 3.238 ( 0.000 18.809 0.000) 18.809 3.272 ( 0.000 33.810 0.000) 33.810 3.291 ( 0.000 20.976 0.000) 20.976 3.303 ( 0.000 12.208 0.000) 12.208 3.369 ( 0.000 5.292 0.000) 5.292 3.521 ( 0.000 18.457 0.000) 18.457 3.580 ( 0.000 17.765 0.000) 17.765 3.844 ( 0.000 16.565 0.000) 16.565 4.078 ( 0.000 6.953 0.000) 6.953 4.195 ( 0.000 29.720 0.000) 29.720 4.290 ( 0.000 17.474 0.000) 17.474 4.330 ( 0.000 22.210 0.000) 22.210 4.348 ( 0.000 21.255 0.000) 21.255 4.415 ( 0.000 -3.799 0.000) 3.799 4.480 ( 0.000 -1.836 0.000) 1.836 4.756 ( 0.000 -4.454 0.000) 4.454 4.919 ( 0.000 8.348 0.000) 8.348 4.947 ( 0.000 -3.087 0.000) 3.087 5.019 ( 0.000 -2.598 0.000) 2.598 5.202 ( 0.000 -0.773 0.000) 0.773 5.233 ( 0.000 -7.757 0.000) 7.757 5.509 ( 0.000 -2.238 0.000) 2.238 6.430 ( 0.000 2.483 0.000) 2.483 6.447 ( 0.000 2.968 0.000) 2.968 6.897 ( 0.000 -2.837 0.000) 2.837 6.960 ( 0.000 1.329 0.000) 1.329 7.451 ( 0.000 2.905 0.000) 2.905 7.748 ( 0.000 -17.010 0.000) 17.010 7.811 ( 0.000 -6.737 0.000) 6.737 7.982 ( 0.000 -1.344 0.000) 1.344 8.468 ( 0.000 4.079 0.000) 4.079 8.487 ( 0.000 4.500 0.000) 4.500 9.006 ( 0.000 11.313 0.000) 11.313 9.057 ( 0.000 1.870 0.000) 1.870 9.293 ( 0.000 1.391 0.000) 1.391 9.353 ( 0.000 -5.154 0.000) 5.154 9.432 ( 0.000 0.477 0.000) 0.477 9.742 ( 0.000 -3.097 0.000) 3.097 9.789 ( 0.000 -3.087 0.000) 3.087 9.845 ( 0.000 0.098 0.000) 0.098 9.979 ( 0.000 1.352 0.000) 1.352 10.030 ( 0.000 1.921 0.000) 1.921 10.180 ( 0.000 0.936 0.000) 0.936 10.299 ( 0.000 -1.389 0.000) 1.389 10.816 ( 0.000 21.707 0.000) 21.707 10.865 ( 0.000 6.537 0.000) 6.537 11.139 ( 0.000 23.321 0.000) 23.321 11.271 ( 0.000 8.323 0.000) 8.323 11.393 ( 0.000 -2.594 0.000) 2.594 11.461 ( 0.000 10.019 0.000) 10.019 11.481 ( 0.000 2.983 0.000) 2.983 11.634 ( 0.000 5.115 0.000) 5.115 11.815 ( 0.000 4.473 0.000) 4.473 11.837 ( 0.000 6.903 0.000) 6.903 12.107 ( 0.000 -2.063 0.000) 2.063 12.491 ( 0.000 -1.625 0.000) 1.625 12.532 ( 0.000 -10.498 0.000) 10.498 12.725 ( 0.000 -4.290 0.000) 4.290 13.009 ( 0.000 -14.139 0.000) 14.139 13.484 ( 0.000 -13.622 0.000) 13.622 13.538 ( 0.000 -13.223 0.000) 13.223 13.575 ( 0.000 -16.708 0.000) 16.708 15.536 ( 0.000 -10.115 0.000) 10.115 15.683 ( 0.000 -8.394 0.000) 8.394 15.727 ( 0.000 -4.454 0.000) 4.454 15.855 ( 0.000 -2.347 0.000) 2.347 16.350 ( 0.000 -16.547 0.000) 16.547 16.399 ( 0.000 -13.064 0.000) 13.064 16.407 ( 0.000 -12.993 0.000) 12.993 16.526 ( 0.000 -14.873 0.000) 14.873 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 8.028 19.247 0.000) 20.854 1.587 ( 5.747 19.981 0.000) 20.791 2.214 ( -5.668 6.073 0.000) 8.308 2.263 ( 4.779 3.610 0.000) 5.989 2.282 ( 0.913 4.431 0.000) 4.524 2.478 ( 2.720 8.311 0.000) 8.745 2.493 ( -13.569 4.555 0.000) 14.313 2.671 ( 0.807 7.704 0.000) 7.746 2.759 ( 1.356 9.903 0.000) 9.996 2.816 ( 4.286 3.165 0.000) 5.328 2.955 ( 3.913 6.215 0.000) 7.345 2.982 ( -4.681 8.047 0.000) 9.309 3.165 ( 3.460 15.017 0.000) 15.410 3.168 ( -2.145 20.663 0.000) 20.774 3.231 ( -3.551 19.078 0.000) 19.406 3.245 ( 8.228 16.811 0.000) 18.716 3.314 ( 0.651 15.550 0.000) 15.564 3.330 ( 5.919 37.398 0.000) 37.863 3.390 ( 1.690 7.804 0.000) 7.985 3.540 ( -3.270 17.812 0.000) 18.110 3.597 ( 4.217 16.286 0.000) 16.823 3.803 ( -3.366 18.972 0.000) 19.268 4.008 ( -6.210 6.712 0.000) 9.144 4.123 ( -14.443 8.958 0.000) 16.995 4.190 ( -4.669 18.456 0.000) 19.037 4.252 ( -8.819 23.722 0.000) 25.308 4.357 ( 6.086 15.759 0.000) 16.893 4.377 ( 4.523 21.817 0.000) 22.281 4.683 ( 9.589 -3.577 0.000) 10.235 4.725 ( -3.393 -1.139 0.000) 3.579 4.852 ( -7.131 2.468 0.000) 7.546 4.938 ( 0.767 8.508 0.000) 8.543 5.065 ( 2.400 -4.668 0.000) 5.249 5.108 ( -3.120 -2.986 0.000) 4.318 5.360 ( 6.932 -7.929 0.000) 10.532 5.522 ( 0.923 -3.923 0.000) 4.030 6.386 ( -0.868 5.236 0.000) 5.308 6.549 ( 7.192 0.769 0.000) 7.233 6.711 ( -10.979 2.909 0.000) 11.358 7.030 ( -1.277 -2.194 0.000) 2.538 7.493 ( 4.965 -1.547 0.000) 5.201 7.742 ( -0.744 -15.997 0.000) 16.014 7.823 ( 1.718 -5.268 0.000) 5.541 7.971 ( -1.085 -1.585 0.000) 1.920 8.533 ( 3.672 2.268 0.000) 4.316 8.553 ( 6.662 5.058 0.000) 8.364 8.958 ( -3.358 9.923 0.000) 10.476 8.988 ( -5.578 0.753 0.000) 5.629 9.387 ( 10.667 1.203 0.000) 10.734 9.407 ( -0.760 0.681 0.000) 1.020 9.500 ( 11.545 -1.569 0.000) 11.651 9.768 ( 3.155 2.309 0.000) 3.909 9.781 ( -5.205 0.554 0.000) 5.235 9.911 ( 7.500 -9.501 0.000) 12.105 9.970 ( -0.936 2.551 0.000) 2.718 10.054 ( 3.598 8.091 0.000) 8.855 10.217 ( 3.104 1.680 0.000) 3.530 10.274 ( -3.674 -0.111 0.000) 3.675 10.782 ( -6.295 0.430 0.000) 6.309 10.904 ( 7.839 18.637 0.000) 20.218 11.133 ( -0.615 21.367 0.000) 21.376 11.185 ( -9.117 4.240 0.000) 10.055 11.323 ( -6.793 5.995 0.000) 9.060 11.349 ( -3.552 -2.021 0.000) 4.086 11.585 ( 4.692 6.211 0.000) 7.784 11.661 ( 1.997 5.757 0.000) 6.093 11.736 ( -5.042 1.714 0.000) 5.326 11.851 ( 0.288 10.485 0.000) 10.489 12.041 ( -7.463 0.156 0.000) 7.464 12.352 ( -13.458 4.003 0.000) 14.041 12.618 ( 7.374 -7.640 0.000) 10.618 12.710 ( 1.010 -6.904 0.000) 6.977 13.033 ( 1.148 -13.549 0.000) 13.597 13.330 ( -10.034 -13.601 0.000) 16.902 13.594 ( 1.831 -16.765 0.000) 16.864 13.625 ( 3.469 -14.379 0.000) 14.792 15.555 ( 1.999 -8.938 0.000) 9.159 15.692 ( 0.864 -9.290 0.000) 9.330 15.726 ( -0.262 -3.701 0.000) 3.711 15.838 ( -1.589 -3.607 0.000) 3.942 16.335 ( -0.803 -15.965 0.000) 15.985 16.380 ( -2.008 -14.068 0.000) 14.210 16.441 ( 3.627 -13.140 0.000) 13.631 16.557 ( 1.953 -13.887 0.000) 14.023 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 9.827 15.516 0.000) 18.366 1.794 ( 13.375 12.484 0.000) 18.296 2.004 ( -10.136 12.196 0.000) 15.858 2.174 ( -17.965 9.206 0.000) 20.186 2.360 ( 4.439 3.143 0.000) 5.439 2.373 ( 4.398 3.195 0.000) 5.436 2.587 ( 3.703 4.867 0.000) 6.115 2.621 ( -3.235 3.003 0.000) 4.414 2.794 ( 3.170 9.459 0.000) 9.975 2.865 ( -1.578 5.378 0.000) 5.605 2.965 ( 2.088 13.027 0.000) 13.193 2.972 ( 0.284 10.436 0.000) 10.440 3.096 ( -3.570 16.957 0.000) 17.329 3.101 ( -4.981 18.207 0.000) 18.876 3.335 ( 6.445 18.971 0.000) 20.036 3.344 ( 5.983 7.304 0.000) 9.442 3.386 ( -0.943 18.299 0.000) 18.323 3.441 ( 2.721 11.043 0.000) 11.374 3.508 ( 8.903 28.915 0.000) 30.255 3.542 ( 8.881 10.014 0.000) 13.385 3.609 ( -1.427 9.180 0.000) 9.290 3.702 ( -8.711 22.410 0.000) 24.044 3.825 ( -11.309 7.204 0.000) 13.409 3.881 ( -8.302 11.284 0.000) 14.009 4.092 ( -3.527 28.310 0.000) 28.529 4.122 ( -3.608 26.930 0.000) 27.170 4.490 ( 6.693 19.471 0.000) 20.589 4.503 ( 8.397 12.436 0.000) 15.006 4.628 ( -6.169 8.599 0.000) 10.583 4.682 ( -8.710 3.136 0.000) 9.257 4.839 ( 5.306 0.933 0.000) 5.387 4.916 ( -2.700 3.171 0.000) 4.165 5.095 ( 0.570 -3.352 0.000) 3.400 5.096 ( 0.730 -4.164 0.000) 4.228 5.473 ( 4.414 -8.722 0.000) 9.775 5.525 ( -1.030 -6.963 0.000) 7.038 6.412 ( 3.576 6.894 0.000) 7.766 6.524 ( -7.918 6.105 0.000) 9.999 6.716 ( 9.762 -0.847 0.000) 9.798 6.909 ( -9.417 -1.881 0.000) 9.603 7.618 ( 6.434 -8.462 0.000) 10.630 7.709 ( -2.920 -13.182 0.000) 13.502 7.876 ( 3.376 -3.688 0.000) 5.000 7.937 ( -2.528 -2.498 0.000) 3.554 8.594 ( 2.589 2.357 0.000) 3.501 8.630 ( 0.061 5.772 0.000) 5.772 8.912 ( -1.215 1.333 0.000) 1.804 8.917 ( -1.026 6.471 0.000) 6.552 9.449 ( 4.972 1.198 0.000) 5.114 9.546 ( -1.558 1.145 0.000) 1.934 9.726 ( 9.283 0.415 0.000) 9.292 9.780 ( 11.336 4.577 0.000) 12.225 9.802 ( -0.278 2.655 0.000) 2.670 9.963 ( 1.196 1.247 0.000) 1.728 9.988 ( -0.222 -5.677 0.000) 5.681 10.076 ( -11.892 9.977 0.000) 15.523 10.204 ( 4.943 5.229 0.000) 7.195 10.262 ( 0.377 4.825 0.000) 4.840 10.742 ( 3.963 -9.251 0.000) 10.064 10.916 ( -11.432 -2.935 0.000) 11.803 11.086 ( 3.504 15.501 0.000) 15.892 11.118 ( -0.775 19.259 0.000) 19.275 11.245 ( -0.775 0.328 0.000) 0.841 11.279 ( -3.284 -3.538 0.000) 4.827 11.645 ( 2.369 1.168 0.000) 2.641 11.686 ( -0.099 4.675 0.000) 4.676 11.718 ( 4.125 7.111 0.000) 8.221 11.853 ( -9.736 5.318 0.000) 11.093 11.871 ( 3.204 13.191 0.000) 13.575 12.049 ( -14.986 9.556 0.000) 17.773 12.755 ( 5.246 -3.056 0.000) 6.071 12.772 ( 3.342 -2.844 0.000) 4.389 13.045 ( 1.285 -16.292 0.000) 16.343 13.141 ( -8.494 -15.811 0.000) 17.948 13.634 ( 1.899 -16.579 0.000) 16.687 13.656 ( -0.071 -15.721 0.000) 15.721 15.610 ( 3.450 -7.067 0.000) 7.864 15.676 ( -2.822 -6.820 0.000) 7.381 15.746 ( 2.457 -6.097 0.000) 6.573 15.798 ( -2.519 -5.569 0.000) 6.112 16.330 ( 0.290 -15.850 0.000) 15.852 16.346 ( -1.368 -15.321 0.000) 15.382 16.519 ( 3.824 -12.572 0.000) 13.141 16.569 ( -1.036 -12.839 0.000) 12.881 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.000 16.825 0.000) 16.825 1.904 ( 0.000 16.565 0.000) 16.565 2.283 ( 0.000 3.184 0.000) 3.184 2.310 ( 0.000 4.169 0.000) 4.169 2.399 ( 0.000 5.489 0.000) 5.489 2.608 ( 0.000 -2.656 0.000) 2.656 2.678 ( 0.000 7.236 0.000) 7.236 2.715 ( 0.000 0.885 0.000) 0.885 2.733 ( 0.000 0.532 0.000) 0.532 2.892 ( 0.000 7.900 0.000) 7.900 3.109 ( 0.000 12.203 0.000) 12.203 3.231 ( 0.000 4.043 0.000) 4.043 3.266 ( 0.000 -1.714 0.000) 1.714 3.275 ( 0.000 5.293 0.000) 5.293 3.503 ( 0.000 6.933 0.000) 6.933 3.577 ( 0.000 14.798 0.000) 14.798 3.646 ( 0.000 14.174 0.000) 14.174 3.691 ( 0.000 18.010 0.000) 18.010 3.757 ( 0.000 4.670 0.000) 4.670 3.878 ( 0.000 14.800 0.000) 14.800 4.057 ( 0.000 9.577 0.000) 9.577 4.061 ( 0.000 37.356 0.000) 37.356 4.305 ( 0.000 -4.935 0.000) 4.935 4.320 ( 0.000 13.204 0.000) 13.204 4.418 ( 0.000 -4.465 0.000) 4.465 4.605 ( 0.000 5.920 0.000) 5.920 4.607 ( 0.000 5.342 0.000) 5.342 4.691 ( 0.000 5.784 0.000) 5.784 4.799 ( 0.000 22.500 0.000) 22.500 4.824 ( 0.000 27.300 0.000) 27.300 4.985 ( 0.000 -2.079 0.000) 2.079 5.023 ( 0.000 14.924 0.000) 14.924 5.064 ( 0.000 -2.765 0.000) 2.765 5.217 ( 0.000 16.064 0.000) 16.064 5.280 ( 0.000 10.361 0.000) 10.361 5.504 ( 0.000 3.390 0.000) 3.390 6.519 ( 0.000 6.769 0.000) 6.769 6.533 ( 0.000 5.569 0.000) 5.569 6.868 ( 0.000 -0.360 0.000) 0.360 6.990 ( 0.000 1.500 0.000) 1.500 7.420 ( 0.000 -15.601 0.000) 15.601 7.470 ( 0.000 -1.709 0.000) 1.709 7.662 ( 0.000 -8.646 0.000) 8.646 7.881 ( 0.000 -8.817 0.000) 8.817 8.572 ( 0.000 3.728 0.000) 3.728 8.576 ( 0.000 6.809 0.000) 6.809 9.054 ( 0.000 -1.443 0.000) 1.443 9.172 ( 0.000 6.972 0.000) 6.972 9.273 ( 0.000 -11.039 0.000) 11.039 9.287 ( 0.000 1.091 0.000) 1.091 9.358 ( 0.000 4.313 0.000) 4.313 9.660 ( 0.000 -5.518 0.000) 5.518 9.681 ( 0.000 -6.097 0.000) 6.097 9.760 ( 0.000 -4.459 0.000) 4.459 9.977 ( 0.000 -0.512 0.000) 0.512 10.190 ( 0.000 12.633 0.000) 12.633 10.346 ( 0.000 10.742 0.000) 10.742 10.430 ( 0.000 12.729 0.000) 12.729 10.898 ( 0.000 -4.342 0.000) 4.342 11.209 ( 0.000 17.122 0.000) 17.122 11.314 ( 0.000 -5.063 0.000) 5.063 11.414 ( 0.000 5.557 0.000) 5.557 11.491 ( 0.000 10.238 0.000) 10.238 11.556 ( 0.000 4.332 0.000) 4.332 11.676 ( 0.000 10.635 0.000) 10.635 11.802 ( 0.000 10.315 0.000) 10.315 11.900 ( 0.000 -2.945 0.000) 2.945 11.901 ( 0.000 4.923 0.000) 4.923 12.062 ( 0.000 -2.811 0.000) 2.811 12.247 ( 0.000 -14.976 0.000) 14.976 12.435 ( 0.000 -3.559 0.000) 3.559 12.632 ( 0.000 -4.305 0.000) 4.305 12.788 ( 0.000 -6.934 0.000) 6.934 13.192 ( 0.000 -15.569 0.000) 15.569 13.300 ( 0.000 -11.290 0.000) 11.290 13.321 ( 0.000 -9.606 0.000) 9.606 15.345 ( 0.000 -9.122 0.000) 9.122 15.529 ( 0.000 -7.343 0.000) 7.343 15.656 ( 0.000 -2.964 0.000) 2.964 15.778 ( 0.000 -5.496 0.000) 5.496 16.025 ( 0.000 -16.258 0.000) 16.258 16.157 ( 0.000 -12.256 0.000) 12.256 16.160 ( 0.000 -11.242 0.000) 11.242 16.243 ( 0.000 -13.817 0.000) 13.817 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 4.267 15.840 0.000) 16.405 1.933 ( 2.944 15.372 0.000) 15.651 2.313 ( -1.824 4.058 0.000) 4.449 2.318 ( 3.672 2.257 0.000) 4.310 2.363 ( -1.620 3.759 0.000) 4.093 2.536 ( -7.599 0.424 0.000) 7.611 2.644 ( 1.298 8.277 0.000) 8.378 2.731 ( -1.355 0.222 0.000) 1.373 2.865 ( 7.951 1.854 0.000) 8.164 2.915 ( 3.338 6.899 0.000) 7.664 3.060 ( -3.791 7.012 0.000) 7.971 3.105 ( -3.782 5.009 0.000) 6.277 3.325 ( 4.449 0.829 0.000) 4.526 3.328 ( 2.238 4.435 0.000) 4.968 3.516 ( -3.613 13.181 0.000) 13.668 3.549 ( -5.830 10.799 0.000) 12.272 3.631 ( 2.323 13.422 0.000) 13.622 3.680 ( 1.301 12.769 0.000) 12.835 3.764 ( -1.042 2.814 0.000) 3.000 3.844 ( -2.917 16.009 0.000) 16.272 4.048 ( -5.599 17.742 0.000) 18.604 4.094 ( 4.120 12.349 0.000) 13.018 4.177 ( -2.021 18.735 0.000) 18.844 4.227 ( -7.728 13.644 0.000) 15.681 4.502 ( 3.499 -6.965 0.000) 7.794 4.606 ( 0.025 3.709 0.000) 3.709 4.670 ( 2.702 15.504 0.000) 15.737 4.730 ( -2.471 18.240 0.000) 18.407 4.773 ( 2.476 13.449 0.000) 13.675 4.793 ( 0.676 9.969 0.000) 9.992 5.006 ( -1.214 16.423 0.000) 16.467 5.051 ( 4.666 5.891 0.000) 7.515 5.098 ( 2.404 -0.274 0.000) 2.420 5.211 ( -1.816 17.517 0.000) 17.611 5.275 ( 1.004 5.962 0.000) 6.046 5.485 ( -1.984 2.470 0.000) 3.168 6.518 ( 1.024 7.984 0.000) 8.049 6.591 ( 4.836 3.515 0.000) 5.978 6.773 ( -6.845 3.260 0.000) 7.582 6.993 ( -2.730 -1.687 0.000) 3.209 7.432 ( 1.082 -14.829 0.000) 14.869 7.447 ( -0.648 -3.795 0.000) 3.850 7.707 ( 3.662 -6.747 0.000) 7.677 7.874 ( -0.780 -8.182 0.000) 8.220 8.581 ( 1.249 2.681 0.000) 2.958 8.666 ( 7.573 6.379 0.000) 9.902 8.957 ( -7.281 -2.543 0.000) 7.713 9.111 ( -4.308 7.201 0.000) 8.391 9.309 ( 3.008 -7.552 0.000) 8.129 9.407 ( 10.106 1.358 0.000) 10.197 9.487 ( 10.208 0.326 0.000) 10.213 9.719 ( 5.902 -5.049 0.000) 7.767 9.743 ( 0.352 -1.026 0.000) 1.085 9.793 ( 8.919 -4.795 0.000) 10.126 9.992 ( 0.974 0.517 0.000) 1.103 10.216 ( 2.614 9.755 0.000) 10.099 10.364 ( 2.126 10.028 0.000) 10.250 10.425 ( -0.640 14.315 0.000) 14.329 10.743 ( -12.998 -5.188 0.000) 13.995 11.208 ( -11.661 4.756 0.000) 12.594 11.250 ( -5.286 6.848 0.000) 8.651 11.259 ( -5.605 -7.304 0.000) 9.207 11.466 ( -4.792 8.730 0.000) 9.959 11.477 ( -1.736 12.103 0.000) 12.227 11.673 ( -2.050 1.940 0.000) 2.823 11.823 ( 0.430 8.022 0.000) 8.033 11.824 ( 1.902 8.605 0.000) 8.813 12.021 ( 4.904 5.081 0.000) 7.062 12.048 ( -2.737 0.196 0.000) 2.744 12.384 ( 11.322 -13.365 0.000) 17.516 12.431 ( -5.373 3.847 0.000) 6.608 12.529 ( -1.609 -9.333 0.000) 9.470 12.810 ( -0.138 -8.699 0.000) 8.700 13.081 ( -9.163 -12.434 0.000) 15.445 13.313 ( 1.298 -11.747 0.000) 11.818 13.359 ( 1.738 -12.408 0.000) 12.529 15.382 ( 3.500 -8.463 0.000) 9.158 15.522 ( -0.333 -8.124 0.000) 8.131 15.662 ( 0.153 -3.004 0.000) 3.008 15.746 ( -2.781 -6.056 0.000) 6.664 16.022 ( -0.268 -15.673 0.000) 15.675 16.111 ( -3.249 -12.909 0.000) 13.312 16.201 ( 3.899 -11.284 0.000) 11.938 16.294 ( 3.175 -12.889 0.000) 13.275 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 4.713 11.939 0.000) 12.836 2.028 ( 5.951 11.322 0.000) 12.790 2.213 ( -3.665 8.756 0.000) 9.492 2.318 ( -10.172 5.506 0.000) 11.567 2.413 ( 3.930 2.306 0.000) 4.557 2.431 ( 2.910 2.886 0.000) 4.098 2.641 ( -3.699 0.014 0.000) 3.699 2.659 ( -2.019 2.420 0.000) 3.151 2.976 ( 2.300 10.507 0.000) 10.756 3.000 ( 1.398 8.558 0.000) 8.672 3.057 ( 5.935 0.581 0.000) 5.963 3.117 ( 2.585 3.589 0.000) 4.423 3.338 ( -2.813 5.300 0.000) 6.000 3.362 ( -6.212 6.083 0.000) 8.694 3.414 ( 4.990 4.278 0.000) 6.573 3.531 ( 3.039 5.961 0.000) 6.691 3.623 ( -6.485 2.562 0.000) 6.973 3.656 ( -2.387 4.485 0.000) 5.081 3.743 ( 0.466 14.453 0.000) 14.461 3.784 ( -3.027 17.649 0.000) 17.906 3.949 ( 0.769 14.664 0.000) 14.684 4.051 ( -7.875 15.894 0.000) 17.738 4.219 ( 5.318 14.063 0.000) 15.035 4.237 ( 3.660 26.784 0.000) 27.033 4.540 ( 1.070 0.594 0.000) 1.224 4.601 ( -3.213 4.884 0.000) 5.846 4.623 ( -2.689 21.334 0.000) 21.503 4.640 ( -2.442 16.775 0.000) 16.952 4.860 ( 4.035 7.995 0.000) 8.955 4.885 ( 3.669 -1.998 0.000) 4.178 4.990 ( 1.555 24.234 0.000) 24.284 5.086 ( -4.933 14.287 0.000) 15.114 5.133 ( 3.222 7.826 0.000) 8.463 5.170 ( -0.987 8.740 0.000) 8.795 5.337 ( 4.617 1.519 0.000) 4.860 5.426 ( -4.031 0.850 0.000) 4.120 6.562 ( 3.433 8.106 0.000) 8.803 6.649 ( -5.563 6.425 0.000) 8.498 6.714 ( 7.659 0.656 0.000) 7.687 6.874 ( -8.262 -1.718 0.000) 8.438 7.454 ( 0.866 -12.432 0.000) 12.462 7.456 ( 0.669 -8.219 0.000) 8.246 7.782 ( 3.802 -5.956 0.000) 7.066 7.844 ( -2.398 -6.846 0.000) 7.254 8.631 ( 4.065 2.251 0.000) 4.646 8.727 ( -4.192 4.283 0.000) 5.993 8.913 ( 5.162 0.517 0.000) 5.188 9.025 ( -5.003 5.564 0.000) 7.483 9.385 ( 4.848 -5.490 0.000) 7.324 9.476 ( -3.193 -5.211 0.000) 6.112 9.725 ( 12.503 -1.241 0.000) 12.564 9.826 ( 3.101 0.197 0.000) 3.107 9.864 ( 8.214 2.742 0.000) 8.659 9.919 ( 1.266 -3.549 0.000) 3.768 10.022 ( 4.749 6.706 0.000) 8.217 10.210 ( -8.156 8.435 0.000) 11.733 10.425 ( 3.491 9.340 0.000) 9.971 10.444 ( 4.275 16.022 0.000) 16.583 10.560 ( -0.155 -9.338 0.000) 9.339 10.827 ( -20.411 -4.866 0.000) 20.983 11.143 ( -3.758 -10.370 0.000) 11.030 11.174 ( -5.708 -4.048 0.000) 6.998 11.438 ( 0.265 14.102 0.000) 14.104 11.446 ( -1.002 13.046 0.000) 13.084 11.678 ( 5.058 2.869 0.000) 5.814 11.812 ( -5.086 6.881 0.000) 8.557 11.883 ( 4.083 8.464 0.000) 9.397 11.960 ( -4.540 4.551 0.000) 6.429 12.103 ( 4.404 9.203 0.000) 10.203 12.233 ( -9.641 8.695 0.000) 12.983 12.600 ( 9.897 -10.926 0.000) 14.742 12.654 ( 9.650 -8.905 0.000) 13.131 12.758 ( -4.750 -11.488 0.000) 12.432 12.877 ( -11.275 -11.211 0.000) 15.900 13.344 ( 1.625 -12.685 0.000) 12.789 13.368 ( -0.631 -13.254 0.000) 13.269 15.461 ( 4.014 -7.743 0.000) 8.722 15.514 ( -1.164 -8.515 0.000) 8.594 15.661 ( 0.331 -3.960 0.000) 3.974 15.691 ( -2.551 -5.929 0.000) 6.455 16.023 ( 0.660 -14.970 0.000) 14.985 16.053 ( -2.441 -13.987 0.000) 14.198 16.284 ( 3.854 -11.281 0.000) 11.921 16.327 ( -0.201 -11.865 0.000) 11.867 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 11.108 0.000) 11.108 2.172 ( 0.000 10.870 0.000) 10.870 2.346 ( 0.000 3.502 0.000) 3.502 2.365 ( 0.000 1.501 0.000) 1.501 2.484 ( 0.000 3.209 0.000) 3.209 2.554 ( 0.000 -2.840 0.000) 2.840 2.710 ( 0.000 -1.168 0.000) 1.168 2.760 ( 0.000 1.894 0.000) 1.894 2.843 ( 0.000 9.772 0.000) 9.772 3.055 ( 0.000 8.699 0.000) 8.699 3.230 ( 0.000 -1.427 0.000) 1.427 3.288 ( 0.000 2.233 0.000) 2.233 3.331 ( 0.000 1.172 0.000) 1.172 3.348 ( 0.000 12.393 0.000) 12.393 3.573 ( 0.000 1.203 0.000) 1.203 3.766 ( 0.000 0.554 0.000) 0.554 3.773 ( 0.000 4.826 0.000) 4.826 3.797 ( 0.000 1.542 0.000) 1.542 3.928 ( 0.000 5.356 0.000) 5.356 4.154 ( 0.000 -1.376 0.000) 1.376 4.189 ( 0.000 14.049 0.000) 14.049 4.224 ( 0.000 -3.176 0.000) 3.176 4.261 ( 0.000 -6.513 0.000) 6.513 4.550 ( 0.000 11.807 0.000) 11.807 4.555 ( 0.000 -4.699 0.000) 4.699 4.615 ( 0.000 -0.438 0.000) 0.438 4.675 ( 0.000 13.510 0.000) 13.510 4.778 ( 0.000 -0.957 0.000) 0.957 4.961 ( 0.000 8.295 0.000) 8.295 5.181 ( 0.000 14.129 0.000) 14.129 5.199 ( 0.000 18.226 0.000) 18.226 5.309 ( 0.000 21.398 0.000) 21.398 5.403 ( 0.000 20.114 0.000) 20.114 5.577 ( 0.000 17.716 0.000) 17.716 5.584 ( 0.000 18.933 0.000) 18.933 5.658 ( 0.000 10.978 0.000) 10.978 6.643 ( 0.000 5.088 0.000) 5.088 6.675 ( 0.000 7.934 0.000) 7.934 6.874 ( 0.000 0.763 0.000) 0.763 7.010 ( 0.000 0.366 0.000) 0.366 7.178 ( 0.000 -8.046 0.000) 8.046 7.366 ( 0.000 -8.802 0.000) 8.802 7.472 ( 0.000 -10.774 0.000) 10.774 7.680 ( 0.000 -10.219 0.000) 10.219 8.641 ( 0.000 3.962 0.000) 3.962 8.720 ( 0.000 7.387 0.000) 7.387 9.022 ( 0.000 -1.559 0.000) 1.559 9.145 ( 0.000 -0.950 0.000) 0.950 9.259 ( 0.000 0.073 0.000) 0.073 9.404 ( 0.000 9.823 0.000) 9.823 9.458 ( 0.000 6.998 0.000) 6.998 9.557 ( 0.000 -3.728 0.000) 3.728 9.586 ( 0.000 -3.335 0.000) 3.335 9.722 ( 0.000 0.549 0.000) 0.549 10.015 ( 0.000 5.315 0.000) 5.315 10.476 ( 0.000 15.091 0.000) 15.091 10.531 ( 0.000 7.846 0.000) 7.846 10.706 ( 0.000 -13.163 0.000) 13.163 10.714 ( 0.000 15.084 0.000) 15.084 11.202 ( 0.000 -6.294 0.000) 6.294 11.390 ( 0.000 -6.028 0.000) 6.028 11.486 ( 0.000 2.304 0.000) 2.304 11.588 ( 0.000 1.253 0.000) 1.253 11.627 ( 0.000 -3.720 0.000) 3.720 11.666 ( 0.000 -2.718 0.000) 2.718 11.824 ( 0.000 4.249 0.000) 4.249 11.849 ( 0.000 -6.859 0.000) 6.859 11.987 ( 0.000 -4.951 0.000) 4.951 12.032 ( 0.000 8.548 0.000) 8.548 12.145 ( 0.000 1.697 0.000) 1.697 12.439 ( 0.000 4.596 0.000) 4.596 12.595 ( 0.000 0.864 0.000) 0.864 12.750 ( 0.000 1.911 0.000) 1.911 12.901 ( 0.000 -13.891 0.000) 13.891 13.117 ( 0.000 -8.174 0.000) 8.174 13.134 ( 0.000 -10.189 0.000) 10.189 15.193 ( 0.000 -6.055 0.000) 6.055 15.395 ( 0.000 -6.380 0.000) 6.380 15.597 ( 0.000 -4.119 0.000) 4.119 15.643 ( 0.000 -8.212 0.000) 8.212 15.740 ( 0.000 -11.855 0.000) 11.855 15.942 ( 0.000 -9.620 0.000) 9.620 15.962 ( 0.000 -9.135 0.000) 9.135 15.998 ( 0.000 -11.120 0.000) 11.120 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 3.092 11.126 0.000) 11.547 2.183 ( 1.025 10.297 0.000) 10.348 2.360 ( 1.882 2.260 0.000) 2.941 2.368 ( -0.851 1.570 0.000) 1.786 2.431 ( -2.334 3.325 0.000) 4.063 2.526 ( -2.858 -1.220 0.000) 3.108 2.712 ( -1.826 -1.875 0.000) 2.618 2.778 ( -2.153 4.381 0.000) 4.881 2.888 ( 6.694 2.073 0.000) 7.007 3.070 ( 3.330 8.550 0.000) 9.175 3.189 ( -3.885 3.849 0.000) 5.469 3.217 ( -1.240 8.097 0.000) 8.191 3.357 ( 0.889 3.242 0.000) 3.362 3.388 ( 2.128 2.269 0.000) 3.111 3.641 ( -1.314 0.165 0.000) 1.324 3.679 ( -3.502 4.638 0.000) 5.812 3.759 ( -7.951 0.665 0.000) 7.978 3.791 ( -4.123 0.575 0.000) 4.163 3.818 ( 4.100 3.206 0.000) 5.205 4.126 ( -3.565 7.366 0.000) 8.183 4.183 ( -0.648 8.490 0.000) 8.514 4.292 ( 8.089 5.613 0.000) 9.846 4.338 ( 3.711 -4.366 0.000) 5.730 4.487 ( -5.708 12.281 0.000) 13.543 4.536 ( -1.678 -4.394 0.000) 4.704 4.639 ( 0.057 2.178 0.000) 2.178 4.727 ( 5.810 2.953 0.000) 6.517 4.810 ( 3.030 -5.797 0.000) 6.541 4.952 ( -0.233 13.455 0.000) 13.457 5.166 ( -3.508 18.857 0.000) 19.180 5.201 ( 1.863 13.510 0.000) 13.638 5.308 ( -0.400 17.483 0.000) 17.487 5.417 ( 1.416 20.978 0.000) 21.026 5.558 ( -1.941 18.797 0.000) 18.897 5.598 ( 1.384 19.082 0.000) 19.132 5.656 ( -0.241 12.937 0.000) 12.939 6.657 ( 1.442 4.756 0.000) 4.970 6.694 ( 1.921 7.075 0.000) 7.331 6.833 ( -3.457 2.861 0.000) 4.487 6.960 ( -4.923 -1.785 0.000) 5.237 7.198 ( 2.001 -8.113 0.000) 8.356 7.332 ( -1.773 -7.864 0.000) 8.062 7.550 ( 5.553 -9.434 0.000) 10.947 7.687 ( 0.486 -9.836 0.000) 9.848 8.648 ( 1.201 4.500 0.000) 4.658 8.790 ( 6.928 5.921 0.000) 9.114 8.948 ( -6.484 2.823 0.000) 7.072 9.196 ( 4.958 -3.522 0.000) 6.082 9.254 ( -2.357 6.325 0.000) 6.750 9.452 ( 5.986 1.675 0.000) 6.216 9.480 ( 0.014 1.307 0.000) 1.307 9.629 ( 7.493 -4.211 0.000) 8.595 9.699 ( 9.091 -3.546 0.000) 9.758 9.789 ( 8.314 4.980 0.000) 9.692 10.043 ( 2.923 5.457 0.000) 6.190 10.444 ( -3.877 8.547 0.000) 9.385 10.532 ( -0.078 5.992 0.000) 5.992 10.603 ( -7.320 -4.174 0.000) 8.427 10.731 ( 1.262 15.414 0.000) 15.466 11.091 ( -10.346 -8.597 0.000) 13.451 11.142 ( -19.448 -7.758 0.000) 20.938 11.363 ( -10.526 2.521 0.000) 10.824 11.622 ( 1.319 3.426 0.000) 3.672 11.626 ( 1.294 3.954 0.000) 4.161 11.699 ( -1.902 2.805 0.000) 3.388 11.851 ( 2.859 -6.007 0.000) 6.653 11.945 ( 6.176 -6.466 0.000) 8.942 12.000 ( 4.962 7.390 0.000) 8.901 12.006 ( -0.554 -6.112 0.000) 6.137 12.302 ( 10.524 3.681 0.000) 11.149 12.427 ( -0.626 1.570 0.000) 1.690 12.524 ( -5.959 3.725 0.000) 7.028 12.729 ( -2.464 0.834 0.000) 2.601 12.836 ( -6.370 -12.319 0.000) 13.869 13.120 ( 0.345 -8.810 0.000) 8.816 13.137 ( 0.199 -10.881 0.000) 10.883 15.238 ( 4.075 -6.044 0.000) 7.290 15.377 ( -1.207 -6.722 0.000) 6.830 15.591 ( -1.005 -5.515 0.000) 5.606 15.601 ( -3.394 -8.690 0.000) 9.329 15.754 ( 1.128 -10.441 0.000) 10.502 15.895 ( -3.279 -9.023 0.000) 9.601 16.002 ( 3.819 -9.213 0.000) 9.973 16.061 ( 3.969 -10.920 0.000) 11.619 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 1.548 8.369 0.000) 8.511 2.229 ( 0.725 9.151 0.000) 9.180 2.340 ( 0.950 4.476 0.000) 4.575 2.393 ( -1.320 2.593 0.000) 2.910 2.451 ( 2.755 1.542 0.000) 3.158 2.479 ( -0.083 1.692 0.000) 1.694 2.635 ( -3.081 -0.699 0.000) 3.159 2.686 ( -6.112 0.492 0.000) 6.131 3.044 ( 7.766 -0.965 0.000) 7.826 3.141 ( -2.462 1.005 0.000) 2.659 3.198 ( 6.642 10.094 0.000) 12.083 3.215 ( 1.705 13.627 0.000) 13.733 3.366 ( 0.139 -0.782 0.000) 0.794 3.422 ( 0.016 2.949 0.000) 2.949 3.462 ( -6.164 -0.528 0.000) 6.186 3.597 ( -9.957 -0.489 0.000) 9.969 3.683 ( -0.099 5.560 0.000) 5.561 3.709 ( -1.402 2.624 0.000) 2.975 3.955 ( 7.239 4.654 0.000) 8.606 4.065 ( -4.135 8.611 0.000) 9.552 4.222 ( 4.985 11.391 0.000) 12.434 4.343 ( -6.186 13.379 0.000) 14.740 4.390 ( 1.662 0.154 0.000) 1.669 4.402 ( 0.463 8.897 0.000) 8.909 4.533 ( 2.446 -7.795 0.000) 8.170 4.602 ( -3.466 -2.449 0.000) 4.244 4.840 ( 4.332 -5.827 0.000) 7.260 4.866 ( 1.583 -9.126 0.000) 9.262 4.980 ( 3.402 20.714 0.000) 20.992 5.073 ( -5.500 20.764 0.000) 21.480 5.243 ( 2.313 12.093 0.000) 12.312 5.286 ( -1.882 12.485 0.000) 12.626 5.454 ( 2.349 21.947 0.000) 22.073 5.507 ( -2.990 21.072 0.000) 21.283 5.629 ( 1.492 18.686 0.000) 18.745 5.649 ( -0.575 16.625 0.000) 16.635 6.700 ( 2.903 4.804 0.000) 5.613 6.750 ( 3.887 3.740 0.000) 5.394 6.763 ( -3.507 4.975 0.000) 6.087 6.847 ( -5.941 -0.812 0.000) 5.997 7.247 ( 2.780 -8.203 0.000) 8.662 7.297 ( -2.175 -7.950 0.000) 8.242 7.644 ( 3.649 -8.294 0.000) 9.061 7.687 ( -0.861 -8.904 0.000) 8.945 8.702 ( 4.447 5.325 0.000) 6.938 8.813 ( -6.711 5.372 0.000) 8.597 8.964 ( 10.040 4.534 0.000) 11.017 9.147 ( -8.135 7.040 0.000) 10.758 9.307 ( 5.944 -1.762 0.000) 6.199 9.416 ( -5.033 -0.139 0.000) 5.035 9.640 ( 11.281 -7.262 0.000) 13.416 9.791 ( 0.753 -7.625 0.000) 7.662 9.835 ( 7.846 -1.045 0.000) 7.915 9.935 ( 1.158 5.204 0.000) 5.331 10.190 ( 13.989 7.510 0.000) 15.877 10.349 ( -2.062 -4.696 0.000) 5.129 10.487 ( -5.954 -3.983 0.000) 7.163 10.498 ( -7.319 13.026 0.000) 14.941 10.753 ( 1.940 13.475 0.000) 13.614 10.834 ( -8.974 6.916 0.000) 11.329 10.917 ( -2.348 -10.094 0.000) 10.363 11.081 ( -15.558 -3.501 0.000) 15.947 11.627 ( -0.059 5.959 0.000) 5.959 11.644 ( -1.716 7.192 0.000) 7.394 11.720 ( 6.944 -0.249 0.000) 6.948 11.868 ( -5.901 -2.486 0.000) 6.403 11.985 ( 1.685 -3.075 0.000) 3.506 11.996 ( 1.332 1.038 0.000) 1.689 12.173 ( 8.984 0.168 0.000) 8.986 12.340 ( -8.215 1.749 0.000) 8.399 12.497 ( 8.990 1.876 0.000) 9.184 12.515 ( 5.667 -2.855 0.000) 6.345 12.649 ( -5.701 0.742 0.000) 5.750 12.678 ( -9.011 -8.982 0.000) 12.723 13.129 ( 0.494 -10.018 0.000) 10.030 13.137 ( -0.247 -10.965 0.000) 10.968 15.321 ( 3.660 -6.352 0.000) 7.331 15.361 ( -0.774 -7.050 0.000) 7.092 15.549 ( -1.235 -8.671 0.000) 8.759 15.559 ( -1.759 -7.268 0.000) 7.478 15.780 ( 1.808 -8.877 0.000) 9.059 15.830 ( -3.231 -8.497 0.000) 9.091 16.081 ( 3.399 -9.637 0.000) 10.218 16.110 ( 0.635 -10.340 0.000) 10.359 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.000 5.598 0.000) 5.598 2.324 ( 0.000 5.025 0.000) 5.025 2.377 ( 0.000 0.029 0.000) 0.029 2.433 ( 0.000 5.399 0.000) 5.399 2.500 ( 0.000 -2.669 0.000) 2.669 2.543 ( 0.000 3.510 0.000) 3.510 2.675 ( 0.000 -2.343 0.000) 2.343 2.782 ( 0.000 -0.315 0.000) 0.315 3.044 ( 0.000 10.165 0.000) 10.165 3.211 ( 0.000 6.195 0.000) 6.195 3.225 ( 0.000 1.115 0.000) 1.115 3.334 ( 0.000 -0.692 0.000) 0.692 3.342 ( 0.000 4.524 0.000) 4.524 3.582 ( 0.000 11.137 0.000) 11.137 3.584 ( 0.000 0.431 0.000) 0.431 3.740 ( 0.000 -2.238 0.000) 2.238 3.783 ( 0.000 -2.508 0.000) 2.508 3.846 ( 0.000 3.287 0.000) 3.287 3.922 ( 0.000 -4.247 0.000) 4.247 4.060 ( 0.000 -6.070 0.000) 6.070 4.075 ( 0.000 -9.269 0.000) 9.269 4.186 ( 0.000 -0.268 0.000) 0.268 4.401 ( 0.000 -10.382 0.000) 10.382 4.457 ( 0.000 10.460 0.000) 10.460 4.599 ( 0.000 -10.054 0.000) 10.054 4.632 ( 0.000 1.654 0.000) 1.654 4.763 ( 0.000 9.107 0.000) 9.107 4.820 ( 0.000 4.655 0.000) 4.655 5.351 ( 0.000 20.804 0.000) 20.804 5.441 ( 0.000 10.952 0.000) 10.952 5.486 ( 0.000 10.711 0.000) 10.711 5.637 ( 0.000 11.903 0.000) 11.903 5.743 ( 0.000 14.084 0.000) 14.084 5.863 ( 0.000 8.831 0.000) 8.831 5.897 ( 0.000 14.027 0.000) 14.027 5.910 ( 0.000 13.836 0.000) 13.836 6.705 ( 0.000 1.084 0.000) 1.084 6.752 ( 0.000 -0.582 0.000) 0.582 6.893 ( 0.000 1.173 0.000) 1.173 7.001 ( 0.000 -1.351 0.000) 1.351 7.162 ( 0.000 6.156 0.000) 6.156 7.171 ( 0.000 -9.595 0.000) 9.595 7.254 ( 0.000 -10.934 0.000) 10.934 7.525 ( 0.000 -5.461 0.000) 5.461 8.738 ( 0.000 6.035 0.000) 6.035 8.843 ( 0.000 4.940 0.000) 4.940 8.993 ( 0.000 -1.496 0.000) 1.496 9.180 ( 0.000 -6.780 0.000) 6.780 9.216 ( 0.000 6.951 0.000) 6.951 9.545 ( 0.000 -1.554 0.000) 1.554 9.564 ( 0.000 5.163 0.000) 5.163 9.621 ( 0.000 8.511 0.000) 8.511 9.637 ( 0.000 13.712 0.000) 13.712 9.764 ( 0.000 3.186 0.000) 3.186 10.174 ( 0.000 9.775 0.000) 9.775 10.368 ( 0.000 -16.781 0.000) 16.781 10.634 ( 0.000 2.257 0.000) 2.257 10.814 ( 0.000 14.273 0.000) 14.273 10.967 ( 0.000 -26.383 0.000) 26.383 10.971 ( 0.000 9.733 0.000) 9.733 11.097 ( 0.000 -2.690 0.000) 2.690 11.522 ( 0.000 1.812 0.000) 1.812 11.565 ( 0.000 -3.537 0.000) 3.537 11.620 ( 0.000 0.977 0.000) 0.977 11.659 ( 0.000 -8.918 0.000) 8.918 11.752 ( 0.000 4.555 0.000) 4.555 11.867 ( 0.000 0.742 0.000) 0.742 11.876 ( 0.000 -6.251 0.000) 6.251 12.209 ( 0.000 4.382 0.000) 4.382 12.216 ( 0.000 10.185 0.000) 10.185 12.546 ( 0.000 5.635 0.000) 5.635 12.652 ( 0.000 4.318 0.000) 4.318 12.657 ( 0.000 -11.170 0.000) 11.170 12.803 ( 0.000 2.160 0.000) 2.160 12.917 ( 0.000 -11.942 0.000) 11.942 12.962 ( 0.000 -8.006 0.000) 8.006 15.122 ( 0.000 -1.007 0.000) 1.007 15.287 ( 0.000 -4.384 0.000) 4.384 15.442 ( 0.000 -9.681 0.000) 9.681 15.467 ( 0.000 -9.553 0.000) 9.553 15.627 ( 0.000 -1.494 0.000) 1.494 15.788 ( 0.000 -6.126 0.000) 6.126 15.803 ( 0.000 -7.165 0.000) 7.165 15.817 ( 0.000 -7.360 0.000) 7.360 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 0.803 5.160 0.000) 5.222 2.337 ( 3.081 5.125 0.000) 5.979 2.385 ( 0.402 0.467 0.000) 0.616 2.415 ( -0.731 3.473 0.000) 3.549 2.498 ( -0.224 -1.275 0.000) 1.294 2.501 ( -3.094 4.388 0.000) 5.369 2.664 ( -1.921 -2.928 0.000) 3.502 2.786 ( -2.156 -2.439 0.000) 3.255 2.984 ( -1.229 6.892 0.000) 7.000 3.216 ( 1.921 5.526 0.000) 5.851 3.275 ( -3.312 5.617 0.000) 6.521 3.302 ( 3.846 0.182 0.000) 3.850 3.425 ( 5.071 1.274 0.000) 5.229 3.495 ( -4.412 10.227 0.000) 11.138 3.604 ( -1.251 -3.326 0.000) 3.554 3.727 ( -2.790 0.319 0.000) 2.808 3.739 ( -7.786 -0.741 0.000) 7.821 3.790 ( -0.929 0.882 0.000) 1.281 3.893 ( 4.374 4.809 0.000) 6.501 4.141 ( 6.208 -6.776 0.000) 9.190 4.169 ( -1.430 -0.620 0.000) 1.559 4.224 ( 8.366 -9.063 0.000) 12.334 4.448 ( 4.847 -7.953 0.000) 9.313 4.468 ( 1.064 9.369 0.000) 9.429 4.571 ( -2.083 -7.198 0.000) 7.493 4.657 ( 1.600 -2.543 0.000) 3.005 4.707 ( -5.116 9.052 0.000) 10.397 4.761 ( -5.571 3.184 0.000) 6.417 5.349 ( 0.069 19.406 0.000) 19.407 5.451 ( 0.307 10.751 0.000) 10.755 5.468 ( -1.201 11.352 0.000) 11.416 5.596 ( -3.465 10.888 0.000) 11.426 5.770 ( 2.511 14.749 0.000) 14.961 5.893 ( -0.603 14.478 0.000) 14.490 5.896 ( 2.612 10.241 0.000) 10.569 5.924 ( 1.285 13.662 0.000) 13.722 6.719 ( 1.336 1.686 0.000) 2.151 6.775 ( 2.133 0.265 0.000) 2.149 6.885 ( -0.991 2.453 0.000) 2.645 6.924 ( -5.417 -1.712 0.000) 5.681 7.160 ( -0.226 4.134 0.000) 4.140 7.166 ( -0.168 -8.069 0.000) 8.071 7.350 ( 6.898 -10.553 0.000) 12.607 7.523 ( -0.265 -6.730 0.000) 6.735 8.761 ( 2.539 7.023 0.000) 7.468 8.891 ( 5.108 4.677 0.000) 6.926 9.050 ( 2.460 4.710 0.000) 5.314 9.171 ( -0.068 2.107 0.000) 2.108 9.250 ( 6.740 -6.402 0.000) 9.296 9.526 ( -7.915 8.331 0.000) 11.492 9.590 ( 3.472 -0.186 0.000) 3.477 9.605 ( -3.963 8.963 0.000) 9.800 9.652 ( 7.221 -0.869 0.000) 7.273 9.882 ( 10.153 3.403 0.000) 10.708 10.190 ( 0.966 7.967 0.000) 8.025 10.300 ( -5.380 -13.231 0.000) 14.283 10.549 ( -8.084 -4.585 0.000) 9.294 10.788 ( -1.469 10.224 0.000) 10.329 10.942 ( -1.117 -11.077 0.000) 11.133 10.963 ( -6.307 7.196 0.000) 9.568 11.023 ( -2.131 5.002 0.000) 5.438 11.401 ( -11.773 2.616 0.000) 12.060 11.596 ( -0.392 -1.851 0.000) 1.892 11.640 ( 3.607 -2.114 0.000) 4.181 11.680 ( 5.319 -9.420 0.000) 10.818 11.790 ( -0.643 3.987 0.000) 4.039 11.857 ( -2.467 -7.342 0.000) 7.746 11.882 ( 3.842 -0.654 0.000) 3.897 12.153 ( 1.293 7.600 0.000) 7.709 12.395 ( 10.017 5.218 0.000) 11.294 12.494 ( -4.853 4.194 0.000) 6.414 12.612 ( -3.894 5.457 0.000) 6.704 12.617 ( -3.775 -9.956 0.000) 10.647 12.779 ( -2.484 2.120 0.000) 3.266 12.920 ( 0.248 -11.456 0.000) 11.459 12.951 ( -0.855 -8.644 0.000) 8.686 15.158 ( 3.229 -1.929 0.000) 3.761 15.266 ( -1.530 -4.375 0.000) 4.635 15.424 ( -3.414 -8.989 0.000) 9.616 15.425 ( -1.635 -9.551 0.000) 9.689 15.651 ( 1.848 -1.622 0.000) 2.459 15.760 ( -1.871 -4.868 0.000) 5.215 15.840 ( 3.459 -7.387 0.000) 8.157 15.872 ( 3.775 -8.246 0.000) 9.069 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 0.540 5.583 0.000) 5.609 2.370 ( -1.835 4.434 0.000) 4.799 2.412 ( 3.752 3.898 0.000) 5.410 2.435 ( 1.573 1.931 0.000) 2.491 2.472 ( 0.565 0.933 0.000) 1.091 2.493 ( -0.271 -0.051 0.000) 0.275 2.610 ( -1.824 -1.951 0.000) 2.671 2.675 ( -7.008 -1.737 0.000) 7.220 3.048 ( 5.771 1.841 0.000) 6.058 3.156 ( -5.045 1.449 0.000) 5.249 3.322 ( 0.851 -3.744 0.000) 3.840 3.383 ( 8.551 7.449 0.000) 11.340 3.405 ( -4.755 -4.358 0.000) 6.451 3.492 ( 2.257 14.026 0.000) 14.207 3.537 ( -1.989 9.106 0.000) 9.320 3.596 ( -9.823 1.858 0.000) 9.997 3.733 ( 3.293 -1.076 0.000) 3.465 3.775 ( -0.813 2.473 0.000) 2.603 4.002 ( 5.885 3.186 0.000) 6.692 4.104 ( -4.407 -0.149 0.000) 4.410 4.289 ( 6.356 -5.694 0.000) 8.534 4.325 ( 2.274 -11.362 0.000) 11.588 4.494 ( 1.893 3.820 0.000) 4.263 4.546 ( 0.319 1.731 0.000) 1.760 4.549 ( 2.940 1.489 0.000) 3.295 4.586 ( -6.732 8.152 0.000) 10.572 4.657 ( -2.683 -5.252 0.000) 5.898 4.669 ( -0.791 -7.340 0.000) 7.382 5.364 ( 1.611 16.461 0.000) 16.540 5.410 ( -2.865 13.411 0.000) 13.714 5.486 ( 1.703 10.359 0.000) 10.498 5.529 ( -2.937 10.206 0.000) 10.620 5.825 ( 2.773 15.593 0.000) 15.838 5.870 ( -1.784 15.379 0.000) 15.482 5.939 ( 1.467 11.930 0.000) 12.020 5.947 ( 0.646 13.034 0.000) 13.050 6.756 ( 2.537 2.136 0.000) 3.317 6.820 ( -4.140 1.068 0.000) 4.275 6.824 ( 2.631 2.033 0.000) 3.325 6.867 ( -1.782 2.668 0.000) 3.208 7.157 ( 0.043 -0.567 0.000) 0.569 7.161 ( -0.318 -5.227 0.000) 5.236 7.462 ( 4.087 -10.128 0.000) 10.922 7.510 ( -1.269 -8.943 0.000) 9.033 8.840 ( 5.481 8.698 0.000) 10.281 8.952 ( -4.601 8.769 0.000) 9.903 9.080 ( 9.375 7.155 0.000) 11.793 9.300 ( -10.291 8.664 0.000) 13.452 9.308 ( 9.812 0.816 0.000) 9.845 9.433 ( 3.813 -4.761 0.000) 6.100 9.507 ( -2.972 0.178 0.000) 2.978 9.614 ( -4.089 -9.758 0.000) 10.580 9.803 ( 10.445 -1.877 0.000) 10.612 10.013 ( -4.630 0.523 0.000) 4.660 10.180 ( 1.528 -7.941 0.000) 8.086 10.228 ( -1.887 -7.463 0.000) 7.698 10.469 ( 4.804 4.919 0.000) 6.876 10.684 ( -13.029 -0.598 0.000) 13.043 10.876 ( 5.965 16.707 0.000) 17.740 10.959 ( 2.418 2.389 0.000) 3.399 11.011 ( -1.441 6.809 0.000) 6.960 11.114 ( -15.475 7.700 0.000) 17.285 11.647 ( 5.008 -5.447 0.000) 7.399 11.680 ( 2.293 -0.641 0.000) 2.381 11.741 ( -3.100 3.205 0.000) 4.459 11.767 ( -5.713 -5.268 0.000) 7.771 11.845 ( 7.761 -9.349 0.000) 12.151 11.935 ( -0.555 -4.977 0.000) 5.008 12.235 ( 6.456 5.175 0.000) 8.274 12.374 ( -7.195 3.137 0.000) 7.849 12.534 ( -1.522 -2.969 0.000) 3.337 12.536 ( -2.641 3.266 0.000) 4.200 12.581 ( 6.797 2.312 0.000) 7.180 12.706 ( -5.152 2.809 0.000) 5.868 12.926 ( 0.388 -10.658 0.000) 10.665 12.936 ( -0.633 -9.804 0.000) 9.824 15.221 ( 2.524 -3.738 0.000) 4.511 15.246 ( -0.625 -4.527 0.000) 4.570 15.373 ( -1.087 -8.604 0.000) 8.672 15.387 ( -1.920 -9.075 0.000) 9.276 15.685 ( 1.709 -1.737 0.000) 2.437 15.721 ( -2.041 -2.936 0.000) 3.576 15.908 ( 2.699 -8.085 0.000) 8.524 15.925 ( 1.092 -8.577 0.000) 8.646 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.000 1.168 0.000) 1.168 2.375 ( 0.000 -0.133 0.000) 0.133 2.397 ( 0.000 2.947 0.000) 2.947 2.449 ( 0.000 -2.568 0.000) 2.568 2.536 ( 0.000 4.861 0.000) 4.861 2.618 ( 0.000 -3.540 0.000) 3.540 2.634 ( 0.000 5.537 0.000) 5.537 2.735 ( 0.000 -4.282 0.000) 4.282 3.209 ( 0.000 5.899 0.000) 5.899 3.255 ( 0.000 0.734 0.000) 0.734 3.280 ( 0.000 1.924 0.000) 1.924 3.311 ( 0.000 -1.458 0.000) 1.458 3.476 ( 0.000 7.635 0.000) 7.635 3.580 ( 0.000 -2.067 0.000) 2.067 3.705 ( 0.000 -0.873 0.000) 0.873 3.723 ( 0.000 -2.625 0.000) 2.625 3.765 ( 0.000 7.549 0.000) 7.549 3.836 ( 0.000 -2.471 0.000) 2.471 3.859 ( 0.000 -3.017 0.000) 3.017 3.907 ( 0.000 -7.745 0.000) 7.745 4.033 ( 0.000 5.229 0.000) 5.229 4.194 ( 0.000 -10.126 0.000) 10.126 4.239 ( 0.000 5.935 0.000) 5.935 4.399 ( 0.000 -9.833 0.000) 9.833 4.603 ( 0.000 4.667 0.000) 4.667 4.650 ( 0.000 -0.421 0.000) 0.421 4.887 ( 0.000 3.450 0.000) 3.450 4.897 ( 0.000 2.216 0.000) 2.216 5.590 ( 0.000 4.380 0.000) 4.380 5.611 ( 0.000 2.396 0.000) 2.396 5.664 ( 0.000 10.782 0.000) 10.782 5.762 ( 0.000 0.757 0.000) 0.757 5.939 ( 0.000 5.889 0.000) 5.889 5.974 ( 0.000 2.140 0.000) 2.140 6.094 ( 0.000 5.558 0.000) 5.558 6.099 ( 0.000 5.060 0.000) 5.060 6.705 ( 0.000 -0.289 0.000) 0.289 6.717 ( 0.000 -1.671 0.000) 1.671 6.920 ( 0.000 1.623 0.000) 1.623 6.959 ( 0.000 -2.510 0.000) 2.510 7.047 ( 0.000 -2.372 0.000) 2.372 7.081 ( 0.000 -5.844 0.000) 5.844 7.319 ( 0.000 7.896 0.000) 7.896 7.439 ( 0.000 -4.531 0.000) 4.531 8.873 ( 0.000 7.669 0.000) 7.669 8.915 ( 0.000 2.746 0.000) 2.746 8.960 ( 0.000 -1.975 0.000) 1.975 9.030 ( 0.000 -8.171 0.000) 8.171 9.369 ( 0.000 7.793 0.000) 7.793 9.493 ( 0.000 -4.458 0.000) 4.458 9.752 ( 0.000 13.219 0.000) 13.219 9.755 ( 0.000 4.748 0.000) 4.748 9.795 ( 0.000 0.666 0.000) 0.666 9.959 ( 0.000 17.945 0.000) 17.945 10.043 ( 0.000 -16.132 0.000) 16.132 10.281 ( 0.000 -6.875 0.000) 6.875 10.560 ( 0.000 -7.436 0.000) 7.436 10.611 ( 0.000 -4.238 0.000) 4.238 10.969 ( 0.000 3.377 0.000) 3.377 11.038 ( 0.000 -2.344 0.000) 2.344 11.205 ( 0.000 11.877 0.000) 11.877 11.426 ( 0.000 -9.823 0.000) 9.823 11.566 ( 0.000 2.614 0.000) 2.614 11.612 ( 0.000 -1.716 0.000) 1.716 11.621 ( 0.000 4.253 0.000) 4.253 11.745 ( 0.000 -7.096 0.000) 7.096 11.823 ( 0.000 2.851 0.000) 2.851 11.863 ( 0.000 -1.145 0.000) 1.145 12.314 ( 0.000 6.453 0.000) 6.453 12.430 ( 0.000 11.154 0.000) 11.154 12.464 ( 0.000 -8.049 0.000) 8.049 12.662 ( 0.000 6.569 0.000) 6.569 12.675 ( 0.000 -12.737 0.000) 12.737 12.741 ( 0.000 4.168 0.000) 4.168 12.806 ( 0.000 -7.619 0.000) 7.619 12.807 ( 0.000 -1.811 0.000) 1.811 15.158 ( 0.000 4.531 0.000) 4.531 15.239 ( 0.000 -0.176 0.000) 0.176 15.288 ( 0.000 -8.404 0.000) 8.404 15.290 ( 0.000 -5.393 0.000) 5.393 15.628 ( 0.000 1.525 0.000) 1.525 15.687 ( 0.000 -4.550 0.000) 4.550 15.708 ( 0.000 -1.916 0.000) 1.916 15.717 ( 0.000 -2.829 0.000) 2.829 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 1.684 0.780 0.000) 1.856 2.392 ( 1.758 0.114 0.000) 1.762 2.402 ( 0.834 2.517 0.000) 2.652 2.442 ( -0.327 -1.384 0.000) 1.422 2.522 ( -1.174 3.884 0.000) 4.057 2.599 ( -1.948 -3.749 0.000) 4.225 2.606 ( -2.840 5.819 0.000) 6.475 2.712 ( -2.897 -4.853 0.000) 5.652 3.127 ( -3.858 7.286 0.000) 8.244 3.251 ( -2.268 -4.967 0.000) 5.460 3.304 ( 0.619 4.185 0.000) 4.230 3.363 ( 0.048 0.404 0.000) 0.407 3.434 ( 1.506 2.158 0.000) 2.631 3.521 ( -3.264 -4.954 0.000) 5.933 3.683 ( -0.003 6.689 0.000) 6.689 3.729 ( 0.274 0.235 0.000) 0.361 3.798 ( -0.330 6.923 0.000) 6.931 3.819 ( 1.184 3.629 0.000) 3.817 3.947 ( 4.997 -4.470 0.000) 6.704 3.976 ( 6.956 -9.718 0.000) 11.951 4.099 ( 4.804 2.249 0.000) 5.304 4.215 ( -2.077 6.190 0.000) 6.529 4.253 ( 5.634 -10.309 0.000) 11.748 4.381 ( -1.564 -9.906 0.000) 10.028 4.608 ( 0.685 4.333 0.000) 4.387 4.650 ( 0.011 -0.355 0.000) 0.355 4.830 ( -5.357 3.318 0.000) 6.302 4.836 ( -5.734 2.482 0.000) 6.248 5.595 ( 0.297 4.042 0.000) 4.053 5.607 ( -0.322 3.024 0.000) 3.041 5.634 ( -2.352 9.461 0.000) 9.749 5.715 ( -3.729 1.117 0.000) 3.893 5.980 ( 3.517 6.571 0.000) 7.454 6.022 ( 3.767 2.285 0.000) 4.406 6.096 ( 0.019 5.840 0.000) 5.840 6.107 ( 0.683 4.677 0.000) 4.726 6.734 ( 2.699 0.379 0.000) 2.725 6.751 ( 3.180 -1.490 0.000) 3.511 6.905 ( -3.313 -0.035 0.000) 3.313 6.915 ( -0.745 -0.030 0.000) 0.746 7.074 ( 2.564 0.124 0.000) 2.567 7.164 ( 5.902 -7.914 0.000) 9.872 7.287 ( -3.094 7.141 0.000) 7.783 7.410 ( -2.748 -5.565 0.000) 6.207 8.916 ( 4.351 8.735 0.000) 9.759 8.976 ( 6.584 4.089 0.000) 7.750 9.047 ( 8.761 -2.945 0.000) 9.243 9.091 ( 6.069 -8.975 0.000) 10.834 9.315 ( -4.741 9.966 0.000) 11.036 9.500 ( -1.009 -8.159 0.000) 8.221 9.702 ( -5.792 8.093 0.000) 9.952 9.769 ( 2.042 11.275 0.000) 11.458 9.770 ( -6.498 4.101 0.000) 7.684 9.939 ( 1.679 6.285 0.000) 6.505 10.028 ( -0.886 -14.296 0.000) 14.323 10.169 ( -10.559 -12.164 0.000) 16.108 10.543 ( 3.051 8.195 0.000) 8.744 10.740 ( 7.610 -10.276 0.000) 12.787 10.902 ( -5.468 6.117 0.000) 8.204 11.036 ( -1.313 -5.419 0.000) 5.576 11.211 ( 0.573 15.032 0.000) 15.043 11.480 ( 4.955 -12.073 0.000) 13.050 11.481 ( -7.318 5.008 0.000) 8.867 11.561 ( -3.311 -2.697 0.000) 4.271 11.639 ( 1.876 3.653 0.000) 4.106 11.739 ( -0.550 -5.453 0.000) 5.480 11.843 ( -0.748 1.825 0.000) 1.972 11.870 ( 0.707 -0.941 0.000) 1.177 12.300 ( 0.532 7.517 0.000) 7.536 12.446 ( -0.746 -7.776 0.000) 7.812 12.515 ( 6.417 7.639 0.000) 9.976 12.595 ( -5.762 6.359 0.000) 8.581 12.699 ( 2.035 -10.865 0.000) 11.053 12.705 ( -5.901 0.707 0.000) 5.943 12.761 ( -0.544 -2.103 0.000) 2.172 12.815 ( -1.310 -4.020 0.000) 4.229 15.168 ( 0.901 2.942 0.000) 3.077 15.220 ( -1.535 -0.020 0.000) 1.535 15.266 ( -1.803 -6.887 0.000) 7.120 15.273 ( -1.495 -5.495 0.000) 5.695 15.654 ( 2.123 1.773 0.000) 2.766 15.708 ( 0.192 -0.379 0.000) 0.424 15.719 ( 2.816 -4.902 0.000) 5.653 15.747 ( 2.343 -4.369 0.000) 4.958 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 1.508 1.631 0.000) 2.222 2.426 ( 0.960 2.865 0.000) 3.022 2.443 ( 3.036 -0.725 0.000) 3.122 2.460 ( 2.030 -0.418 0.000) 2.072 2.501 ( -0.739 2.102 0.000) 2.228 2.535 ( -3.874 4.772 0.000) 6.147 2.559 ( -0.894 -3.117 0.000) 3.242 2.620 ( -5.710 -3.771 0.000) 6.843 3.117 ( 2.764 5.010 0.000) 5.722 3.209 ( -6.139 4.031 0.000) 7.344 3.226 ( 1.089 -5.714 0.000) 5.817 3.305 ( -6.317 -5.414 0.000) 8.320 3.508 ( 7.659 6.094 0.000) 9.788 3.621 ( 7.674 -4.505 0.000) 8.898 3.639 ( -4.800 4.568 0.000) 6.626 3.726 ( -2.450 -1.835 0.000) 3.061 3.802 ( 0.503 11.919 0.000) 11.929 3.815 ( -0.722 11.837 0.000) 11.859 4.036 ( 3.969 -8.453 0.000) 9.339 4.078 ( 1.146 -12.611 0.000) 12.663 4.172 ( 2.239 4.237 0.000) 4.792 4.186 ( -0.232 7.179 0.000) 7.183 4.358 ( 3.474 -11.722 0.000) 12.226 4.368 ( 0.762 -10.345 0.000) 10.373 4.636 ( 2.430 3.294 0.000) 4.093 4.652 ( 0.649 1.277 0.000) 1.432 4.708 ( -5.789 3.558 0.000) 6.795 4.717 ( -5.592 2.656 0.000) 6.190 5.590 ( -0.367 5.190 0.000) 5.203 5.597 ( -1.172 7.298 0.000) 7.392 5.615 ( 1.047 2.698 0.000) 2.894 5.649 ( -2.644 1.831 0.000) 3.216 6.047 ( 2.974 6.936 0.000) 7.547 6.087 ( -1.126 6.527 0.000) 6.624 6.087 ( 2.546 2.899 0.000) 3.858 6.114 ( -0.302 3.784 0.000) 3.796 6.794 ( 3.122 1.749 0.000) 3.578 6.824 ( 3.927 -1.248 0.000) 4.121 6.848 ( -2.614 2.016 0.000) 3.301 6.887 ( -2.359 -1.198 0.000) 2.646 7.136 ( 3.709 3.368 0.000) 5.010 7.213 ( -4.117 5.449 0.000) 6.829 7.268 ( 4.556 -9.118 0.000) 10.193 7.345 ( -3.670 -7.817 0.000) 8.635 9.032 ( 7.113 10.672 0.000) 12.825 9.137 ( 3.103 9.462 0.000) 9.958 9.233 ( 3.091 8.326 0.000) 8.881 9.244 ( 8.942 -10.799 0.000) 14.020 9.283 ( 14.505 -4.205 0.000) 15.102 9.419 ( -6.742 -10.097 0.000) 12.141 9.485 ( -14.838 8.978 0.000) 17.343 9.579 ( -13.137 1.364 0.000) 13.207 9.834 ( 4.617 6.382 0.000) 7.877 9.951 ( -6.934 -2.770 0.000) 7.467 10.016 ( 1.098 -7.649 0.000) 7.727 10.028 ( 0.439 -11.868 0.000) 11.876 10.646 ( 6.627 11.974 0.000) 13.685 10.780 ( -6.869 9.755 0.000) 11.931 10.875 ( 6.291 -9.864 0.000) 11.700 10.980 ( -4.339 -8.242 0.000) 9.314 11.237 ( 2.729 17.815 0.000) 18.022 11.332 ( -6.947 12.548 0.000) 14.343 11.537 ( 0.914 -7.441 0.000) 7.497 11.557 ( 0.903 -14.542 0.000) 14.570 11.695 ( 4.294 2.675 0.000) 5.059 11.754 ( 3.143 -2.484 0.000) 4.006 11.787 ( -4.337 2.065 0.000) 4.804 11.840 ( -4.108 -3.876 0.000) 5.648 12.354 ( 4.759 6.783 0.000) 8.286 12.469 ( 3.445 -4.199 0.000) 5.431 12.469 ( -6.687 6.328 0.000) 9.207 12.572 ( -6.750 -1.761 0.000) 6.976 12.639 ( 5.902 3.274 0.000) 6.749 12.731 ( -3.213 0.481 0.000) 3.249 12.739 ( 1.975 -7.701 0.000) 7.950 12.776 ( -2.048 -5.144 0.000) 5.537 15.185 ( 0.730 0.308 0.000) 0.792 15.196 ( -0.732 -0.235 0.000) 0.768 15.237 ( -0.728 -5.015 0.000) 5.068 15.244 ( -1.214 -5.119 0.000) 5.261 15.692 ( 1.543 2.314 0.000) 2.781 15.709 ( -0.275 1.675 0.000) 1.697 15.771 ( 1.991 -5.713 0.000) 6.050 15.783 ( 0.843 -5.753 0.000) 5.815 ======================= Grid point 75 (25/72) ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.000 0.000 26.182) 26.182 0.582 ( 0.000 0.000 27.559) 27.559 1.023 ( 0.000 0.000 47.300) 47.300 1.421 ( 0.000 0.000 -11.660) 11.660 1.648 ( 0.000 0.000 -21.300) 21.300 1.921 ( 0.000 0.000 -0.817) 0.817 2.041 ( 0.000 0.000 -3.727) 3.727 2.136 ( 0.000 0.000 5.488) 5.488 2.146 ( 0.000 0.000 -0.796) 0.796 2.223 ( 0.000 0.000 2.052) 2.052 2.326 ( 0.000 0.000 -0.657) 0.657 2.371 ( 0.000 0.000 5.861) 5.861 2.377 ( 0.000 0.000 12.633) 12.633 2.422 ( 0.000 0.000 -5.554) 5.554 2.433 ( 0.000 0.000 4.397) 4.397 2.596 ( 0.000 0.000 -2.031) 2.031 2.608 ( 0.000 0.000 -10.561) 10.561 2.761 ( 0.000 0.000 -8.108) 8.108 2.785 ( 0.000 0.000 -9.493) 9.493 2.833 ( 0.000 0.000 3.819) 3.819 2.971 ( 0.000 0.000 -1.942) 1.942 3.054 ( 0.000 0.000 -26.487) 26.487 3.160 ( 0.000 0.000 11.804) 11.804 3.594 ( 0.000 0.000 12.157) 12.157 3.994 ( 0.000 0.000 10.436) 10.436 4.097 ( 0.000 0.000 -13.164) 13.164 4.144 ( 0.000 0.000 4.531) 4.531 4.454 ( 0.000 0.000 -5.054) 5.054 4.701 ( 0.000 0.000 6.260) 6.260 4.860 ( 0.000 0.000 3.172) 3.172 4.865 ( 0.000 0.000 -7.736) 7.736 5.106 ( 0.000 0.000 -5.535) 5.535 5.193 ( 0.000 0.000 6.287) 6.287 5.339 ( 0.000 0.000 0.193) 0.193 5.536 ( 0.000 0.000 1.303) 1.303 5.549 ( 0.000 0.000 -0.438) 0.438 6.417 ( 0.000 0.000 -1.158) 1.158 6.465 ( 0.000 0.000 -2.473) 2.473 7.103 ( 0.000 0.000 7.180) 7.180 7.158 ( 0.000 0.000 3.197) 3.197 7.406 ( 0.000 0.000 8.750) 8.750 7.612 ( 0.000 0.000 6.412) 6.412 7.911 ( 0.000 0.000 -10.072) 10.072 8.019 ( 0.000 0.000 -3.322) 3.322 8.105 ( 0.000 0.000 -2.006) 2.006 8.436 ( 0.000 0.000 2.052) 2.052 8.499 ( 0.000 0.000 0.328) 0.328 8.523 ( 0.000 0.000 -11.857) 11.857 8.694 ( 0.000 0.000 7.525) 7.525 8.859 ( 0.000 0.000 0.494) 0.494 9.376 ( 0.000 0.000 2.363) 2.363 9.607 ( 0.000 0.000 2.735) 2.735 9.678 ( 0.000 0.000 -7.910) 7.910 9.685 ( 0.000 0.000 -0.738) 0.738 9.734 ( 0.000 0.000 2.990) 2.990 10.111 ( 0.000 0.000 13.352) 13.352 10.140 ( 0.000 0.000 -12.939) 12.939 10.323 ( 0.000 0.000 2.125) 2.125 10.351 ( 0.000 0.000 1.144) 1.144 10.627 ( 0.000 0.000 -6.382) 6.382 10.899 ( 0.000 0.000 10.765) 10.765 11.223 ( 0.000 0.000 -3.650) 3.650 11.241 ( 0.000 0.000 -3.313) 3.313 11.252 ( 0.000 0.000 -4.282) 4.282 11.488 ( 0.000 0.000 4.880) 4.880 11.513 ( 0.000 0.000 3.273) 3.273 11.605 ( 0.000 0.000 -0.907) 0.907 11.642 ( 0.000 0.000 -1.938) 1.938 12.214 ( 0.000 0.000 2.480) 2.480 12.400 ( 0.000 0.000 -4.889) 4.889 12.676 ( 0.000 0.000 2.461) 2.461 12.796 ( 0.000 0.000 -2.272) 2.272 13.583 ( 0.000 0.000 2.806) 2.806 13.678 ( 0.000 0.000 -0.640) 0.640 14.146 ( 0.000 0.000 1.321) 1.321 14.267 ( 0.000 0.000 -3.444) 3.444 15.806 ( 0.000 0.000 0.828) 0.828 15.879 ( 0.000 0.000 -2.113) 2.113 16.040 ( 0.000 0.000 -0.042) 0.042 16.074 ( 0.000 0.000 -1.321) 1.321 16.841 ( 0.000 0.000 -0.220) 0.220 16.986 ( 0.000 0.000 -5.758) 5.758 17.042 ( 0.000 0.000 6.504) 6.504 17.179 ( 0.000 0.000 1.229) 1.229 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 17.005 0.000 18.734) 25.301 0.798 ( 17.746 0.000 19.609) 26.447 1.349 ( 29.987 0.000 34.294) 45.555 1.474 ( 5.009 0.000 -9.660) 10.881 1.703 ( 5.173 0.000 -19.527) 20.201 1.814 ( -10.697 0.000 0.718) 10.721 1.961 ( -6.113 0.000 -2.538) 6.619 2.053 ( -20.386 0.000 2.842) 20.583 2.143 ( 0.583 0.000 3.091) 3.145 2.158 ( -0.794 0.000 -3.895) 3.975 2.239 ( 0.374 0.000 -0.433) 0.572 2.318 ( -0.285 0.000 -1.003) 1.042 2.388 ( -1.589 0.000 -2.729) 3.158 2.503 ( 4.765 0.000 2.549) 5.404 2.522 ( 10.425 0.000 14.580) 17.924 2.623 ( 1.966 0.000 -0.294) 1.987 2.696 ( 0.795 0.000 -7.683) 7.724 2.820 ( 6.892 0.000 -7.416) 10.124 2.834 ( 0.401 0.000 2.689) 2.719 2.912 ( 11.821 0.000 -3.984) 12.474 2.955 ( -1.653 0.000 -1.851) 2.481 3.139 ( 4.733 0.000 -9.992) 11.056 3.179 ( 4.313 0.000 -3.560) 5.592 3.507 ( -6.658 0.000 7.025) 9.678 3.720 ( -19.805 0.000 15.656) 25.246 3.941 ( -11.167 0.000 -12.857) 17.030 4.170 ( -1.880 0.000 -5.004) 5.345 4.281 ( -19.472 0.000 -6.425) 20.505 4.644 ( -6.487 0.000 3.252) 7.256 4.854 ( 4.311 0.000 -0.010) 4.311 4.972 ( 7.975 0.000 1.342) 8.087 5.110 ( -6.895 0.000 5.266) 8.676 5.204 ( 5.770 0.000 -1.055) 5.865 5.329 ( -0.955 0.000 0.199) 0.976 5.625 ( 7.097 0.000 -0.558) 7.119 5.645 ( 7.165 0.000 -0.089) 7.165 6.315 ( -5.211 0.000 1.447) 5.408 6.502 ( 1.506 0.000 -6.637) 6.806 6.841 ( -13.128 0.000 10.163) 16.602 7.166 ( -3.358 0.000 -4.908) 5.947 7.640 ( 2.881 0.000 6.372) 6.993 7.697 ( 17.877 0.000 5.883) 18.821 7.973 ( 4.751 0.000 -4.923) 6.841 7.984 ( -5.069 0.000 4.849) 7.014 8.085 ( 0.426 0.000 -9.905) 9.914 8.291 ( -10.897 0.000 15.131) 18.646 8.394 ( -8.613 0.000 -7.935) 11.711 8.446 ( -0.778 0.000 1.102) 1.349 8.833 ( 9.396 0.000 3.239) 9.939 8.927 ( 5.759 0.000 1.035) 5.851 9.478 ( 9.806 0.000 1.411) 9.907 9.589 ( -1.635 0.000 2.263) 2.792 9.658 ( -2.645 0.000 -0.722) 2.742 9.675 ( -0.240 0.000 -1.257) 1.280 9.765 ( 0.608 0.000 -1.622) 1.733 9.969 ( -7.632 0.000 -0.629) 7.657 10.322 ( 0.012 0.000 2.058) 2.058 10.345 ( -0.543 0.000 1.268) 1.379 10.409 ( 17.642 0.000 -6.680) 18.864 10.771 ( 12.239 0.000 -8.861) 15.110 11.093 ( 10.495 0.000 6.996) 12.613 11.222 ( -0.094 0.000 -3.707) 3.709 11.245 ( -0.671 0.000 -4.182) 4.236 11.381 ( 12.755 0.000 -3.933) 13.348 11.491 ( 0.330 0.000 4.704) 4.715 11.511 ( -0.246 0.000 3.515) 3.523 11.613 ( 0.702 0.000 -1.086) 1.294 11.641 ( -0.071 0.000 -1.876) 1.877 12.073 ( -14.399 0.000 2.844) 14.677 12.118 ( -22.010 0.000 6.937) 23.077 12.599 ( -3.385 0.000 -0.591) 3.437 12.723 ( -5.978 0.000 -3.502) 6.928 13.563 ( 0.722 0.000 3.846) 3.914 13.716 ( -0.744 0.000 -2.835) 2.931 14.166 ( 2.164 0.000 1.031) 2.397 14.266 ( -0.208 0.000 -2.731) 2.739 15.782 ( -0.426 0.000 0.488) 0.648 15.875 ( -0.390 0.000 -2.772) 2.799 16.040 ( -0.271 0.000 0.258) 0.374 16.107 ( 0.961 0.000 -1.210) 1.545 16.838 ( -0.031 0.000 -0.851) 0.851 16.926 ( -3.823 0.000 -2.032) 4.329 17.049 ( 0.723 0.000 4.849) 4.902 17.145 ( -1.610 0.000 2.505) 2.978 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 19.747 0.000 11.076) 22.641 1.184 ( 21.299 0.000 12.103) 24.498 1.480 ( -13.339 0.000 5.607) 14.470 1.603 ( -21.080 0.000 6.616) 22.094 1.665 ( 4.577 0.000 -7.701) 8.959 1.818 ( -8.428 0.000 -5.040) 9.820 1.861 ( 9.660 0.000 -17.121) 19.658 2.004 ( 13.104 0.000 5.045) 14.042 2.104 ( 14.023 0.000 1.434) 14.096 2.169 ( 2.039 0.000 1.112) 2.323 2.214 ( -2.341 0.000 -0.597) 2.416 2.332 ( 1.367 0.000 -1.890) 2.333 2.360 ( -1.410 0.000 -2.606) 2.963 2.590 ( 3.815 0.000 3.427) 5.128 2.638 ( -0.885 0.000 2.645) 2.789 2.679 ( -14.893 0.000 10.089) 17.988 2.773 ( 0.735 0.000 12.535) 12.557 2.788 ( 6.583 0.000 7.727) 10.151 2.859 ( 2.219 0.000 -0.026) 2.219 2.911 ( -2.737 0.000 -1.451) 3.098 3.012 ( -1.073 0.000 4.941) 5.056 3.114 ( -7.804 0.000 5.355) 9.465 3.349 ( 14.489 0.000 -6.983) 16.084 3.532 ( 10.652 0.000 -5.022) 11.776 3.577 ( 7.040 0.000 -14.239) 15.884 3.690 ( -13.751 0.000 -10.246) 17.148 3.883 ( -17.472 0.000 -7.208) 18.901 3.970 ( -17.239 0.000 -18.360) 25.185 4.632 ( 6.550 0.000 13.298) 14.824 4.813 ( -9.607 0.000 7.623) 12.264 5.048 ( 2.671 0.000 -0.942) 2.832 5.079 ( 0.894 0.000 -0.989) 1.333 5.294 ( 2.872 0.000 0.714) 2.959 5.317 ( -0.184 0.000 0.949) 0.967 5.738 ( 3.815 0.000 0.042) 3.816 5.752 ( 2.727 0.000 0.004) 2.727 6.286 ( 2.731 0.000 3.923) 4.780 6.411 ( -8.919 0.000 2.623) 9.297 6.818 ( 8.494 0.000 -2.073) 8.743 7.019 ( -10.393 0.000 -7.232) 12.662 7.723 ( 5.583 0.000 6.290) 8.411 7.851 ( -7.354 0.000 6.263) 9.659 7.944 ( 6.819 0.000 5.901) 9.018 8.022 ( -1.614 0.000 4.564) 4.841 8.134 ( 4.191 0.000 -10.206) 11.033 8.233 ( 6.064 0.000 8.630) 10.548 8.242 ( -6.821 0.000 -8.653) 11.019 8.380 ( -6.262 0.000 1.578) 6.458 8.989 ( 5.663 0.000 2.838) 6.334 9.021 ( 2.446 0.000 2.150) 3.257 9.563 ( -0.242 0.000 0.858) 0.891 9.595 ( -3.170 0.000 -0.418) 3.198 9.657 ( 5.530 0.000 -0.439) 5.548 9.681 ( 0.653 0.000 -0.141) 0.669 9.769 ( 1.602 0.000 -3.010) 3.410 9.849 ( -5.107 0.000 -3.361) 6.114 10.325 ( 0.268 0.000 1.857) 1.876 10.333 ( -0.580 0.000 1.557) 1.662 10.765 ( 18.337 0.000 2.381) 18.491 11.006 ( 1.599 0.000 1.208) 2.004 11.214 ( 11.166 0.000 3.709) 11.766 11.222 ( 0.196 0.000 -3.838) 3.843 11.231 ( -0.656 0.000 -4.000) 4.054 11.499 ( 0.381 0.000 4.351) 4.367 11.505 ( -0.310 0.000 3.957) 3.970 11.538 ( -5.416 0.000 -5.852) 7.974 11.627 ( 0.698 0.000 -1.421) 1.583 11.638 ( -0.341 0.000 -1.699) 1.733 11.743 ( -10.848 0.000 5.069) 11.974 11.792 ( -9.240 0.000 2.913) 9.688 12.568 ( 0.422 0.000 -3.774) 3.798 12.617 ( -4.375 0.000 -4.661) 6.392 13.598 ( 2.656 0.000 1.347) 2.978 13.662 ( -3.654 0.000 -0.947) 3.775 14.215 ( 2.479 0.000 0.195) 2.487 14.253 ( -1.306 0.000 -1.105) 1.710 15.804 ( 2.437 0.000 0.950) 2.615 15.856 ( -2.091 0.000 0.071) 2.092 16.044 ( 1.421 0.000 -1.588) 2.131 16.089 ( -2.378 0.000 -1.634) 2.885 16.850 ( 1.185 0.000 -2.043) 2.362 16.876 ( -1.623 0.000 -2.182) 2.720 17.073 ( 1.800 0.000 3.251) 3.716 17.113 ( -2.017 0.000 2.078) 2.896 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 17.160 19.857) 26.244 0.844 ( 0.000 18.407 21.247) 28.111 1.460 ( 0.000 40.116 27.284) 48.515 1.657 ( 0.000 19.776 -13.452) 23.917 1.700 ( 0.000 5.474 -18.497) 19.290 2.092 ( 0.000 10.993 -0.235) 10.995 2.121 ( 0.000 6.977 0.554) 6.999 2.227 ( 0.000 16.913 -3.445) 17.260 2.313 ( 0.000 14.647 4.955) 15.463 2.348 ( 0.000 6.302 4.207) 7.578 2.386 ( 0.000 6.915 8.112) 10.659 2.409 ( 0.000 5.984 3.310) 6.839 2.483 ( 0.000 13.113 -0.305) 13.117 2.572 ( 0.000 12.693 -5.633) 13.887 2.597 ( 0.000 2.180 -8.984) 9.245 2.608 ( 0.000 15.539 4.970) 16.314 2.767 ( 0.000 12.481 -2.394) 12.708 2.783 ( 0.000 1.792 -3.351) 3.800 2.803 ( 0.000 8.249 -3.894) 9.122 3.029 ( 0.000 16.113 0.157) 16.114 3.130 ( 0.000 10.765 -15.314) 18.719 3.147 ( 0.000 12.145 1.516) 12.240 3.178 ( 0.000 5.503 -4.702) 7.239 3.598 ( 0.000 0.982 11.872) 11.913 3.944 ( 0.000 -2.897 5.087) 5.854 4.076 ( 0.000 -0.604 -2.629) 2.697 4.165 ( 0.000 2.311 3.388) 4.101 4.440 ( 0.000 -1.370 -4.167) 4.387 4.665 ( 0.000 -2.419 7.319) 7.708 4.838 ( 0.000 -2.463 -5.822) 6.321 4.852 ( 0.000 -0.815 1.288) 1.525 5.078 ( 0.000 -2.057 -5.383) 5.763 5.165 ( 0.000 -2.893 5.862) 6.537 5.308 ( 0.000 -2.736 -0.038) 2.736 5.504 ( 0.000 -3.090 1.897) 3.625 5.543 ( 0.000 -0.530 -0.939) 1.078 6.408 ( 0.000 -0.700 -1.093) 1.298 6.429 ( 0.000 -1.875 -1.116) 2.181 7.040 ( 0.000 -4.789 4.324) 6.453 7.084 ( 0.000 -5.312 1.077) 5.420 7.406 ( 0.000 0.445 7.321) 7.334 7.718 ( 0.000 3.425 -6.382) 7.243 7.958 ( 0.000 2.686 -5.800) 6.391 8.074 ( 0.000 -0.041 -9.269) 9.270 8.267 ( 0.000 16.315 4.124) 16.828 8.415 ( 0.000 -0.726 0.307) 0.788 8.482 ( 0.000 1.281 3.106) 3.360 8.664 ( 0.000 11.765 -8.324) 14.412 8.878 ( 0.000 16.494 5.506) 17.388 9.015 ( 0.000 14.284 0.421) 14.291 9.404 ( 0.000 2.177 4.574) 5.065 9.652 ( 0.000 3.850 -1.425) 4.105 9.763 ( 0.000 5.796 0.598) 5.826 9.766 ( 0.000 2.510 3.693) 4.466 9.866 ( 0.000 16.176 -1.403) 16.236 10.119 ( 0.000 -0.937 11.660) 11.698 10.228 ( 0.000 -6.778 -7.065) 9.791 10.254 ( 0.000 -0.836 1.942) 2.114 10.421 ( 0.000 12.822 -12.082) 17.618 10.581 ( 0.000 -6.823 -7.367) 10.041 11.004 ( 0.000 7.022 -2.826) 7.569 11.125 ( 0.000 -11.205 -3.827) 11.840 11.238 ( 0.000 0.533 0.349) 0.637 11.386 ( 0.000 9.206 -2.425) 9.520 11.449 ( 0.000 -2.117 4.451) 4.928 11.485 ( 0.000 -0.319 1.767) 1.796 11.589 ( 0.000 1.452 -1.516) 2.099 11.608 ( 0.000 -2.451 -1.635) 2.946 12.203 ( 0.000 -1.218 2.483) 2.766 12.402 ( 0.000 -0.150 -5.756) 5.758 12.697 ( 0.000 1.875 3.371) 3.857 12.812 ( 0.000 0.580 -1.138) 1.278 13.519 ( 0.000 -6.486 3.507) 7.373 13.698 ( 0.000 0.018 -4.511) 4.511 14.060 ( 0.000 -8.663 1.184) 8.743 14.163 ( 0.000 -10.278 -2.964) 10.697 15.794 ( 0.000 -1.296 -0.777) 1.511 15.835 ( 0.000 -4.471 -1.730) 4.794 15.991 ( 0.000 -4.833 0.328) 4.844 16.010 ( 0.000 -4.859 1.275) 5.023 16.773 ( 0.000 -6.769 -0.482) 6.786 16.868 ( 0.000 -10.136 -2.434) 10.424 16.963 ( 0.000 -7.809 6.154) 9.943 17.069 ( 0.000 -9.332 2.808) 9.746 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 14.110 13.198 15.498) 24.768 1.006 ( 15.480 17.053 16.545) 28.357 1.662 ( 15.891 26.012 10.986) 32.401 1.707 ( 6.466 20.885 -6.739) 22.878 1.761 ( 7.112 10.211 -9.607) 15.721 2.004 ( -11.234 15.347 1.544) 19.081 2.073 ( -15.773 6.346 0.204) 17.002 2.118 ( -1.898 6.337 -1.712) 6.833 2.177 ( -3.159 10.575 -1.774) 11.179 2.301 ( -0.705 14.610 1.534) 14.707 2.409 ( -0.063 15.638 -0.374) 15.642 2.464 ( -0.686 12.872 -2.133) 13.065 2.506 ( 2.664 8.054 1.444) 8.605 2.544 ( 5.736 5.281 9.288) 12.127 2.664 ( 3.777 14.535 2.518) 15.228 2.738 ( 3.468 6.776 -1.543) 7.767 2.776 ( 1.670 12.792 -1.935) 13.044 2.858 ( 4.209 5.286 -0.164) 6.759 2.916 ( 13.153 2.466 -5.817) 14.592 3.020 ( 0.101 14.877 0.777) 14.898 3.129 ( -1.475 16.407 -1.581) 16.549 3.177 ( 3.349 2.450 6.893) 8.045 3.240 ( 5.666 9.609 -22.394) 25.019 3.523 ( -5.358 1.895 6.244) 8.443 3.725 ( -19.273 1.155 14.854) 24.360 3.926 ( -10.397 -1.057 -12.083) 15.975 4.162 ( -5.523 -1.054 -7.234) 9.162 4.261 ( -14.747 0.000 -2.147) 14.902 4.630 ( -5.978 -1.062 3.437) 6.977 4.835 ( 4.358 -1.862 0.256) 4.746 4.951 ( 7.460 -1.894 2.238) 8.016 5.082 ( -7.262 -2.781 6.235) 9.967 5.176 ( 5.954 -2.500 -2.222) 6.829 5.286 ( -1.124 -3.710 0.324) 3.890 5.601 ( 7.397 -3.059 -0.029) 8.004 5.618 ( 5.939 -1.782 -0.380) 6.212 6.316 ( -4.314 0.308 1.701) 4.647 6.493 ( 2.420 -0.574 -5.847) 6.354 6.799 ( -12.004 -2.946 8.962) 15.267 7.102 ( -4.024 -4.565 -3.531) 7.035 7.610 ( 12.708 -2.903 1.909) 13.174 7.770 ( 6.760 2.233 -1.576) 7.291 7.946 ( -1.613 0.409 -4.537) 4.833 8.099 ( 1.588 -0.708 -6.995) 7.208 8.233 ( -2.347 18.294 4.491) 18.983 8.390 ( -4.848 7.026 4.796) 9.791 8.483 ( 1.866 4.811 1.376) 5.340 8.563 ( -7.700 14.157 -4.813) 16.819 8.968 ( 7.619 13.411 3.864) 15.901 9.059 ( 4.493 12.672 1.837) 13.570 9.508 ( 9.410 2.575 2.294) 10.022 9.635 ( -0.863 2.256 -0.424) 2.452 9.724 ( -1.453 5.710 3.053) 6.636 9.782 ( -1.223 5.058 -1.141) 5.327 9.823 ( -3.660 12.244 0.322) 12.783 9.988 ( -7.566 0.905 0.884) 7.671 10.262 ( 1.496 -2.571 2.041) 3.607 10.312 ( 2.986 -3.712 0.949) 4.857 10.522 ( 10.192 7.493 -6.455) 14.202 10.743 ( 14.315 -3.310 -5.725) 15.769 11.047 ( 2.690 -3.274 -2.905) 5.137 11.133 ( 0.542 -9.329 -4.591) 10.411 11.215 ( -2.330 -1.853 2.705) 4.022 11.386 ( 1.577 -1.934 -2.307) 3.398 11.458 ( -0.169 -2.969 1.582) 3.368 11.533 ( 3.510 4.389 2.689) 6.230 11.586 ( -0.913 -0.879 -2.506) 2.808 11.621 ( 1.829 1.246 0.160) 2.219 12.077 ( -12.990 0.050 2.552) 13.238 12.176 ( -19.857 3.881 1.930) 20.325 12.638 ( -2.154 3.339 0.573) 4.015 12.757 ( -4.534 2.398 -2.628) 5.763 13.516 ( 0.635 -5.446 3.622) 6.571 13.686 ( -2.623 -3.523 -3.265) 5.472 14.089 ( 2.722 -7.759 0.570) 8.242 14.169 ( 0.406 -9.732 -2.385) 10.028 15.769 ( -0.771 -1.596 -0.007) 1.772 15.838 ( 0.122 -3.691 -2.665) 4.555 15.994 ( 0.109 -4.244 0.747) 4.310 16.049 ( 1.721 -5.204 -0.020) 5.481 16.768 ( -0.117 -6.883 -1.076) 6.968 16.837 ( -2.339 -8.512 -1.774) 9.004 16.972 ( 0.907 -7.611 4.969) 9.135 17.061 ( -0.696 -8.208 2.188) 8.523 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 18.879 8.300 10.021) 22.929 1.354 ( 18.658 17.153 10.021) 27.254 1.638 ( -17.911 5.343 4.401) 19.202 1.685 ( -14.399 15.852 4.681) 21.921 1.874 ( 5.989 18.542 -8.577) 21.289 1.915 ( 6.280 6.075 -15.218) 17.549 2.014 ( -6.378 15.924 -5.268) 17.945 2.087 ( -7.281 7.181 -11.136) 15.119 2.204 ( 21.431 15.449 11.465) 28.799 2.319 ( 1.891 13.816 -0.088) 13.945 2.394 ( 4.021 16.696 3.715) 17.571 2.478 ( 2.234 13.084 -2.080) 13.435 2.506 ( -0.776 14.144 -0.900) 14.194 2.722 ( 0.902 10.769 5.405) 12.083 2.745 ( 4.094 5.726 11.901) 13.827 2.759 ( 0.770 9.615 4.175) 10.510 2.809 ( -7.861 6.070 9.609) 13.819 2.851 ( 2.264 9.896 6.576) 12.095 3.027 ( 0.347 8.123 2.968) 8.655 3.040 ( -1.358 11.338 0.219) 11.421 3.092 ( -2.037 15.497 -0.032) 15.630 3.167 ( -9.211 7.460 6.376) 13.459 3.369 ( 14.912 2.114 -5.622) 16.076 3.526 ( 6.481 -0.575 -0.959) 6.577 3.602 ( 9.627 3.640 -19.674) 22.203 3.691 ( -12.788 0.210 -9.823) 16.126 3.857 ( -16.446 -2.363 -6.660) 17.900 3.986 ( -17.234 2.540 -18.964) 25.750 4.632 ( 6.587 0.105 13.050) 14.618 4.805 ( -9.018 -0.530 8.077) 12.117 5.014 ( 2.570 -3.362 -0.203) 4.237 5.047 ( 0.665 -3.071 -0.129) 3.145 5.261 ( 2.526 -3.087 0.562) 4.028 5.277 ( 0.151 -3.593 0.873) 3.700 5.712 ( 3.265 -2.691 -0.135) 4.234 5.716 ( 3.039 -3.461 -0.010) 4.606 6.297 ( 2.867 1.374 4.077) 5.170 6.418 ( -8.430 1.054 2.789) 8.941 6.772 ( 7.693 -3.479 -1.772) 8.627 6.957 ( -9.719 -4.435 -5.709) 12.113 7.772 ( 6.171 0.616 -1.599) 6.405 7.883 ( -4.886 -0.178 -1.810) 5.213 7.968 ( 9.765 -2.238 0.750) 10.046 8.087 ( -3.068 1.436 -1.986) 3.927 8.230 ( 2.164 14.041 2.870) 14.494 8.297 ( -4.300 11.781 4.988) 13.497 8.453 ( -2.103 15.983 -0.964) 16.150 8.475 ( -2.561 10.314 0.847) 10.661 9.116 ( 6.091 11.649 3.208) 13.531 9.150 ( 2.878 12.064 2.930) 12.744 9.632 ( 0.951 4.478 0.118) 4.580 9.669 ( 2.129 3.426 -1.261) 4.226 9.713 ( -0.360 6.527 0.831) 6.589 9.723 ( -0.493 8.162 1.730) 8.358 9.782 ( 0.779 1.571 -1.837) 2.539 9.867 ( -5.426 2.077 -2.775) 6.438 10.307 ( 2.436 -1.524 2.077) 3.546 10.335 ( -0.259 -0.216 1.150) 1.198 10.770 ( 14.085 0.130 4.455) 14.773 10.964 ( -0.455 -5.141 6.136) 8.017 11.101 ( 2.550 -9.258 -4.648) 10.669 11.130 ( -1.353 -7.919 -4.615) 9.264 11.234 ( 11.828 0.594 -1.861) 11.989 11.427 ( 1.981 -8.357 -2.197) 8.865 11.443 ( -1.791 -5.287 -2.099) 5.964 11.532 ( -6.344 -3.632 -3.833) 8.254 11.586 ( 2.279 3.878 3.335) 5.600 11.645 ( -1.718 3.798 0.407) 4.188 11.789 ( -11.947 2.659 3.974) 12.868 11.818 ( -11.829 2.427 3.014) 12.446 12.635 ( 1.500 5.488 -2.154) 6.083 12.682 ( -3.100 5.018 -3.172) 6.697 13.546 ( 2.450 -5.782 1.509) 6.458 13.612 ( -4.169 -5.550 -0.873) 6.997 14.142 ( 2.291 -7.484 -0.229) 7.830 14.170 ( -0.568 -8.445 -1.180) 8.546 15.784 ( 2.143 -2.073 0.858) 3.102 15.829 ( -1.649 -2.711 -0.010) 3.173 16.003 ( 1.439 -4.003 -1.161) 4.410 16.044 ( -1.943 -4.451 -1.144) 4.989 16.778 ( 1.005 -7.157 -2.070) 7.518 16.801 ( -1.357 -7.543 -2.154) 7.961 16.999 ( 1.869 -7.348 3.238) 8.245 17.037 ( -1.803 -7.486 1.953) 7.944 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 21.279 11.742) 24.304 1.221 ( 0.000 20.096 13.437) 24.174 1.841 ( 0.000 9.250 -15.482) 18.035 1.978 ( 0.000 11.042 -16.889) 20.178 2.209 ( 0.000 7.815 -0.997) 7.878 2.295 ( 0.000 28.125 13.060) 31.009 2.402 ( 0.000 12.583 6.216) 14.034 2.508 ( 0.000 10.674 -5.094) 11.827 2.512 ( 0.000 10.956 3.918) 11.636 2.530 ( 0.000 22.089 -0.017) 22.089 2.708 ( 0.000 15.228 -0.064) 15.228 2.715 ( 0.000 14.952 -3.605) 15.380 2.726 ( 0.000 20.711 6.238) 21.630 2.794 ( 0.000 6.703 -1.037) 6.783 2.822 ( 0.000 15.484 0.490) 15.492 2.831 ( 0.000 17.286 -2.064) 17.409 2.953 ( 0.000 16.642 4.280) 17.184 3.068 ( 0.000 22.136 -3.354) 22.389 3.167 ( 0.000 20.133 -1.579) 20.195 3.220 ( 0.000 6.620 10.831) 12.694 3.373 ( 0.000 16.726 4.612) 17.350 3.492 ( 0.000 24.096 -23.385) 33.578 3.588 ( 0.000 26.799 -2.991) 26.966 3.666 ( 0.000 7.287 8.704) 11.352 3.915 ( 0.000 0.150 -3.722) 3.725 4.112 ( 0.000 6.087 5.178) 7.992 4.240 ( 0.000 5.183 -2.459) 5.736 4.412 ( 0.000 -0.646 0.706) 0.957 4.615 ( 0.000 -2.745 6.184) 6.766 4.773 ( 0.000 -3.882 -7.677) 8.603 4.849 ( 0.000 1.270 2.975) 3.234 5.035 ( 0.000 -2.137 -4.301) 4.803 5.082 ( 0.000 -5.496 4.860) 7.337 5.237 ( 0.000 -4.374 -1.389) 4.589 5.422 ( 0.000 -5.244 3.296) 6.194 5.525 ( 0.000 -1.525 -1.829) 2.382 6.402 ( 0.000 0.397 -0.573) 0.697 6.412 ( 0.000 0.266 -0.660) 0.712 6.964 ( 0.000 -2.620 0.828) 2.747 6.980 ( 0.000 -4.939 0.095) 4.940 7.431 ( 0.000 2.019 4.734) 5.146 7.739 ( 0.000 -0.710 -9.686) 9.712 7.991 ( 0.000 1.006 -1.532) 1.832 8.002 ( 0.000 -7.262 -2.987) 7.852 8.410 ( 0.000 1.587 -0.469) 1.655 8.420 ( 0.000 1.464 -0.159) 1.473 8.736 ( 0.000 18.320 3.913) 18.733 8.901 ( 0.000 10.708 -4.475) 11.605 9.223 ( 0.000 14.640 2.291) 14.818 9.308 ( 0.000 11.959 -0.304) 11.963 9.438 ( 0.000 2.091 9.720) 9.943 9.735 ( 0.000 5.213 -2.057) 5.605 9.782 ( 0.000 0.893 2.658) 2.804 9.853 ( 0.000 2.240 6.159) 6.554 10.045 ( 0.000 -3.677 7.069) 7.968 10.074 ( 0.000 -6.965 -4.185) 8.125 10.209 ( 0.000 10.910 -5.242) 12.104 10.323 ( 0.000 -15.512 -4.530) 16.160 10.441 ( 0.000 17.888 1.895) 17.988 10.695 ( 0.000 12.319 -3.430) 12.787 10.894 ( 0.000 -5.171 0.404) 5.187 11.035 ( 0.000 2.883 -9.727) 10.145 11.316 ( 0.000 5.885 3.608) 6.903 11.450 ( 0.000 1.649 2.731) 3.190 11.473 ( 0.000 2.314 1.673) 2.855 11.571 ( 0.000 2.174 -2.499) 3.312 11.628 ( 0.000 8.479 -1.843) 8.677 11.681 ( 0.000 6.452 -2.426) 6.893 12.167 ( 0.000 -2.463 2.040) 3.198 12.381 ( 0.000 -2.194 -7.739) 8.044 12.723 ( 0.000 -0.218 4.480) 4.485 12.799 ( 0.000 -2.106 0.542) 2.175 13.338 ( 0.000 -11.614 5.207) 12.728 13.630 ( 0.000 -7.292 -5.873) 9.363 13.825 ( 0.000 -14.768 0.681) 14.783 13.891 ( 0.000 -16.784 -2.060) 16.910 15.708 ( 0.000 -8.368 -0.954) 8.423 15.743 ( 0.000 -4.212 -3.482) 5.465 15.870 ( 0.000 -7.060 1.671) 7.255 15.926 ( 0.000 -3.378 0.877) 3.490 16.594 ( 0.000 -11.027 -0.844) 11.059 16.634 ( 0.000 -13.510 -1.279) 13.571 16.754 ( 0.000 -13.161 5.123) 14.123 16.838 ( 0.000 -14.132 1.803) 14.247 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 9.060 18.643 9.511) 22.806 1.338 ( 12.173 17.328 12.982) 24.839 1.872 ( 2.379 8.898 -15.330) 17.884 2.039 ( 4.397 10.954 -13.834) 18.185 2.149 ( -10.656 6.853 -1.974) 12.822 2.215 ( -2.791 7.854 -3.690) 9.116 2.374 ( -10.309 14.439 3.355) 18.056 2.471 ( 8.245 39.064 10.661) 41.323 2.516 ( 3.031 13.216 3.955) 14.124 2.583 ( 4.730 14.186 8.202) 17.055 2.697 ( -1.698 23.091 -1.253) 23.187 2.730 ( -3.646 13.121 -3.436) 14.045 2.789 ( 0.697 17.495 -3.482) 17.852 2.821 ( 4.703 20.919 2.758) 21.618 2.868 ( 6.190 1.693 3.268) 7.202 2.917 ( 7.569 10.605 -0.534) 13.039 2.992 ( 3.468 14.904 3.983) 15.812 3.076 ( 3.706 17.338 -3.449) 18.062 3.158 ( -0.218 15.333 3.821) 15.804 3.279 ( 4.752 11.921 2.851) 13.146 3.350 ( -1.930 17.585 5.550) 18.541 3.558 ( -2.555 22.951 -2.873) 23.271 3.573 ( 5.772 23.001 -18.600) 30.138 3.609 ( -3.520 10.725 4.022) 11.983 3.798 ( -12.156 5.825 2.694) 13.746 3.948 ( -12.129 6.778 -3.206) 14.260 4.129 ( -13.942 -1.997 -7.879) 16.138 4.326 ( -5.244 7.106 -0.172) 8.833 4.613 ( -4.456 -0.364 1.882) 4.851 4.780 ( 5.763 -3.855 -0.206) 6.937 4.919 ( 5.348 -0.627 3.528) 6.438 5.008 ( -6.970 -4.440 6.837) 10.726 5.118 ( 4.991 -3.227 -2.962) 6.640 5.198 ( -1.763 -5.096 -0.298) 5.400 5.512 ( 6.717 -5.881 0.920) 8.975 5.573 ( 3.963 -3.067 -1.392) 5.201 6.339 ( -2.192 2.254 2.131) 3.799 6.492 ( 4.199 0.616 -4.293) 6.037 6.755 ( -10.794 -1.247 6.215) 12.518 7.022 ( -3.550 -3.494 -4.972) 7.038 7.554 ( 10.066 -2.452 2.207) 10.593 7.765 ( 2.885 -2.035 -7.847) 8.605 7.951 ( -2.263 -1.362 -0.689) 2.730 8.032 ( 1.226 -4.855 -1.447) 5.212 8.455 ( 2.926 4.667 0.235) 5.513 8.488 ( 4.607 2.752 -0.129) 5.368 8.717 ( -0.800 16.414 2.903) 16.687 8.834 ( -4.763 11.456 -3.976) 13.028 9.280 ( 3.564 15.081 3.835) 15.964 9.333 ( 4.669 11.880 2.686) 13.044 9.563 ( 10.529 2.622 5.529) 12.177 9.679 ( -0.917 4.278 -0.388) 4.392 9.820 ( -1.122 2.860 5.001) 5.870 9.832 ( -0.810 2.386 0.658) 2.604 9.998 ( -2.947 1.695 1.065) 3.562 10.097 ( -3.476 3.202 -2.751) 5.469 10.200 ( 2.540 -2.946 -0.018) 3.890 10.269 ( -0.567 -2.663 -1.225) 2.985 10.625 ( 11.936 7.000 -0.513) 13.846 10.755 ( 6.192 8.257 -0.745) 10.348 10.893 ( -0.084 -6.884 -0.601) 6.911 11.041 ( 0.737 1.784 -8.294) 8.516 11.226 ( -6.180 3.582 1.830) 7.374 11.354 ( -5.869 -1.084 -1.241) 6.096 11.467 ( -1.455 3.674 0.129) 3.953 11.598 ( -0.444 2.722 -2.480) 3.708 11.660 ( 2.126 8.507 1.311) 8.866 11.691 ( 1.595 3.825 0.426) 4.166 12.069 ( -10.461 -0.734 2.288) 10.734 12.231 ( -15.019 1.887 -3.404) 15.515 12.695 ( 0.218 1.567 2.033) 2.576 12.779 ( -1.626 -0.755 -0.874) 1.994 13.344 ( 0.534 -11.708 4.313) 12.489 13.553 ( -6.276 -10.429 -3.112) 12.564 13.878 ( 3.686 -13.413 -0.828) 13.934 13.908 ( 1.485 -16.282 -1.756) 16.444 15.701 ( -0.117 -6.123 -0.418) 6.138 15.745 ( 0.645 -4.992 -3.291) 6.014 15.886 ( 0.887 -6.885 1.473) 7.096 15.941 ( 0.698 -4.928 0.823) 5.045 16.585 ( -0.474 -11.335 -1.342) 11.424 16.620 ( -1.234 -13.195 -1.364) 13.323 16.768 ( 1.374 -12.806 4.437) 13.623 16.845 ( 0.370 -13.412 1.390) 13.489 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 13.845 13.729 6.125) 20.437 1.655 ( 17.757 13.080 9.873) 24.164 1.780 ( -13.236 9.411 1.395) 16.300 1.971 ( -4.789 11.934 -4.288) 13.555 2.087 ( -6.872 10.409 -4.955) 13.420 2.147 ( -5.303 6.056 -12.003) 14.453 2.265 ( 8.485 15.709 -9.156) 20.065 2.446 ( -8.248 20.365 -6.305) 22.858 2.629 ( 3.675 23.474 3.300) 23.988 2.686 ( -2.468 20.666 -0.021) 20.813 2.726 ( 6.357 14.214 2.977) 15.853 2.759 ( 10.370 9.047 11.034) 17.639 2.817 ( -1.768 14.633 1.688) 14.835 2.913 ( -0.755 9.075 5.658) 10.721 2.937 ( 10.887 24.893 11.200) 29.388 2.986 ( 0.647 12.735 4.989) 13.693 3.014 ( -1.061 14.709 1.961) 14.877 3.159 ( -1.290 16.598 3.836) 17.085 3.260 ( 4.350 14.399 3.285) 15.397 3.274 ( -3.265 16.634 3.218) 17.254 3.419 ( 10.007 8.392 -1.055) 13.103 3.499 ( -4.092 21.636 -2.706) 22.185 3.528 ( -3.524 7.364 2.800) 8.630 3.549 ( 0.862 19.955 -0.221) 19.975 3.715 ( -10.600 5.892 -8.030) 14.545 3.753 ( -7.341 5.997 -12.417) 15.622 3.848 ( 1.622 8.160 -13.585) 15.930 4.109 ( -15.362 10.991 -17.014) 25.422 4.645 ( 6.777 1.532 11.504) 13.440 4.805 ( -7.845 0.875 8.039) 11.266 4.924 ( 3.086 -5.698 0.512) 6.500 4.974 ( -0.561 -3.920 1.196) 4.136 5.186 ( 1.794 -4.325 0.343) 4.695 5.192 ( 0.616 -4.872 0.397) 4.926 5.619 ( 3.492 -6.414 -0.141) 7.304 5.635 ( 1.653 -5.289 -0.708) 5.586 6.348 ( 3.490 3.996 4.118) 6.716 6.463 ( -7.214 3.721 2.764) 8.575 6.713 ( 6.938 -2.341 -2.117) 7.622 6.885 ( -9.187 -2.811 -5.834) 11.240 7.726 ( 6.664 -4.905 -3.278) 8.900 7.808 ( -1.073 -5.839 -6.594) 8.872 7.948 ( 3.584 -0.839 2.808) 4.629 8.026 ( -2.449 -4.524 0.702) 5.192 8.485 ( 0.975 8.662 0.759) 8.749 8.516 ( -1.481 8.014 0.727) 8.182 8.732 ( 1.740 12.983 0.802) 13.123 8.767 ( -2.126 12.869 -1.190) 13.098 9.375 ( 5.679 12.403 4.859) 14.481 9.427 ( 2.235 14.913 4.442) 15.720 9.690 ( 3.635 2.799 -0.508) 4.616 9.753 ( 1.459 5.401 -0.059) 5.595 9.810 ( 1.353 1.549 4.126) 4.610 9.826 ( 3.389 4.125 -2.167) 5.762 9.914 ( -4.880 7.137 0.111) 8.647 9.985 ( -5.767 8.220 0.170) 10.043 10.261 ( 2.971 -4.661 1.595) 5.753 10.292 ( 0.626 -4.661 1.093) 4.828 10.808 ( 7.157 6.202 3.612) 10.135 10.868 ( 1.938 -0.666 1.842) 2.755 10.906 ( 2.251 -8.692 -3.253) 9.550 10.998 ( -6.190 -3.391 -1.801) 7.284 11.234 ( 6.829 -1.050 -3.017) 7.539 11.287 ( -0.878 -4.013 -3.822) 5.611 11.450 ( 1.968 7.116 -3.783) 8.296 11.552 ( -3.767 4.875 -5.060) 7.972 11.700 ( 0.992 5.235 2.330) 5.815 11.710 ( 0.362 2.951 2.513) 3.893 11.830 ( -9.467 3.017 3.666) 10.590 11.901 ( -15.142 6.115 1.494) 16.398 12.733 ( 2.416 3.679 -0.636) 4.447 12.762 ( -0.596 2.542 -1.389) 2.958 13.363 ( 1.891 -12.793 1.981) 13.083 13.433 ( -5.308 -12.731 -0.466) 13.801 13.930 ( 1.449 -13.916 -1.221) 14.044 13.934 ( 0.851 -15.194 -1.334) 15.276 15.721 ( 1.981 -4.643 0.245) 5.054 15.753 ( -0.579 -4.851 -1.021) 4.991 15.899 ( 1.063 -6.383 0.368) 6.481 15.932 ( -1.596 -6.347 0.133) 6.546 16.585 ( 0.440 -12.087 -1.918) 12.246 16.598 ( -0.866 -12.717 -1.815) 12.875 16.803 ( 2.057 -12.255 2.881) 12.756 16.838 ( -1.244 -12.430 1.484) 12.580 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.000 19.406 6.538) 20.478 1.603 ( 0.000 18.464 6.502) 19.575 2.037 ( 0.000 10.337 -8.451) 13.352 2.159 ( 0.000 8.985 -10.262) 13.639 2.342 ( 0.000 5.585 -7.863) 9.644 2.379 ( 0.000 0.879 4.540) 4.624 2.549 ( 0.000 3.063 -6.038) 6.770 2.651 ( 0.000 4.059 -1.871) 4.470 2.781 ( 0.000 6.171 -3.891) 7.295 2.801 ( 0.000 4.230 2.802) 5.073 2.956 ( 0.000 9.044 10.802) 14.088 3.049 ( 0.000 13.228 3.299) 13.634 3.078 ( 0.000 18.213 0.852) 18.233 3.231 ( 0.000 23.393 1.614) 23.449 3.239 ( 0.000 20.891 2.166) 21.003 3.298 ( 0.000 20.645 0.441) 20.650 3.303 ( 0.000 36.240 3.067) 36.370 3.421 ( 0.000 10.947 8.560) 13.896 3.431 ( 0.000 9.033 -2.631) 9.409 3.523 ( 0.000 23.248 0.659) 23.257 3.634 ( 0.000 9.183 11.362) 14.609 3.835 ( 0.000 6.340 -5.605) 8.462 4.017 ( 0.000 28.147 -15.413) 32.091 4.042 ( 0.000 16.664 1.883) 16.770 4.128 ( 0.000 23.861 -7.215) 24.928 4.299 ( 0.000 3.042 -7.507) 8.100 4.376 ( 0.000 19.823 3.322) 20.099 4.512 ( 0.000 11.099 6.370) 12.797 4.555 ( 0.000 -3.395 4.725) 5.818 4.707 ( 0.000 -1.504 -7.269) 7.423 4.934 ( 0.000 7.127 2.979) 7.724 4.959 ( 0.000 -5.695 2.708) 6.306 5.008 ( 0.000 -0.649 -1.002) 1.194 5.162 ( 0.000 -1.806 -3.664) 4.085 5.311 ( 0.000 -5.562 5.382) 7.739 5.484 ( 0.000 -2.307 -2.376) 3.312 6.434 ( 0.000 3.090 0.352) 3.110 6.446 ( 0.000 3.301 -0.083) 3.302 6.904 ( 0.000 -2.657 0.459) 2.696 6.939 ( 0.000 -0.159 -1.604) 1.612 7.474 ( 0.000 1.862 2.485) 3.105 7.697 ( 0.000 -3.393 -7.782) 8.490 7.803 ( 0.000 -12.668 4.492) 13.441 7.984 ( 0.000 -2.705 -1.667) 3.177 8.460 ( 0.000 4.052 -0.463) 4.079 8.475 ( 0.000 4.114 -0.914) 4.214 9.000 ( 0.000 8.215 -0.370) 8.223 9.032 ( 0.000 2.320 -1.775) 2.921 9.335 ( 0.000 1.482 3.336) 3.650 9.377 ( 0.000 -3.266 1.671) 3.669 9.518 ( 0.000 0.707 7.651) 7.684 9.774 ( 0.000 -6.128 2.472) 6.608 9.781 ( 0.000 -3.777 -1.046) 3.919 9.893 ( 0.000 -0.220 3.712) 3.719 9.972 ( 0.000 -0.150 -0.479) 0.502 9.983 ( 0.000 -4.836 -5.987) 7.696 10.115 ( 0.000 4.746 -2.588) 5.405 10.248 ( 0.000 1.265 -4.496) 4.670 10.848 ( 0.000 22.004 3.215) 22.237 10.930 ( 0.000 10.787 3.667) 11.393 11.100 ( 0.000 19.528 -2.218) 19.654 11.200 ( 0.000 11.647 -5.617) 12.931 11.433 ( 0.000 2.840 3.528) 4.529 11.487 ( 0.000 4.765 3.033) 5.649 11.518 ( 0.000 2.208 1.470) 2.653 11.671 ( 0.000 9.012 3.730) 9.754 11.785 ( 0.000 6.641 -5.081) 8.362 11.808 ( 0.000 6.498 -0.815) 6.549 12.111 ( 0.000 -3.145 0.628) 3.207 12.308 ( 0.000 -6.008 -9.909) 11.588 12.643 ( 0.000 -8.475 4.621) 9.653 12.726 ( 0.000 -5.272 -0.004) 5.272 13.101 ( 0.000 -11.693 7.489) 13.886 13.426 ( 0.000 -12.786 -5.464) 13.904 13.523 ( 0.000 -15.087 -1.091) 15.126 13.548 ( 0.000 -17.434 -1.992) 17.548 15.524 ( 0.000 -10.018 -0.217) 10.020 15.641 ( 0.000 -5.738 -5.500) 7.948 15.733 ( 0.000 -6.729 3.912) 7.784 15.871 ( 0.000 -2.770 -0.621) 2.839 16.354 ( 0.000 -14.905 0.480) 14.913 16.368 ( 0.000 -11.518 -0.701) 11.539 16.470 ( 0.000 -15.451 3.390) 15.818 16.538 ( 0.000 -16.067 0.521) 16.075 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.502 17.871 5.438) 19.474 1.672 ( 7.505 16.452 7.330) 19.512 2.052 ( 0.316 9.043 -9.472) 13.099 2.205 ( 3.648 7.527 -6.931) 10.863 2.278 ( -5.600 6.757 -2.958) 9.261 2.346 ( -1.467 4.998 -10.826) 12.014 2.518 ( -4.062 3.326 4.365) 6.828 2.677 ( 1.287 8.406 4.640) 9.688 2.818 ( 7.507 -0.876 1.049) 7.630 2.886 ( -1.531 8.260 -5.531) 10.057 2.944 ( 0.426 9.864 3.609) 10.512 2.993 ( 1.604 8.792 6.814) 11.239 3.124 ( -0.198 15.100 -1.433) 15.169 3.210 ( -1.324 19.798 2.713) 20.026 3.229 ( 0.073 19.776 -0.433) 19.781 3.269 ( 2.389 19.914 1.509) 20.113 3.348 ( 0.772 25.235 2.015) 25.327 3.414 ( -1.167 13.219 1.927) 13.409 3.443 ( 1.978 17.447 4.882) 18.225 3.538 ( 1.631 19.933 5.355) 20.704 3.666 ( 1.672 10.836 4.901) 12.009 3.820 ( -0.095 12.134 -3.135) 12.533 3.950 ( -8.264 16.844 0.968) 18.787 4.056 ( -2.151 16.554 -12.778) 21.022 4.104 ( -1.787 15.238 -10.612) 18.655 4.129 ( -7.232 21.368 -1.933) 22.641 4.278 ( -9.003 22.837 2.975) 24.727 4.550 ( 1.416 15.411 1.692) 15.568 4.628 ( -3.969 1.817 -3.387) 5.525 4.690 ( 7.978 -4.306 0.476) 9.078 4.921 ( -2.588 -3.054 5.264) 6.613 4.970 ( 1.103 5.737 2.215) 6.248 5.057 ( 3.354 -2.881 -0.554) 4.456 5.114 ( -2.505 -1.612 -0.835) 3.094 5.380 ( 5.209 -7.257 2.088) 9.174 5.499 ( 1.210 -4.116 -2.113) 4.782 6.410 ( 0.103 5.108 2.136) 5.538 6.521 ( 5.330 2.409 -2.291) 6.282 6.755 ( -9.084 1.155 3.694) 9.875 6.967 ( -2.696 -2.083 -5.202) 6.218 7.515 ( 4.128 -1.790 2.074) 4.955 7.692 ( -0.462 -6.158 -5.913) 8.549 7.827 ( 2.355 -8.922 3.420) 9.841 7.976 ( -0.765 -3.070 -1.146) 3.364 8.527 ( 4.276 2.979 -0.424) 5.228 8.541 ( 6.252 3.839 -0.846) 7.385 8.945 ( -4.478 5.964 -0.849) 7.507 8.966 ( -4.305 2.974 -1.680) 5.495 9.421 ( 6.324 -0.877 3.610) 7.335 9.459 ( 6.637 3.729 3.049) 8.201 9.586 ( 9.579 -1.592 7.467) 12.250 9.803 ( 3.956 3.472 2.779) 5.952 9.833 ( -4.598 -1.088 4.259) 6.361 9.894 ( 5.879 -8.273 -1.384) 10.243 9.958 ( -1.486 0.789 -0.938) 1.927 10.017 ( 4.776 -0.330 -4.833) 6.802 10.148 ( 2.272 3.910 -3.529) 5.736 10.227 ( -1.803 1.024 -4.734) 5.168 10.861 ( -7.461 3.266 6.190) 10.230 10.928 ( 6.762 19.249 2.424) 20.546 11.068 ( -3.020 15.815 -4.381) 16.686 11.153 ( -4.739 8.772 -3.481) 10.560 11.333 ( -6.032 4.509 -0.762) 7.569 11.363 ( -7.524 4.726 1.667) 9.040 11.541 ( 0.513 3.065 -0.070) 3.109 11.692 ( -2.944 5.404 -2.370) 6.594 11.765 ( 2.355 5.778 4.150) 7.494 11.850 ( 2.041 10.397 -0.020) 10.596 12.059 ( -6.035 -0.035 1.865) 6.316 12.259 ( -7.677 1.110 -7.043) 10.477 12.655 ( 3.114 -6.671 2.587) 7.804 12.710 ( 0.627 -6.725 -0.080) 6.754 13.096 ( -0.983 -12.472 5.318) 13.594 13.306 ( -8.710 -13.600 -2.514) 16.345 13.566 ( 2.111 -17.433 -2.059) 17.681 13.592 ( 3.098 -15.609 -2.617) 16.128 15.543 ( 1.990 -9.140 -0.286) 9.358 15.647 ( 0.508 -5.444 -4.936) 7.366 15.741 ( 0.840 -7.286 3.716) 8.222 15.860 ( -1.259 -3.858 -0.021) 4.058 16.341 ( -1.093 -14.654 0.377) 14.699 16.352 ( -1.276 -12.309 -1.116) 12.425 16.492 ( 2.190 -15.015 3.217) 15.511 16.562 ( 1.693 -14.983 0.140) 15.079 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 8.760 14.016 3.016) 16.801 1.882 ( 9.471 10.754 7.152) 16.015 1.977 ( -3.717 9.952 -2.227) 10.855 2.183 ( -3.139 9.607 -4.145) 10.923 2.244 ( -6.751 6.240 -6.350) 11.173 2.297 ( -6.608 9.330 -1.378) 11.516 2.463 ( 11.453 5.530 -7.637) 14.835 2.718 ( -12.440 7.128 -5.991) 15.538 2.829 ( 9.041 3.979 9.297) 13.565 2.891 ( 1.464 4.740 3.387) 6.007 2.993 ( -0.353 6.412 4.735) 7.979 3.020 ( 0.899 10.995 4.963) 12.097 3.131 ( -0.942 13.949 1.345) 14.046 3.150 ( -2.551 21.602 1.896) 21.835 3.301 ( 1.255 12.160 -1.625) 12.332 3.339 ( 6.853 13.870 -0.000) 15.471 3.351 ( 0.273 18.285 -2.530) 18.461 3.433 ( 8.481 3.930 -3.879) 10.120 3.528 ( -5.144 12.014 0.943) 13.103 3.550 ( 4.358 18.043 3.518) 18.892 3.673 ( 0.156 13.497 2.743) 13.773 3.765 ( -8.696 20.527 4.959) 22.837 3.808 ( -4.007 14.832 0.087) 15.364 3.873 ( -3.841 18.281 0.865) 18.700 4.057 ( -2.653 26.359 -3.910) 26.779 4.098 ( -6.770 26.361 -0.418) 27.220 4.228 ( 8.965 23.667 -13.520) 28.693 4.417 ( -9.906 18.713 -11.763) 24.221 4.700 ( 6.452 4.222 7.250) 10.584 4.800 ( -0.313 -4.686 3.582) 5.907 4.867 ( 0.515 4.125 2.595) 4.900 4.937 ( -3.790 2.342 1.095) 4.588 5.106 ( 1.478 -2.844 1.026) 3.365 5.111 ( 0.870 -2.383 1.246) 2.827 5.471 ( 3.649 -8.467 -0.056) 9.220 5.511 ( -0.491 -7.128 -1.312) 7.264 6.451 ( 4.147 6.375 3.582) 8.407 6.560 ( -5.936 5.996 2.744) 8.872 6.683 ( 6.618 -0.724 -2.339) 7.057 6.846 ( -8.507 -1.275 -5.462) 10.189 7.606 ( 4.414 -6.801 -0.645) 8.133 7.670 ( -2.079 -8.442 -3.367) 9.323 7.890 ( 3.738 -5.019 1.905) 6.542 7.950 ( -2.153 -4.000 0.253) 4.549 8.591 ( 2.370 2.899 -0.081) 3.745 8.620 ( 0.466 4.124 -0.925) 4.252 8.888 ( -0.139 2.801 -0.903) 2.946 8.913 ( -1.796 3.658 -1.098) 4.220 9.516 ( 5.901 1.358 6.003) 8.526 9.614 ( 0.387 1.342 5.243) 5.425 9.764 ( 3.316 3.976 1.407) 5.365 9.815 ( 9.841 1.724 5.434) 11.373 9.854 ( 0.952 3.907 2.552) 4.763 9.953 ( 2.780 2.498 -0.243) 3.745 9.976 ( 1.209 -5.512 -1.506) 5.841 10.065 ( -8.518 11.267 -1.414) 14.195 10.162 ( 6.236 -1.334 -3.566) 7.307 10.237 ( 0.167 2.019 -2.548) 3.255 10.734 ( -1.114 -7.748 0.122) 7.828 10.870 ( -11.966 -2.743 -3.897) 12.880 11.078 ( 4.751 16.072 0.113) 16.760 11.125 ( 0.238 14.972 -0.222) 14.976 11.240 ( -2.858 1.212 -0.507) 3.146 11.258 ( -3.638 0.413 -0.615) 3.713 11.604 ( 7.199 5.847 -1.672) 9.424 11.673 ( 3.312 6.497 -3.315) 8.010 11.764 ( -4.871 5.917 3.503) 8.427 11.810 ( -7.832 6.813 -0.758) 10.408 11.960 ( -0.102 9.443 4.622) 10.514 12.048 ( -9.846 8.762 -0.182) 13.181 12.750 ( 4.625 -2.781 -0.247) 5.402 12.767 ( 3.131 -2.406 -0.566) 3.990 13.071 ( -0.333 -16.130 2.250) 16.290 13.141 ( -7.274 -16.013 -0.234) 17.589 13.606 ( 1.748 -17.467 -2.037) 17.672 13.624 ( 0.181 -16.741 -2.538) 16.933 15.597 ( 3.152 -7.758 -0.592) 8.394 15.645 ( -1.303 -6.509 -2.465) 7.081 15.768 ( 2.104 -6.494 2.162) 7.161 15.819 ( -2.775 -5.264 0.826) 6.008 16.325 ( -0.299 -14.384 -0.336) 14.391 16.331 ( -0.778 -13.788 -0.950) 13.842 16.543 ( 2.622 -13.831 1.815) 14.194 16.577 ( -0.528 -13.817 0.420) 13.833 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 14.628 2.338) 14.814 1.925 ( 0.000 14.416 1.702) 14.516 2.223 ( 0.000 8.327 -1.677) 8.494 2.329 ( 0.000 7.494 -3.032) 8.084 2.391 ( 0.000 0.378 2.224) 2.256 2.446 ( 0.000 6.007 -11.230) 12.736 2.616 ( 0.000 4.108 -5.368) 6.760 2.661 ( 0.000 -1.712 0.541) 1.795 2.903 ( 0.000 5.029 6.537) 8.247 2.906 ( 0.000 6.951 -2.187) 7.287 3.076 ( 0.000 6.570 1.460) 6.730 3.182 ( 0.000 2.762 6.001) 6.606 3.374 ( 0.000 9.826 6.034) 11.531 3.455 ( 0.000 0.094 1.207) 1.211 3.535 ( 0.000 10.403 -1.881) 10.572 3.578 ( 0.000 5.113 5.734) 7.683 3.628 ( 0.000 13.010 -1.568) 13.104 3.713 ( 0.000 2.408 2.785) 3.682 3.719 ( 0.000 19.869 2.522) 20.028 3.843 ( 0.000 16.574 -3.414) 16.922 3.985 ( 0.000 9.782 -6.700) 11.856 4.138 ( 0.000 34.563 7.076) 35.280 4.192 ( 0.000 -3.464 -9.475) 10.089 4.373 ( 0.000 10.138 4.962) 11.287 4.483 ( 0.000 -0.951 4.681) 4.776 4.531 ( 0.000 15.089 -5.944) 16.217 4.546 ( 0.000 11.031 -5.356) 12.263 4.713 ( 0.000 2.807 -2.309) 3.635 4.792 ( 0.000 20.076 -0.192) 20.077 4.817 ( 0.000 13.916 -0.387) 13.921 4.911 ( 0.000 10.307 -1.191) 10.375 4.986 ( 0.000 -0.678 -0.323) 0.751 5.171 ( 0.000 13.259 3.033) 13.601 5.258 ( 0.000 12.043 -1.858) 12.185 5.279 ( 0.000 7.298 5.595) 9.195 5.476 ( 0.000 3.292 -2.623) 4.209 6.528 ( 0.000 6.461 0.646) 6.493 6.536 ( 0.000 5.573 0.251) 5.578 6.878 ( 0.000 -0.090 0.897) 0.901 6.950 ( 0.000 1.155 -2.774) 3.005 7.470 ( 0.000 -4.849 2.151) 5.305 7.541 ( 0.000 -11.503 8.001) 14.011 7.609 ( 0.000 -5.971 -4.124) 7.257 7.855 ( 0.000 -10.404 -3.259) 10.903 8.568 ( 0.000 4.976 -0.268) 4.983 8.571 ( 0.000 7.196 -0.381) 7.206 9.029 ( 0.000 -0.671 -1.594) 1.730 9.079 ( 0.000 0.529 -4.580) 4.610 9.312 ( 0.000 -1.537 2.327) 2.789 9.363 ( 0.000 -1.610 2.082) 2.632 9.431 ( 0.000 -1.733 8.528) 8.702 9.646 ( 0.000 -5.631 -1.007) 5.720 9.666 ( 0.000 -5.708 -1.471) 5.895 9.762 ( 0.000 -5.944 -1.012) 6.030 9.980 ( 0.000 0.586 0.151) 0.605 10.082 ( 0.000 9.266 -8.860) 12.820 10.322 ( 0.000 12.197 0.970) 12.236 10.409 ( 0.000 13.248 -1.887) 13.381 11.051 ( 0.000 -0.003 10.377) 10.377 11.245 ( 0.000 17.490 3.113) 17.765 11.401 ( 0.000 -3.324 6.794) 7.564 11.409 ( 0.000 8.665 1.031) 8.726 11.410 ( 0.000 9.761 -5.812) 11.360 11.553 ( 0.000 1.122 -0.006) 1.122 11.638 ( 0.000 7.854 -3.295) 8.517 11.871 ( 0.000 1.963 -3.818) 4.293 11.896 ( 0.000 9.192 5.842) 10.892 11.936 ( 0.000 5.958 2.553) 6.482 12.051 ( 0.000 -2.469 -0.860) 2.614 12.107 ( 0.000 -11.981 -9.116) 15.055 12.474 ( 0.000 -5.760 3.415) 6.696 12.613 ( 0.000 -5.321 -1.793) 5.615 12.896 ( 0.000 -9.148 7.927) 12.105 13.159 ( 0.000 -14.463 -3.285) 14.832 13.248 ( 0.000 -12.425 -3.927) 13.031 13.266 ( 0.000 -11.352 -4.392) 12.172 15.335 ( 0.000 -9.109 0.359) 9.116 15.530 ( 0.000 -5.564 -7.959) 9.711 15.609 ( 0.000 -6.065 6.075) 8.585 15.807 ( 0.000 -3.920 -0.802) 4.002 16.060 ( 0.000 -15.266 3.125) 15.582 16.154 ( 0.000 -12.121 -0.687) 12.140 16.178 ( 0.000 -12.320 1.745) 12.443 16.239 ( 0.000 -13.869 -0.528) 13.879 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 3.330 13.997 2.083) 14.538 1.964 ( 4.237 13.259 2.601) 14.161 2.206 ( -2.375 6.627 -4.343) 8.271 2.334 ( 1.509 5.262 -0.337) 5.485 2.386 ( -0.064 3.219 -0.106) 3.222 2.443 ( -0.322 6.112 -12.244) 13.688 2.574 ( -3.260 2.600 2.529) 4.877 2.780 ( 5.381 -0.629 2.331) 5.898 2.851 ( 2.811 7.711 -0.699) 8.237 3.003 ( 3.211 4.297 -4.124) 6.766 3.058 ( -0.112 4.784 1.990) 5.183 3.099 ( -7.058 4.266 9.667) 12.707 3.334 ( -0.338 3.487 -0.673) 3.567 3.431 ( -7.553 6.989 -2.219) 10.527 3.483 ( 1.636 5.996 7.163) 9.483 3.568 ( -1.356 10.984 -1.587) 11.180 3.663 ( -1.021 10.179 0.575) 10.246 3.687 ( -0.323 14.358 2.719) 14.617 3.754 ( 0.305 5.547 1.281) 5.701 3.827 ( -1.541 18.545 -1.443) 18.665 4.042 ( 2.616 7.530 -3.314) 8.633 4.062 ( -3.992 8.186 -3.034) 9.599 4.200 ( 3.148 27.581 4.407) 28.108 4.277 ( -7.773 11.699 4.918) 14.882 4.474 ( 0.010 3.591 -3.146) 4.774 4.544 ( 0.442 7.376 -4.646) 8.728 4.611 ( 3.649 14.135 -3.659) 15.050 4.691 ( -2.911 14.384 -4.081) 15.232 4.807 ( 0.601 14.149 0.633) 14.176 4.851 ( 4.691 5.813 5.049) 9.016 4.911 ( 0.008 11.672 -3.048) 12.064 5.040 ( 4.074 3.673 -1.321) 5.642 5.178 ( 0.514 11.633 2.778) 11.971 5.221 ( -3.047 13.639 0.081) 13.975 5.298 ( 1.692 4.372 3.318) 5.743 5.461 ( -1.630 2.474 -2.357) 3.786 6.533 ( 1.420 7.173 1.302) 7.428 6.584 ( 4.103 3.969 -0.655) 5.746 6.796 ( -6.130 2.908 2.136) 7.113 6.941 ( -2.949 -0.651 -4.007) 5.018 7.465 ( -0.568 -3.853 1.690) 4.246 7.499 ( -1.277 -12.673 4.046) 13.365 7.685 ( 4.973 -6.115 -0.366) 7.891 7.854 ( -0.306 -9.488 -2.589) 9.840 8.587 ( 1.849 3.539 0.604) 4.038 8.644 ( 6.051 6.516 -1.721) 9.057 8.947 ( -5.992 -1.560 -0.418) 6.206 9.041 ( -3.133 3.512 -4.773) 6.704 9.358 ( 4.599 -4.560 4.480) 7.875 9.506 ( 7.978 1.875 3.742) 9.009 9.513 ( 11.012 -4.383 5.345) 13.001 9.707 ( 4.862 -6.146 -0.884) 7.886 9.757 ( 2.351 -2.759 0.542) 3.665 9.786 ( 9.627 -4.708 -1.020) 10.764 9.986 ( 0.491 1.676 -0.450) 1.804 10.111 ( 3.275 8.423 -9.020) 12.768 10.326 ( 0.654 10.660 -0.203) 10.682 10.402 ( -0.701 14.502 -2.122) 14.673 10.863 ( -16.246 -3.415 8.583) 18.689 11.179 ( -18.909 -0.862 -3.926) 19.331 11.261 ( -0.587 10.612 2.165) 10.847 11.334 ( -5.130 1.065 4.686) 7.029 11.409 ( -1.714 10.855 -1.264) 11.062 11.513 ( -5.211 5.686 1.201) 7.805 11.616 ( 0.145 4.812 -2.914) 5.628 11.779 ( -2.309 6.073 -3.964) 7.611 11.935 ( 3.263 6.698 6.259) 9.731 12.029 ( 2.531 6.411 0.356) 6.902 12.074 ( 1.719 1.925 2.803) 3.810 12.252 ( 8.132 -2.618 -7.520) 11.382 12.485 ( 1.292 -6.089 2.566) 6.733 12.539 ( -2.313 -8.958 0.293) 9.256 12.881 ( -2.398 -9.642 5.520) 11.366 13.058 ( -8.329 -11.918 -2.140) 14.697 13.262 ( 1.313 -13.099 -3.850) 13.716 13.300 ( 1.650 -13.762 -4.764) 14.657 15.367 ( 3.053 -8.669 -0.022) 9.191 15.526 ( -0.616 -6.920 -5.322) 8.752 15.617 ( 0.992 -5.674 3.556) 6.769 15.772 ( -3.005 -5.500 -0.577) 6.294 16.055 ( -0.438 -14.450 2.829) 14.731 16.129 ( -2.826 -10.420 0.750) 10.822 16.207 ( 3.906 -13.540 1.045) 14.131 16.284 ( 2.944 -13.061 -1.007) 13.426 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 4.594 11.415 0.973) 12.343 2.079 ( 3.288 9.374 4.031) 10.720 2.148 ( 1.046 7.462 -4.467) 8.759 2.306 ( -7.213 4.078 -3.031) 8.824 2.391 ( 0.898 7.220 -1.095) 7.358 2.458 ( -5.596 6.109 2.945) 8.792 2.535 ( 10.859 3.041 -4.551) 12.160 2.769 ( -10.426 -0.332 0.445) 10.441 2.942 ( 4.818 7.011 -1.250) 8.598 2.965 ( 1.329 3.504 -0.674) 3.808 3.074 ( 0.967 3.283 3.399) 4.824 3.124 ( 1.093 3.701 3.555) 5.247 3.324 ( 1.180 3.141 -1.232) 3.574 3.383 ( 3.744 4.778 -5.552) 8.226 3.488 ( -3.766 8.414 3.799) 9.970 3.546 ( 1.322 8.032 4.468) 9.285 3.582 ( -6.210 3.409 -3.757) 8.019 3.641 ( -4.066 6.755 1.608) 8.046 3.743 ( 0.251 16.235 -0.863) 16.260 3.781 ( -2.822 18.690 -0.863) 18.922 3.988 ( 2.574 12.756 3.760) 13.545 4.102 ( -7.871 13.347 4.847) 16.235 4.204 ( 7.432 11.656 -1.650) 13.921 4.278 ( 1.219 21.068 3.092) 21.329 4.474 ( 0.921 10.292 -5.132) 11.538 4.527 ( -2.813 11.642 -4.620) 12.837 4.627 ( 0.329 9.583 0.083) 9.589 4.656 ( -1.967 20.751 -1.603) 20.906 4.829 ( 2.791 9.211 -0.098) 9.625 4.884 ( -2.009 8.715 -1.250) 9.031 4.977 ( 6.127 11.014 0.540) 12.615 5.075 ( -2.538 8.061 -2.532) 8.822 5.170 ( 0.322 10.820 3.324) 11.324 5.189 ( -0.505 10.863 1.669) 11.002 5.348 ( 3.346 1.279 0.812) 3.673 5.414 ( -3.118 1.029 -1.310) 3.535 6.584 ( 3.786 6.817 2.025) 8.056 6.672 ( -2.922 2.555 1.172) 4.055 6.697 ( 4.023 4.690 -0.554) 6.204 6.833 ( -7.223 -0.023 -3.448) 8.004 7.468 ( 0.860 -7.532 1.483) 7.725 7.485 ( -0.698 -9.961 1.732) 10.135 7.775 ( 4.072 -6.625 -0.118) 7.777 7.834 ( -1.942 -7.978 -1.242) 8.304 8.637 ( 3.352 2.734 0.641) 4.373 8.703 ( -1.968 4.630 -1.967) 5.402 8.899 ( 2.648 0.356 -0.640) 2.748 8.975 ( -3.791 3.679 -3.704) 6.452 9.457 ( 5.408 -5.291 6.598) 10.038 9.551 ( -3.257 -5.189 6.638) 9.033 9.774 ( 11.210 -3.174 -0.841) 11.681 9.814 ( 9.060 -2.211 -0.680) 9.351 9.856 ( 2.114 0.798 0.795) 2.395 9.949 ( 1.968 -2.427 2.852) 4.230 10.035 ( 7.492 7.797 1.503) 10.917 10.174 ( -1.073 8.191 -3.407) 8.936 10.355 ( 2.329 9.223 -4.585) 10.560 10.399 ( 1.303 14.817 -4.177) 15.449 10.581 ( -6.521 -7.474 2.311) 10.185 10.779 ( -19.787 -5.596 -4.395) 21.027 11.173 ( -4.917 -5.233 2.828) 7.717 11.199 ( -7.003 -3.373 2.275) 8.099 11.408 ( 0.993 13.044 -2.012) 13.235 11.434 ( -2.119 11.463 -1.649) 11.774 11.692 ( 7.897 4.351 1.657) 9.168 11.804 ( 1.613 6.971 -1.768) 7.371 11.927 ( -4.401 8.407 2.931) 9.932 11.964 ( -5.050 7.144 0.223) 8.751 12.148 ( 4.098 8.736 4.059) 10.468 12.232 ( -5.218 9.281 0.153) 10.648 12.605 ( 9.971 -10.864 0.738) 14.765 12.649 ( 9.432 -8.988 -0.449) 13.036 12.789 ( -6.610 -11.573 2.456) 13.552 12.869 ( -10.693 -11.260 -0.822) 15.550 13.291 ( 1.457 -14.171 -4.023) 14.803 13.311 ( -0.405 -14.634 -4.537) 15.327 15.437 ( 3.793 -8.214 -0.959) 9.098 15.499 ( -2.303 -8.114 -2.421) 8.775 15.652 ( 2.545 -5.909 1.133) 6.533 15.709 ( -3.252 -6.514 0.104) 7.281 16.052 ( 0.382 -13.131 2.269) 13.331 16.077 ( -2.201 -11.763 1.626) 12.077 16.285 ( 3.351 -12.246 0.181) 12.697 16.318 ( 0.138 -12.350 -0.794) 12.376 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.000 9.519 -0.471) 9.530 2.161 ( 0.000 9.796 -0.956) 9.843 2.346 ( 0.000 3.637 0.246) 3.645 2.403 ( 0.000 1.827 3.097) 3.596 2.429 ( 0.000 3.417 -3.241) 4.710 2.574 ( 0.000 5.016 -4.732) 6.895 2.618 ( 0.000 -1.805 0.573) 1.893 2.701 ( 0.000 4.058 -3.794) 5.556 2.999 ( 0.000 5.852 9.615) 11.256 3.054 ( 0.000 7.990 -1.835) 8.199 3.212 ( 0.000 1.227 6.334) 6.451 3.228 ( 0.000 7.940 -5.055) 9.413 3.434 ( 0.000 -1.168 2.327) 2.603 3.479 ( 0.000 2.869 7.887) 8.392 3.628 ( 0.000 0.697 0.789) 1.052 3.660 ( 0.000 2.334 -3.450) 4.166 3.715 ( 0.000 0.447 0.692) 0.824 3.785 ( 0.000 2.532 -2.163) 3.330 4.012 ( 0.000 8.935 5.346) 10.412 4.029 ( 0.000 -0.042 -8.765) 8.765 4.125 ( 0.000 -2.970 -8.434) 8.942 4.189 ( 0.000 10.545 -1.490) 10.650 4.362 ( 0.000 -3.195 6.540) 7.278 4.527 ( 0.000 4.409 -0.000) 4.409 4.540 ( 0.000 -2.889 -1.558) 3.282 4.619 ( 0.000 -3.571 -0.475) 3.602 4.722 ( 0.000 15.006 3.009) 15.305 4.790 ( 0.000 2.441 0.526) 2.497 4.985 ( 0.000 10.447 1.824) 10.605 5.100 ( 0.000 17.867 -5.223) 18.615 5.212 ( 0.000 18.701 1.198) 18.739 5.296 ( 0.000 20.553 -1.793) 20.631 5.459 ( 0.000 17.038 4.283) 17.569 5.566 ( 0.000 17.134 -0.823) 17.154 5.587 ( 0.000 18.328 0.155) 18.328 5.639 ( 0.000 12.183 -1.866) 12.325 6.639 ( 0.000 4.228 -0.185) 4.232 6.663 ( 0.000 6.131 -0.996) 6.212 6.897 ( 0.000 1.809 1.891) 2.617 6.981 ( 0.000 2.037 -1.987) 2.846 7.236 ( 0.000 -12.468 4.658) 13.310 7.424 ( 0.000 -5.740 5.086) 7.669 7.435 ( 0.000 -12.284 -3.353) 12.733 7.647 ( 0.000 -8.675 -3.251) 9.264 8.666 ( 0.000 5.273 2.131) 5.687 8.725 ( 0.000 7.837 0.200) 7.839 9.027 ( 0.000 -0.269 0.178) 0.322 9.074 ( 0.000 1.123 -4.056) 4.209 9.294 ( 0.000 -3.904 1.106) 4.058 9.336 ( 0.000 3.463 -3.988) 5.282 9.513 ( 0.000 6.735 4.912) 8.336 9.556 ( 0.000 -2.296 0.171) 2.303 9.601 ( 0.000 0.207 -0.130) 0.244 9.713 ( 0.000 0.574 -1.440) 1.550 10.044 ( 0.000 6.484 2.508) 6.952 10.260 ( 0.000 7.405 -11.681) 13.831 10.547 ( 0.000 9.917 3.669) 10.574 10.691 ( 0.000 14.638 -2.261) 14.812 10.942 ( 0.000 -7.846 11.364) 13.810 11.322 ( 0.000 -5.224 10.023) 11.303 11.344 ( 0.000 -15.313 -6.227) 16.530 11.531 ( 0.000 4.348 5.055) 6.667 11.543 ( 0.000 3.973 -4.635) 6.105 11.565 ( 0.000 4.870 0.617) 4.909 11.717 ( 0.000 -7.872 5.647) 9.689 11.767 ( 0.000 5.193 -5.084) 7.267 11.925 ( 0.000 -0.672 -1.641) 1.773 11.942 ( 0.000 -3.963 -3.261) 5.132 12.096 ( 0.000 5.303 4.536) 6.978 12.126 ( 0.000 2.207 1.649) 2.755 12.454 ( 0.000 3.652 1.091) 3.812 12.550 ( 0.000 -1.261 -3.551) 3.769 12.785 ( 0.000 -1.544 2.969) 3.346 12.898 ( 0.000 -10.935 -0.794) 10.964 13.053 ( 0.000 -8.432 -5.068) 9.838 13.057 ( 0.000 -10.581 -5.897) 12.113 15.181 ( 0.000 -6.351 0.573) 6.377 15.424 ( 0.000 -5.243 -9.589) 10.929 15.492 ( 0.000 -5.947 7.230) 9.362 15.716 ( 0.000 -5.506 -0.704) 5.551 15.762 ( 0.000 -14.973 3.144) 15.299 15.890 ( 0.000 -12.693 -2.825) 13.004 16.011 ( 0.000 -6.878 2.252) 7.238 16.015 ( 0.000 -9.009 1.436) 9.123 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 2.473 9.374 -0.678) 9.719 2.182 ( 2.348 9.059 -0.389) 9.366 2.313 ( -3.161 4.388 -1.776) 5.692 2.402 ( 0.389 2.015 -1.321) 2.441 2.428 ( 0.676 2.010 3.191) 3.832 2.555 ( -1.530 4.162 -5.737) 7.251 2.599 ( -1.581 -0.115 2.381) 2.860 2.774 ( 3.428 -0.054 -2.950) 4.523 2.987 ( 0.755 5.397 6.032) 8.129 3.087 ( 2.275 5.830 -2.063) 6.589 3.168 ( -0.771 5.209 4.907) 7.197 3.208 ( -6.409 8.245 -1.143) 10.506 3.362 ( 1.758 1.466 0.375) 2.319 3.529 ( -5.964 1.487 -2.609) 6.677 3.541 ( -0.001 1.987 6.327) 6.632 3.658 ( 0.875 1.267 -2.123) 2.623 3.746 ( -3.301 1.049 -3.132) 4.670 3.840 ( 1.878 2.788 5.282) 6.261 3.902 ( -2.510 4.263 6.773) 8.387 4.094 ( 2.027 2.811 -4.347) 5.559 4.136 ( 2.165 -1.207 -9.156) 9.486 4.176 ( -0.560 11.444 -1.819) 11.601 4.382 ( 1.888 3.223 2.175) 4.322 4.465 ( -3.905 1.310 -2.638) 4.892 4.540 ( -1.725 1.347 1.636) 2.732 4.636 ( -0.318 -0.434 -0.973) 1.112 4.771 ( 5.202 5.242 2.925) 7.943 4.818 ( 2.777 -1.758 0.669) 3.354 4.979 ( 0.129 14.020 2.150) 14.184 5.123 ( 2.192 16.590 -5.167) 17.513 5.187 ( -2.704 18.628 1.950) 18.924 5.299 ( -0.315 17.599 -1.784) 17.692 5.466 ( 0.780 17.990 3.919) 18.429 5.552 ( -1.332 18.562 -0.270) 18.611 5.593 ( 0.768 18.456 -0.496) 18.479 5.636 ( -0.305 13.542 -1.943) 13.684 6.652 ( 1.318 3.774 -0.258) 4.006 6.678 ( 1.396 5.412 -1.258) 5.729 6.859 ( -3.188 3.112 2.035) 4.898 6.939 ( -4.130 0.343 -1.585) 4.437 7.253 ( 1.572 -11.059 4.367) 11.994 7.362 ( -1.995 -6.441 1.806) 6.980 7.537 ( 5.473 -9.884 -0.422) 11.306 7.658 ( 0.808 -8.695 -2.804) 9.171 8.673 ( 1.048 5.443 2.288) 5.997 8.784 ( 5.427 7.190 -1.087) 9.074 8.949 ( -5.778 2.715 0.532) 6.406 9.109 ( 1.620 2.634 -5.671) 6.460 9.300 ( 1.334 -0.617 2.643) 3.024 9.430 ( 9.061 -4.456 -1.527) 10.212 9.538 ( 0.070 1.948 4.725) 5.112 9.619 ( 6.157 -3.138 -0.998) 6.983 9.706 ( 9.409 -0.624 0.246) 9.433 9.792 ( 8.585 4.444 -0.271) 9.670 10.066 ( 2.553 6.564 2.083) 7.345 10.282 ( 2.946 6.481 -11.334) 13.384 10.499 ( -5.118 5.583 4.184) 8.653 10.696 ( -0.464 13.831 -3.421) 14.255 10.777 ( -12.751 -1.700 6.919) 14.607 11.056 ( -19.766 -10.339 -5.110) 22.885 11.264 ( -8.998 -3.468 11.011) 14.637 11.403 ( -11.681 0.942 4.296) 12.481 11.581 ( 2.363 5.071 -3.202) 6.446 11.600 ( -0.482 3.788 -2.227) 4.421 11.682 ( -0.728 1.674 -0.583) 1.916 11.870 ( 6.226 -4.724 1.427) 7.944 11.926 ( 2.162 2.468 -3.641) 4.902 12.011 ( 3.490 -3.902 -0.190) 5.239 12.098 ( 6.880 -3.131 8.477) 11.358 12.301 ( 9.471 6.079 0.796) 11.282 12.435 ( -1.292 1.431 0.413) 1.972 12.489 ( -4.717 1.628 -2.754) 5.699 12.757 ( -3.143 -1.882 2.426) 4.394 12.838 ( -6.029 -9.877 -0.278) 11.575 13.049 ( 0.008 -9.757 -5.658) 11.279 13.063 ( 0.166 -10.660 -5.993) 12.230 15.216 ( 3.257 -6.521 -0.186) 7.291 15.389 ( -2.501 -6.793 -4.278) 8.408 15.503 ( 0.526 -6.377 1.296) 6.528 15.640 ( -5.257 -8.156 -1.197) 9.777 15.788 ( 2.260 -12.193 3.820) 12.976 15.954 ( -2.500 -7.945 0.934) 8.381 15.976 ( 5.222 -9.844 0.740) 11.168 16.068 ( 2.737 -9.032 0.081) 9.438 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 1.865 8.125 -0.380) 8.345 2.242 ( -0.934 7.129 1.035) 7.264 2.269 ( 3.530 5.225 -3.724) 7.323 2.371 ( -4.401 2.798 -2.221) 5.668 2.477 ( 2.912 1.591 2.996) 4.471 2.525 ( -1.956 1.862 0.213) 2.709 2.594 ( 4.314 1.992 0.590) 4.788 2.738 ( -7.198 -2.551 -0.310) 7.643 3.020 ( 1.395 2.481 0.910) 2.988 3.053 ( -2.332 3.585 -3.883) 5.777 3.190 ( 4.582 9.402 0.538) 10.472 3.247 ( 3.093 9.373 2.184) 10.109 3.365 ( 0.277 2.167 -2.162) 3.073 3.451 ( -2.188 2.851 -4.805) 6.000 3.546 ( -0.019 -0.349 7.678) 7.686 3.630 ( -6.960 1.951 -1.284) 7.342 3.663 ( 1.212 3.715 1.578) 4.214 3.729 ( -5.511 1.942 8.481) 10.300 3.993 ( 5.205 6.697 1.871) 8.685 4.078 ( -3.498 9.211 -0.230) 9.855 4.205 ( 4.883 6.013 -2.983) 8.300 4.232 ( 4.255 0.717 -8.034) 9.119 4.364 ( -3.316 10.433 0.841) 10.980 4.389 ( -4.126 0.364 -2.669) 4.928 4.539 ( 2.460 -1.288 0.648) 2.852 4.598 ( -3.003 -0.103 -1.301) 3.274 4.867 ( 3.196 -3.867 1.797) 5.329 4.874 ( 2.113 -5.610 1.030) 6.083 5.013 ( 3.449 18.355 2.758) 18.878 5.102 ( -5.053 19.683 2.561) 20.483 5.187 ( 3.839 14.748 -4.010) 15.758 5.264 ( -3.366 14.078 -2.626) 14.711 5.488 ( 1.458 19.756 2.959) 20.029 5.520 ( -1.758 20.240 1.371) 20.363 5.614 ( 1.085 18.210 -1.477) 18.302 5.629 ( -0.482 16.420 -1.950) 16.543 6.688 ( 2.206 2.929 -0.755) 3.743 6.708 ( 0.989 2.906 -1.873) 3.596 6.806 ( -1.198 4.580 1.972) 5.129 6.846 ( -4.532 1.282 -0.135) 4.712 7.292 ( 2.234 -8.559 3.598) 9.550 7.331 ( -1.688 -6.752 2.555) 7.414 7.625 ( 3.331 -9.064 -1.379) 9.754 7.663 ( -0.624 -8.700 -2.119) 8.976 8.719 ( 3.725 5.845 1.587) 7.111 8.810 ( -5.019 6.593 -0.780) 8.323 8.941 ( 6.904 4.033 -1.165) 8.080 9.071 ( -5.335 6.071 -5.680) 9.878 9.379 ( 5.960 -1.947 6.234) 8.841 9.487 ( -4.601 -0.509 5.849) 7.459 9.657 ( 12.922 -8.238 0.514) 15.333 9.782 ( 8.117 -1.051 -4.547) 9.363 9.832 ( 1.104 -7.280 2.668) 7.831 9.916 ( -0.674 4.097 -1.501) 4.415 10.207 ( 12.966 6.172 1.772) 14.469 10.359 ( -1.164 -6.400 -1.474) 6.670 10.407 ( 2.417 9.448 -2.498) 10.067 10.506 ( -12.154 3.924 -0.500) 12.782 10.694 ( -2.457 13.165 -4.961) 14.281 10.714 ( -11.538 -1.468 -5.540) 12.883 11.080 ( -6.126 -0.855 9.413) 11.264 11.141 ( -11.846 -0.856 4.977) 12.878 11.581 ( -0.465 3.791 -4.124) 5.621 11.587 ( -0.818 4.629 -4.904) 6.793 11.759 ( 7.158 1.361 3.568) 8.113 11.887 ( -4.016 0.119 0.146) 4.021 12.018 ( 3.785 -1.906 3.294) 5.367 12.041 ( 0.017 1.882 2.657) 3.256 12.229 ( 5.953 -1.415 5.384) 8.150 12.341 ( -6.055 1.413 0.161) 6.219 12.479 ( 8.818 -0.524 -0.310) 8.839 12.528 ( 7.396 -0.006 0.026) 7.396 12.653 ( -7.780 -2.698 0.890) 8.283 12.687 ( -8.507 -5.806 0.301) 10.304 13.054 ( 0.428 -10.787 -6.058) 12.379 13.062 ( -0.266 -11.157 -6.221) 12.777 15.287 ( 3.559 -6.970 -1.663) 8.001 15.344 ( -2.364 -7.484 -2.570) 8.259 15.515 ( 1.042 -8.414 -0.663) 8.504 15.555 ( -3.245 -9.228 -1.177) 9.853 15.835 ( 2.591 -8.583 4.478) 10.022 15.892 ( -3.241 -7.112 3.828) 8.703 16.071 ( 3.590 -9.774 -0.676) 10.434 16.103 ( 0.361 -9.706 -0.817) 9.747 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.000 4.843 -1.730) 5.143 2.308 ( 0.000 5.316 -1.760) 5.600 2.367 ( 0.000 0.222 -0.053) 0.228 2.476 ( 0.000 4.437 3.786) 5.833 2.483 ( 0.000 1.764 -4.407) 4.747 2.565 ( 0.000 -1.006 4.208) 4.326 2.649 ( 0.000 1.182 -1.977) 2.303 2.750 ( 0.000 0.515 -2.877) 2.922 3.143 ( 0.000 8.183 8.177) 11.568 3.185 ( 0.000 4.275 -0.359) 4.291 3.267 ( 0.000 4.985 5.088) 7.123 3.331 ( 0.000 1.983 -1.697) 2.610 3.438 ( 0.000 2.190 3.275) 3.940 3.552 ( 0.000 4.749 -1.228) 4.906 3.630 ( 0.000 0.121 -0.013) 0.121 3.659 ( 0.000 -0.958 -2.983) 3.133 3.697 ( 0.000 -2.180 -2.053) 2.995 3.816 ( 0.000 0.542 -3.086) 3.133 3.973 ( 0.000 -2.155 -4.608) 5.087 4.038 ( 0.000 -4.332 5.767) 7.213 4.101 ( 0.000 0.153 -6.047) 6.049 4.144 ( 0.000 -9.456 2.754) 9.849 4.416 ( 0.000 -8.819 0.679) 8.845 4.471 ( 0.000 7.881 0.210) 7.884 4.511 ( 0.000 -5.101 -3.510) 6.192 4.605 ( 0.000 1.581 -2.316) 2.804 4.848 ( 0.000 5.339 4.496) 6.980 4.860 ( 0.000 4.919 2.804) 5.662 5.343 ( 0.000 17.959 0.180) 17.960 5.414 ( 0.000 12.900 -2.074) 13.066 5.524 ( 0.000 12.682 2.440) 12.914 5.617 ( 0.000 11.970 -2.157) 12.162 5.767 ( 0.000 13.340 2.431) 13.560 5.841 ( 0.000 10.475 -1.027) 10.525 5.901 ( 0.000 13.081 -0.362) 13.086 5.908 ( 0.000 13.700 -0.442) 13.707 6.676 ( 0.000 -0.799 -2.076) 2.224 6.695 ( 0.000 -3.475 -3.697) 5.074 6.924 ( 0.000 0.188 2.382) 2.389 6.995 ( 0.000 -2.183 -0.728) 2.301 7.120 ( 0.000 2.192 -0.201) 2.201 7.208 ( 0.000 -8.219 -3.557) 8.955 7.313 ( 0.000 -4.220 8.124) 9.155 7.522 ( 0.000 -5.041 -1.009) 5.141 8.774 ( 0.000 5.626 2.979) 6.366 8.845 ( 0.000 4.098 0.061) 4.099 9.010 ( 0.000 -1.188 1.524) 1.932 9.136 ( 0.000 1.934 -3.913) 4.365 9.220 ( 0.000 -0.660 1.023) 1.217 9.399 ( 0.000 2.418 -8.165) 8.515 9.572 ( 0.000 5.252 1.258) 5.401 9.677 ( 0.000 8.316 4.208) 9.320 9.694 ( 0.000 7.292 -1.166) 7.384 9.767 ( 0.000 5.451 1.324) 5.610 10.213 ( 0.000 9.490 3.011) 9.956 10.285 ( 0.000 -6.335 -4.096) 7.544 10.641 ( 0.000 1.151 2.836) 3.061 10.881 ( 0.000 -14.466 -7.294) 16.201 10.940 ( 0.000 8.334 3.241) 8.942 10.982 ( 0.000 2.260 0.204) 2.269 11.199 ( 0.000 -6.803 11.183) 13.090 11.478 ( 0.000 -6.466 -3.836) 7.518 11.601 ( 0.000 3.252 7.814) 8.464 11.614 ( 0.000 -4.165 3.134) 5.213 11.726 ( 0.000 6.206 1.560) 6.399 11.825 ( 0.000 -2.458 -3.750) 4.484 11.853 ( 0.000 -1.705 -2.457) 2.990 11.874 ( 0.000 -3.755 7.311) 8.219 12.147 ( 0.000 2.177 -5.370) 5.794 12.194 ( 0.000 5.073 -2.618) 5.709 12.522 ( 0.000 -2.813 -4.200) 5.055 12.552 ( 0.000 4.920 -0.289) 4.929 12.774 ( 0.000 -1.546 3.975) 4.265 12.789 ( 0.000 -2.016 -1.353) 2.427 12.864 ( 0.000 -6.648 -3.184) 7.371 12.904 ( 0.000 -6.906 -4.814) 8.418 15.099 ( 0.000 -1.840 0.081) 1.842 15.331 ( 0.000 -4.213 -8.620) 9.594 15.381 ( 0.000 -5.214 6.427) 8.276 15.481 ( 0.000 -13.092 1.634) 13.193 15.613 ( 0.000 -4.897 -1.406) 5.095 15.680 ( 0.000 -8.639 -5.090) 10.027 15.883 ( 0.000 -4.813 4.177) 6.373 15.898 ( 0.000 -4.718 3.731) 6.015 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 2.410 4.427 -2.102) 5.461 2.318 ( 0.833 5.089 -1.485) 5.366 2.369 ( -0.244 1.254 -0.774) 1.494 2.448 ( -0.716 3.040 -0.396) 3.149 2.475 ( -1.833 2.774 0.934) 3.454 2.559 ( -0.448 -1.436 4.329) 4.583 2.618 ( -2.181 0.693 -2.830) 3.639 2.755 ( -1.380 -2.131 -3.247) 4.122 3.084 ( -1.884 5.234 7.273) 9.157 3.208 ( -2.614 4.990 0.041) 5.633 3.271 ( 2.861 6.241 3.821) 7.857 3.389 ( 1.535 7.035 -4.146) 8.309 3.413 ( 2.212 4.673 2.576) 5.776 3.490 ( -3.217 -2.300 3.190) 5.081 3.615 ( -1.892 4.439 -2.847) 5.603 3.655 ( 1.814 -1.322 0.718) 2.356 3.755 ( -1.227 0.156 -2.941) 3.190 3.847 ( -6.561 -2.293 6.228) 9.332 3.912 ( 5.539 -1.641 0.287) 5.784 4.021 ( 3.092 -3.317 -6.069) 7.576 4.126 ( 2.560 -0.609 -4.212) 4.967 4.221 ( 1.141 -7.547 -3.706) 8.485 4.444 ( 2.737 -3.197 1.841) 4.593 4.480 ( -0.154 -0.850 -1.024) 1.339 4.525 ( 3.398 0.240 -0.140) 3.409 4.597 ( -1.612 0.255 -3.702) 4.045 4.809 ( -3.361 3.906 4.970) 7.159 4.822 ( -3.518 3.412 3.849) 6.231 5.347 ( 0.629 17.181 0.441) 17.199 5.424 ( 1.021 12.454 -2.257) 12.698 5.497 ( -2.544 12.548 2.194) 12.990 5.585 ( -2.899 10.949 -1.361) 11.408 5.791 ( 2.230 14.113 2.000) 14.427 5.867 ( 1.835 12.318 -0.909) 12.487 5.901 ( 0.275 13.084 -0.672) 13.104 5.919 ( 0.873 13.550 -0.651) 13.594 6.692 ( 1.555 0.092 -1.874) 2.437 6.717 ( 1.999 -2.097 -3.682) 4.685 6.903 ( -2.060 1.668 1.257) 2.934 6.930 ( -4.507 -1.895 0.126) 4.891 7.142 ( 1.988 0.422 1.147) 2.334 7.249 ( 0.712 -4.104 0.408) 4.185 7.344 ( 4.292 -8.237 3.174) 9.815 7.518 ( -0.413 -6.323 -1.110) 6.433 8.797 ( 2.250 7.079 3.179) 8.079 8.899 ( 5.488 4.575 0.385) 7.155 9.056 ( -0.394 6.309 0.071) 6.321 9.124 ( 3.507 0.309 -2.867) 4.540 9.266 ( 5.959 -5.279 1.015) 8.025 9.392 ( -2.024 2.190 -7.368) 7.948 9.601 ( 1.254 4.575 0.477) 4.768 9.637 ( -0.334 5.657 1.882) 5.972 9.744 ( 2.808 3.498 5.027) 6.738 9.884 ( 9.744 3.700 -0.111) 10.423 10.209 ( -1.544 5.816 1.288) 6.154 10.247 ( -3.051 -8.836 -3.378) 9.940 10.545 ( -7.410 -0.530 2.138) 7.730 10.759 ( -7.835 -2.523 -4.727) 9.492 10.936 ( -4.487 5.347 -1.135) 7.072 10.966 ( -0.405 10.151 -1.219) 10.232 11.172 ( -2.322 -5.556 13.132) 14.447 11.386 ( -10.407 -2.728 1.483) 10.860 11.597 ( 1.637 -0.775 -3.418) 3.868 11.636 ( 0.105 -2.917 3.505) 4.561 11.673 ( -3.023 -0.207 -2.528) 3.946 11.821 ( 2.522 -0.129 2.392) 3.479 11.874 ( 1.258 -3.910 0.311) 4.120 11.972 ( 2.876 -5.330 8.818) 10.697 12.081 ( 4.350 5.603 -6.270) 9.468 12.384 ( 9.545 1.245 -3.192) 10.142 12.478 ( -3.207 0.430 -1.165) 3.439 12.533 ( -1.989 4.320 -0.630) 4.797 12.715 ( -5.369 -2.478 3.271) 6.758 12.772 ( -2.000 -0.075 -0.296) 2.023 12.862 ( -0.290 -7.203 -4.123) 8.305 12.890 ( -1.079 -7.635 -5.165) 9.281 15.123 ( 2.340 -2.720 -0.908) 3.702 15.271 ( -3.657 -5.162 -3.487) 7.224 15.370 ( -1.590 -6.803 -0.239) 6.990 15.449 ( -4.493 -10.668 -0.659) 11.594 15.625 ( 4.633 -4.430 1.450) 6.573 15.780 ( 5.440 -8.362 -3.487) 10.568 15.859 ( -0.945 -3.755 5.489) 6.718 15.925 ( 1.498 -5.837 2.232) 6.427 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 0.421 4.948 -1.093) 5.085 2.340 ( -0.145 3.315 -2.373) 4.080 2.366 ( 2.297 4.155 -1.620) 5.016 2.423 ( -2.730 2.765 -1.977) 4.360 2.485 ( 3.211 -0.069 1.995) 3.781 2.539 ( -2.095 -0.275 2.038) 2.935 2.599 ( 1.485 -1.239 0.154) 1.940 2.678 ( -5.527 -3.394 -1.428) 6.642 3.082 ( 1.170 4.280 3.782) 5.831 3.127 ( -3.652 4.568 0.579) 5.877 3.376 ( 5.461 7.971 -0.895) 9.704 3.414 ( 0.376 1.873 0.648) 2.017 3.466 ( 3.644 11.161 -0.811) 11.769 3.472 ( 2.199 -2.891 4.316) 5.641 3.549 ( -4.781 5.078 1.814) 7.207 3.621 ( -8.962 -0.893 3.074) 9.517 3.716 ( 3.420 0.758 0.449) 3.531 3.766 ( -2.276 1.762 1.469) 3.231 4.038 ( 4.964 0.385 2.277) 5.475 4.079 ( 0.973 -3.127 -6.547) 7.320 4.187 ( 2.525 -3.882 -4.031) 6.140 4.217 ( -0.270 -7.312 -8.559) 11.261 4.423 ( 0.754 -0.626 -3.123) 3.273 4.514 ( -6.190 -1.418 -4.544) 7.809 4.577 ( 4.365 4.150 2.470) 6.510 4.591 ( 2.655 3.319 2.281) 4.824 4.749 ( -2.261 -1.736 5.146) 5.882 4.756 ( -2.474 -2.501 4.487) 5.702 5.374 ( 2.223 15.324 1.108) 15.524 5.429 ( -2.817 13.134 1.385) 13.504 5.463 ( 1.834 11.624 -1.590) 11.875 5.520 ( -3.461 10.536 -1.158) 11.150 5.838 ( 2.347 15.067 1.341) 15.308 5.873 ( -1.088 15.039 0.558) 15.089 5.923 ( 1.347 12.544 -1.599) 12.717 5.933 ( 0.305 13.284 -1.272) 13.348 6.730 ( 2.125 1.732 -1.847) 3.306 6.752 ( 0.711 1.255 -3.375) 3.671 6.853 ( -1.477 0.094 0.886) 1.725 6.869 ( -2.183 0.889 0.133) 2.361 7.185 ( 2.297 -1.863 2.937) 4.168 7.228 ( -1.994 -3.248 3.595) 5.239 7.440 ( 4.345 -9.213 -1.123) 10.248 7.499 ( -1.820 -8.325 -1.347) 8.627 8.863 ( 4.599 8.797 2.205) 10.168 8.966 ( -5.577 9.278 0.954) 10.867 9.045 ( 8.676 6.296 -2.554) 11.020 9.201 ( -4.772 6.715 -6.637) 10.579 9.371 ( 8.474 0.073 4.604) 9.644 9.473 ( 10.914 -9.078 2.379) 14.394 9.539 ( -5.389 4.009 3.695) 7.666 9.690 ( -5.942 -6.607 5.667) 10.539 9.756 ( 7.026 -0.961 -4.343) 8.316 9.970 ( -8.303 -0.727 -4.359) 9.406 10.165 ( 2.785 -7.200 -0.342) 7.727 10.212 ( -0.947 -8.648 -1.662) 8.857 10.501 ( 5.395 6.814 3.132) 9.238 10.669 ( -5.759 0.020 -2.356) 6.222 10.805 ( -1.436 18.439 -2.607) 18.678 10.928 ( -6.317 11.890 -5.845) 14.678 11.129 ( -1.095 1.183 10.945) 11.063 11.179 ( -7.304 1.819 6.909) 10.217 11.591 ( -0.677 -1.061 -7.782) 7.883 11.603 ( -1.306 -2.257 -9.318) 9.676 11.721 ( 4.991 -4.105 5.525) 8.502 11.824 ( -4.916 -5.055 3.285) 7.779 11.930 ( 6.591 -4.539 5.429) 9.670 12.008 ( -0.524 -4.407 4.983) 6.673 12.223 ( 7.783 2.499 -0.417) 8.185 12.359 ( -6.213 1.137 -1.814) 6.571 12.510 ( 0.970 1.697 -0.022) 1.955 12.570 ( 3.048 1.948 -1.106) 3.782 12.601 ( -1.559 0.167 3.824) 4.133 12.707 ( -4.863 2.305 0.349) 5.393 12.859 ( 0.268 -8.521 -5.582) 10.190 12.871 ( -0.858 -8.366 -5.484) 10.040 15.176 ( 2.676 -4.153 -2.520) 5.546 15.218 ( -1.952 -5.096 -2.946) 6.201 15.342 ( -0.588 -8.516 -1.425) 8.654 15.367 ( -3.192 -9.417 -1.851) 10.113 15.723 ( 4.566 -3.119 3.983) 6.814 15.793 ( -2.570 -3.232 3.660) 5.518 15.902 ( 3.430 -7.563 0.137) 8.305 15.939 ( -0.379 -7.127 0.523) 7.157 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.000 1.604 -1.842) 2.442 2.348 ( 0.000 -0.258 -1.905) 1.922 2.407 ( 0.000 3.288 0.703) 3.362 2.466 ( 0.000 -2.584 -0.448) 2.623 2.554 ( 0.000 3.215 1.706) 3.639 2.585 ( 0.000 0.716 -0.062) 0.719 2.665 ( 0.000 1.816 0.729) 1.957 2.723 ( 0.000 -2.903 -1.441) 3.241 3.241 ( 0.000 2.124 1.491) 2.595 3.257 ( 0.000 1.822 4.117) 4.502 3.349 ( 0.000 2.285 3.846) 4.474 3.350 ( 0.000 1.337 3.208) 3.476 3.525 ( 0.000 5.452 3.375) 6.412 3.584 ( 0.000 -1.007 -3.537) 3.678 3.634 ( 0.000 0.007 -1.225) 1.225 3.648 ( 0.000 -2.153 -4.186) 4.707 3.705 ( 0.000 4.774 -4.184) 6.348 3.781 ( 0.000 -3.132 -5.603) 6.419 3.931 ( 0.000 -4.188 4.901) 6.446 3.961 ( 0.000 -6.631 3.012) 7.283 4.027 ( 0.000 5.634 -0.323) 5.644 4.129 ( 0.000 0.070 -4.727) 4.727 4.257 ( 0.000 -3.770 1.054) 3.914 4.349 ( 0.000 -8.482 -3.628) 9.226 4.603 ( 0.000 3.939 0.152) 3.942 4.635 ( 0.000 0.442 -1.116) 1.200 4.935 ( 0.000 2.656 3.261) 4.206 4.938 ( 0.000 2.302 2.887) 3.692 5.578 ( 0.000 5.668 -0.884) 5.736 5.584 ( 0.000 4.450 -0.193) 4.454 5.708 ( 0.000 6.464 1.663) 6.675 5.756 ( 0.000 2.178 -1.252) 2.512 5.953 ( 0.000 5.478 1.827) 5.775 5.976 ( 0.000 3.071 0.814) 3.177 6.089 ( 0.000 5.397 -0.803) 5.456 6.094 ( 0.000 4.922 -0.746) 4.978 6.612 ( 0.000 -2.667 -6.231) 6.778 6.623 ( 0.000 -3.161 -5.702) 6.520 6.920 ( 0.000 0.502 0.040) 0.503 6.949 ( 0.000 -2.155 -1.084) 2.412 7.138 ( 0.000 -0.465 3.894) 3.922 7.149 ( 0.000 -0.836 6.005) 6.063 7.326 ( 0.000 4.975 1.036) 5.081 7.429 ( 0.000 -4.918 -1.213) 5.065 8.871 ( 0.000 3.598 -0.095) 3.599 8.892 ( 0.000 0.976 -1.386) 1.695 9.000 ( 0.000 0.918 3.381) 3.503 9.066 ( 0.000 -5.083 2.229) 5.550 9.326 ( 0.000 6.818 -2.990) 7.445 9.414 ( 0.000 -1.617 -5.922) 6.139 9.715 ( 0.000 6.974 -0.872) 7.028 9.771 ( 0.000 0.822 -2.425) 2.560 9.829 ( 0.000 7.882 3.960) 8.821 9.933 ( 0.000 5.547 -1.214) 5.679 10.119 ( 0.000 -3.788 5.314) 6.526 10.282 ( 0.000 -8.222 -0.739) 8.255 10.600 ( 0.000 -1.909 3.840) 4.289 10.650 ( 0.000 -1.532 3.134) 3.489 11.092 ( 0.000 1.520 2.847) 3.228 11.098 ( 0.000 -2.136 9.225) 9.469 11.138 ( 0.000 10.081 -4.160) 10.906 11.319 ( 0.000 -8.765 -5.723) 10.468 11.570 ( 0.000 1.109 -0.119) 1.116 11.638 ( 0.000 -2.106 3.674) 4.235 11.730 ( 0.000 -1.127 1.327) 1.741 11.776 ( 0.000 -2.597 7.523) 7.959 11.837 ( 0.000 1.589 2.219) 2.729 11.861 ( 0.000 -0.237 -0.129) 0.270 12.224 ( 0.000 5.163 -9.226) 10.572 12.284 ( 0.000 1.809 -12.106) 12.240 12.467 ( 0.000 0.154 1.094) 1.105 12.572 ( 0.000 -6.371 -4.942) 8.063 12.700 ( 0.000 1.575 1.434) 2.129 12.782 ( 0.000 -4.629 -1.798) 4.966 12.800 ( 0.000 1.760 3.206) 3.657 12.837 ( 0.000 -0.925 1.398) 1.676 15.118 ( 0.000 3.872 -0.828) 3.960 15.241 ( 0.000 -7.524 -2.717) 8.000 15.294 ( 0.000 -2.983 -1.403) 3.296 15.301 ( 0.000 -2.642 2.444) 3.599 15.546 ( 0.000 -1.622 -2.744) 3.188 15.561 ( 0.000 -3.401 -4.715) 5.814 15.823 ( 0.000 -1.313 5.169) 5.333 15.831 ( 0.000 -2.023 4.834) 5.240 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 1.699 1.370 -1.865) 2.871 2.363 ( 1.490 -0.097 -1.883) 2.403 2.409 ( 0.269 3.179 0.337) 3.208 2.463 ( -0.254 -1.982 -0.431) 2.044 2.528 ( -2.080 2.742 1.064) 3.602 2.563 ( -1.741 0.120 0.147) 1.751 2.627 ( -3.308 2.022 -0.079) 3.878 2.695 ( -3.202 -3.769 -1.913) 5.302 3.189 ( -2.161 5.135 5.095) 7.549 3.257 ( -1.213 -0.664 3.150) 3.440 3.384 ( 4.074 3.424 4.156) 6.752 3.424 ( 0.898 -1.193 4.414) 4.659 3.450 ( -2.056 3.658 1.688) 4.523 3.538 ( -1.866 -1.456 0.146) 2.371 3.648 ( 1.425 3.657 -1.833) 4.332 3.699 ( 2.271 1.672 -1.750) 3.319 3.769 ( 1.244 0.539 -4.004) 4.227 3.812 ( -4.382 2.334 0.027) 4.965 3.821 ( 5.476 -3.923 -6.955) 9.682 3.998 ( 1.762 -9.744 -2.198) 10.143 4.091 ( 3.456 5.536 0.075) 6.527 4.179 ( 1.538 4.781 -2.813) 5.757 4.270 ( 2.518 -9.156 1.527) 9.618 4.345 ( -0.352 -9.007 -2.234) 9.287 4.612 ( 1.298 3.419 0.263) 3.667 4.632 ( 0.090 1.119 -1.079) 1.557 4.885 ( -4.774 2.533 3.711) 6.556 4.888 ( -4.766 2.147 3.558) 6.323 5.575 ( -0.134 5.784 -0.830) 5.845 5.586 ( 0.309 4.118 -0.530) 4.164 5.675 ( -2.854 5.838 1.619) 6.697 5.714 ( -3.406 2.197 -0.503) 4.084 5.991 ( 3.234 6.089 1.249) 7.007 6.019 ( 3.469 3.253 0.214) 4.760 6.092 ( 0.228 5.614 -0.616) 5.652 6.102 ( 0.604 4.706 -0.665) 4.791 6.654 ( 4.059 -2.023 -5.413) 7.062 6.662 ( 3.835 -2.363 -5.151) 6.843 6.911 ( -1.669 0.631 0.118) 1.788 6.924 ( -1.745 0.042 0.055) 1.746 7.160 ( 1.412 0.250 5.000) 5.201 7.191 ( 4.039 -3.161 2.238) 5.596 7.296 ( -2.553 4.045 1.290) 4.954 7.401 ( -2.541 -5.814 -1.088) 6.437 8.939 ( 5.672 7.033 1.760) 9.205 8.973 ( 7.969 3.017 -0.198) 8.523 9.058 ( 7.010 -2.256 1.126) 7.450 9.109 ( 4.651 -6.573 0.977) 8.111 9.279 ( -3.978 8.353 -2.105) 9.488 9.407 ( -1.953 -2.980 -6.559) 7.465 9.723 ( -0.365 6.303 0.673) 6.350 9.773 ( 0.782 5.675 -0.556) 5.755 9.824 ( -4.243 4.952 4.747) 8.066 9.933 ( 1.714 2.406 -0.254) 2.965 10.048 ( -4.678 -8.426 1.910) 9.825 10.152 ( -11.968 -10.711 -1.677) 16.149 10.601 ( 2.899 8.294 5.024) 10.122 10.736 ( 5.045 -2.494 0.104) 5.629 11.024 ( -4.363 0.406 8.153) 9.256 11.103 ( -1.494 -1.851 3.349) 4.108 11.152 ( 0.734 9.355 -1.779) 9.551 11.305 ( -1.322 -4.204 -7.844) 8.998 11.524 ( -3.586 -2.846 -2.154) 5.059 11.572 ( -5.098 -4.760 0.229) 6.978 11.715 ( 0.133 4.519 3.884) 5.960 11.802 ( 1.645 -3.705 6.819) 7.933 11.846 ( -0.583 2.268 1.138) 2.603 11.899 ( 2.501 -2.712 3.285) 4.940 12.211 ( 2.087 7.227 -8.345) 11.235 12.337 ( 2.350 -5.023 -9.284) 10.814 12.512 ( 4.844 3.341 0.648) 5.920 12.607 ( 2.251 -2.559 -4.090) 5.324 12.637 ( -5.474 0.148 1.679) 5.728 12.721 ( -4.906 -4.136 -0.168) 6.418 12.796 ( -0.800 0.165 1.507) 1.714 12.823 ( -1.840 -0.981 0.754) 2.218 15.118 ( 0.289 2.227 -1.866) 2.920 15.189 ( -3.027 -3.816 -2.711) 5.574 15.264 ( -2.706 -3.251 -1.538) 4.501 15.279 ( -2.910 -5.282 -0.329) 6.040 15.592 ( 5.450 0.701 -0.823) 5.556 15.648 ( 5.993 -4.974 -2.468) 8.170 15.816 ( -0.601 -0.526 5.147) 5.209 15.839 ( 0.310 -2.865 3.979) 4.913 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 1.712 1.733 -1.851) 3.059 2.404 ( 2.383 0.592 -2.443) 3.463 2.410 ( -0.331 2.585 -1.036) 2.805 2.454 ( -1.621 -0.972 -2.543) 3.169 2.502 ( 0.824 2.393 1.475) 2.929 2.544 ( -0.816 0.486 1.352) 1.652 2.562 ( -1.811 -1.089 -0.332) 2.139 2.610 ( -4.620 -3.471 -1.171) 5.896 3.186 ( 1.697 6.043 5.627) 8.430 3.232 ( -1.793 5.250 4.520) 7.156 3.338 ( -1.412 -5.150 7.281) 9.029 3.391 ( -5.132 -6.354 6.175) 10.239 3.519 ( 6.542 6.225 0.657) 9.055 3.586 ( 2.153 3.406 -3.077) 5.070 3.657 ( 0.509 -1.809 1.018) 2.137 3.715 ( -3.462 -0.703 -1.265) 3.753 3.756 ( 1.958 9.449 -2.718) 10.026 3.777 ( -0.176 8.903 -2.891) 9.363 3.955 ( 5.382 -8.824 -6.701) 12.318 4.015 ( -0.644 -11.846 -6.613) 13.583 4.144 ( 1.826 6.627 -0.903) 6.933 4.168 ( -1.234 5.822 -0.922) 6.022 4.305 ( 1.506 -8.943 -2.596) 9.433 4.345 ( -1.023 -10.522 -2.461) 10.854 4.664 ( 3.840 2.685 1.658) 4.970 4.667 ( 4.289 2.373 1.999) 5.294 4.774 ( -6.032 1.904 4.032) 7.501 4.777 ( -5.990 1.597 3.957) 7.355 5.582 ( 0.968 5.785 -0.083) 5.866 5.601 ( 1.010 3.937 -0.369) 4.081 5.620 ( -2.082 4.924 0.690) 5.390 5.649 ( -2.998 2.476 -0.250) 3.896 6.052 ( 2.673 6.510 0.536) 7.058 6.078 ( 1.711 4.587 -0.131) 4.897 6.090 ( -0.161 5.234 -0.319) 5.246 6.108 ( -0.302 4.169 -0.614) 4.224 6.748 ( 5.097 0.433 -3.040) 5.951 6.760 ( 5.575 -0.535 -3.918) 6.835 6.852 ( -3.873 0.877 -0.145) 3.974 6.873 ( -4.123 -0.681 -1.277) 4.369 7.193 ( 1.903 2.163 3.641) 4.643 7.231 ( -1.710 3.240 1.069) 3.816 7.284 ( 3.027 -6.128 1.569) 7.012 7.345 ( -3.018 -7.117 -0.233) 7.734 9.049 ( 5.780 9.855 1.637) 11.542 9.141 ( 3.884 6.734 0.520) 7.791 9.174 ( 0.093 5.570 -3.384) 6.518 9.267 ( 5.751 -2.561 -3.104) 7.019 9.293 ( 12.173 -5.876 2.746) 13.794 9.351 ( 4.031 -3.102 -1.492) 5.301 9.591 ( -15.192 -0.139 6.225) 16.419 9.625 ( -13.268 0.692 3.311) 13.693 9.818 ( 3.294 7.498 -1.191) 8.275 9.911 ( -7.313 -0.820 -3.626) 8.204 10.004 ( 2.246 -9.279 -0.437) 9.557 10.023 ( 0.049 -9.920 -0.630) 9.940 10.693 ( 5.702 12.419 3.913) 14.214 10.782 ( -1.813 9.601 0.541) 9.785 10.974 ( 0.974 -9.426 7.108) 11.846 11.041 ( -4.332 -8.469 4.408) 10.484 11.174 ( 2.332 15.200 -3.406) 15.751 11.249 ( -4.564 11.510 -5.633) 13.603 11.479 ( -0.274 -11.352 -5.988) 12.837 11.500 ( -2.173 -9.286 -4.564) 10.572 11.739 ( 2.303 6.023 3.476) 7.326 11.799 ( -3.379 3.963 3.840) 6.471 11.852 ( 3.179 -4.430 5.366) 7.650 11.908 ( -1.769 -5.640 4.551) 7.460 12.309 ( 6.890 5.756 -3.545) 9.652 12.387 ( 2.217 0.225 -4.926) 5.406 12.500 ( -5.068 -1.347 -0.224) 5.249 12.546 ( -6.144 -4.126 -1.973) 7.659 12.650 ( 5.365 3.360 0.494) 6.350 12.702 ( 1.914 -2.356 0.014) 3.036 12.761 ( -2.859 -1.384 -0.875) 3.295 12.771 ( -2.706 -1.802 0.636) 3.312 15.136 ( 1.498 0.196 -2.973) 3.335 15.156 ( -0.552 -1.314 -2.981) 3.304 15.211 ( -2.136 -4.308 -2.172) 5.276 15.216 ( -2.749 -5.238 -2.247) 6.328 15.705 ( 5.216 1.064 2.193) 5.757 15.751 ( 3.202 -2.404 0.809) 4.084 15.795 ( -1.022 -1.914 3.450) 4.076 15.828 ( -1.721 -4.107 2.323) 5.022 ======================= Grid point 150 (49/72) ======================= 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 0.000 -21.173) 21.173 1.069 ( 0.000 0.000 21.173) 21.173 1.138 ( 0.000 0.000 -25.427) 25.427 1.138 ( 0.000 0.000 25.427) 25.427 1.933 ( 0.000 0.000 -32.383) 32.383 1.933 ( 0.000 0.000 32.383) 32.383 1.961 ( 0.000 0.000 -3.566) 3.566 1.961 ( 0.000 0.000 3.566) 3.566 2.233 ( 0.000 0.000 -2.545) 2.545 2.233 ( 0.000 0.000 2.545) 2.545 2.325 ( 0.000 0.000 -1.956) 1.956 2.325 ( 0.000 0.000 1.956) 1.956 2.410 ( 0.000 0.000 -1.818) 1.818 2.410 ( 0.000 0.000 1.818) 1.818 2.528 ( 0.000 0.000 -4.248) 4.248 2.528 ( 0.000 0.000 4.248) 4.248 2.535 ( 0.000 0.000 -6.473) 6.473 2.535 ( 0.000 0.000 6.473) 6.473 2.719 ( 0.000 0.000 -8.928) 8.928 2.719 ( 0.000 0.000 8.928) 8.928 2.913 ( 0.000 0.000 -3.525) 3.525 2.913 ( 0.000 0.000 3.525) 3.525 3.561 ( 0.000 0.000 -20.138) 20.138 3.561 ( 0.000 0.000 20.138) 20.138 3.967 ( 0.000 0.000 -12.807) 12.807 3.967 ( 0.000 0.000 12.807) 12.807 4.340 ( 0.000 0.000 -12.047) 12.047 4.340 ( 0.000 0.000 12.047) 12.047 4.764 ( 0.000 0.000 -1.416) 1.416 4.764 ( 0.000 0.000 1.416) 1.416 4.970 ( 0.000 0.000 -6.922) 6.922 4.970 ( 0.000 0.000 6.922) 6.922 5.303 ( 0.000 0.000 -3.669) 3.669 5.303 ( 0.000 0.000 3.669) 3.669 5.549 ( 0.000 0.000 -0.045) 0.045 5.549 ( 0.000 0.000 0.045) 0.045 6.418 ( 0.000 0.000 -1.444) 1.444 6.418 ( 0.000 0.000 1.444) 1.444 7.199 ( 0.000 0.000 -0.711) 0.711 7.199 ( 0.000 0.000 0.711) 0.711 7.648 ( 0.000 0.000 -13.658) 13.658 7.648 ( 0.000 0.000 13.658) 13.658 7.800 ( 0.000 0.000 -11.087) 11.087 7.800 ( 0.000 0.000 11.087) 11.087 8.269 ( 0.000 0.000 -11.515) 11.515 8.269 ( 0.000 0.000 11.515) 11.515 8.483 ( 0.000 0.000 -1.949) 1.949 8.483 ( 0.000 0.000 1.949) 1.949 8.820 ( 0.000 0.000 -4.152) 4.152 8.820 ( 0.000 0.000 4.152) 4.152 9.485 ( 0.000 0.000 -8.551) 8.551 9.485 ( 0.000 0.000 8.551) 8.551 9.658 ( 0.000 0.000 -1.888) 1.888 9.658 ( 0.000 0.000 1.888) 1.888 9.895 ( 0.000 0.000 -10.561) 10.561 9.895 ( 0.000 0.000 10.561) 10.561 10.359 ( 0.000 0.000 -0.786) 0.786 10.359 ( 0.000 0.000 0.786) 0.786 10.397 ( 0.000 0.000 -13.431) 13.431 10.397 ( 0.000 0.000 13.431) 13.431 11.120 ( 0.000 0.000 -8.602) 8.602 11.120 ( 0.000 0.000 8.602) 8.602 11.190 ( 0.000 0.000 -0.904) 0.904 11.190 ( 0.000 0.000 0.904) 0.904 11.567 ( 0.000 0.000 -0.517) 0.517 11.567 ( 0.000 0.000 0.517) 0.517 11.586 ( 0.000 0.000 -2.112) 2.112 11.586 ( 0.000 0.000 2.112) 2.112 12.292 ( 0.000 0.000 -4.839) 4.839 12.292 ( 0.000 0.000 4.839) 4.839 12.736 ( 0.000 0.000 -3.173) 3.173 12.736 ( 0.000 0.000 3.173) 3.173 13.645 ( 0.000 0.000 -2.572) 2.572 13.645 ( 0.000 0.000 2.572) 2.572 14.192 ( 0.000 0.000 -3.135) 3.135 14.192 ( 0.000 0.000 3.135) 3.135 15.834 ( 0.000 0.000 -1.893) 1.893 15.834 ( 0.000 0.000 1.893) 1.893 16.048 ( 0.000 0.000 -0.904) 0.904 16.048 ( 0.000 0.000 0.904) 0.904 16.882 ( 0.000 0.000 -3.840) 3.840 16.882 ( 0.000 0.000 3.840) 3.840 17.154 ( 0.000 0.000 -3.626) 3.626 17.154 ( 0.000 0.000 3.626) 3.626 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 9.489 0.000 -18.403) 20.705 1.167 ( 9.489 0.000 18.403) 20.705 1.241 ( 9.818 0.000 -22.004) 24.095 1.241 ( 9.818 0.000 22.004) 24.095 1.882 ( -7.970 0.000 -4.450) 9.128 1.882 ( -7.970 0.000 4.450) 9.128 2.061 ( 2.187 0.000 -11.840) 12.040 2.061 ( 2.187 0.000 11.840) 12.040 2.204 ( -1.414 0.000 -27.914) 27.949 2.204 ( -1.414 0.000 27.914) 27.949 2.210 ( -1.377 0.000 -2.739) 3.066 2.210 ( -1.377 0.000 2.739) 3.066 2.323 ( -0.171 0.000 -1.826) 1.833 2.323 ( -0.171 0.000 1.826) 1.833 2.580 ( 4.188 0.000 -3.491) 5.453 2.580 ( 4.188 0.000 3.491) 5.453 2.764 ( 13.382 0.000 -3.500) 13.832 2.764 ( 13.382 0.000 3.500) 13.832 2.827 ( 10.675 0.000 -10.050) 14.661 2.827 ( 10.675 0.000 10.050) 14.661 2.901 ( -1.199 0.000 -3.183) 3.401 2.901 ( -1.199 0.000 3.183) 3.401 3.489 ( -6.582 0.000 -16.652) 17.906 3.489 ( -6.582 0.000 16.652) 17.906 3.889 ( -8.715 0.000 -13.730) 16.262 3.889 ( -8.715 0.000 13.730) 16.262 4.043 ( -23.047 0.000 -14.468) 27.211 4.043 ( -23.047 0.000 14.468) 27.211 4.809 ( 0.898 0.000 -6.590) 6.651 4.809 ( 0.898 0.000 6.590) 6.651 5.050 ( 5.804 0.000 -5.376) 7.911 5.050 ( 5.804 0.000 5.376) 7.911 5.288 ( -0.841 0.000 -4.065) 4.151 5.288 ( -0.841 0.000 4.065) 4.151 5.628 ( 6.783 0.000 -0.906) 6.843 5.628 ( 6.783 0.000 0.906) 6.843 6.380 ( -1.812 0.000 -4.738) 5.072 6.380 ( -1.812 0.000 4.738) 5.072 7.047 ( -10.906 0.000 -8.240) 13.669 7.047 ( -10.906 0.000 8.240) 13.669 7.826 ( 2.689 0.000 -10.910) 11.237 7.826 ( 2.689 0.000 10.910) 11.237 7.841 ( 13.409 0.000 -7.200) 15.220 7.841 ( 13.409 0.000 7.200) 15.220 8.183 ( -7.360 0.000 -10.517) 12.836 8.183 ( -7.360 0.000 10.517) 12.836 8.445 ( -3.601 0.000 -2.182) 4.210 8.445 ( -3.601 0.000 2.182) 4.210 8.908 ( 7.313 0.000 -2.762) 7.817 8.908 ( 7.313 0.000 2.762) 7.817 9.570 ( 6.672 0.000 -7.253) 9.855 9.570 ( 6.672 0.000 7.253) 9.855 9.633 ( -2.417 0.000 -1.702) 2.956 9.633 ( -2.417 0.000 1.702) 2.956 9.832 ( -4.732 0.000 -7.235) 8.645 9.832 ( -4.732 0.000 7.235) 8.645 10.356 ( -0.233 0.000 -0.627) 0.669 10.356 ( -0.233 0.000 0.627) 0.669 10.537 ( 14.091 0.000 -12.060) 18.547 10.537 ( 14.091 0.000 12.060) 18.547 11.186 ( -0.374 0.000 -0.722) 0.813 11.186 ( -0.374 0.000 0.722) 0.813 11.263 ( 11.496 0.000 -7.572) 13.766 11.263 ( 11.496 0.000 7.572) 13.766 11.569 ( 0.130 0.000 -0.520) 0.536 11.569 ( 0.130 0.000 0.520) 0.536 11.589 ( 0.212 0.000 -1.667) 1.681 11.589 ( 0.212 0.000 1.667) 1.681 12.136 ( -15.651 0.000 -2.713) 15.885 12.136 ( -15.651 0.000 2.713) 15.885 12.639 ( -7.116 0.000 -3.831) 8.082 12.639 ( -7.116 0.000 3.831) 8.082 13.647 ( -0.298 0.000 -3.852) 3.864 13.647 ( -0.298 0.000 3.852) 3.864 14.205 ( 1.219 0.000 -2.647) 2.914 14.205 ( 1.219 0.000 2.647) 2.914 15.816 ( -0.435 0.000 -2.531) 2.568 15.816 ( -0.435 0.000 2.531) 2.568 16.066 ( 0.455 0.000 -2.008) 2.059 16.066 ( 0.455 0.000 2.008) 2.059 16.862 ( -1.578 0.000 -2.794) 3.209 16.862 ( -1.578 0.000 2.794) 3.209 17.140 ( -1.062 0.000 -2.880) 3.070 17.140 ( -1.062 0.000 2.880) 3.070 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 13.221 0.000 -12.726) 18.351 1.399 ( 13.221 0.000 12.726) 18.351 1.484 ( 14.468 0.000 -16.120) 21.660 1.484 ( 14.468 0.000 16.120) 21.660 1.674 ( -12.469 0.000 -7.791) 14.703 1.674 ( -12.469 0.000 7.791) 14.703 1.800 ( -16.441 0.000 -10.408) 19.458 1.800 ( -16.441 0.000 10.408) 19.458 2.195 ( -0.297 0.000 -1.217) 1.253 2.195 ( -0.297 0.000 1.217) 1.253 2.319 ( -0.108 0.000 -0.779) 0.787 2.319 ( -0.108 0.000 0.779) 0.787 2.555 ( 21.711 0.000 -23.373) 31.901 2.555 ( 21.711 0.000 23.373) 31.901 2.651 ( 2.380 0.000 -1.607) 2.872 2.651 ( 2.380 0.000 1.607) 2.872 2.875 ( -1.058 0.000 -1.591) 1.911 2.875 ( -1.058 0.000 1.591) 1.911 2.938 ( 2.195 0.000 -9.831) 10.073 2.938 ( 2.195 0.000 9.831) 10.073 3.081 ( 10.988 0.000 -9.891) 14.784 3.081 ( 10.988 0.000 9.891) 14.784 3.338 ( -7.452 0.000 -8.936) 11.636 3.338 ( -7.452 0.000 8.936) 11.636 3.602 ( -12.934 0.000 -11.125) 17.060 3.602 ( -12.934 0.000 11.125) 17.060 3.691 ( -12.713 0.000 -9.237) 15.714 3.691 ( -12.713 0.000 9.237) 15.714 4.823 ( 0.764 0.000 -4.838) 4.898 4.823 ( 0.764 0.000 4.838) 4.898 5.079 ( -1.355 0.000 -0.654) 1.504 5.079 ( -1.355 0.000 0.654) 1.504 5.310 ( 1.970 0.000 -0.971) 2.196 5.310 ( 1.970 0.000 0.971) 2.196 5.743 ( 3.616 0.000 -0.516) 3.652 5.743 ( 3.616 0.000 0.516) 3.652 6.388 ( 1.745 0.000 -4.646) 4.963 6.388 ( 1.745 0.000 4.646) 4.963 6.866 ( -6.149 0.000 -6.479) 8.932 6.866 ( -6.149 0.000 6.479) 8.932 7.903 ( 5.260 0.000 -10.346) 11.606 7.903 ( 5.260 0.000 10.346) 11.606 8.032 ( -7.432 0.000 -9.998) 12.458 8.032 ( -7.432 0.000 9.998) 12.458 8.039 ( 5.805 0.000 -2.278) 6.236 8.039 ( 5.805 0.000 2.278) 6.236 8.374 ( -2.673 0.000 -3.211) 4.178 8.374 ( -2.673 0.000 3.211) 4.178 9.035 ( 4.339 0.000 -1.012) 4.456 9.035 ( 4.339 0.000 1.012) 4.456 9.582 ( -2.035 0.000 -0.825) 2.196 9.582 ( -2.035 0.000 0.825) 2.196 9.672 ( 3.194 0.000 -1.633) 3.587 9.672 ( 3.194 0.000 1.633) 3.587 9.758 ( -2.497 0.000 -3.088) 3.971 9.758 ( -2.497 0.000 3.088) 3.971 10.352 ( -0.137 0.000 -0.234) 0.271 10.352 ( -0.137 0.000 0.234) 0.271 10.895 ( 19.349 0.000 -8.214) 21.020 10.895 ( 19.349 0.000 8.214) 21.020 11.179 ( -0.227 0.000 -0.271) 0.353 11.179 ( -0.227 0.000 0.271) 0.353 11.382 ( -4.066 0.000 -9.019) 9.893 11.382 ( -4.066 0.000 9.019) 9.893 11.571 ( 0.076 0.000 -0.243) 0.254 11.571 ( 0.076 0.000 0.243) 0.254 11.593 ( 0.130 0.000 -0.612) 0.626 11.593 ( 0.130 0.000 0.612) 0.626 11.819 ( -10.273 0.000 -1.250) 10.349 11.819 ( -10.273 0.000 1.250) 10.349 12.536 ( -2.962 0.000 -1.657) 3.394 12.536 ( -2.962 0.000 1.657) 3.394 13.633 ( -0.714 0.000 -1.724) 1.866 13.633 ( -0.714 0.000 1.724) 1.866 14.228 ( 0.764 0.000 -1.022) 1.276 14.228 ( 0.764 0.000 1.022) 1.276 15.836 ( 1.663 0.000 -1.728) 2.398 15.836 ( 1.663 0.000 1.728) 2.398 16.046 ( -1.709 0.000 -1.685) 2.400 16.046 ( -1.709 0.000 1.685) 2.400 16.840 ( -0.522 0.000 -0.934) 1.070 16.840 ( -0.522 0.000 0.934) 1.070 17.123 ( -0.517 0.000 -1.187) 1.295 17.123 ( -0.517 0.000 1.187) 1.295 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 8.869 -21.570) 23.323 1.230 ( 0.000 8.869 21.570) 23.323 1.292 ( 0.000 17.207 -19.393) 25.927 1.292 ( 0.000 17.207 19.393) 25.927 2.056 ( 0.000 16.263 -14.218) 21.602 2.056 ( 0.000 16.263 14.218) 21.602 2.158 ( 0.000 14.300 -2.568) 14.529 2.158 ( 0.000 14.300 2.568) 14.529 2.347 ( 0.000 10.427 -3.450) 10.983 2.347 ( 0.000 10.427 3.450) 10.983 2.441 ( 0.000 7.920 -4.634) 9.177 2.441 ( 0.000 7.920 4.634) 9.177 2.490 ( 0.000 10.596 -5.409) 11.897 2.490 ( 0.000 10.596 5.409) 11.897 2.593 ( 0.000 9.421 -0.101) 9.421 2.593 ( 0.000 9.421 0.101) 9.421 2.714 ( 0.000 16.723 -4.489) 17.315 2.714 ( 0.000 16.723 4.489) 17.315 2.739 ( 0.000 3.625 -7.311) 8.160 2.739 ( 0.000 3.625 7.311) 8.160 3.087 ( 0.000 16.550 -3.519) 16.920 3.087 ( 0.000 16.550 3.519) 16.920 3.543 ( 0.000 -1.381 -18.854) 18.904 3.543 ( 0.000 -1.381 18.854) 18.904 3.976 ( 0.000 0.928 -13.009) 13.042 3.976 ( 0.000 0.928 13.009) 13.042 4.335 ( 0.000 -0.238 -12.125) 12.128 4.335 ( 0.000 -0.238 12.125) 12.128 4.740 ( 0.000 -2.265 -1.259) 2.591 4.740 ( 0.000 -2.265 1.259) 2.591 4.954 ( 0.000 -1.313 -6.198) 6.336 4.954 ( 0.000 -1.313 6.198) 6.336 5.269 ( 0.000 -3.294 -3.631) 4.902 5.269 ( 0.000 -3.294 3.631) 4.902 5.530 ( 0.000 -1.833 -0.582) 1.923 5.530 ( 0.000 -1.833 0.582) 1.923 6.404 ( 0.000 -0.967 -0.807) 1.259 6.404 ( 0.000 -0.967 0.807) 1.259 7.097 ( 0.000 -7.450 -0.592) 7.473 7.097 ( 0.000 -7.450 0.592) 7.473 7.596 ( 0.000 -2.512 -8.843) 9.192 7.596 ( 0.000 -2.512 8.843) 9.192 7.908 ( 0.000 5.562 -4.287) 7.023 7.908 ( 0.000 5.562 4.287) 7.023 8.374 ( 0.000 5.192 -4.963) 7.182 8.374 ( 0.000 5.192 4.963) 7.182 8.535 ( 0.000 9.379 -2.915) 9.822 8.535 ( 0.000 9.379 2.915) 9.822 8.982 ( 0.000 14.689 -3.657) 15.137 8.982 ( 0.000 14.689 3.657) 15.137 9.536 ( 0.000 4.200 -7.777) 8.839 9.536 ( 0.000 4.200 7.777) 8.839 9.807 ( 0.000 12.633 -2.483) 12.875 9.807 ( 0.000 12.633 2.483) 12.875 9.969 ( 0.000 3.837 -12.599) 13.170 9.969 ( 0.000 3.837 12.599) 13.170 10.305 ( 0.000 1.024 -2.881) 3.057 10.305 ( 0.000 1.024 2.881) 3.057 10.371 ( 0.000 -4.355 -11.783) 12.562 10.371 ( 0.000 -4.355 11.783) 12.562 11.041 ( 0.000 -6.344 -3.653) 7.321 11.041 ( 0.000 -6.344 3.653) 7.321 11.306 ( 0.000 6.909 -4.806) 8.416 11.306 ( 0.000 6.909 4.806) 8.416 11.512 ( 0.000 -3.018 -0.453) 3.052 11.512 ( 0.000 -3.018 0.453) 3.052 11.571 ( 0.000 0.034 -0.804) 0.804 11.571 ( 0.000 0.034 0.804) 0.804 12.283 ( 0.000 -1.169 -5.094) 5.227 12.283 ( 0.000 -1.169 5.094) 5.227 12.766 ( 0.000 2.301 -3.018) 3.795 12.766 ( 0.000 2.301 3.018) 3.795 13.608 ( 0.000 -4.029 -4.488) 6.031 13.608 ( 0.000 -4.029 4.488) 6.031 14.100 ( 0.000 -9.258 -2.664) 9.634 14.100 ( 0.000 -9.258 2.664) 9.634 15.802 ( 0.000 -3.373 -1.195) 3.579 15.802 ( 0.000 -3.373 1.195) 3.579 16.004 ( 0.000 -4.157 -0.872) 4.248 16.004 ( 0.000 -4.157 0.872) 4.248 16.803 ( 0.000 -7.749 -2.897) 8.272 16.803 ( 0.000 -7.749 2.897) 8.272 17.065 ( 0.000 -8.675 -3.007) 9.181 17.065 ( 0.000 -8.675 3.007) 9.181 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 8.174 8.051 -19.789) 22.874 1.316 ( 8.174 8.051 19.789) 22.874 1.385 ( 9.287 16.747 -18.037) 26.307 1.385 ( 9.287 16.747 18.037) 26.307 2.055 ( -9.874 10.578 -1.913) 14.596 2.055 ( -9.874 10.578 1.913) 14.596 2.110 ( -3.206 10.428 -0.912) 10.948 2.110 ( -3.206 10.428 0.912) 10.948 2.267 ( 0.393 12.554 -15.762) 20.155 2.267 ( 0.393 12.554 15.762) 20.155 2.382 ( 1.133 13.395 -1.638) 13.542 2.382 ( 1.133 13.395 1.638) 13.542 2.535 ( 2.354 18.393 -7.896) 20.154 2.535 ( 2.354 18.393 7.896) 20.154 2.751 ( 5.293 14.809 -4.601) 16.386 2.751 ( 5.293 14.809 4.601) 16.386 2.782 ( 12.368 3.350 -3.532) 13.291 2.782 ( 12.368 3.350 3.532) 13.291 2.845 ( 9.260 3.912 -8.459) 13.138 2.845 ( 9.260 3.912 8.459) 13.138 3.077 ( -0.725 16.354 -3.052) 16.652 3.077 ( -0.725 16.354 3.052) 16.652 3.483 ( -5.672 -0.421 -16.076) 17.053 3.483 ( -5.672 -0.421 16.076) 17.053 3.891 ( -8.813 0.259 -13.235) 15.903 3.891 ( -8.813 0.259 13.235) 15.903 4.050 ( -22.722 1.224 -14.237) 26.842 4.050 ( -22.722 1.224 14.237) 26.842 4.790 ( 1.875 -1.900 -6.275) 6.819 4.790 ( 1.875 -1.900 6.275) 6.819 5.035 ( 5.241 -1.383 -5.276) 7.564 5.035 ( 5.241 -1.383 5.276) 7.564 5.247 ( -0.976 -3.843 -3.984) 5.621 5.247 ( -0.976 -3.843 3.984) 5.621 5.605 ( 6.325 -2.324 -0.637) 6.769 5.605 ( 6.325 -2.324 0.637) 6.769 6.382 ( -0.819 0.393 -4.516) 4.606 6.382 ( -0.819 0.393 4.516) 4.606 6.983 ( -9.248 -5.140 -7.744) 13.111 6.983 ( -9.248 -5.140 7.744) 13.111 7.703 ( 7.527 -5.103 -6.141) 10.973 7.703 ( 7.527 -5.103 6.141) 10.973 7.951 ( 4.083 3.693 -5.898) 8.068 7.951 ( 4.083 3.693 5.898) 8.068 8.348 ( -3.278 11.701 -6.067) 13.582 8.348 ( -3.278 11.701 6.067) 13.582 8.513 ( -1.385 7.971 -0.752) 8.125 8.513 ( -1.385 7.971 0.752) 8.125 9.050 ( 6.197 13.709 -2.727) 15.290 9.050 ( 6.197 13.709 2.727) 15.290 9.583 ( 4.117 2.136 -4.498) 6.461 9.583 ( 4.117 2.136 4.498) 6.461 9.778 ( -2.676 11.776 -1.382) 12.155 9.778 ( -2.676 11.776 1.382) 12.155 9.881 ( -6.000 3.876 -6.967) 9.978 9.881 ( -6.000 3.876 6.967) 9.978 10.312 ( 1.648 -2.977 -1.929) 3.911 10.312 ( 1.648 -2.977 1.929) 3.911 10.568 ( 15.981 2.166 -8.780) 18.362 10.568 ( 15.981 2.166 8.780) 18.362 11.050 ( 0.795 -8.406 -2.603) 8.835 11.050 ( 0.795 -8.406 2.603) 8.835 11.310 ( 0.642 -1.273 -4.948) 5.149 11.310 ( 0.642 -1.273 4.948) 5.149 11.514 ( -0.839 -2.968 -3.400) 4.591 11.514 ( -0.839 -2.968 3.400) 4.591 11.597 ( 2.602 2.754 -2.281) 4.422 11.597 ( 2.602 2.754 2.281) 4.422 12.145 ( -14.031 0.382 -3.444) 14.452 12.145 ( -14.031 0.382 3.444) 14.452 12.688 ( -5.336 3.934 -3.552) 7.521 12.688 ( -5.336 3.934 3.552) 7.521 13.604 ( -0.734 -4.644 -4.442) 6.468 13.604 ( -0.734 -4.644 4.442) 6.468 14.117 ( 1.605 -8.836 -2.131) 9.230 14.117 ( 1.605 -8.836 2.131) 9.230 15.789 ( -0.138 -2.876 -1.873) 3.435 15.789 ( -0.138 -2.876 1.873) 3.435 16.022 ( 0.684 -4.106 -1.801) 4.535 16.022 ( 0.684 -4.106 1.801) 4.535 16.786 ( -1.387 -7.573 -2.267) 8.026 16.786 ( -1.387 -7.573 2.267) 8.026 17.058 ( -0.584 -8.112 -2.561) 8.527 17.058 ( -0.584 -8.112 2.561) 8.527 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 12.190 5.877 -12.600) 18.490 1.521 ( 12.190 5.877 12.600) 18.490 1.613 ( 12.522 16.457 -11.029) 23.436 1.613 ( 12.522 16.457 11.029) 23.436 1.812 ( -13.176 5.536 -6.944) 15.890 1.812 ( -13.176 5.536 6.944) 15.890 1.905 ( -12.728 16.755 -4.798) 21.581 1.905 ( -12.728 16.755 4.798) 21.581 2.317 ( 0.620 12.418 -0.838) 12.462 2.317 ( 0.620 12.418 0.838) 12.462 2.458 ( 2.254 13.131 -0.262) 13.325 2.458 ( 2.254 13.131 0.262) 13.325 2.692 ( 13.759 13.838 -14.028) 24.033 2.692 ( 13.759 13.838 14.028) 24.033 2.822 ( 1.128 15.043 -3.480) 15.481 2.822 ( 1.128 15.043 3.480) 15.481 2.977 ( 5.836 8.649 -7.191) 12.672 2.977 ( 5.836 8.649 7.191) 12.672 3.037 ( 3.449 7.855 -5.523) 10.203 3.037 ( 3.449 7.855 5.523) 10.203 3.119 ( 8.446 8.267 -4.744) 12.735 3.119 ( 8.446 8.267 4.744) 12.735 3.357 ( -5.727 2.302 -7.935) 10.053 3.357 ( -5.727 2.302 7.935) 10.053 3.617 ( -15.321 2.376 -12.346) 19.820 3.617 ( -15.321 2.376 12.346) 19.820 3.670 ( -12.898 -1.807 -8.631) 15.624 3.670 ( -12.898 -1.807 8.631) 15.624 4.822 ( 1.411 -0.116 -4.833) 5.036 4.822 ( 1.411 -0.116 4.833) 5.036 5.050 ( -1.844 -2.900 -0.895) 3.551 5.050 ( -1.844 -2.900 0.895) 3.551 5.275 ( 2.166 -3.385 -0.727) 4.084 5.275 ( 2.166 -3.385 0.727) 4.084 5.712 ( 3.373 -3.158 -0.209) 4.625 5.712 ( 3.373 -3.158 0.209) 4.625 6.401 ( 1.959 1.452 -4.560) 5.171 6.401 ( 1.959 1.452 4.560) 5.171 6.818 ( -5.949 -4.014 -6.187) 9.475 6.818 ( -5.949 -4.014 6.187) 9.475 7.812 ( 3.223 -5.949 -4.034) 7.877 7.812 ( 3.223 -5.949 4.034) 7.877 8.018 ( 1.529 1.507 -3.490) 4.098 8.018 ( 1.529 1.507 3.490) 4.098 8.290 ( -1.372 14.343 -2.627) 14.646 8.290 ( -1.372 14.343 2.627) 14.646 8.482 ( -1.510 11.564 -1.103) 11.715 8.482 ( -1.510 11.564 1.103) 11.715 9.173 ( 4.648 12.816 -1.186) 13.684 9.173 ( 4.648 12.816 1.186) 13.684 9.643 ( 0.813 3.201 -1.047) 3.465 9.643 ( 0.813 3.201 1.047) 3.465 9.740 ( 0.326 7.958 -1.484) 8.102 9.740 ( 0.326 7.958 1.484) 8.102 9.788 ( -3.635 3.887 -2.877) 6.050 9.788 ( -3.635 3.887 2.877) 6.050 10.343 ( 0.990 -1.105 -0.825) 1.697 10.343 ( 0.990 -1.105 0.825) 1.697 10.918 ( 17.491 0.956 -7.753) 19.156 10.918 ( 17.491 0.956 7.753) 19.156 11.061 ( 0.138 -9.477 -1.114) 9.543 11.061 ( 0.138 -9.477 1.114) 9.543 11.317 ( -1.483 -7.408 -7.473) 10.626 11.317 ( -1.483 -7.408 7.473) 10.626 11.454 ( -5.069 -6.382 -2.565) 8.544 11.454 ( -5.069 -6.382 2.565) 8.544 11.639 ( 0.946 4.641 -1.425) 4.946 11.639 ( 0.946 4.641 1.425) 4.946 11.846 ( -11.166 1.897 -0.928) 11.364 11.846 ( -11.166 1.897 0.928) 11.364 12.623 ( -1.354 6.797 -1.499) 7.091 12.623 ( -1.354 6.797 1.499) 7.091 13.583 ( -0.950 -5.456 -1.784) 5.819 13.583 ( -0.950 -5.456 1.784) 5.819 14.146 ( 0.973 -8.268 -0.761) 8.359 14.146 ( 0.973 -8.268 0.761) 8.359 15.811 ( 1.677 -2.595 -1.468) 3.421 15.811 ( 1.677 -2.595 1.468) 3.421 16.009 ( -1.459 -3.612 -1.545) 4.191 16.009 ( -1.459 -3.612 1.545) 4.191 16.766 ( -0.458 -7.379 -0.813) 7.437 16.766 ( -0.458 -7.379 0.813) 7.437 17.048 ( -0.342 -7.492 -1.101) 7.580 17.048 ( -0.342 -7.492 1.101) 7.580 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.000 12.723 -10.018) 16.194 1.449 ( 0.000 12.723 10.018) 16.194 1.616 ( 0.000 16.366 -12.000) 20.294 1.616 ( 0.000 16.366 12.000) 20.294 2.276 ( 0.000 3.090 -7.024) 7.674 2.276 ( 0.000 3.090 7.024) 7.674 2.490 ( 0.000 10.587 -2.040) 10.782 2.490 ( 0.000 10.587 2.040) 10.782 2.615 ( 0.000 18.994 -1.350) 19.042 2.615 ( 0.000 18.994 1.350) 19.042 2.678 ( 0.000 14.603 -7.293) 16.323 2.678 ( 0.000 14.603 7.293) 16.323 2.779 ( 0.000 17.459 -4.539) 18.039 2.779 ( 0.000 17.459 4.539) 18.039 2.827 ( 0.000 22.073 -0.793) 22.087 2.827 ( 0.000 22.073 0.793) 22.087 3.024 ( 0.000 21.482 -1.751) 21.554 3.024 ( 0.000 21.482 1.751) 21.554 3.131 ( 0.000 24.534 -2.598) 24.671 3.131 ( 0.000 24.534 2.598) 24.671 3.492 ( 0.000 20.596 -3.003) 20.814 3.492 ( 0.000 20.596 3.003) 20.814 3.537 ( 0.000 4.564 -13.726) 14.465 3.537 ( 0.000 4.564 13.726) 14.465 4.013 ( 0.000 3.277 -12.520) 12.942 4.013 ( 0.000 3.277 12.520) 12.942 4.350 ( 0.000 2.709 -11.372) 11.690 4.350 ( 0.000 2.709 11.372) 11.690 4.682 ( 0.000 -3.561 -0.630) 3.616 4.682 ( 0.000 -3.561 0.630) 3.616 4.936 ( 0.000 0.056 -4.774) 4.774 4.936 ( 0.000 0.056 4.774) 4.774 5.180 ( 0.000 -5.727 -3.971) 6.969 5.180 ( 0.000 -5.727 3.971) 6.969 5.481 ( 0.000 -3.153 -2.351) 3.933 5.481 ( 0.000 -3.153 2.351) 3.933 6.399 ( 0.000 0.785 -0.349) 0.859 6.399 ( 0.000 0.785 0.349) 0.859 6.975 ( 0.000 -4.693 -0.389) 4.709 6.975 ( 0.000 -4.693 0.389) 4.709 7.566 ( 0.000 -0.758 -7.443) 7.481 7.566 ( 0.000 -0.758 7.443) 7.481 7.959 ( 0.000 -0.060 -0.130) 0.143 7.959 ( 0.000 -0.060 0.130) 0.143 8.412 ( 0.000 1.257 -0.505) 1.355 8.412 ( 0.000 1.257 0.505) 1.355 8.814 ( 0.000 14.327 -3.686) 14.794 8.814 ( 0.000 14.327 3.686) 14.794 9.279 ( 0.000 12.395 -2.432) 12.631 9.279 ( 0.000 12.395 2.432) 12.631 9.635 ( 0.000 5.846 -7.738) 9.698 9.635 ( 0.000 5.846 7.738) 9.698 9.897 ( 0.000 -4.022 -5.951) 7.182 9.897 ( 0.000 -4.022 5.951) 7.182 10.050 ( 0.000 5.999 -5.472) 8.120 10.050 ( 0.000 5.999 5.472) 8.120 10.215 ( 0.000 -12.133 -5.533) 13.335 10.215 ( 0.000 -12.133 5.533) 13.335 10.542 ( 0.000 19.433 -8.246) 21.110 10.542 ( 0.000 19.433 8.246) 21.110 10.913 ( 0.000 -1.003 -2.081) 2.310 10.913 ( 0.000 -1.003 2.081) 2.310 11.453 ( 0.000 7.665 -7.507) 10.729 11.453 ( 0.000 7.665 7.507) 10.729 11.487 ( 0.000 1.276 -0.836) 1.526 11.487 ( 0.000 1.276 0.836) 1.526 11.634 ( 0.000 5.371 -1.885) 5.692 11.634 ( 0.000 5.371 1.885) 5.692 12.240 ( 0.000 -3.247 -5.234) 6.160 12.240 ( 0.000 -3.247 5.234) 6.160 12.789 ( 0.000 -0.817 -1.730) 1.913 12.789 ( 0.000 -0.817 1.730) 1.913 13.480 ( 0.000 -9.052 -7.755) 11.920 13.480 ( 0.000 -9.052 7.755) 11.920 13.849 ( 0.000 -15.790 -1.679) 15.879 13.849 ( 0.000 -15.790 1.679) 15.879 15.701 ( 0.000 -6.772 -0.623) 6.800 15.701 ( 0.000 -6.772 0.623) 6.800 15.909 ( 0.000 -5.036 -1.846) 5.364 15.909 ( 0.000 -5.036 1.846) 5.364 16.604 ( 0.000 -11.950 -1.374) 12.029 16.604 ( 0.000 -11.950 1.374) 12.029 16.836 ( 0.000 -14.336 -2.238) 14.509 16.836 ( 0.000 -14.336 2.238) 14.509 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 6.596 12.169 -12.888) 18.913 1.520 ( 6.596 12.169 12.888) 18.913 1.695 ( 8.428 14.800 -15.459) 23.001 1.695 ( 8.428 14.800 15.459) 23.001 2.145 ( -10.363 4.250 -1.870) 11.356 2.145 ( -10.363 4.250 1.870) 11.356 2.480 ( -5.962 16.270 -5.504) 18.182 2.480 ( -5.962 16.270 5.504) 18.182 2.669 ( 2.642 18.571 -1.356) 18.807 2.669 ( 2.642 18.571 1.356) 18.807 2.687 ( 1.474 24.611 -5.813) 25.331 2.687 ( 1.474 24.611 5.813) 25.331 2.803 ( 8.598 2.709 -6.762) 11.269 2.803 ( 8.598 2.709 6.762) 11.269 2.917 ( 6.835 17.220 -3.948) 18.943 2.917 ( 6.835 17.220 3.948) 18.943 3.071 ( 4.542 22.051 -7.211) 23.640 3.071 ( 4.542 22.051 7.211) 23.640 3.183 ( 4.720 23.180 -5.330) 24.249 3.183 ( 4.720 23.180 5.330) 24.249 3.450 ( -3.424 13.985 -8.611) 16.776 3.450 ( -3.424 13.985 8.611) 16.776 3.525 ( -1.382 12.633 -10.686) 16.604 3.525 ( -1.382 12.633 10.686) 16.604 3.904 ( -10.776 1.435 -11.342) 15.710 3.904 ( -10.776 1.435 11.342) 15.710 4.130 ( -17.824 8.384 -12.938) 23.566 4.130 ( -17.824 8.384 12.938) 23.566 4.740 ( 3.978 -3.110 -4.990) 7.099 4.740 ( 3.978 -3.110 4.990) 7.099 5.006 ( 3.333 -1.154 -4.469) 5.693 5.006 ( 3.333 -1.154 4.469) 5.693 5.153 ( -0.768 -5.489 -3.932) 6.795 5.153 ( -0.768 -5.489 3.932) 6.795 5.539 ( 4.861 -4.428 -1.639) 6.776 5.539 ( 4.861 -4.428 1.639) 6.776 6.404 ( 1.078 2.055 -3.925) 4.559 6.404 ( 1.078 2.055 3.925) 4.559 6.893 ( -7.362 -3.531 -6.747) 10.592 6.893 ( -7.362 -3.531 6.747) 10.592 7.629 ( 5.084 -2.864 -5.182) 7.804 7.629 ( 5.084 -2.864 5.182) 7.804 7.975 ( 1.532 -0.986 -2.957) 3.473 7.975 ( 1.532 -0.986 2.957) 3.473 8.473 ( 4.215 2.996 -1.167) 5.301 8.473 ( 4.215 2.996 1.167) 5.301 8.767 ( -2.905 13.655 -2.307) 14.150 8.767 ( -2.905 13.655 2.307) 14.150 9.347 ( 5.636 13.200 -1.631) 14.446 9.347 ( 5.636 13.200 1.631) 14.446 9.662 ( 3.085 6.411 -2.941) 7.699 9.662 ( 3.085 6.411 2.941) 7.699 9.884 ( -1.903 -0.313 -4.031) 4.468 9.884 ( -1.903 -0.313 4.031) 4.468 10.002 ( -3.570 4.925 -4.928) 7.828 10.002 ( -3.570 4.925 4.928) 7.828 10.232 ( 2.367 -7.913 -1.919) 8.480 10.232 ( 2.367 -7.913 1.919) 8.480 10.677 ( 11.457 11.687 -5.126) 17.150 10.677 ( 11.457 11.687 5.126) 17.150 10.911 ( -0.019 -1.864 -3.185) 3.691 10.911 ( -0.019 -1.864 3.185) 3.691 11.301 ( -8.231 1.279 -4.163) 9.312 11.301 ( -8.231 1.279 4.163) 9.312 11.513 ( -1.979 3.521 -4.352) 5.937 11.513 ( -1.979 3.521 4.352) 5.937 11.690 ( 3.924 5.829 -0.991) 7.096 11.690 ( 3.924 5.829 0.991) 7.096 12.141 ( -10.644 -0.732 -4.394) 11.538 12.141 ( -10.644 -0.732 4.394) 11.538 12.746 ( -2.377 1.017 -2.271) 3.442 12.746 ( -2.377 1.017 2.271) 3.442 13.456 ( -2.372 -10.553 -5.714) 12.233 13.456 ( -2.372 -10.553 5.714) 12.233 13.876 ( 2.313 -15.311 -0.878) 15.509 13.876 ( 2.313 -15.311 0.878) 15.509 15.702 ( 0.664 -5.961 -0.820) 6.054 15.702 ( 0.664 -5.961 0.820) 6.054 15.924 ( 0.751 -5.473 -1.814) 5.814 15.924 ( 0.751 -5.473 1.814) 5.814 16.588 ( -1.259 -11.994 -1.277) 12.127 16.588 ( -1.259 -11.994 1.277) 12.127 16.841 ( 0.387 -13.663 -2.044) 13.821 16.841 ( 0.387 -13.663 2.044) 13.821 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 8.432 9.645 -11.024) 16.901 1.675 ( 8.432 9.645 11.024) 16.901 1.901 ( 2.965 9.507 -11.731) 15.388 1.901 ( 2.965 9.507 11.731) 15.388 1.956 ( -0.107 11.792 -8.998) 14.833 1.956 ( -0.107 11.792 8.998) 14.833 2.274 ( -12.332 17.033 -8.504) 22.683 2.274 ( -12.332 17.033 8.504) 22.683 2.675 ( 0.026 22.806 -1.167) 22.836 2.675 ( 0.026 22.806 1.167) 22.836 2.778 ( 3.638 18.452 -1.569) 18.872 2.778 ( 3.638 18.452 1.569) 18.872 2.962 ( 6.852 7.908 -3.541) 11.047 2.962 ( 6.852 7.908 3.541) 11.047 3.063 ( 1.725 7.917 -0.636) 8.128 3.063 ( 1.725 7.917 0.636) 8.128 3.186 ( 8.743 15.290 -4.454) 18.168 3.186 ( 8.743 15.290 4.454) 18.168 3.294 ( 4.665 18.848 -10.465) 22.057 3.294 ( 4.665 18.848 10.465) 22.057 3.426 ( 3.486 14.993 -2.113) 15.538 3.426 ( 3.486 14.993 2.113) 15.538 3.499 ( 0.188 17.759 -4.923) 18.430 3.499 ( 0.188 17.759 4.923) 18.430 3.649 ( -12.411 2.110 -6.544) 14.188 3.649 ( -12.411 2.110 6.544) 14.188 3.768 ( -17.560 15.272 -12.981) 26.648 3.768 ( -17.560 15.272 12.981) 26.648 4.820 ( 3.764 -0.149 -4.844) 6.136 4.820 ( 3.764 -0.149 4.844) 6.136 4.975 ( -3.800 -4.335 -1.920) 6.076 4.975 ( -3.800 -4.335 1.920) 6.076 5.194 ( 2.400 -4.470 -0.242) 5.080 5.194 ( 2.400 -4.470 0.242) 5.080 5.621 ( 2.594 -6.115 -0.464) 6.659 5.621 ( 2.594 -6.115 0.464) 6.659 6.451 ( 2.970 3.741 -4.435) 6.519 6.451 ( 2.970 3.741 4.435) 6.519 6.747 ( -5.916 -2.760 -5.870) 8.779 6.747 ( -5.916 -2.760 5.870) 8.779 7.708 ( 2.284 -4.913 -2.165) 5.835 7.708 ( 2.284 -4.913 2.165) 5.835 8.008 ( 1.346 -2.282 -2.290) 3.502 8.008 ( 1.346 -2.282 2.290) 3.502 8.506 ( -0.356 7.313 -1.158) 7.413 8.506 ( -0.356 7.313 1.158) 7.413 8.749 ( 0.450 12.244 -0.746) 12.275 8.749 ( 0.450 12.244 0.746) 12.275 9.464 ( 5.309 14.688 -2.046) 15.752 9.464 ( 5.309 14.688 2.046) 15.752 9.718 ( 0.809 6.070 -2.664) 6.678 9.718 ( 0.809 6.070 2.664) 6.678 9.820 ( -2.796 2.900 -2.146) 4.564 9.820 ( -2.796 2.900 2.146) 4.564 9.964 ( -0.496 6.917 -3.169) 7.625 9.964 ( -0.496 6.917 3.169) 7.625 10.287 ( 2.234 -5.724 -1.020) 6.229 10.287 ( 2.234 -5.724 1.020) 6.229 10.859 ( 3.220 -5.167 -0.816) 6.142 10.859 ( 3.220 -5.167 0.816) 6.142 10.937 ( 3.617 -0.035 -5.546) 6.622 10.937 ( 3.617 -0.035 5.546) 6.622 11.218 ( 0.784 -0.996 -2.246) 2.579 11.218 ( 0.784 -0.996 2.246) 2.579 11.447 ( -3.812 5.606 -3.594) 7.673 11.447 ( -3.812 5.606 3.594) 7.673 11.732 ( -0.113 3.854 -0.429) 3.880 11.732 ( -0.113 3.854 0.429) 3.880 11.897 ( -9.782 4.280 -2.019) 10.866 11.897 ( -9.782 4.280 2.019) 10.866 12.734 ( 0.454 3.764 -0.882) 3.892 12.734 ( 0.454 3.764 0.882) 3.892 13.408 ( -1.749 -12.431 -1.915) 12.699 13.408 ( -1.749 -12.431 1.915) 12.699 13.915 ( 1.205 -15.053 -0.130) 15.102 13.915 ( 1.205 -15.053 0.130) 15.102 15.732 ( 1.705 -5.507 -0.855) 5.828 15.732 ( 1.705 -5.507 0.855) 5.828 15.919 ( -0.979 -5.296 -1.138) 5.505 15.919 ( -0.979 -5.296 1.138) 5.505 16.570 ( -0.449 -12.108 -0.515) 12.127 16.570 ( -0.449 -12.108 0.515) 12.127 16.846 ( 0.124 -12.722 -0.927) 12.756 16.846 ( 0.124 -12.722 0.927) 12.756 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.000 12.957 -2.626) 13.220 1.702 ( 0.000 12.957 2.626) 13.220 1.943 ( 0.000 16.883 -5.095) 17.635 1.943 ( 0.000 16.883 5.095) 17.635 2.318 ( 0.000 1.757 -4.191) 4.545 2.318 ( 0.000 1.757 4.191) 4.545 2.580 ( 0.000 2.573 -4.113) 4.851 2.580 ( 0.000 2.573 4.113) 4.851 2.772 ( 0.000 5.509 -2.878) 6.215 2.772 ( 0.000 5.509 2.878) 6.215 3.087 ( 0.000 19.955 -0.458) 19.960 3.087 ( 0.000 19.955 0.458) 19.960 3.203 ( 0.000 12.895 -7.446) 14.890 3.203 ( 0.000 12.895 7.446) 14.890 3.307 ( 0.000 14.099 -2.661) 14.348 3.307 ( 0.000 14.099 2.661) 14.348 3.316 ( 0.000 23.967 -3.089) 24.165 3.316 ( 0.000 23.967 3.089) 24.165 3.618 ( 0.000 9.213 -9.039) 12.907 3.618 ( 0.000 9.213 9.039) 12.907 3.702 ( 0.000 30.706 -12.358) 33.100 3.702 ( 0.000 30.706 12.358) 33.100 3.912 ( 0.000 11.972 -12.373) 17.217 3.912 ( 0.000 11.972 12.373) 17.217 4.153 ( 0.000 15.361 -6.645) 16.737 4.153 ( 0.000 15.361 6.645) 16.737 4.496 ( 0.000 12.730 -7.535) 14.793 4.496 ( 0.000 12.730 7.535) 14.793 4.612 ( 0.000 -2.859 -0.475) 2.898 4.612 ( 0.000 -2.859 0.475) 2.898 4.980 ( 0.000 3.796 -1.708) 4.163 4.980 ( 0.000 3.796 1.708) 4.163 5.061 ( 0.000 -4.452 -5.557) 7.121 5.061 ( 0.000 -4.452 5.557) 7.121 5.414 ( 0.000 -3.297 -4.261) 5.388 5.414 ( 0.000 -3.297 4.261) 5.388 6.442 ( 0.000 3.645 -0.328) 3.660 6.442 ( 0.000 3.645 0.328) 3.660 6.913 ( 0.000 -1.758 -0.650) 1.874 6.913 ( 0.000 -1.758 0.650) 1.874 7.556 ( 0.000 -0.590 -5.371) 5.403 7.556 ( 0.000 -0.590 5.371) 5.403 7.906 ( 0.000 -5.670 -4.985) 7.549 7.906 ( 0.000 -5.670 4.985) 7.549 8.459 ( 0.000 3.867 -0.442) 3.893 8.459 ( 0.000 3.867 0.442) 3.893 9.003 ( 0.000 4.445 -0.805) 4.517 9.003 ( 0.000 4.445 0.805) 4.517 9.390 ( 0.000 0.341 -1.084) 1.137 9.390 ( 0.000 0.341 1.084) 1.137 9.705 ( 0.000 0.475 -8.057) 8.071 9.705 ( 0.000 0.475 8.057) 8.071 9.829 ( 0.000 -11.239 -4.004) 11.931 9.829 ( 0.000 -11.239 4.004) 11.931 9.962 ( 0.000 -3.594 -1.086) 3.755 9.962 ( 0.000 -3.594 1.086) 3.755 10.141 ( 0.000 6.869 -4.533) 8.230 10.141 ( 0.000 6.869 4.533) 8.230 10.937 ( 0.000 19.273 -3.605) 19.607 10.937 ( 0.000 19.273 3.605) 19.607 11.090 ( 0.000 15.503 -2.380) 15.685 11.090 ( 0.000 15.503 2.380) 15.685 11.520 ( 0.000 3.178 -1.114) 3.368 11.520 ( 0.000 3.178 1.114) 3.368 11.606 ( 0.000 4.955 -9.874) 11.048 11.606 ( 0.000 4.955 9.874) 11.048 11.768 ( 0.000 9.298 -3.266) 9.855 11.768 ( 0.000 9.298 3.266) 9.855 12.154 ( 0.000 -5.753 -4.265) 7.161 12.154 ( 0.000 -5.753 4.265) 7.161 12.712 ( 0.000 -7.136 -1.832) 7.368 12.712 ( 0.000 -7.136 1.832) 7.368 13.274 ( 0.000 -11.257 -8.427) 14.062 13.274 ( 0.000 -11.257 8.427) 14.062 13.515 ( 0.000 -17.599 -0.725) 17.614 13.515 ( 0.000 -17.599 0.725) 17.614 15.550 ( 0.000 -8.379 -2.860) 8.853 15.550 ( 0.000 -8.379 2.860) 8.853 15.818 ( 0.000 -4.276 -3.831) 5.741 15.818 ( 0.000 -4.276 3.831) 5.741 16.363 ( 0.000 -12.305 -0.186) 12.306 16.363 ( 0.000 -12.305 0.186) 12.306 16.527 ( 0.000 -16.803 -1.723) 16.891 16.527 ( 0.000 -16.803 1.723) 16.891 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 5.478 12.196 -5.055) 14.294 1.762 ( 5.478 12.196 5.055) 14.294 1.980 ( 4.291 14.277 -8.768) 17.295 1.980 ( 4.291 14.277 8.768) 17.295 2.239 ( -5.950 5.232 -0.545) 7.942 2.239 ( -5.950 5.232 0.545) 7.942 2.647 ( 1.469 3.859 -7.014) 8.139 2.647 ( 1.469 3.859 7.014) 8.139 2.830 ( 5.870 2.717 -3.611) 7.408 2.830 ( 5.870 2.717 3.611) 7.408 3.014 ( -2.595 14.249 -4.007) 15.027 3.014 ( -2.595 14.249 4.007) 15.027 3.184 ( -1.549 19.310 -3.478) 19.681 3.184 ( -1.549 19.310 3.478) 19.681 3.314 ( 0.438 21.935 -3.392) 22.200 3.314 ( 0.438 21.935 3.392) 22.200 3.336 ( -0.207 7.456 -6.648) 9.991 3.336 ( -0.207 7.456 6.648) 9.991 3.623 ( 0.869 12.609 -8.210) 15.071 3.623 ( 0.869 12.609 8.210) 15.071 3.740 ( 2.239 26.053 -12.394) 28.938 3.740 ( 2.239 26.053 12.394) 28.938 3.887 ( -1.618 13.723 -8.239) 16.088 3.887 ( -1.618 13.723 8.239) 16.088 4.054 ( -7.413 19.215 -4.874) 21.164 4.054 ( -7.413 19.215 4.874) 21.164 4.397 ( -9.151 17.223 -8.275) 21.186 4.397 ( -9.151 17.223 8.275) 21.186 4.684 ( 5.988 -1.404 -2.044) 6.481 4.684 ( 5.988 -1.404 2.044) 6.481 5.001 ( -1.461 -0.704 -0.577) 1.721 5.001 ( -1.461 -0.704 0.577) 1.721 5.064 ( 2.692 -0.716 -2.492) 3.738 5.064 ( 2.692 -0.716 2.492) 3.738 5.440 ( 2.309 -5.228 -3.277) 6.588 5.440 ( 2.309 -5.228 3.277) 6.588 6.465 ( 2.591 4.258 -2.885) 5.759 6.465 ( 2.591 4.258 2.885) 5.759 6.851 ( -5.908 -0.868 -5.367) 8.029 6.851 ( -5.908 -0.868 5.367) 8.029 7.579 ( 1.964 -2.587 -4.184) 5.297 7.579 ( 1.964 -2.587 4.184) 5.297 7.915 ( 0.835 -5.456 -4.166) 6.915 7.915 ( 0.835 -5.456 4.166) 6.915 8.526 ( 5.373 3.109 -0.435) 6.223 8.526 ( 5.373 3.109 0.435) 6.223 8.940 ( -4.441 3.848 -0.533) 5.901 8.940 ( -4.441 3.848 0.533) 5.901 9.487 ( 7.933 2.129 -1.214) 8.303 9.487 ( 7.933 2.129 1.214) 8.303 9.762 ( 6.519 0.254 -8.098) 10.399 9.762 ( 6.519 0.254 8.098) 10.399 9.889 ( 3.411 -4.328 -3.322) 6.435 9.889 ( 3.411 -4.328 3.322) 6.435 9.945 ( -0.629 -5.729 -3.557) 6.772 9.945 ( -0.629 -5.729 3.557) 6.772 10.127 ( -0.649 5.807 -2.670) 6.425 10.127 ( -0.649 5.807 2.670) 6.425 10.970 ( -1.404 11.600 -3.864) 12.307 10.970 ( -1.404 11.600 3.864) 12.307 11.037 ( -2.338 14.267 -6.288) 15.766 11.037 ( -2.338 14.267 6.288) 15.766 11.355 ( -8.540 4.963 -2.086) 10.095 11.355 ( -8.540 4.963 2.086) 10.095 11.602 ( -2.950 3.559 -4.945) 6.769 11.602 ( -2.950 3.559 4.945) 6.769 11.835 ( 3.888 9.697 -1.943) 10.627 11.835 ( 3.888 9.697 1.943) 10.627 12.127 ( -4.316 -0.463 -4.867) 6.521 12.127 ( -4.316 -0.463 4.867) 6.521 12.698 ( 0.531 -6.320 -1.259) 6.466 12.698 ( 0.531 -6.320 1.259) 6.466 13.219 ( -4.943 -12.660 -5.635) 14.712 13.219 ( -4.943 -12.660 5.635) 14.712 13.548 ( 2.437 -17.636 -0.887) 17.826 13.548 ( 2.437 -17.636 0.887) 17.826 15.565 ( 1.594 -7.802 -2.562) 8.365 15.565 ( 1.594 -7.802 2.562) 8.365 15.820 ( -0.020 -5.170 -3.353) 6.162 15.820 ( -0.020 -5.170 3.353) 6.162 16.344 ( -1.508 -12.489 -0.030) 12.580 16.344 ( -1.508 -12.489 0.030) 12.580 16.547 ( 1.640 -15.912 -1.773) 16.095 16.547 ( 1.640 -15.912 1.773) 16.095 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 4.896 10.281 -6.842) 13.284 1.874 ( 4.896 10.281 6.842) 13.284 2.054 ( -1.494 7.306 -8.670) 11.436 2.054 ( -1.494 7.306 8.670) 11.436 2.203 ( 6.905 12.537 -7.576) 16.195 2.203 ( 6.905 12.537 7.576) 16.195 2.512 ( -11.616 7.844 -10.278) 17.381 2.512 ( -11.616 7.844 10.278) 17.381 2.971 ( 7.258 1.629 -0.382) 7.448 2.971 ( 7.258 1.629 0.382) 7.448 3.085 ( 4.689 9.838 -3.308) 11.389 3.085 ( 4.689 9.838 3.308) 11.389 3.132 ( -3.460 13.848 -4.815) 15.064 3.132 ( -3.460 13.848 4.815) 15.064 3.301 ( -0.626 17.243 -1.432) 17.314 3.301 ( -0.626 17.243 1.432) 17.314 3.361 ( 4.950 8.837 -2.216) 10.369 3.361 ( 4.950 8.837 2.216) 10.369 3.542 ( -10.431 3.477 -2.664) 11.314 3.542 ( -10.431 3.477 2.664) 11.314 3.784 ( 4.457 22.166 -5.638) 23.302 3.784 ( 4.457 22.166 5.638) 23.302 3.879 ( -3.256 23.288 -4.639) 23.968 3.879 ( -3.256 23.288 4.639) 23.968 4.001 ( 5.733 26.221 -5.205) 27.341 4.001 ( 5.733 26.221 5.205) 27.341 4.188 ( -11.360 24.301 -9.001) 28.295 4.188 ( -11.360 24.301 9.001) 28.295 4.804 ( 5.799 -1.622 -2.634) 6.573 4.804 ( 5.799 -1.622 2.634) 6.573 4.927 ( -4.784 1.169 -2.200) 5.394 4.927 ( -4.784 1.169 2.200) 5.394 5.126 ( 2.074 -1.368 -0.307) 2.503 5.126 ( 2.074 -1.368 0.307) 2.503 5.481 ( 1.334 -7.796 -1.174) 7.996 5.481 ( 1.334 -7.796 1.174) 7.996 6.543 ( 4.805 5.376 -4.399) 8.447 6.543 ( 4.805 5.376 4.399) 8.447 6.718 ( -6.531 -0.091 -5.740) 8.695 6.718 ( -6.531 -0.091 5.740) 8.695 7.612 ( 1.002 -5.190 -1.554) 5.509 7.612 ( 1.002 -5.190 1.554) 5.509 7.934 ( 0.828 -5.419 -1.743) 5.752 7.934 ( 0.828 -5.419 1.743) 5.752 8.599 ( 1.441 3.152 -0.849) 3.569 8.599 ( 1.441 3.152 0.849) 3.569 8.888 ( -0.743 2.572 -0.849) 2.809 8.888 ( -0.743 2.572 0.849) 2.809 9.644 ( 7.458 3.848 -4.009) 9.300 9.644 ( 7.458 3.848 4.009) 9.300 9.834 ( -5.535 0.404 -4.120) 6.912 9.834 ( -5.535 0.404 4.120) 6.912 9.920 ( 6.823 -1.700 -3.304) 7.769 9.920 ( 6.823 -1.700 3.304) 7.769 9.991 ( 1.337 10.022 -4.334) 11.000 9.991 ( 1.337 10.022 4.334) 11.000 10.158 ( 3.594 -4.043 -3.845) 6.637 10.158 ( 3.594 -4.043 3.845) 6.637 10.779 ( -9.923 -4.528 -4.044) 11.633 10.779 ( -9.923 -4.528 4.044) 11.633 11.101 ( 3.428 13.991 -1.747) 14.511 11.101 ( 3.428 13.991 1.747) 14.511 11.246 ( -3.627 2.849 -1.032) 4.726 11.246 ( -3.627 2.849 1.032) 4.726 11.605 ( 5.117 8.351 -2.183) 10.035 11.605 ( 5.117 8.351 2.183) 10.035 11.805 ( -7.984 5.518 -0.593) 9.723 11.805 ( -7.984 5.518 0.593) 9.723 12.031 ( -2.267 9.059 -1.907) 9.531 12.031 ( -2.267 9.059 1.907) 9.531 12.753 ( 3.351 -2.247 -0.577) 4.076 12.753 ( 3.351 -2.247 0.577) 4.076 13.120 ( -3.937 -16.079 -1.902) 16.663 13.120 ( -3.937 -16.079 1.902) 16.663 13.584 ( 1.011 -18.132 -0.528) 18.168 13.584 ( 1.011 -18.132 0.528) 18.168 15.602 ( 1.612 -7.565 -1.263) 7.837 15.602 ( 1.612 -7.565 1.263) 7.837 15.811 ( -0.689 -5.691 -1.540) 5.935 15.811 ( -0.689 -5.691 1.540) 5.935 16.320 ( -0.688 -12.856 -0.058) 12.874 16.320 ( -0.688 -12.856 0.058) 12.874 16.574 ( 0.823 -14.669 -0.855) 14.717 16.574 ( 0.823 -14.669 0.855) 14.717 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 11.413 -0.908) 11.449 1.942 ( 0.000 11.413 0.908) 11.449 2.248 ( 0.000 13.194 -4.721) 14.013 2.248 ( 0.000 13.194 4.721) 14.013 2.354 ( 0.000 2.540 -2.841) 3.811 2.354 ( 0.000 2.540 2.841) 3.811 2.615 ( 0.000 1.332 -3.343) 3.598 2.615 ( 0.000 1.332 3.343) 3.598 2.900 ( 0.000 7.566 -2.059) 7.841 2.900 ( 0.000 7.566 2.059) 7.841 3.268 ( 0.000 0.142 -10.648) 10.648 3.268 ( 0.000 0.142 10.648) 10.648 3.361 ( 0.000 7.583 -5.502) 9.369 3.361 ( 0.000 7.583 5.502) 9.369 3.557 ( 0.000 9.922 -4.197) 10.773 3.557 ( 0.000 9.922 4.197) 10.773 3.739 ( 0.000 10.090 -6.486) 11.995 3.739 ( 0.000 10.090 6.486) 11.995 3.807 ( 0.000 17.031 -6.647) 18.282 3.807 ( 0.000 17.031 6.647) 18.282 3.953 ( 0.000 -2.047 -12.307) 12.476 3.953 ( 0.000 -2.047 12.307) 12.476 4.330 ( 0.000 29.966 -10.577) 31.778 4.330 ( 0.000 29.966 10.577) 31.778 4.471 ( 0.000 6.303 -3.663) 7.290 4.471 ( 0.000 6.303 3.663) 7.290 4.598 ( 0.000 4.573 -6.408) 7.873 4.598 ( 0.000 4.573 6.408) 7.873 4.802 ( 0.000 13.922 -0.971) 13.956 4.802 ( 0.000 13.922 0.971) 13.956 4.955 ( 0.000 3.196 -2.740) 4.210 4.955 ( 0.000 3.196 2.740) 4.210 5.217 ( 0.000 15.171 -1.926) 15.293 5.217 ( 0.000 15.171 1.926) 15.293 5.396 ( 0.000 3.453 -4.987) 6.066 5.396 ( 0.000 3.453 4.987) 6.066 6.538 ( 0.000 5.872 -0.183) 5.874 6.538 ( 0.000 5.872 0.183) 5.874 6.903 ( 0.000 0.674 -1.618) 1.752 6.903 ( 0.000 0.674 1.618) 1.752 7.525 ( 0.000 -3.469 -3.402) 4.859 7.525 ( 0.000 -3.469 3.402) 4.859 7.729 ( 0.000 -11.986 -8.488) 14.687 7.729 ( 0.000 -11.986 8.488) 14.687 8.565 ( 0.000 6.858 -0.098) 6.859 8.565 ( 0.000 6.858 0.098) 6.859 9.019 ( 0.000 -0.747 -1.048) 1.287 9.019 ( 0.000 -0.747 1.048) 1.287 9.364 ( 0.000 -2.773 -1.834) 3.325 9.364 ( 0.000 -2.773 1.834) 3.325 9.616 ( 0.000 -5.692 -5.449) 7.880 9.616 ( 0.000 -5.692 5.449) 7.880 9.660 ( 0.000 -4.347 -5.263) 6.826 9.660 ( 0.000 -4.347 5.263) 6.826 9.982 ( 0.000 4.147 -0.690) 4.204 9.982 ( 0.000 4.147 0.690) 4.204 10.363 ( 0.000 13.672 -2.297) 13.864 10.363 ( 0.000 13.672 2.297) 13.864 11.236 ( 0.000 8.703 -6.726) 10.999 11.236 ( 0.000 8.703 6.726) 10.999 11.360 ( 0.000 10.075 -2.945) 10.496 11.360 ( 0.000 10.075 2.945) 10.496 11.573 ( 0.000 1.923 -2.168) 2.898 11.573 ( 0.000 1.923 2.168) 2.898 11.660 ( 0.000 2.344 -14.126) 14.319 11.660 ( 0.000 2.344 14.126) 14.319 11.960 ( 0.000 1.939 -0.491) 2.001 11.960 ( 0.000 1.939 0.491) 2.001 12.038 ( 0.000 1.250 -0.545) 1.363 12.038 ( 0.000 1.250 0.545) 1.363 12.556 ( 0.000 -6.892 -3.712) 7.828 12.556 ( 0.000 -6.892 3.712) 7.828 13.054 ( 0.000 -11.668 -6.629) 13.420 13.054 ( 0.000 -11.668 6.629) 13.420 13.200 ( 0.000 -13.769 -0.537) 13.780 13.200 ( 0.000 -13.769 0.537) 13.780 15.389 ( 0.000 -7.861 -4.959) 9.295 15.389 ( 0.000 -7.861 4.959) 9.295 15.735 ( 0.000 -4.453 -5.361) 6.970 15.735 ( 0.000 -4.453 5.361) 6.970 16.124 ( 0.000 -13.411 -2.367) 13.618 16.124 ( 0.000 -13.411 2.367) 13.618 16.217 ( 0.000 -13.272 -1.646) 13.374 16.217 ( 0.000 -13.272 1.646) 13.374 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 3.947 10.486 -1.695) 11.332 1.985 ( 3.947 10.486 1.695) 11.332 2.219 ( -2.007 9.017 -6.822) 11.484 2.219 ( -2.007 9.017 6.822) 11.484 2.354 ( 0.724 7.004 -2.057) 7.336 2.354 ( 0.724 7.004 2.057) 7.336 2.684 ( 3.660 0.479 -7.082) 7.986 2.684 ( 3.660 0.479 7.082) 7.986 2.913 ( 1.207 5.896 -3.626) 7.026 2.913 ( 1.207 5.896 3.626) 7.026 3.183 ( -3.331 4.263 -8.688) 10.235 3.183 ( -3.331 4.263 8.688) 10.235 3.337 ( -5.079 2.371 -10.400) 11.814 3.337 ( -5.079 2.371 10.400) 11.814 3.550 ( 0.410 10.766 -3.519) 11.334 3.550 ( 0.410 10.766 3.519) 11.334 3.725 ( -2.260 9.972 -4.345) 11.110 3.725 ( -2.260 9.972 4.345) 11.110 3.788 ( -2.937 15.077 -4.940) 16.135 3.788 ( -2.937 15.077 4.940) 16.135 3.990 ( 4.372 4.251 -1.843) 6.370 3.990 ( 4.372 4.251 1.843) 6.370 4.351 ( 0.042 22.172 -6.654) 23.149 4.351 ( 0.042 22.172 6.654) 23.149 4.406 ( -3.002 12.099 -3.765) 13.022 4.406 ( -3.002 12.099 3.765) 13.022 4.608 ( 0.482 7.062 -2.701) 7.576 4.608 ( 0.482 7.062 2.701) 7.576 4.837 ( 2.434 14.338 -2.225) 14.712 4.837 ( 2.434 14.338 2.225) 14.712 4.980 ( 1.932 2.862 -4.434) 5.620 4.980 ( 1.932 2.862 4.434) 5.620 5.210 ( -0.285 14.061 -0.867) 14.090 5.210 ( -0.285 14.061 0.867) 14.090 5.388 ( -0.695 2.514 -4.375) 5.093 5.388 ( -0.695 2.514 4.375) 5.093 6.563 ( 2.600 5.407 -1.365) 6.153 6.563 ( 2.600 5.407 1.365) 6.153 6.857 ( -4.409 1.502 -3.648) 5.917 6.857 ( -4.409 1.502 3.648) 5.917 7.509 ( -1.045 -5.305 -2.066) 5.788 7.509 ( -1.045 -5.305 2.066) 5.788 7.758 ( 2.334 -10.040 -5.863) 11.858 7.758 ( 2.334 -10.040 5.863) 11.858 8.608 ( 3.536 5.424 -1.496) 6.645 8.608 ( 3.536 5.424 1.496) 6.645 8.963 ( -4.002 0.365 -2.269) 4.615 8.963 ( -4.002 0.365 2.269) 4.615 9.469 ( 9.130 -3.918 -4.928) 11.090 9.469 ( 9.130 -3.918 4.928) 11.090 9.677 ( 2.312 -4.543 -5.852) 7.761 9.677 ( 2.312 -4.543 5.852) 7.761 9.746 ( 11.078 -4.962 -1.442) 12.224 9.746 ( 11.078 -4.962 1.442) 12.224 9.987 ( 1.225 5.581 -1.564) 5.924 9.987 ( 1.225 5.581 1.564) 5.924 10.352 ( -1.128 13.824 -2.204) 14.044 10.352 ( -1.128 13.824 2.204) 14.044 11.044 ( -18.896 -2.616 -8.220) 20.772 11.044 ( -18.896 -2.616 8.220) 20.772 11.323 ( -1.426 11.710 -2.975) 12.166 11.323 ( -1.426 11.710 2.975) 12.166 11.486 ( -7.061 5.797 -4.363) 10.125 11.486 ( -7.061 5.797 4.363) 10.125 11.653 ( 0.311 3.566 -6.663) 7.563 11.653 ( 0.311 3.566 6.663) 7.563 12.019 ( 3.043 4.418 -1.905) 5.693 12.019 ( 3.043 4.418 1.905) 5.693 12.142 ( 6.738 4.557 -3.302) 8.779 12.142 ( 6.738 4.557 3.302) 8.779 12.529 ( -0.187 -8.551 -1.382) 8.664 12.529 ( -0.187 -8.551 1.382) 8.664 12.991 ( -5.966 -10.864 -4.397) 13.151 12.991 ( -5.966 -10.864 4.397) 13.151 13.221 ( 1.475 -15.098 -1.228) 15.220 13.221 ( 1.475 -15.098 1.228) 15.220 15.410 ( 1.878 -7.925 -4.226) 9.176 15.410 ( 1.878 -7.925 4.226) 9.176 15.716 ( -1.605 -5.881 -4.359) 7.494 15.716 ( -1.605 -5.881 4.359) 7.494 16.113 ( -1.141 -11.523 -2.150) 11.777 16.113 ( -1.141 -11.523 2.150) 11.777 16.249 ( 2.828 -13.713 -2.283) 14.186 16.249 ( 2.828 -13.713 2.283) 14.186 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 2.780 8.701 -3.464) 9.769 2.061 ( 2.780 8.701 3.464) 9.769 2.188 ( -1.117 6.380 -6.276) 9.019 2.188 ( -1.117 6.380 6.276) 9.019 2.422 ( 6.940 9.055 -4.839) 12.392 2.422 ( 6.940 9.055 4.839) 12.392 2.613 ( -9.549 3.211 -9.985) 14.184 2.613 ( -9.549 3.211 9.985) 14.184 2.985 ( 5.322 1.285 -0.909) 5.550 2.985 ( 5.322 1.285 0.909) 5.550 3.194 ( -4.271 3.754 -3.827) 6.854 3.194 ( -4.271 3.754 3.827) 6.854 3.252 ( 4.856 2.153 -3.805) 6.534 3.252 ( 4.856 2.153 3.805) 6.534 3.512 ( -5.628 5.083 -2.443) 7.967 3.512 ( -5.628 5.083 2.443) 7.967 3.672 ( -1.154 13.042 -4.344) 13.795 3.672 ( -1.154 13.042 4.344) 13.795 3.730 ( -1.924 18.644 -3.377) 19.045 3.730 ( -1.924 18.644 3.377) 19.045 4.106 ( 6.849 8.625 -6.587) 12.834 4.106 ( 6.849 8.625 6.587) 12.834 4.246 ( -7.148 10.934 -6.927) 14.786 4.246 ( -7.148 10.934 6.927) 14.786 4.452 ( 3.184 14.411 -3.129) 15.087 4.452 ( 3.184 14.411 3.129) 15.087 4.610 ( -0.295 20.490 -0.249) 20.494 4.610 ( -0.295 20.490 0.249) 20.494 4.860 ( 0.080 10.857 -1.779) 11.002 4.860 ( 0.080 10.857 1.779) 11.002 5.010 ( 0.942 4.253 -2.858) 5.210 5.010 ( 0.942 4.253 2.858) 5.210 5.214 ( 0.420 12.116 -0.304) 12.128 5.214 ( 0.420 12.116 0.304) 12.128 5.375 ( -0.502 0.612 -1.957) 2.111 5.375 ( -0.502 0.612 1.957) 2.111 6.636 ( 4.743 3.522 -2.692) 6.492 6.636 ( 4.743 3.522 2.692) 6.492 6.752 ( -5.795 3.776 -3.914) 7.947 6.752 ( -5.795 3.776 3.914) 7.947 7.497 ( -0.232 -6.726 -0.782) 6.775 7.497 ( -0.232 -6.726 0.782) 6.775 7.795 ( 1.135 -8.598 -1.972) 8.894 7.795 ( 1.135 -8.598 1.972) 8.894 8.661 ( 1.352 3.915 -1.720) 4.485 8.661 ( 1.352 3.915 1.720) 4.485 8.911 ( -1.136 1.263 -1.953) 2.588 8.911 ( -1.136 1.263 1.953) 2.588 9.632 ( 5.544 -6.347 -8.781) 12.170 9.632 ( 5.544 -6.347 8.781) 12.170 9.716 ( 0.703 -2.767 -7.180) 7.726 9.716 ( 0.703 -2.767 7.180) 7.726 9.954 ( 7.618 -2.240 -3.600) 8.718 9.954 ( 7.618 -2.240 3.600) 8.718 10.092 ( 9.296 7.169 -3.683) 12.303 10.092 ( 9.296 7.169 3.683) 12.303 10.317 ( -2.497 13.394 -1.878) 13.754 10.317 ( -2.497 13.394 1.878) 13.754 10.666 ( -15.818 -6.392 -5.538) 17.937 10.666 ( -15.818 -6.392 5.538) 17.937 11.229 ( -6.550 -1.480 -1.028) 6.793 11.229 ( -6.550 -1.480 1.028) 6.793 11.390 ( -1.070 10.469 -1.357) 10.611 11.390 ( -1.070 10.469 1.357) 10.611 11.745 ( 7.533 6.452 -3.208) 10.425 11.745 ( 7.533 6.452 3.208) 10.425 11.961 ( -7.531 8.742 -0.741) 11.562 11.961 ( -7.531 8.742 0.741) 11.562 12.224 ( 1.852 9.762 -1.945) 10.125 12.224 ( 1.852 9.762 1.945) 10.125 12.631 ( 9.176 -9.637 -1.363) 13.377 12.631 ( 9.176 -9.637 1.363) 13.377 12.840 ( -9.062 -11.602 -2.037) 14.862 12.840 ( -9.062 -11.602 2.037) 14.862 13.241 ( 0.547 -16.222 -0.629) 16.244 13.241 ( 0.547 -16.222 0.629) 16.244 15.445 ( 1.280 -8.357 -1.812) 8.646 15.445 ( 1.280 -8.357 1.812) 8.646 15.690 ( -0.820 -7.112 -1.773) 7.375 15.690 ( -0.820 -7.112 1.773) 7.375 16.090 ( -0.810 -10.477 -0.792) 10.538 16.090 ( -0.810 -10.477 0.792) 10.538 16.297 ( 1.552 -13.174 -0.997) 13.303 16.297 ( 1.552 -13.174 0.997) 13.303 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 8.574 -0.967) 8.628 2.139 ( 0.000 8.574 0.967) 8.628 2.363 ( 0.000 1.825 -2.195) 2.855 2.363 ( 0.000 1.825 2.195) 2.855 2.484 ( 0.000 7.084 -3.935) 8.104 2.484 ( 0.000 7.084 3.935) 8.104 2.643 ( 0.000 1.764 -1.670) 2.430 2.643 ( 0.000 1.764 1.670) 2.430 3.062 ( 0.000 8.858 -2.486) 9.200 3.062 ( 0.000 8.858 2.486) 9.200 3.283 ( 0.000 2.082 -8.186) 8.447 3.283 ( 0.000 2.082 8.186) 8.447 3.426 ( 0.000 0.520 -8.473) 8.489 3.426 ( 0.000 0.520 8.473) 8.489 3.664 ( 0.000 1.711 -6.337) 6.564 3.664 ( 0.000 1.711 6.337) 6.564 3.814 ( 0.000 -1.559 -9.685) 9.810 3.814 ( 0.000 -1.559 9.685) 9.810 3.912 ( 0.000 0.034 -10.414) 10.414 3.912 ( 0.000 0.034 10.414) 10.414 4.120 ( 0.000 11.204 -4.602) 12.112 4.120 ( 0.000 11.204 4.602) 12.112 4.482 ( 0.000 -2.378 -4.301) 4.914 4.482 ( 0.000 -2.378 4.301) 4.914 4.573 ( 0.000 -3.516 -3.462) 4.934 4.573 ( 0.000 -3.516 3.462) 4.934 4.776 ( 0.000 10.601 -1.905) 10.771 4.776 ( 0.000 10.601 1.905) 10.771 5.023 ( 0.000 16.153 -2.122) 16.292 5.023 ( 0.000 16.153 2.122) 16.292 5.249 ( 0.000 19.278 -2.307) 19.416 5.249 ( 0.000 19.278 2.307) 19.416 5.540 ( 0.000 16.027 -2.567) 16.231 5.540 ( 0.000 16.027 2.567) 16.231 5.595 ( 0.000 15.636 -1.335) 15.693 5.595 ( 0.000 15.636 1.335) 15.693 6.644 ( 0.000 3.973 -0.675) 4.030 6.644 ( 0.000 3.973 0.675) 4.030 6.939 ( 0.000 2.910 -2.042) 3.555 6.939 ( 0.000 2.910 2.042) 3.555 7.343 ( 0.000 -14.650 -5.141) 15.526 7.343 ( 0.000 -14.650 5.141) 15.526 7.547 ( 0.000 -5.316 -5.981) 8.003 7.547 ( 0.000 -5.316 5.981) 8.003 8.711 ( 0.000 7.542 -1.671) 7.725 8.711 ( 0.000 7.542 1.671) 7.725 9.026 ( 0.000 1.489 -0.424) 1.548 9.026 ( 0.000 1.489 0.424) 1.548 9.297 ( 0.000 -3.148 -0.029) 3.148 9.297 ( 0.000 -3.148 0.029) 3.148 9.574 ( 0.000 -0.653 -1.705) 1.826 9.574 ( 0.000 -0.653 1.705) 1.826 9.635 ( 0.000 3.863 -5.744) 6.922 9.635 ( 0.000 3.863 5.744) 6.922 10.107 ( 0.000 8.021 -3.879) 8.910 10.107 ( 0.000 8.021 3.879) 8.910 10.626 ( 0.000 12.399 -3.602) 12.912 10.626 ( 0.000 12.399 3.602) 12.912 11.156 ( 0.000 -13.890 -10.055) 17.147 11.156 ( 0.000 -13.890 10.055) 17.147 11.471 ( 0.000 -0.015 -3.818) 3.818 11.471 ( 0.000 -0.015 3.818) 3.818 11.642 ( 0.000 6.450 -5.684) 8.597 11.642 ( 0.000 6.450 5.684) 8.597 11.740 ( 0.000 4.782 -12.345) 13.239 11.740 ( 0.000 4.782 12.345) 13.239 11.845 ( 0.000 -5.664 -5.803) 8.109 11.845 ( 0.000 -5.664 5.803) 8.109 12.172 ( 0.000 2.759 -0.843) 2.885 12.172 ( 0.000 2.759 0.843) 2.885 12.483 ( 0.000 -0.507 -2.257) 2.314 12.483 ( 0.000 -0.507 2.257) 2.314 12.854 ( 0.000 -6.769 -3.213) 7.493 12.854 ( 0.000 -6.769 3.213) 7.493 12.980 ( 0.000 -9.597 -0.195) 9.599 12.980 ( 0.000 -9.597 0.195) 9.599 15.252 ( 0.000 -6.002 -6.244) 8.661 15.252 ( 0.000 -6.002 6.244) 8.661 15.638 ( 0.000 -5.643 -5.971) 8.215 15.638 ( 0.000 -5.643 5.971) 8.215 15.830 ( 0.000 -15.136 -3.062) 15.443 15.830 ( 0.000 -15.136 3.062) 15.443 16.036 ( 0.000 -6.570 -0.023) 6.570 16.036 ( 0.000 -6.570 0.023) 6.570 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 2.384 7.886 -0.903) 8.288 2.165 ( 2.384 7.886 0.903) 8.288 2.329 ( -2.423 3.518 -3.594) 5.583 2.329 ( -2.423 3.518 3.594) 5.583 2.490 ( 0.929 5.536 -1.723) 5.872 2.490 ( 0.929 5.536 1.723) 5.872 2.679 ( 1.575 -0.782 -5.068) 5.365 2.679 ( 1.575 -0.782 5.068) 5.365 3.056 ( -1.037 8.445 -1.657) 8.668 3.056 ( -1.037 8.445 1.657) 8.668 3.241 ( -0.283 2.960 -7.084) 7.682 3.241 ( -0.283 2.960 7.084) 7.682 3.384 ( -5.574 2.728 -8.832) 10.795 3.384 ( -5.574 2.728 8.832) 10.795 3.653 ( -0.401 2.040 -4.358) 4.828 3.653 ( -0.401 2.040 4.358) 4.828 3.816 ( 0.429 0.188 -11.928) 11.938 3.816 ( 0.429 0.188 11.928) 11.938 4.000 ( 5.999 1.009 -5.443) 8.163 4.000 ( 5.999 1.009 5.443) 8.163 4.086 ( -2.511 7.268 -5.713) 9.580 4.086 ( -2.511 7.268 5.713) 9.580 4.425 ( -3.023 1.311 -1.732) 3.722 4.425 ( -3.023 1.311 1.732) 3.722 4.588 ( -0.946 -0.094 -3.001) 3.148 4.588 ( -0.946 -0.094 3.001) 3.148 4.818 ( 4.049 3.879 -1.176) 5.730 4.818 ( 4.049 3.879 1.176) 5.730 5.033 ( 1.406 16.624 -3.210) 16.989 5.033 ( 1.406 16.624 3.210) 16.989 5.243 ( -1.238 17.978 -3.114) 18.288 5.243 ( -1.238 17.978 3.114) 18.288 5.541 ( 0.293 17.381 -2.099) 17.510 5.541 ( 0.293 17.381 2.099) 17.510 5.589 ( -0.508 16.000 -1.239) 16.056 5.589 ( -0.508 16.000 1.239) 16.056 6.655 ( 1.160 3.449 -0.687) 3.703 6.655 ( 1.160 3.449 0.687) 3.703 6.902 ( -3.377 2.582 -1.952) 4.678 6.902 ( -3.377 2.582 1.952) 4.678 7.345 ( 0.340 -10.904 -3.574) 11.479 7.345 ( 0.340 -10.904 3.574) 11.479 7.579 ( 2.507 -7.365 -4.048) 8.770 7.579 ( 2.507 -7.365 4.048) 8.770 8.734 ( 1.920 7.242 -3.218) 8.153 8.734 ( 1.920 7.242 3.218) 8.153 8.997 ( -2.078 3.246 -4.261) 5.745 8.997 ( -2.078 3.246 4.261) 5.745 9.375 ( 7.556 -4.703 -3.926) 9.728 9.375 ( 7.556 -4.703 3.926) 9.728 9.602 ( 2.056 -2.713 -0.897) 3.521 9.602 ( 2.056 -2.713 0.897) 3.521 9.746 ( 10.046 4.275 -3.717) 11.533 9.746 ( 10.046 4.275 3.717) 11.533 10.126 ( 2.762 7.663 -4.089) 9.114 10.126 ( 2.762 7.663 4.089) 9.114 10.600 ( -3.369 9.823 -5.135) 11.585 10.600 ( -3.369 9.823 5.135) 11.585 10.918 ( -17.953 -7.720 -7.145) 20.808 10.918 ( -17.953 -7.720 7.145) 20.808 11.461 ( -8.668 2.573 -6.603) 11.196 11.461 ( -8.668 2.573 6.603) 11.196 11.531 ( -5.012 0.177 -4.324) 6.622 11.531 ( -5.012 0.177 4.324) 6.622 11.760 ( 3.415 5.666 -7.894) 10.300 11.760 ( 3.415 5.666 7.894) 10.300 11.958 ( 9.150 -6.051 -3.398) 11.485 11.958 ( 9.150 -6.051 3.398) 11.485 12.274 ( 7.038 3.329 -5.766) 9.688 12.274 ( 7.038 3.329 5.766) 9.688 12.445 ( -2.537 0.235 -1.040) 2.752 12.445 ( -2.537 0.235 1.040) 2.752 12.811 ( -4.570 -5.916 -2.264) 7.811 12.811 ( -4.570 -5.916 2.264) 7.811 12.973 ( -0.505 -10.735 -0.455) 10.756 12.973 ( -0.505 -10.735 0.455) 10.756 15.265 ( 1.182 -6.655 -4.925) 8.363 15.265 ( 1.182 -6.655 4.925) 8.363 15.582 ( -3.887 -8.016 -3.911) 9.729 15.582 ( -3.887 -8.016 3.911) 9.729 15.883 ( 3.222 -11.488 -4.579) 12.780 15.883 ( 3.222 -11.488 4.579) 12.780 16.045 ( 1.181 -7.414 -2.474) 7.904 16.045 ( 1.181 -7.414 2.474) 7.904 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 1.507 6.487 -1.297) 6.785 2.209 ( 1.507 6.487 1.297) 6.785 2.297 ( -0.802 4.687 -3.688) 6.018 2.297 ( -0.802 4.687 3.688) 6.018 2.531 ( 3.391 2.351 -1.322) 4.333 2.531 ( 3.391 2.351 1.322) 4.333 2.647 ( -4.257 0.128 -5.635) 7.063 2.647 ( -4.257 0.128 5.635) 7.063 3.046 ( 0.574 4.933 -0.754) 5.023 3.046 ( 0.574 4.933 0.754) 5.023 3.255 ( -3.796 3.521 -5.234) 7.362 3.255 ( -3.796 3.521 5.234) 7.362 3.329 ( 5.069 6.058 -4.519) 9.100 3.329 ( 5.069 6.058 4.519) 9.100 3.591 ( -5.177 3.803 -1.202) 6.535 3.591 ( -5.177 3.803 1.202) 6.535 3.852 ( 2.336 3.401 -8.043) 9.040 3.852 ( 2.336 3.401 8.043) 9.040 3.987 ( -3.028 4.459 -5.867) 7.967 3.987 ( -3.028 4.459 5.867) 7.967 4.153 ( 5.248 0.187 -1.140) 5.373 4.153 ( 5.248 0.187 1.140) 5.373 4.370 ( -3.004 5.175 -0.448) 6.000 4.370 ( -3.004 5.175 0.448) 6.000 4.559 ( -0.845 1.697 -1.659) 2.519 4.559 ( -0.845 1.697 1.659) 2.519 4.889 ( 2.257 -3.229 -0.108) 3.941 4.889 ( 2.257 -3.229 0.108) 3.941 5.086 ( 3.934 17.226 -4.080) 18.134 5.086 ( 3.934 17.226 4.080) 18.134 5.188 ( -4.120 17.146 -4.033) 18.089 5.188 ( -4.120 17.146 4.033) 18.089 5.551 ( 0.442 19.258 -0.889) 19.283 5.551 ( 0.442 19.258 0.889) 19.283 5.581 ( -0.257 16.558 -0.543) 16.569 5.581 ( -0.257 16.558 0.543) 16.569 6.683 ( 1.314 1.757 -0.430) 2.235 6.683 ( 1.314 1.757 0.430) 2.235 6.836 ( -2.549 3.631 -0.934) 4.534 6.836 ( -2.549 3.631 0.934) 4.534 7.354 ( 0.432 -7.362 -1.278) 7.484 7.354 ( 0.432 -7.362 1.278) 7.484 7.618 ( 1.155 -9.052 -1.327) 9.221 7.618 ( 1.155 -9.052 1.327) 9.221 8.767 ( 1.083 7.040 -2.804) 7.654 8.767 ( 1.083 7.040 2.804) 7.654 8.965 ( -1.058 4.331 -3.648) 5.760 8.965 ( -1.058 4.331 3.648) 5.760 9.528 ( 4.862 -2.805 -5.835) 8.097 9.528 ( 4.862 -2.805 5.835) 8.097 9.677 ( 6.274 -3.238 -4.748) 8.508 9.677 ( 6.274 -3.238 4.748) 8.508 9.881 ( 1.531 -2.566 -2.036) 3.616 9.881 ( 1.531 -2.566 2.036) 3.616 10.266 ( 10.296 3.781 -4.024) 11.684 10.266 ( 10.296 3.781 4.024) 11.684 10.458 ( -8.873 3.391 -3.979) 10.298 10.458 ( -8.873 3.391 3.979) 10.298 10.639 ( -9.338 5.214 -1.398) 10.786 10.639 ( -9.338 5.214 1.398) 10.786 11.214 ( -9.629 2.634 -1.008) 10.034 11.214 ( -9.629 2.634 1.008) 10.034 11.509 ( -0.276 0.831 -0.114) 0.883 11.509 ( -0.276 0.831 0.114) 0.883 11.844 ( 3.844 2.865 -3.824) 6.132 11.844 ( 3.844 2.865 3.824) 6.132 12.068 ( 1.117 0.730 -0.525) 1.434 12.068 ( 1.117 0.730 0.525) 1.434 12.333 ( 0.028 -0.665 -2.307) 2.401 12.333 ( 0.028 -0.665 2.307) 2.401 12.503 ( 8.283 -0.642 -2.239) 8.605 12.503 ( 8.283 -0.642 2.239) 8.605 12.680 ( -8.451 -3.396 -1.090) 9.173 12.680 ( -8.451 -3.396 1.090) 9.173 12.967 ( -0.126 -12.088 -0.248) 12.091 12.967 ( -0.126 -12.088 0.248) 12.091 15.287 ( 0.711 -7.639 -1.800) 7.880 15.287 ( 0.711 -7.639 1.800) 7.880 15.527 ( -1.477 -9.498 -1.282) 9.698 15.527 ( -1.477 -9.498 1.282) 9.698 15.916 ( 0.510 -7.392 -2.131) 7.710 15.916 ( 0.510 -7.392 2.131) 7.710 16.076 ( 1.301 -9.388 -1.355) 9.575 16.076 ( 1.301 -9.388 1.355) 9.575 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 4.451 -1.317) 4.642 2.268 ( 0.000 4.451 1.317) 4.642 2.398 ( 0.000 1.962 -3.058) 3.633 2.398 ( 0.000 1.962 3.058) 3.633 2.564 ( 0.000 2.078 -3.896) 4.415 2.564 ( 0.000 2.078 3.896) 4.415 2.675 ( 0.000 1.058 -3.939) 4.078 2.675 ( 0.000 1.058 3.939) 4.078 3.226 ( 0.000 6.857 -3.181) 7.558 3.226 ( 0.000 6.857 3.181) 7.558 3.360 ( 0.000 5.889 -6.679) 8.905 3.360 ( 0.000 5.889 6.679) 8.905 3.420 ( 0.000 -0.290 -7.433) 7.438 3.420 ( 0.000 -0.290 7.433) 7.438 3.662 ( 0.000 -1.232 -3.654) 3.856 3.662 ( 0.000 -1.232 3.654) 3.856 3.737 ( 0.000 -4.335 -4.502) 6.250 3.737 ( 0.000 -4.335 4.502) 6.250 3.950 ( 0.000 3.338 -4.545) 5.639 3.950 ( 0.000 3.338 4.545) 5.639 4.151 ( 0.000 -6.871 -2.664) 7.370 4.151 ( 0.000 -6.871 2.664) 7.370 4.428 ( 0.000 -5.283 -1.155) 5.408 4.428 ( 0.000 -5.283 1.155) 5.408 4.545 ( 0.000 2.859 -3.220) 4.306 4.545 ( 0.000 2.859 3.220) 4.306 4.896 ( 0.000 5.108 -0.009) 5.108 4.896 ( 0.000 5.108 0.009) 5.108 5.370 ( 0.000 15.604 -2.022) 15.734 5.370 ( 0.000 15.604 2.022) 15.734 5.567 ( 0.000 12.418 -2.095) 12.594 5.567 ( 0.000 12.418 2.095) 12.594 5.821 ( 0.000 12.397 -1.879) 12.539 5.821 ( 0.000 12.397 1.879) 12.539 5.893 ( 0.000 13.081 -0.384) 13.086 5.893 ( 0.000 13.081 0.384) 13.086 6.650 ( 0.000 -3.895 -0.219) 3.901 6.650 ( 0.000 -3.895 0.219) 3.901 6.970 ( 0.000 -2.033 -1.726) 2.667 6.970 ( 0.000 -2.033 1.726) 2.667 7.142 ( 0.000 -1.576 -2.246) 2.744 7.142 ( 0.000 -1.576 2.246) 2.744 7.459 ( 0.000 -4.293 -5.192) 6.737 7.459 ( 0.000 -4.293 5.192) 6.737 8.831 ( 0.000 4.130 -1.815) 4.511 8.831 ( 0.000 4.130 1.815) 4.511 9.056 ( 0.000 1.281 -3.082) 3.337 9.056 ( 0.000 1.281 3.082) 3.337 9.268 ( 0.000 0.667 -4.035) 4.090 9.268 ( 0.000 0.667 4.035) 4.090 9.625 ( 0.000 5.330 -3.718) 6.499 9.625 ( 0.000 5.330 3.718) 6.499 9.757 ( 0.000 7.615 -2.752) 8.097 9.757 ( 0.000 7.615 2.752) 8.097 10.254 ( 0.000 5.174 -0.479) 5.197 10.254 ( 0.000 5.174 0.479) 5.197 10.730 ( 0.000 -6.071 -5.785) 8.386 10.730 ( 0.000 -6.071 5.785) 8.386 10.969 ( 0.000 2.651 -1.147) 2.889 10.969 ( 0.000 2.651 1.147) 2.889 11.399 ( 0.000 -6.216 -5.763) 8.476 11.399 ( 0.000 -6.216 5.763) 8.476 11.719 ( 0.000 -5.299 -6.023) 8.022 11.719 ( 0.000 -5.299 6.023) 8.022 11.780 ( 0.000 4.137 -3.687) 5.541 11.780 ( 0.000 4.137 3.687) 5.541 11.835 ( 0.000 4.957 -11.673) 12.682 11.835 ( 0.000 4.957 11.673) 12.682 12.114 ( 0.000 -5.808 -3.778) 6.929 12.114 ( 0.000 -5.808 3.778) 6.929 12.510 ( 0.000 1.547 -2.396) 2.852 12.510 ( 0.000 1.547 2.396) 2.852 12.800 ( 0.000 -2.985 -2.988) 4.223 12.800 ( 0.000 -2.985 2.988) 4.223 12.829 ( 0.000 -2.710 -0.750) 2.812 12.829 ( 0.000 -2.710 0.750) 2.812 15.165 ( 0.000 -2.686 -6.183) 6.742 15.165 ( 0.000 -2.686 6.183) 6.742 15.489 ( 0.000 -10.476 -2.671) 10.811 15.489 ( 0.000 -10.476 2.671) 10.811 15.599 ( 0.000 -6.903 -1.772) 7.127 15.599 ( 0.000 -6.903 1.772) 7.127 15.935 ( 0.000 -3.956 -0.395) 3.975 15.935 ( 0.000 -3.956 0.395) 3.975 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 1.529 4.246 -0.911) 4.604 2.285 ( 1.529 4.246 0.911) 4.604 2.386 ( -0.983 2.591 -2.521) 3.747 2.386 ( -0.983 2.591 2.521) 3.747 2.554 ( -0.793 1.473 -3.689) 4.051 2.554 ( -0.793 1.473 3.689) 4.051 2.660 ( -1.715 -1.115 -5.208) 5.595 2.660 ( -1.715 -1.115 5.208) 5.595 3.207 ( -2.728 6.104 -3.138) 7.386 3.207 ( -2.728 6.104 3.138) 7.386 3.333 ( 1.988 6.731 -2.338) 7.398 3.333 ( 1.988 6.731 2.338) 7.398 3.446 ( -1.340 3.501 -5.918) 7.005 3.446 ( -1.340 3.501 5.918) 7.005 3.676 ( 1.116 0.484 -3.589) 3.790 3.676 ( 1.116 0.484 3.589) 3.790 3.749 ( 2.201 -5.224 -10.060) 11.547 3.749 ( 2.201 -5.224 10.060) 11.547 4.004 ( 3.052 -0.791 -7.227) 7.885 4.004 ( 3.052 -0.791 7.227) 7.885 4.084 ( -3.618 -4.051 -7.318) 9.114 4.084 ( -3.618 -4.051 7.318) 9.114 4.492 ( 2.218 -8.053 -0.527) 8.369 4.492 ( 2.218 -8.053 0.527) 8.369 4.523 ( 0.456 6.103 -1.907) 6.410 4.523 ( 0.456 6.103 1.907) 6.410 4.866 ( -2.809 3.693 -0.272) 4.648 4.866 ( -2.809 3.693 0.272) 4.648 5.376 ( 0.846 14.961 -2.080) 15.129 5.376 ( 0.846 14.961 2.080) 15.129 5.543 ( -2.423 11.888 -2.253) 12.340 5.543 ( -2.423 11.888 2.253) 12.340 5.842 ( 1.872 12.985 -2.272) 13.314 5.842 ( 1.872 12.985 2.272) 13.314 5.897 ( 0.306 13.582 -0.966) 13.620 5.897 ( 0.306 13.582 0.966) 13.620 6.671 ( 1.901 -2.432 -0.395) 3.111 6.671 ( 1.901 -2.432 0.395) 3.111 6.924 ( -3.426 -0.562 -0.689) 3.540 6.924 ( -3.426 -0.562 0.689) 3.540 7.192 ( 3.624 -2.521 -3.321) 5.525 7.192 ( 3.624 -2.521 3.321) 5.525 7.457 ( -0.184 -5.690 -4.877) 7.496 7.457 ( -0.184 -5.690 4.877) 7.496 8.872 ( 3.262 6.302 -3.250) 7.805 8.872 ( 3.262 6.302 3.250) 7.805 9.071 ( 1.364 3.606 -2.195) 4.437 9.071 ( 1.364 3.606 2.195) 4.437 9.294 ( 3.862 -3.005 -2.232) 5.378 9.294 ( 3.862 -3.005 2.232) 5.378 9.626 ( 0.369 5.113 -1.838) 5.446 9.626 ( 0.369 5.113 1.838) 5.446 9.846 ( 6.903 4.703 -3.924) 9.229 9.846 ( 6.903 4.703 3.924) 9.229 10.219 ( -3.853 -0.606 -0.423) 3.923 10.219 ( -3.853 -0.606 0.423) 3.923 10.633 ( -7.159 -1.678 -5.791) 9.359 10.633 ( -7.159 -1.678 5.791) 9.359 10.931 ( -3.590 8.161 -1.103) 8.984 10.931 ( -3.590 8.161 1.103) 8.984 11.407 ( 0.085 -7.968 -7.152) 10.708 11.407 ( 0.085 -7.968 7.152) 10.708 11.548 ( -12.163 1.410 -5.401) 13.382 11.548 ( -12.163 1.410 5.401) 13.382 11.810 ( 0.773 -1.349 -6.983) 7.154 11.810 ( 0.773 -1.349 6.983) 7.154 11.902 ( 7.036 2.023 -5.865) 9.381 11.902 ( 7.036 2.023 5.865) 9.381 12.217 ( 6.564 -6.101 -11.167) 14.318 12.217 ( 6.564 -6.101 11.167) 14.318 12.507 ( 0.003 3.810 -2.312) 4.457 12.507 ( 0.003 3.810 2.312) 4.457 12.770 ( -3.118 -3.357 -3.906) 6.021 12.770 ( -3.118 -3.357 3.906) 6.021 12.804 ( -1.918 -2.895 -2.235) 4.130 12.804 ( -1.918 -2.895 2.235) 4.130 15.161 ( -0.212 -3.752 -4.488) 5.854 15.161 ( -0.212 -3.752 4.488) 5.854 15.408 ( -4.945 -9.316 -2.529) 10.846 15.408 ( -4.945 -9.316 2.529) 10.846 15.699 ( 6.553 -6.941 -4.259) 10.452 15.699 ( 6.553 -6.941 4.259) 10.452 15.935 ( -0.094 -4.230 -1.558) 4.509 15.935 ( -0.094 -4.230 1.558) 4.509 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 1.051 4.145 -0.083) 4.277 2.313 ( 1.051 4.145 0.083) 4.277 2.370 ( -0.633 2.822 -1.925) 3.474 2.370 ( -0.633 2.822 1.925) 3.474 2.544 ( -0.106 -0.296 -2.271) 2.293 2.544 ( -0.106 -0.296 2.271) 2.293 2.622 ( -1.519 -2.258 -2.651) 3.799 2.622 ( -1.519 -2.258 2.651) 3.799 3.160 ( -1.410 6.526 -1.441) 6.830 3.160 ( -1.410 6.526 1.441) 6.830 3.352 ( -1.403 6.285 -2.230) 6.815 3.352 ( -1.403 6.285 2.230) 6.815 3.475 ( 5.622 7.919 -1.860) 9.888 3.475 ( 5.622 7.919 1.860) 9.888 3.636 ( -4.492 -0.204 -2.272) 5.038 3.636 ( -4.492 -0.204 2.272) 5.038 3.825 ( 3.688 -4.106 -8.904) 10.476 3.825 ( 3.688 -4.106 8.904) 10.476 3.951 ( -3.826 -3.559 -8.670) 10.123 3.951 ( -3.826 -3.559 8.670) 10.123 4.146 ( 4.961 -2.190 -2.380) 5.922 4.146 ( 4.961 -2.190 2.380) 5.922 4.426 ( -4.173 -2.330 -3.104) 5.699 4.426 ( -4.173 -2.330 3.104) 5.699 4.612 ( 3.931 4.339 -0.457) 5.873 4.612 ( 3.931 4.339 0.457) 5.873 4.807 ( -2.558 -1.267 -0.114) 2.857 4.807 ( -2.558 -1.267 0.114) 2.857 5.410 ( 2.644 13.487 -2.150) 13.911 5.410 ( 2.644 13.487 2.150) 13.911 5.481 ( -3.569 11.920 -2.281) 12.650 5.481 ( -3.569 11.920 2.281) 12.650 5.879 ( 1.607 13.749 -2.330) 14.037 5.879 ( 1.607 13.749 2.330) 14.037 5.899 ( -0.291 14.183 -1.751) 14.293 5.899 ( -0.291 14.183 1.751) 14.293 6.710 ( 1.567 0.840 -0.409) 1.825 6.710 ( 1.567 0.840 0.409) 1.825 6.867 ( -1.960 -0.341 -0.422) 2.034 6.867 ( -1.960 -0.341 0.422) 2.034 7.245 ( 1.479 -3.129 -1.972) 3.984 7.245 ( 1.479 -3.129 1.972) 3.984 7.455 ( 0.020 -7.567 -2.356) 7.925 7.455 ( 0.020 -7.567 2.356) 7.925 8.928 ( 2.148 9.112 -3.727) 10.077 8.928 ( 2.148 9.112 3.727) 10.077 9.071 ( -1.253 6.259 -4.914) 8.055 9.071 ( -1.253 6.259 4.914) 8.055 9.471 ( 12.726 -5.510 -3.232) 14.239 9.471 ( 12.726 -5.510 3.232) 14.239 9.640 ( 1.124 2.110 -5.721) 6.200 9.640 ( 1.124 2.110 5.721) 6.200 9.838 ( -10.536 -3.395 -7.670) 13.467 9.838 ( -10.536 -3.395 7.670) 13.467 10.178 ( 1.568 -7.680 -1.332) 7.950 10.178 ( 1.568 -7.680 1.332) 7.950 10.585 ( 3.072 6.340 -4.588) 8.407 10.585 ( 3.072 6.340 4.588) 8.407 10.818 ( -7.555 14.084 -3.496) 16.360 10.818 ( -7.555 14.084 3.496) 16.360 11.349 ( -5.176 8.478 -1.741) 10.084 11.349 ( -5.176 8.478 1.741) 10.084 11.409 ( -0.801 -10.431 -1.875) 10.628 11.409 ( -0.801 -10.431 1.875) 10.628 11.828 ( 0.743 -3.854 -3.219) 5.076 11.828 ( 0.743 -3.854 3.219) 5.076 12.032 ( 4.744 -2.675 -3.230) 6.333 12.032 ( 4.744 -2.675 3.230) 6.333 12.283 ( 0.342 -2.069 -5.309) 5.708 12.283 ( 0.342 -2.069 5.309) 5.708 12.530 ( 2.061 1.680 -2.005) 3.330 12.530 ( 2.061 1.680 2.005) 3.330 12.699 ( -3.128 1.658 -4.418) 5.662 12.699 ( -3.128 1.658 4.418) 5.662 12.772 ( -1.023 -6.413 -1.759) 6.728 12.772 ( -1.023 -6.413 1.759) 6.728 15.161 ( 0.158 -4.867 -1.436) 5.077 15.161 ( 0.158 -4.867 1.436) 5.077 15.336 ( -2.124 -9.486 -0.791) 9.753 15.336 ( -2.124 -9.486 0.791) 9.753 15.802 ( 3.308 -4.314 -2.565) 6.011 15.802 ( 3.308 -4.314 2.565) 6.011 15.928 ( -0.529 -5.909 -1.603) 6.146 15.928 ( -0.529 -5.909 1.603) 6.146 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.000 1.052 -0.613) 1.217 2.317 ( 0.000 1.052 0.613) 1.217 2.432 ( 0.000 1.038 -1.760) 2.043 2.432 ( 0.000 1.038 1.760) 2.043 2.591 ( 0.000 0.815 -0.988) 1.281 2.591 ( 0.000 0.815 0.988) 1.281 2.682 ( 0.000 -0.114 -1.766) 1.770 2.682 ( 0.000 -0.114 1.766) 1.770 3.295 ( 0.000 0.839 -1.779) 1.967 3.295 ( 0.000 0.839 1.779) 1.967 3.422 ( 0.000 0.810 -0.870) 1.188 3.422 ( 0.000 0.810 0.870) 1.188 3.506 ( 0.000 7.096 -2.433) 7.502 3.506 ( 0.000 7.096 2.433) 7.502 3.614 ( 0.000 -3.791 -1.404) 4.043 3.614 ( 0.000 -3.791 1.404) 4.043 3.693 ( 0.000 -0.106 -2.324) 2.326 3.693 ( 0.000 -0.106 2.324) 2.326 3.992 ( 0.000 -5.747 -0.580) 5.776 3.992 ( 0.000 -5.747 0.580) 5.776 4.043 ( 0.000 4.447 -2.577) 5.139 4.043 ( 0.000 4.447 2.577) 5.139 4.287 ( 0.000 -6.819 -2.080) 7.129 4.287 ( 0.000 -6.819 2.080) 7.129 4.613 ( 0.000 2.244 -0.823) 2.390 4.613 ( 0.000 2.244 0.823) 2.390 4.974 ( 0.000 2.317 -0.002) 2.317 4.974 ( 0.000 2.317 0.002) 2.317 5.582 ( 0.000 5.687 -0.429) 5.703 5.582 ( 0.000 5.687 0.429) 5.703 5.724 ( 0.000 3.821 -0.887) 3.922 5.724 ( 0.000 3.821 0.887) 3.922 5.995 ( 0.000 4.877 -0.688) 4.926 5.995 ( 0.000 4.877 0.688) 4.926 6.071 ( 0.000 4.774 -0.384) 4.789 6.071 ( 0.000 4.774 0.384) 4.789 6.546 ( 0.000 -4.161 -0.536) 4.195 6.546 ( 0.000 -4.161 0.536) 4.195 6.927 ( 0.000 -1.015 -0.783) 1.282 6.927 ( 0.000 -1.015 0.783) 1.282 7.198 ( 0.000 3.625 -1.161) 3.806 7.198 ( 0.000 3.625 1.161) 3.806 7.380 ( 0.000 -3.333 -3.367) 4.738 7.380 ( 0.000 -3.333 3.367) 4.738 8.873 ( 0.000 0.708 -0.393) 0.810 8.873 ( 0.000 0.708 0.393) 0.810 9.071 ( 0.000 0.222 -2.349) 2.360 9.071 ( 0.000 0.222 2.349) 2.360 9.311 ( 0.000 2.378 -2.673) 3.578 9.311 ( 0.000 2.378 2.673) 3.578 9.722 ( 0.000 3.143 -1.594) 3.524 9.722 ( 0.000 3.143 1.594) 3.524 9.898 ( 0.000 5.726 -2.477) 6.238 9.898 ( 0.000 5.726 2.477) 6.238 10.227 ( 0.000 -5.688 -4.415) 7.200 10.227 ( 0.000 -5.688 4.415) 7.200 10.681 ( 0.000 2.505 -1.882) 3.133 10.681 ( 0.000 2.505 1.882) 3.133 11.075 ( 0.000 4.134 -1.051) 4.265 11.075 ( 0.000 4.134 1.051) 4.265 11.265 ( 0.000 -5.688 -3.464) 6.659 11.265 ( 0.000 -5.688 3.464) 6.659 11.599 ( 0.000 -4.543 -3.248) 5.584 11.599 ( 0.000 -4.543 3.248) 5.584 11.833 ( 0.000 1.159 -0.003) 1.159 11.833 ( 0.000 1.159 0.003) 1.159 11.946 ( 0.000 5.013 -10.402) 11.547 11.946 ( 0.000 5.013 10.402) 11.547 12.024 ( 0.000 -3.185 -8.982) 9.530 12.024 ( 0.000 -3.185 8.982) 9.530 12.501 ( 0.000 -1.763 -2.210) 2.827 12.501 ( 0.000 -1.763 2.210) 2.827 12.737 ( 0.000 -1.065 -2.103) 2.357 12.737 ( 0.000 -1.065 2.103) 2.357 12.844 ( 0.000 0.944 -0.823) 1.253 12.844 ( 0.000 0.944 0.823) 1.253 15.155 ( 0.000 1.570 -4.124) 4.413 15.155 ( 0.000 1.570 4.124) 4.413 15.298 ( 0.000 -7.338 -1.625) 7.516 15.298 ( 0.000 -7.338 1.625) 7.516 15.522 ( 0.000 -1.824 -0.162) 1.831 15.522 ( 0.000 -1.824 0.162) 1.831 15.882 ( 0.000 -1.430 -0.174) 1.440 15.882 ( 0.000 -1.430 0.174) 1.440 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 1.540 1.073 -0.519) 1.947 2.334 ( 1.540 1.073 0.519) 1.947 2.427 ( -0.508 1.310 -1.634) 2.155 2.427 ( -0.508 1.310 1.634) 2.155 2.567 ( -1.982 0.173 -1.440) 2.456 2.567 ( -1.982 0.173 1.440) 2.456 2.641 ( -3.553 -0.650 -2.441) 4.359 2.641 ( -3.553 -0.650 2.441) 4.359 3.293 ( 0.027 2.720 -3.052) 4.089 3.293 ( 0.027 2.720 3.052) 4.089 3.447 ( 2.066 2.759 -0.923) 3.569 3.447 ( 2.066 2.759 0.923) 3.569 3.511 ( -0.715 3.142 -1.314) 3.480 3.511 ( -0.715 3.142 1.314) 3.480 3.650 ( 4.137 -3.775 -2.072) 5.972 3.650 ( 4.137 -3.775 2.072) 5.972 3.711 ( 1.134 3.810 -2.236) 4.561 3.711 ( 1.134 3.810 2.236) 4.561 3.890 ( -4.469 -8.011 -6.325) 11.142 3.890 ( -4.469 -8.011 6.325) 11.142 4.121 ( 2.873 6.289 -2.381) 7.313 4.121 ( 2.873 6.289 2.381) 7.313 4.307 ( 1.140 -9.374 -1.722) 9.598 4.307 ( 1.140 -9.374 1.722) 9.598 4.617 ( 1.289 2.574 -0.377) 2.904 4.617 ( 1.289 2.574 0.377) 2.904 4.931 ( -4.253 2.086 -0.102) 4.738 4.931 ( -4.253 2.086 0.102) 4.738 5.577 ( -0.158 5.340 -0.511) 5.367 5.577 ( -0.158 5.340 0.511) 5.367 5.695 ( -2.647 3.772 -0.875) 4.691 5.695 ( -2.647 3.772 0.875) 4.691 6.023 ( 2.413 5.030 -0.929) 5.655 6.023 ( 2.413 5.030 0.929) 5.655 6.082 ( 0.848 4.968 -0.543) 5.069 6.082 ( 0.848 4.968 0.543) 5.069 6.595 ( 4.788 -3.226 -0.384) 5.786 6.595 ( 4.788 -3.226 0.384) 5.786 6.916 ( -1.550 -0.013 -0.466) 1.619 6.916 ( -1.550 -0.013 0.466) 1.619 7.214 ( 1.423 2.794 -0.805) 3.237 7.214 ( 1.423 2.794 0.806) 3.237 7.355 ( -2.049 -4.268 -3.331) 5.789 7.355 ( -2.049 -4.268 3.331) 5.789 8.967 ( 8.580 3.168 -0.644) 9.169 8.967 ( 8.580 3.168 0.644) 9.169 9.096 ( 3.291 -1.012 -2.114) 4.040 9.096 ( 3.291 -1.012 2.114) 4.040 9.291 ( -1.994 1.805 -3.654) 4.538 9.291 ( -1.994 1.805 3.654) 4.538 9.744 ( 1.502 4.584 -1.524) 5.059 9.744 ( 1.502 4.584 1.524) 5.059 9.911 ( 0.542 2.758 -2.612) 3.837 9.911 ( 0.542 2.758 2.612) 3.837 10.102 ( -11.180 -7.704 -2.906) 13.885 10.102 ( -11.180 -7.704 2.906) 13.885 10.709 ( 2.825 6.385 -3.819) 7.959 10.709 ( 2.825 6.385 3.819) 7.959 11.084 ( 0.135 4.547 -1.516) 4.795 11.084 ( 0.135 4.547 1.516) 4.795 11.233 ( -2.654 -6.350 -2.772) 7.419 11.233 ( -2.654 -6.350 2.772) 7.419 11.509 ( -7.076 -4.262 -2.543) 8.643 11.509 ( -7.076 -4.262 2.543) 8.643 11.822 ( -0.667 2.238 -2.318) 3.291 11.822 ( -0.667 2.238 2.318) 3.291 11.959 ( 0.399 2.630 -7.342) 7.809 11.959 ( 0.399 2.630 7.342) 7.809 12.114 ( 7.970 -3.767 -9.192) 12.736 12.114 ( 7.970 -3.767 9.192) 12.736 12.539 ( 2.898 -0.511 -2.035) 3.577 12.539 ( 2.898 -0.511 2.035) 3.577 12.687 ( -4.248 -1.541 -2.435) 5.133 12.687 ( -4.248 -1.541 2.435) 5.133 12.824 ( -2.063 1.052 -0.840) 2.463 12.824 ( -2.063 1.052 0.840) 2.463 15.127 ( -1.946 0.105 -2.499) 3.169 15.127 ( -1.946 0.105 2.499) 3.169 15.252 ( -3.648 -5.477 -1.014) 6.659 15.252 ( -3.648 -5.477 1.014) 6.659 15.611 ( 7.211 -2.221 -1.580) 7.709 15.611 ( 7.211 -2.221 1.580) 7.709 15.878 ( -0.596 -1.519 -0.532) 1.716 15.878 ( -0.596 -1.519 0.532) 1.716 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 1.822 1.492 -0.512) 2.410 2.369 ( 1.822 1.492 0.512) 2.410 2.408 ( -1.438 1.094 -1.159) 2.146 2.408 ( -1.438 1.094 1.159) 2.146 2.539 ( -0.503 0.036 -1.733) 1.805 2.539 ( -0.503 0.036 1.733) 1.805 2.577 ( -2.245 -1.801 -1.724) 3.355 2.577 ( -2.245 -1.801 1.724) 3.355 3.297 ( 0.234 7.202 -2.211) 7.538 3.297 ( 0.234 7.202 2.211) 7.538 3.446 ( -1.186 -1.843 -0.860) 2.355 3.446 ( -1.186 -1.843 0.860) 2.355 3.534 ( 2.236 2.738 -1.687) 3.917 3.534 ( 2.236 2.738 1.687) 3.917 3.674 ( -1.906 -0.157 -2.115) 2.851 3.674 ( -1.906 -0.157 2.115) 2.851 3.743 ( 2.139 1.926 -0.310) 2.895 3.743 ( 2.139 1.926 0.310) 2.895 3.879 ( 1.764 -6.033 -2.948) 6.942 3.879 ( 1.764 -6.033 2.948) 6.942 4.148 ( 0.617 4.636 -0.944) 4.772 4.148 ( 0.617 4.636 0.944) 4.772 4.295 ( -1.748 -8.786 -1.605) 9.101 4.295 ( -1.748 -8.786 1.605) 9.101 4.690 ( 5.754 2.427 -0.206) 6.248 4.690 ( 5.754 2.427 0.206) 6.248 4.823 ( -6.335 1.259 -0.139) 6.460 4.823 ( -6.335 1.259 0.139) 6.460 5.589 ( 1.537 4.680 -0.627) 4.966 5.589 ( 1.537 4.680 0.627) 4.966 5.636 ( -3.011 3.955 -0.802) 5.035 5.636 ( -3.011 3.955 0.802) 5.035 6.069 ( 1.950 5.275 -0.949) 5.704 6.069 ( 1.950 5.275 0.949) 5.704 6.092 ( -0.134 5.148 -0.745) 5.203 6.092 ( -0.134 5.148 0.745) 5.203 6.712 ( 6.508 -0.343 -0.201) 6.521 6.712 ( 6.508 -0.343 0.201) 6.521 6.852 ( -4.936 -0.561 -0.478) 4.991 6.852 ( -4.936 -0.561 0.478) 4.991 7.238 ( 0.722 2.110 -0.635) 2.318 7.238 ( 0.722 2.110 0.635) 2.318 7.325 ( -0.702 -5.576 -1.792) 5.899 7.325 ( -0.702 -5.576 1.792) 5.899 9.098 ( 4.204 7.315 -2.988) 8.951 9.098 ( 4.204 7.315 2.988) 8.951 9.185 ( -1.028 4.078 -3.287) 5.338 9.185 ( -1.028 4.078 3.287) 5.338 9.338 ( 14.037 -6.164 -1.150) 15.374 9.338 ( 14.037 -6.164 1.150) 15.374 9.672 ( -14.857 -2.233 -0.304) 15.027 9.672 ( -14.857 -2.233 0.304) 15.027 9.826 ( -2.533 6.368 -3.192) 7.560 9.826 ( -2.533 6.368 3.192) 7.560 10.007 ( 1.044 -9.699 -0.659) 9.777 10.007 ( 1.044 -9.699 0.659) 9.777 10.771 ( 2.577 12.528 -2.492) 13.031 10.771 ( 2.577 12.528 2.492) 13.031 11.063 ( -1.578 -0.688 -0.970) 1.976 11.063 ( -1.578 -0.688 0.970) 1.976 11.190 ( -1.392 0.025 -1.420) 1.989 11.190 ( -1.392 0.025 1.420) 1.989 11.400 ( -3.083 -5.813 -1.551) 6.761 11.400 ( -3.083 -5.813 1.551) 6.761 11.815 ( -0.058 4.608 -2.233) 5.121 11.815 ( -0.058 4.608 2.233) 5.121 11.955 ( -0.493 -5.447 -1.956) 5.809 11.955 ( -0.493 -5.447 1.956) 5.809 12.284 ( 8.312 1.346 -2.979) 8.932 12.284 ( 8.312 1.346 2.979) 8.932 12.502 ( -6.475 -3.445 -1.292) 7.447 12.502 ( -6.475 -3.445 1.292) 7.447 12.682 ( 4.037 0.166 -1.961) 4.491 12.682 ( 4.037 0.166 1.961) 4.491 12.766 ( -3.847 1.029 -0.890) 4.080 12.766 ( -3.847 1.029 0.890) 4.080 15.109 ( 0.162 -0.374 -0.751) 0.854 15.109 ( 0.162 -0.374 0.751) 0.854 15.184 ( -2.710 -5.309 -0.237) 5.965 15.184 ( -2.710 -5.309 0.237) 5.965 15.747 ( 5.972 -1.336 -1.240) 6.244 15.747 ( 5.972 -1.336 1.240) 6.244 15.847 ( -2.776 -2.240 -0.855) 3.668 15.847 ( -2.776 -2.240 0.855) 3.668 =================== 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 3/25200 10.0 3735.226 4009.820 2803.698 0.000 0.000 -0.000 3/25200 20.0 528.537 734.245 476.463 0.000 0.000 -0.000 3/25200 30.0 177.802 295.696 160.858 0.000 0.000 -0.000 3/25200 40.0 91.647 175.008 84.442 0.000 0.000 -0.000 3/25200 50.0 58.230 121.198 54.510 0.000 0.000 -0.000 3/25200 60.0 41.308 90.355 39.123 0.000 0.000 -0.000 3/25200 70.0 31.292 70.365 29.888 0.000 0.000 -0.000 3/25200 80.0 24.780 56.555 23.810 0.000 0.000 -0.000 3/25200 90.0 20.281 46.629 19.567 0.000 0.000 -0.000 3/25200 100.0 17.033 39.285 16.476 0.000 0.000 -0.000 3/25200 110.0 14.608 33.716 14.152 0.000 0.000 -0.000 3/25200 120.0 12.747 29.400 12.357 0.000 0.000 -0.000 3/25200 130.0 11.283 25.989 10.939 0.000 0.000 -0.000 3/25200 140.0 10.109 23.244 9.798 0.000 0.000 -0.000 3/25200 150.0 9.149 21.001 8.864 0.000 0.000 -0.000 3/25200 160.0 8.354 19.140 8.088 0.000 0.000 -0.000 3/25200 170.0 7.684 17.576 7.435 0.000 0.000 -0.000 3/25200 180.0 7.114 16.246 6.878 0.000 0.000 -0.000 3/25200 190.0 6.623 15.103 6.398 0.000 0.000 -0.000 3/25200 200.0 6.197 14.111 5.982 0.000 0.000 -0.000 3/25200 210.0 5.823 13.243 5.616 0.000 0.000 -0.000 3/25200 220.0 5.492 12.478 5.294 0.000 0.000 -0.000 3/25200 230.0 5.198 11.798 5.007 0.000 0.000 -0.000 3/25200 240.0 4.934 11.190 4.750 0.000 0.000 -0.000 3/25200 250.0 4.697 10.643 4.519 0.000 0.000 -0.000 3/25200 260.0 4.482 10.149 4.310 0.000 0.000 -0.000 3/25200 270.0 4.287 9.700 4.120 0.000 0.000 -0.000 3/25200 280.0 4.108 9.291 3.946 0.000 0.000 -0.000 3/25200 290.0 3.944 8.915 3.787 0.000 0.000 -0.000 3/25200 300.0 3.793 8.570 3.641 0.000 0.000 -0.000 3/25200 310.0 3.654 8.252 3.506 0.000 0.000 -0.000 3/25200 320.0 3.525 7.957 3.380 0.000 0.000 -0.000 3/25200 330.0 3.405 7.683 3.264 0.000 0.000 -0.000 3/25200 340.0 3.293 7.428 3.156 0.000 0.000 -0.000 3/25200 350.0 3.188 7.189 3.055 0.000 0.000 -0.000 3/25200 360.0 3.090 6.967 2.960 0.000 0.000 -0.000 3/25200 370.0 2.998 6.758 2.871 0.000 0.000 -0.000 3/25200 380.0 2.912 6.561 2.788 0.000 0.000 -0.000 3/25200 390.0 2.830 6.376 2.709 0.000 0.000 -0.000 3/25200 400.0 2.753 6.202 2.635 0.000 0.000 -0.000 3/25200 410.0 2.681 6.037 2.565 0.000 0.000 -0.000 3/25200 420.0 2.612 5.880 2.498 0.000 0.000 -0.000 3/25200 430.0 2.546 5.732 2.435 0.000 0.000 -0.000 3/25200 440.0 2.484 5.592 2.375 0.000 0.000 -0.000 3/25200 450.0 2.425 5.458 2.319 0.000 0.000 -0.000 3/25200 460.0 2.369 5.331 2.264 0.000 0.000 -0.000 3/25200 470.0 2.315 5.209 2.213 0.000 0.000 -0.000 3/25200 480.0 2.264 5.094 2.164 0.000 0.000 -0.000 3/25200 490.0 2.215 4.983 2.117 0.000 0.000 -0.000 3/25200 500.0 2.168 4.877 2.072 0.000 0.000 -0.000 3/25200 510.0 2.124 4.776 2.029 0.000 0.000 -0.000 3/25200 520.0 2.081 4.679 1.987 0.000 0.000 -0.000 3/25200 530.0 2.039 4.586 1.948 0.000 0.000 -0.000 3/25200 540.0 2.000 4.496 1.910 0.000 0.000 -0.000 3/25200 550.0 1.962 4.410 1.873 0.000 0.000 -0.000 3/25200 560.0 1.925 4.328 1.838 0.000 0.000 -0.000 3/25200 570.0 1.890 4.248 1.804 0.000 0.000 -0.000 3/25200 580.0 1.856 4.171 1.772 0.000 0.000 -0.000 3/25200 590.0 1.823 4.097 1.740 0.000 0.000 -0.000 3/25200 600.0 1.791 4.026 1.710 0.000 0.000 -0.000 3/25200 610.0 1.761 3.957 1.681 0.000 0.000 -0.000 3/25200 620.0 1.732 3.891 1.652 0.000 0.000 -0.000 3/25200 630.0 1.703 3.827 1.625 0.000 0.000 -0.000 3/25200 640.0 1.675 3.765 1.599 0.000 0.000 -0.000 3/25200 650.0 1.649 3.705 1.573 0.000 0.000 -0.000 3/25200 660.0 1.623 3.647 1.548 0.000 0.000 -0.000 3/25200 670.0 1.598 3.590 1.525 0.000 0.000 -0.000 3/25200 680.0 1.574 3.536 1.501 0.000 0.000 -0.000 3/25200 690.0 1.550 3.483 1.479 0.000 0.000 -0.000 3/25200 700.0 1.527 3.431 1.457 0.000 0.000 -0.000 3/25200 710.0 1.505 3.382 1.436 0.000 0.000 -0.000 3/25200 720.0 1.484 3.333 1.415 0.000 0.000 -0.000 3/25200 730.0 1.463 3.286 1.395 0.000 0.000 -0.000 3/25200 740.0 1.443 3.241 1.376 0.000 0.000 -0.000 3/25200 750.0 1.423 3.196 1.357 0.000 0.000 -0.000 3/25200 760.0 1.404 3.153 1.339 0.000 0.000 -0.000 3/25200 770.0 1.385 3.111 1.321 0.000 0.000 -0.000 3/25200 780.0 1.367 3.070 1.303 0.000 0.000 -0.000 3/25200 790.0 1.349 3.030 1.287 0.000 0.000 -0.000 3/25200 800.0 1.332 2.991 1.270 0.000 0.000 -0.000 3/25200 810.0 1.315 2.954 1.254 0.000 0.000 -0.000 3/25200 820.0 1.299 2.917 1.238 0.000 0.000 -0.000 3/25200 830.0 1.283 2.881 1.223 0.000 0.000 -0.000 3/25200 840.0 1.267 2.846 1.208 0.000 0.000 -0.000 3/25200 850.0 1.252 2.812 1.194 0.000 0.000 -0.000 3/25200 860.0 1.237 2.778 1.179 0.000 0.000 -0.000 3/25200 870.0 1.223 2.746 1.166 0.000 0.000 -0.000 3/25200 880.0 1.209 2.714 1.152 0.000 0.000 -0.000 3/25200 890.0 1.195 2.683 1.139 0.000 0.000 -0.000 3/25200 900.0 1.181 2.652 1.126 0.000 0.000 -0.000 3/25200 910.0 1.168 2.623 1.113 0.000 0.000 -0.000 3/25200 920.0 1.155 2.594 1.101 0.000 0.000 -0.000 3/25200 930.0 1.142 2.565 1.089 0.000 0.000 -0.000 3/25200 940.0 1.130 2.537 1.077 0.000 0.000 -0.000 3/25200 950.0 1.118 2.510 1.066 0.000 0.000 -0.000 3/25200 960.0 1.106 2.484 1.054 0.000 0.000 -0.000 3/25200 970.0 1.095 2.458 1.043 0.000 0.000 -0.000 3/25200 980.0 1.083 2.432 1.032 0.000 0.000 -0.000 3/25200 990.0 1.072 2.407 1.022 0.000 0.000 -0.000 3/25200 1000.0 1.061 2.383 1.011 0.000 0.000 -0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:20:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|