----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:31:34]------------------------- 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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.642907280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.642907280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.886572060000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 *3 O 0.63967533654635 0.13967533654635 0.25643720829574 15.999 4 O 0.36032466345365 0.86032466345365 0.25643720829574 15.999 5 O 0.13967533654635 0.36032466345365 0.25643720829574 15.999 6 O 0.86032466345365 0.63967533654635 0.25643720829574 15.999 7 O 0.63967533654635 0.13967533654635 0.74356279170426 15.999 8 O 0.86032466345365 0.63967533654635 0.74356279170426 15.999 9 O 0.36032466345365 0.86032466345365 0.74356279170426 15.999 10 O 0.13967533654635 0.36032466345365 0.74356279170426 15.999 *11 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 12 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 *13 Sm 0.67348813888898 0.82651186111102 0.50000000000000 150.360 14 Sm 0.17348813888898 0.67348813888898 0.50000000000000 150.360 15 Sm 0.82651186111102 0.32651186111102 0.50000000000000 150.360 16 Sm 0.32651186111102 0.17348813888898 0.50000000000000 150.360 *17 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 18 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.642907280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.642907280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.886572060000000 Atomic positions (fractional): *1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 2 *3 O 0.63967533654635 0.13967533654635 0.25643720829574 15.999 > 3 4 O 0.36032466345365 0.86032466345365 0.25643720829574 15.999 > 4 5 O 0.13967533654635 0.36032466345365 0.25643720829574 15.999 > 5 6 O 0.86032466345365 0.63967533654635 0.25643720829574 15.999 > 6 7 O 0.63967533654635 0.13967533654635 0.74356279170426 15.999 > 7 8 O 0.86032466345365 0.63967533654635 0.74356279170426 15.999 > 8 9 O 0.36032466345365 0.86032466345365 0.74356279170426 15.999 > 9 10 O 0.13967533654635 0.36032466345365 0.74356279170426 15.999 > 10 *11 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 11 12 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 12 *13 Sm 0.67348813888898 0.82651186111102 0.50000000000000 150.360 > 13 14 Sm 0.17348813888898 0.67348813888898 0.50000000000000 150.360 > 14 15 Sm 0.82651186111102 0.32651186111102 0.50000000000000 150.360 > 15 16 Sm 0.32651186111102 0.17348813888898 0.50000000000000 150.360 > 16 *17 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 17 18 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.285814560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.285814560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.773144120000000 Atomic positions (fractional): *1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 2 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 2 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 2 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 2 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 2 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 2 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 2 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 2 *17 O 0.31983766827318 0.06983766827318 0.12821860414787 15.999 > 3 18 O 0.81983766827318 0.06983766827318 0.12821860414787 15.999 > 3 19 O 0.31983766827318 0.56983766827318 0.12821860414787 15.999 > 3 20 O 0.81983766827318 0.56983766827318 0.12821860414787 15.999 > 3 21 O 0.31983766827318 0.06983766827318 0.62821860414787 15.999 > 3 22 O 0.81983766827318 0.06983766827318 0.62821860414787 15.999 > 3 23 O 0.31983766827318 0.56983766827318 0.62821860414787 15.999 > 3 24 O 0.81983766827318 0.56983766827318 0.62821860414787 15.999 > 3 25 O 0.18016233172682 0.43016233172682 0.12821860414787 15.999 > 4 26 O 0.68016233172682 0.43016233172682 0.12821860414787 15.999 > 4 27 O 0.18016233172682 0.93016233172682 0.12821860414787 15.999 > 4 28 O 0.68016233172682 0.93016233172682 0.12821860414787 15.999 > 4 29 O 0.18016233172682 0.43016233172682 0.62821860414787 15.999 > 4 30 O 0.68016233172682 0.43016233172682 0.62821860414787 15.999 > 4 31 O 0.18016233172682 0.93016233172682 0.62821860414787 15.999 > 4 32 O 0.68016233172682 0.93016233172682 0.62821860414787 15.999 > 4 33 O 0.06983766827318 0.18016233172682 0.12821860414787 15.999 > 5 34 O 0.56983766827318 0.18016233172682 0.12821860414787 15.999 > 5 35 O 0.06983766827318 0.68016233172682 0.12821860414787 15.999 > 5 36 O 0.56983766827318 0.68016233172682 0.12821860414787 15.999 > 5 37 O 0.06983766827318 0.18016233172682 0.62821860414787 15.999 > 5 38 O 0.56983766827318 0.18016233172682 0.62821860414787 15.999 > 5 39 O 0.06983766827318 0.68016233172682 0.62821860414787 15.999 > 5 40 O 0.56983766827318 0.68016233172682 0.62821860414787 15.999 > 5 41 O 0.43016233172682 0.31983766827318 0.12821860414787 15.999 > 6 42 O 0.93016233172682 0.31983766827318 0.12821860414787 15.999 > 6 43 O 0.43016233172682 0.81983766827318 0.12821860414787 15.999 > 6 44 O 0.93016233172682 0.81983766827318 0.12821860414787 15.999 > 6 45 O 0.43016233172682 0.31983766827318 0.62821860414787 15.999 > 6 46 O 0.93016233172682 0.31983766827318 0.62821860414787 15.999 > 6 47 O 0.43016233172682 0.81983766827318 0.62821860414787 15.999 > 6 48 O 0.93016233172682 0.81983766827318 0.62821860414787 15.999 > 6 49 O 0.31983766827318 0.06983766827318 0.37178139585213 15.999 > 7 50 O 0.81983766827318 0.06983766827318 0.37178139585213 15.999 > 7 51 O 0.31983766827318 0.56983766827318 0.37178139585213 15.999 > 7 52 O 0.81983766827318 0.56983766827318 0.37178139585213 15.999 > 7 53 O 0.31983766827318 0.06983766827318 0.87178139585213 15.999 > 7 54 O 0.81983766827318 0.06983766827318 0.87178139585213 15.999 > 7 55 O 0.31983766827318 0.56983766827318 0.87178139585213 15.999 > 7 56 O 0.81983766827318 0.56983766827318 0.87178139585213 15.999 > 7 57 O 0.43016233172682 0.31983766827318 0.37178139585213 15.999 > 8 58 O 0.93016233172682 0.31983766827318 0.37178139585213 15.999 > 8 59 O 0.43016233172682 0.81983766827318 0.37178139585213 15.999 > 8 60 O 0.93016233172682 0.81983766827318 0.37178139585213 15.999 > 8 61 O 0.43016233172682 0.31983766827318 0.87178139585213 15.999 > 8 62 O 0.93016233172682 0.31983766827318 0.87178139585213 15.999 > 8 63 O 0.43016233172682 0.81983766827318 0.87178139585213 15.999 > 8 64 O 0.93016233172682 0.81983766827318 0.87178139585213 15.999 > 8 65 O 0.18016233172682 0.43016233172682 0.37178139585213 15.999 > 9 66 O 0.68016233172682 0.43016233172682 0.37178139585213 15.999 > 9 67 O 0.18016233172682 0.93016233172682 0.37178139585213 15.999 > 9 68 O 0.68016233172682 0.93016233172682 0.37178139585213 15.999 > 9 69 O 0.18016233172682 0.43016233172682 0.87178139585213 15.999 > 9 70 O 0.68016233172682 0.43016233172682 0.87178139585213 15.999 > 9 71 O 0.18016233172682 0.93016233172682 0.87178139585213 15.999 > 9 72 O 0.68016233172682 0.93016233172682 0.87178139585213 15.999 > 9 73 O 0.06983766827318 0.18016233172682 0.37178139585213 15.999 > 10 74 O 0.56983766827318 0.18016233172682 0.37178139585213 15.999 > 10 75 O 0.06983766827318 0.68016233172682 0.37178139585213 15.999 > 10 76 O 0.56983766827318 0.68016233172682 0.37178139585213 15.999 > 10 77 O 0.06983766827318 0.18016233172682 0.87178139585213 15.999 > 10 78 O 0.56983766827318 0.18016233172682 0.87178139585213 15.999 > 10 79 O 0.06983766827318 0.68016233172682 0.87178139585213 15.999 > 10 80 O 0.56983766827318 0.68016233172682 0.87178139585213 15.999 > 10 *81 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 11 82 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 11 83 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 11 84 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 11 85 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 11 86 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 11 87 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 11 88 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 11 89 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 12 90 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 12 91 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 12 92 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 12 93 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 12 94 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 12 95 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 12 96 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 12 *97 Sm 0.33674406944449 0.41325593055551 0.25000000000000 150.360 > 13 98 Sm 0.83674406944449 0.41325593055551 0.25000000000000 150.360 > 13 99 Sm 0.33674406944449 0.91325593055551 0.25000000000000 150.360 > 13 100 Sm 0.83674406944449 0.91325593055551 0.25000000000000 150.360 > 13 101 Sm 0.33674406944449 0.41325593055551 0.75000000000000 150.360 > 13 102 Sm 0.83674406944449 0.41325593055551 0.75000000000000 150.360 > 13 103 Sm 0.33674406944449 0.91325593055551 0.75000000000000 150.360 > 13 104 Sm 0.83674406944449 0.91325593055551 0.75000000000000 150.360 > 13 105 Sm 0.08674406944449 0.33674406944449 0.25000000000000 150.360 > 14 106 Sm 0.58674406944449 0.33674406944449 0.25000000000000 150.360 > 14 107 Sm 0.08674406944449 0.83674406944449 0.25000000000000 150.360 > 14 108 Sm 0.58674406944449 0.83674406944449 0.25000000000000 150.360 > 14 109 Sm 0.08674406944449 0.33674406944449 0.75000000000000 150.360 > 14 110 Sm 0.58674406944449 0.33674406944449 0.75000000000000 150.360 > 14 111 Sm 0.08674406944449 0.83674406944449 0.75000000000000 150.360 > 14 112 Sm 0.58674406944449 0.83674406944449 0.75000000000000 150.360 > 14 113 Sm 0.41325593055551 0.16325593055551 0.25000000000000 150.360 > 15 114 Sm 0.91325593055551 0.16325593055551 0.25000000000000 150.360 > 15 115 Sm 0.41325593055551 0.66325593055551 0.25000000000000 150.360 > 15 116 Sm 0.91325593055551 0.66325593055551 0.25000000000000 150.360 > 15 117 Sm 0.41325593055551 0.16325593055551 0.75000000000000 150.360 > 15 118 Sm 0.91325593055551 0.16325593055551 0.75000000000000 150.360 > 15 119 Sm 0.41325593055551 0.66325593055551 0.75000000000000 150.360 > 15 120 Sm 0.91325593055551 0.66325593055551 0.75000000000000 150.360 > 15 121 Sm 0.16325593055551 0.08674406944449 0.25000000000000 150.360 > 16 122 Sm 0.66325593055551 0.08674406944449 0.25000000000000 150.360 > 16 123 Sm 0.16325593055551 0.58674406944449 0.25000000000000 150.360 > 16 124 Sm 0.66325593055551 0.58674406944449 0.25000000000000 150.360 > 16 125 Sm 0.16325593055551 0.08674406944449 0.75000000000000 150.360 > 16 126 Sm 0.66325593055551 0.08674406944449 0.75000000000000 150.360 > 16 127 Sm 0.16325593055551 0.58674406944449 0.75000000000000 150.360 > 16 128 Sm 0.66325593055551 0.58674406944449 0.75000000000000 150.360 > 16 *129 Pt 0.00000000000000 0.25000000000000 0.00000000000000 195.084 > 17 130 Pt 0.50000000000000 0.25000000000000 0.00000000000000 195.084 > 17 131 Pt 0.00000000000000 0.75000000000000 0.00000000000000 195.084 > 17 132 Pt 0.50000000000000 0.75000000000000 0.00000000000000 195.084 > 17 133 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 17 134 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 17 135 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 17 136 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 17 137 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 18 138 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 18 139 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 18 140 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 18 141 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 18 142 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 18 143 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 18 144 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5789244 0.0000000 0.0000000 0.0000000 5.5789244 0.0000000 0.0000000 0.0000000 6.0711650 -------------------------- Born effective charges -------------------------- 1 O -2.9979417 -0.3622452 0.0000000 0.3622452 -2.9979417 0.0000000 0.0000000 0.0000000 -2.2240618 2 O -2.9979417 0.3622452 0.0000000 -0.3622452 -2.9979417 0.0000000 0.0000000 0.0000000 -2.2240618 3 O -2.1347748 -0.4166834 -0.4611880 -0.4166834 -2.1347748 -0.4611880 -0.6789016 -0.6789016 -2.8299052 4 O -2.1347748 -0.4166834 0.4611880 -0.4166834 -2.1347748 0.4611880 0.6789016 0.6789016 -2.8299052 5 O -2.1347748 0.4166834 -0.4611880 0.4166834 -2.1347748 0.4611880 -0.6789016 0.6789016 -2.8299052 6 O -2.1347748 0.4166834 0.4611880 0.4166834 -2.1347748 -0.4611880 0.6789016 -0.6789016 -2.8299052 7 O -2.1347748 -0.4166834 0.4611880 -0.4166834 -2.1347748 0.4611880 0.6789016 0.6789016 -2.8299052 8 O -2.1347748 0.4166834 -0.4611880 0.4166834 -2.1347748 0.4611880 -0.6789016 0.6789016 -2.8299052 9 O -2.1347748 -0.4166834 -0.4611880 -0.4166834 -2.1347748 -0.4611880 -0.6789016 -0.6789016 -2.8299052 10 O -2.1347748 0.4166834 0.4611880 0.4166834 -2.1347748 -0.4611880 0.6789016 -0.6789016 -2.8299052 11 Ba 3.0438803 -0.0872548 0.0000000 0.0872548 3.0438803 0.0000000 0.0000000 0.0000000 2.6552560 12 Ba 3.0438803 0.0872548 0.0000000 -0.0872548 3.0438803 0.0000000 0.0000000 0.0000000 2.6552560 13 Sm 4.3126344 -0.5467440 0.0000000 -0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 14 Sm 4.3126344 0.5467440 0.0000000 0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 15 Sm 4.3126344 0.5467440 0.0000000 0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 16 Sm 4.3126344 -0.5467440 0.0000000 -0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 17 Pt -0.1321079 -1.2422233 0.0000000 -1.2422233 -0.1321079 0.0000000 0.0000000 0.0000000 2.1777518 18 Pt -0.1321079 1.2422233 0.0000000 1.2422233 -0.1321079 0.0000000 0.0000000 0.0000000 2.1777518 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 858 Number of blocks in projector: 858 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 268 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (858, 841), data: False |-- (148, 143), data: True |-- (210, 205), data: True |-- (232, 227), data: True |-- (268, 266), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 1.018 Solver_block: 160 / 160 - Time: 0.670 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.707 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 858 Number of blocks in projector: 858 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 268 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 210 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (858, 841), data: False |-- (148, 143), data: True |-- (210, 205), data: True |-- (232, 227), data: True |-- (268, 266), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:31:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:31:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.642907280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.642907280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.886572060000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.63967533654635 0.13967533654635 0.25643720829574 15.999 4 O 0.36032466345365 0.86032466345365 0.25643720829574 15.999 5 O 0.13967533654635 0.36032466345365 0.25643720829574 15.999 6 O 0.86032466345365 0.63967533654635 0.25643720829574 15.999 7 O 0.63967533654635 0.13967533654635 0.74356279170426 15.999 8 O 0.86032466345365 0.63967533654635 0.74356279170426 15.999 9 O 0.36032466345365 0.86032466345365 0.74356279170426 15.999 10 O 0.13967533654635 0.36032466345365 0.74356279170426 15.999 11 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 12 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 13 Sm 0.67348813888898 0.82651186111102 0.50000000000000 150.360 14 Sm 0.17348813888898 0.67348813888898 0.50000000000000 150.360 15 Sm 0.82651186111102 0.32651186111102 0.50000000000000 150.360 16 Sm 0.32651186111102 0.17348813888898 0.50000000000000 150.360 17 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 18 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.285814560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.285814560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.773144120000000 Atomic positions (fractional): 1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 9 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 9 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 9 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 9 17 O 0.31983766827318 0.06983766827318 0.12821860414787 15.999 > 17 18 O 0.81983766827318 0.06983766827318 0.12821860414787 15.999 > 17 19 O 0.31983766827318 0.56983766827318 0.12821860414787 15.999 > 17 20 O 0.81983766827318 0.56983766827318 0.12821860414787 15.999 > 17 21 O 0.31983766827318 0.06983766827318 0.62821860414787 15.999 > 17 22 O 0.81983766827318 0.06983766827318 0.62821860414787 15.999 > 17 23 O 0.31983766827318 0.56983766827318 0.62821860414787 15.999 > 17 24 O 0.81983766827318 0.56983766827318 0.62821860414787 15.999 > 17 25 O 0.18016233172682 0.43016233172682 0.12821860414787 15.999 > 25 26 O 0.68016233172682 0.43016233172682 0.12821860414787 15.999 > 25 27 O 0.18016233172682 0.93016233172682 0.12821860414787 15.999 > 25 28 O 0.68016233172682 0.93016233172682 0.12821860414787 15.999 > 25 29 O 0.18016233172682 0.43016233172682 0.62821860414787 15.999 > 25 30 O 0.68016233172682 0.43016233172682 0.62821860414787 15.999 > 25 31 O 0.18016233172682 0.93016233172682 0.62821860414787 15.999 > 25 32 O 0.68016233172682 0.93016233172682 0.62821860414787 15.999 > 25 33 O 0.06983766827318 0.18016233172682 0.12821860414787 15.999 > 33 34 O 0.56983766827318 0.18016233172682 0.12821860414787 15.999 > 33 35 O 0.06983766827318 0.68016233172682 0.12821860414787 15.999 > 33 36 O 0.56983766827318 0.68016233172682 0.12821860414787 15.999 > 33 37 O 0.06983766827318 0.18016233172682 0.62821860414787 15.999 > 33 38 O 0.56983766827318 0.18016233172682 0.62821860414787 15.999 > 33 39 O 0.06983766827318 0.68016233172682 0.62821860414787 15.999 > 33 40 O 0.56983766827318 0.68016233172682 0.62821860414787 15.999 > 33 41 O 0.43016233172682 0.31983766827318 0.12821860414787 15.999 > 41 42 O 0.93016233172682 0.31983766827318 0.12821860414787 15.999 > 41 43 O 0.43016233172682 0.81983766827318 0.12821860414787 15.999 > 41 44 O 0.93016233172682 0.81983766827318 0.12821860414787 15.999 > 41 45 O 0.43016233172682 0.31983766827318 0.62821860414787 15.999 > 41 46 O 0.93016233172682 0.31983766827318 0.62821860414787 15.999 > 41 47 O 0.43016233172682 0.81983766827318 0.62821860414787 15.999 > 41 48 O 0.93016233172682 0.81983766827318 0.62821860414787 15.999 > 41 49 O 0.31983766827318 0.06983766827318 0.37178139585213 15.999 > 49 50 O 0.81983766827318 0.06983766827318 0.37178139585213 15.999 > 49 51 O 0.31983766827318 0.56983766827318 0.37178139585213 15.999 > 49 52 O 0.81983766827318 0.56983766827318 0.37178139585213 15.999 > 49 53 O 0.31983766827318 0.06983766827318 0.87178139585213 15.999 > 49 54 O 0.81983766827318 0.06983766827318 0.87178139585213 15.999 > 49 55 O 0.31983766827318 0.56983766827318 0.87178139585213 15.999 > 49 56 O 0.81983766827318 0.56983766827318 0.87178139585213 15.999 > 49 57 O 0.43016233172682 0.31983766827318 0.37178139585213 15.999 > 57 58 O 0.93016233172682 0.31983766827318 0.37178139585213 15.999 > 57 59 O 0.43016233172682 0.81983766827318 0.37178139585213 15.999 > 57 60 O 0.93016233172682 0.81983766827318 0.37178139585213 15.999 > 57 61 O 0.43016233172682 0.31983766827318 0.87178139585213 15.999 > 57 62 O 0.93016233172682 0.31983766827318 0.87178139585213 15.999 > 57 63 O 0.43016233172682 0.81983766827318 0.87178139585213 15.999 > 57 64 O 0.93016233172682 0.81983766827318 0.87178139585213 15.999 > 57 65 O 0.18016233172682 0.43016233172682 0.37178139585213 15.999 > 65 66 O 0.68016233172682 0.43016233172682 0.37178139585213 15.999 > 65 67 O 0.18016233172682 0.93016233172682 0.37178139585213 15.999 > 65 68 O 0.68016233172682 0.93016233172682 0.37178139585213 15.999 > 65 69 O 0.18016233172682 0.43016233172682 0.87178139585213 15.999 > 65 70 O 0.68016233172682 0.43016233172682 0.87178139585213 15.999 > 65 71 O 0.18016233172682 0.93016233172682 0.87178139585213 15.999 > 65 72 O 0.68016233172682 0.93016233172682 0.87178139585213 15.999 > 65 73 O 0.06983766827318 0.18016233172682 0.37178139585213 15.999 > 73 74 O 0.56983766827318 0.18016233172682 0.37178139585213 15.999 > 73 75 O 0.06983766827318 0.68016233172682 0.37178139585213 15.999 > 73 76 O 0.56983766827318 0.68016233172682 0.37178139585213 15.999 > 73 77 O 0.06983766827318 0.18016233172682 0.87178139585213 15.999 > 73 78 O 0.56983766827318 0.18016233172682 0.87178139585213 15.999 > 73 79 O 0.06983766827318 0.68016233172682 0.87178139585213 15.999 > 73 80 O 0.56983766827318 0.68016233172682 0.87178139585213 15.999 > 73 81 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 81 82 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 81 83 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 81 84 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 81 85 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 81 86 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 81 87 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 81 88 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 81 89 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 89 90 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 89 91 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 89 92 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 89 93 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 89 94 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 89 95 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 89 96 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 89 97 Sm 0.33674406944449 0.41325593055551 0.25000000000000 150.360 > 97 98 Sm 0.83674406944449 0.41325593055551 0.25000000000000 150.360 > 97 99 Sm 0.33674406944449 0.91325593055551 0.25000000000000 150.360 > 97 100 Sm 0.83674406944449 0.91325593055551 0.25000000000000 150.360 > 97 101 Sm 0.33674406944449 0.41325593055551 0.75000000000000 150.360 > 97 102 Sm 0.83674406944449 0.41325593055551 0.75000000000000 150.360 > 97 103 Sm 0.33674406944449 0.91325593055551 0.75000000000000 150.360 > 97 104 Sm 0.83674406944449 0.91325593055551 0.75000000000000 150.360 > 97 105 Sm 0.08674406944449 0.33674406944449 0.25000000000000 150.360 > 105 106 Sm 0.58674406944449 0.33674406944449 0.25000000000000 150.360 > 105 107 Sm 0.08674406944449 0.83674406944449 0.25000000000000 150.360 > 105 108 Sm 0.58674406944449 0.83674406944449 0.25000000000000 150.360 > 105 109 Sm 0.08674406944449 0.33674406944449 0.75000000000000 150.360 > 105 110 Sm 0.58674406944449 0.33674406944449 0.75000000000000 150.360 > 105 111 Sm 0.08674406944449 0.83674406944449 0.75000000000000 150.360 > 105 112 Sm 0.58674406944449 0.83674406944449 0.75000000000000 150.360 > 105 113 Sm 0.41325593055551 0.16325593055551 0.25000000000000 150.360 > 113 114 Sm 0.91325593055551 0.16325593055551 0.25000000000000 150.360 > 113 115 Sm 0.41325593055551 0.66325593055551 0.25000000000000 150.360 > 113 116 Sm 0.91325593055551 0.66325593055551 0.25000000000000 150.360 > 113 117 Sm 0.41325593055551 0.16325593055551 0.75000000000000 150.360 > 113 118 Sm 0.91325593055551 0.16325593055551 0.75000000000000 150.360 > 113 119 Sm 0.41325593055551 0.66325593055551 0.75000000000000 150.360 > 113 120 Sm 0.91325593055551 0.66325593055551 0.75000000000000 150.360 > 113 121 Sm 0.16325593055551 0.08674406944449 0.25000000000000 150.360 > 121 122 Sm 0.66325593055551 0.08674406944449 0.25000000000000 150.360 > 121 123 Sm 0.16325593055551 0.58674406944449 0.25000000000000 150.360 > 121 124 Sm 0.66325593055551 0.58674406944449 0.25000000000000 150.360 > 121 125 Sm 0.16325593055551 0.08674406944449 0.75000000000000 150.360 > 121 126 Sm 0.66325593055551 0.08674406944449 0.75000000000000 150.360 > 121 127 Sm 0.16325593055551 0.58674406944449 0.75000000000000 150.360 > 121 128 Sm 0.66325593055551 0.58674406944449 0.75000000000000 150.360 > 121 129 Pt 0.00000000000000 0.25000000000000 0.00000000000000 195.084 > 129 130 Pt 0.50000000000000 0.25000000000000 0.00000000000000 195.084 > 129 131 Pt 0.00000000000000 0.75000000000000 0.00000000000000 195.084 > 129 132 Pt 0.50000000000000 0.75000000000000 0.00000000000000 195.084 > 129 133 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 129 134 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 129 135 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 129 136 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 129 137 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 137 138 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 137 139 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 137 140 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 137 141 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 137 142 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 137 143 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 137 144 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5789244 0.0000000 0.0000000 0.0000000 5.5789244 0.0000000 0.0000000 0.0000000 6.0711650 -------------------------- Born effective charges -------------------------- 1 O -2.9979417 -0.3622452 0.0000000 0.3622452 -2.9979417 0.0000000 0.0000000 0.0000000 -2.2240618 2 O -2.9979417 0.3622452 0.0000000 -0.3622452 -2.9979417 0.0000000 0.0000000 0.0000000 -2.2240618 3 O -2.1347748 -0.4166834 -0.4611880 -0.4166834 -2.1347748 -0.4611880 -0.6789016 -0.6789016 -2.8299052 4 O -2.1347748 -0.4166834 0.4611880 -0.4166834 -2.1347748 0.4611880 0.6789016 0.6789016 -2.8299052 5 O -2.1347748 0.4166834 -0.4611880 0.4166834 -2.1347748 0.4611880 -0.6789016 0.6789016 -2.8299052 6 O -2.1347748 0.4166834 0.4611880 0.4166834 -2.1347748 -0.4611880 0.6789016 -0.6789016 -2.8299052 7 O -2.1347748 -0.4166834 0.4611880 -0.4166834 -2.1347748 0.4611880 0.6789016 0.6789016 -2.8299052 8 O -2.1347748 0.4166834 -0.4611880 0.4166834 -2.1347748 0.4611880 -0.6789016 0.6789016 -2.8299052 9 O -2.1347748 -0.4166834 -0.4611880 -0.4166834 -2.1347748 -0.4611880 -0.6789016 -0.6789016 -2.8299052 10 O -2.1347748 0.4166834 0.4611880 0.4166834 -2.1347748 -0.4611880 0.6789016 -0.6789016 -2.8299052 11 Ba 3.0438803 -0.0872548 0.0000000 0.0872548 3.0438803 0.0000000 0.0000000 0.0000000 2.6552560 12 Ba 3.0438803 0.0872548 0.0000000 -0.0872548 3.0438803 0.0000000 0.0000000 0.0000000 2.6552560 13 Sm 4.3126344 -0.5467440 0.0000000 -0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 14 Sm 4.3126344 0.5467440 0.0000000 0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 15 Sm 4.3126344 0.5467440 0.0000000 0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 16 Sm 4.3126344 -0.5467440 0.0000000 -0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 17 Pt -0.1321079 -1.2422233 0.0000000 -1.2422233 -0.1321079 0.0000000 0.0000000 0.0000000 2.1777518 18 Pt -0.1321079 1.2422233 0.0000000 1.2422233 -0.1321079 0.0000000 0.0000000 0.0000000 2.1777518 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000019 (yyy) -0.00000019 (yyy) -0.00000019 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:32:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:32:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mbm (127) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.642907280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.642907280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.886572060000000 Atomic positions (fractional): 1 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 3 O 0.63967533654635 0.13967533654635 0.25643720829574 15.999 4 O 0.36032466345365 0.86032466345365 0.25643720829574 15.999 5 O 0.13967533654635 0.36032466345365 0.25643720829574 15.999 6 O 0.86032466345365 0.63967533654635 0.25643720829574 15.999 7 O 0.63967533654635 0.13967533654635 0.74356279170426 15.999 8 O 0.86032466345365 0.63967533654635 0.74356279170426 15.999 9 O 0.36032466345365 0.86032466345365 0.74356279170426 15.999 10 O 0.13967533654635 0.36032466345365 0.74356279170426 15.999 11 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 12 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 13 Sm 0.67348813888898 0.82651186111102 0.50000000000000 150.360 14 Sm 0.17348813888898 0.67348813888898 0.50000000000000 150.360 15 Sm 0.82651186111102 0.32651186111102 0.50000000000000 150.360 16 Sm 0.32651186111102 0.17348813888898 0.50000000000000 150.360 17 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 18 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.285814560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.285814560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.773144120000000 Atomic positions (fractional): 1 O 0.25000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.25000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.75000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.25000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.75000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.25000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.75000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 9 10 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 9 11 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 9 12 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 9 13 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 9 14 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 9 15 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 9 16 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 9 17 O 0.31983766827318 0.06983766827318 0.12821860414787 15.999 > 17 18 O 0.81983766827318 0.06983766827318 0.12821860414787 15.999 > 17 19 O 0.31983766827318 0.56983766827318 0.12821860414787 15.999 > 17 20 O 0.81983766827318 0.56983766827318 0.12821860414787 15.999 > 17 21 O 0.31983766827318 0.06983766827318 0.62821860414787 15.999 > 17 22 O 0.81983766827318 0.06983766827318 0.62821860414787 15.999 > 17 23 O 0.31983766827318 0.56983766827318 0.62821860414787 15.999 > 17 24 O 0.81983766827318 0.56983766827318 0.62821860414787 15.999 > 17 25 O 0.18016233172682 0.43016233172682 0.12821860414787 15.999 > 25 26 O 0.68016233172682 0.43016233172682 0.12821860414787 15.999 > 25 27 O 0.18016233172682 0.93016233172682 0.12821860414787 15.999 > 25 28 O 0.68016233172682 0.93016233172682 0.12821860414787 15.999 > 25 29 O 0.18016233172682 0.43016233172682 0.62821860414787 15.999 > 25 30 O 0.68016233172682 0.43016233172682 0.62821860414787 15.999 > 25 31 O 0.18016233172682 0.93016233172682 0.62821860414787 15.999 > 25 32 O 0.68016233172682 0.93016233172682 0.62821860414787 15.999 > 25 33 O 0.06983766827318 0.18016233172682 0.12821860414787 15.999 > 33 34 O 0.56983766827318 0.18016233172682 0.12821860414787 15.999 > 33 35 O 0.06983766827318 0.68016233172682 0.12821860414787 15.999 > 33 36 O 0.56983766827318 0.68016233172682 0.12821860414787 15.999 > 33 37 O 0.06983766827318 0.18016233172682 0.62821860414787 15.999 > 33 38 O 0.56983766827318 0.18016233172682 0.62821860414787 15.999 > 33 39 O 0.06983766827318 0.68016233172682 0.62821860414787 15.999 > 33 40 O 0.56983766827318 0.68016233172682 0.62821860414787 15.999 > 33 41 O 0.43016233172682 0.31983766827318 0.12821860414787 15.999 > 41 42 O 0.93016233172682 0.31983766827318 0.12821860414787 15.999 > 41 43 O 0.43016233172682 0.81983766827318 0.12821860414787 15.999 > 41 44 O 0.93016233172682 0.81983766827318 0.12821860414787 15.999 > 41 45 O 0.43016233172682 0.31983766827318 0.62821860414787 15.999 > 41 46 O 0.93016233172682 0.31983766827318 0.62821860414787 15.999 > 41 47 O 0.43016233172682 0.81983766827318 0.62821860414787 15.999 > 41 48 O 0.93016233172682 0.81983766827318 0.62821860414787 15.999 > 41 49 O 0.31983766827318 0.06983766827318 0.37178139585213 15.999 > 49 50 O 0.81983766827318 0.06983766827318 0.37178139585213 15.999 > 49 51 O 0.31983766827318 0.56983766827318 0.37178139585213 15.999 > 49 52 O 0.81983766827318 0.56983766827318 0.37178139585213 15.999 > 49 53 O 0.31983766827318 0.06983766827318 0.87178139585213 15.999 > 49 54 O 0.81983766827318 0.06983766827318 0.87178139585213 15.999 > 49 55 O 0.31983766827318 0.56983766827318 0.87178139585213 15.999 > 49 56 O 0.81983766827318 0.56983766827318 0.87178139585213 15.999 > 49 57 O 0.43016233172682 0.31983766827318 0.37178139585213 15.999 > 57 58 O 0.93016233172682 0.31983766827318 0.37178139585213 15.999 > 57 59 O 0.43016233172682 0.81983766827318 0.37178139585213 15.999 > 57 60 O 0.93016233172682 0.81983766827318 0.37178139585213 15.999 > 57 61 O 0.43016233172682 0.31983766827318 0.87178139585213 15.999 > 57 62 O 0.93016233172682 0.31983766827318 0.87178139585213 15.999 > 57 63 O 0.43016233172682 0.81983766827318 0.87178139585213 15.999 > 57 64 O 0.93016233172682 0.81983766827318 0.87178139585213 15.999 > 57 65 O 0.18016233172682 0.43016233172682 0.37178139585213 15.999 > 65 66 O 0.68016233172682 0.43016233172682 0.37178139585213 15.999 > 65 67 O 0.18016233172682 0.93016233172682 0.37178139585213 15.999 > 65 68 O 0.68016233172682 0.93016233172682 0.37178139585213 15.999 > 65 69 O 0.18016233172682 0.43016233172682 0.87178139585213 15.999 > 65 70 O 0.68016233172682 0.43016233172682 0.87178139585213 15.999 > 65 71 O 0.18016233172682 0.93016233172682 0.87178139585213 15.999 > 65 72 O 0.68016233172682 0.93016233172682 0.87178139585213 15.999 > 65 73 O 0.06983766827318 0.18016233172682 0.37178139585213 15.999 > 73 74 O 0.56983766827318 0.18016233172682 0.37178139585213 15.999 > 73 75 O 0.06983766827318 0.68016233172682 0.37178139585213 15.999 > 73 76 O 0.56983766827318 0.68016233172682 0.37178139585213 15.999 > 73 77 O 0.06983766827318 0.18016233172682 0.87178139585213 15.999 > 73 78 O 0.56983766827318 0.18016233172682 0.87178139585213 15.999 > 73 79 O 0.06983766827318 0.68016233172682 0.87178139585213 15.999 > 73 80 O 0.56983766827318 0.68016233172682 0.87178139585213 15.999 > 73 81 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 81 82 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 81 83 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 81 84 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 81 85 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 81 86 Ba 0.50000000000000 0.00000000000000 0.50000000000000 137.327 > 81 87 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 81 88 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 81 89 Ba 0.25000000000000 0.25000000000000 0.00000000000000 137.327 > 89 90 Ba 0.75000000000000 0.25000000000000 0.00000000000000 137.327 > 89 91 Ba 0.25000000000000 0.75000000000000 0.00000000000000 137.327 > 89 92 Ba 0.75000000000000 0.75000000000000 0.00000000000000 137.327 > 89 93 Ba 0.25000000000000 0.25000000000000 0.50000000000000 137.327 > 89 94 Ba 0.75000000000000 0.25000000000000 0.50000000000000 137.327 > 89 95 Ba 0.25000000000000 0.75000000000000 0.50000000000000 137.327 > 89 96 Ba 0.75000000000000 0.75000000000000 0.50000000000000 137.327 > 89 97 Sm 0.33674406944449 0.41325593055551 0.25000000000000 150.360 > 97 98 Sm 0.83674406944449 0.41325593055551 0.25000000000000 150.360 > 97 99 Sm 0.33674406944449 0.91325593055551 0.25000000000000 150.360 > 97 100 Sm 0.83674406944449 0.91325593055551 0.25000000000000 150.360 > 97 101 Sm 0.33674406944449 0.41325593055551 0.75000000000000 150.360 > 97 102 Sm 0.83674406944449 0.41325593055551 0.75000000000000 150.360 > 97 103 Sm 0.33674406944449 0.91325593055551 0.75000000000000 150.360 > 97 104 Sm 0.83674406944449 0.91325593055551 0.75000000000000 150.360 > 97 105 Sm 0.08674406944449 0.33674406944449 0.25000000000000 150.360 > 105 106 Sm 0.58674406944449 0.33674406944449 0.25000000000000 150.360 > 105 107 Sm 0.08674406944449 0.83674406944449 0.25000000000000 150.360 > 105 108 Sm 0.58674406944449 0.83674406944449 0.25000000000000 150.360 > 105 109 Sm 0.08674406944449 0.33674406944449 0.75000000000000 150.360 > 105 110 Sm 0.58674406944449 0.33674406944449 0.75000000000000 150.360 > 105 111 Sm 0.08674406944449 0.83674406944449 0.75000000000000 150.360 > 105 112 Sm 0.58674406944449 0.83674406944449 0.75000000000000 150.360 > 105 113 Sm 0.41325593055551 0.16325593055551 0.25000000000000 150.360 > 113 114 Sm 0.91325593055551 0.16325593055551 0.25000000000000 150.360 > 113 115 Sm 0.41325593055551 0.66325593055551 0.25000000000000 150.360 > 113 116 Sm 0.91325593055551 0.66325593055551 0.25000000000000 150.360 > 113 117 Sm 0.41325593055551 0.16325593055551 0.75000000000000 150.360 > 113 118 Sm 0.91325593055551 0.16325593055551 0.75000000000000 150.360 > 113 119 Sm 0.41325593055551 0.66325593055551 0.75000000000000 150.360 > 113 120 Sm 0.91325593055551 0.66325593055551 0.75000000000000 150.360 > 113 121 Sm 0.16325593055551 0.08674406944449 0.25000000000000 150.360 > 121 122 Sm 0.66325593055551 0.08674406944449 0.25000000000000 150.360 > 121 123 Sm 0.16325593055551 0.58674406944449 0.25000000000000 150.360 > 121 124 Sm 0.66325593055551 0.58674406944449 0.25000000000000 150.360 > 121 125 Sm 0.16325593055551 0.08674406944449 0.75000000000000 150.360 > 121 126 Sm 0.66325593055551 0.08674406944449 0.75000000000000 150.360 > 121 127 Sm 0.16325593055551 0.58674406944449 0.75000000000000 150.360 > 121 128 Sm 0.66325593055551 0.58674406944449 0.75000000000000 150.360 > 121 129 Pt 0.00000000000000 0.25000000000000 0.00000000000000 195.084 > 129 130 Pt 0.50000000000000 0.25000000000000 0.00000000000000 195.084 > 129 131 Pt 0.00000000000000 0.75000000000000 0.00000000000000 195.084 > 129 132 Pt 0.50000000000000 0.75000000000000 0.00000000000000 195.084 > 129 133 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 129 134 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 129 135 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 129 136 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 129 137 Pt 0.25000000000000 0.00000000000000 0.00000000000000 195.084 > 137 138 Pt 0.75000000000000 0.00000000000000 0.00000000000000 195.084 > 137 139 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 137 140 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 137 141 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 137 142 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 137 143 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 137 144 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5789244 0.0000000 0.0000000 0.0000000 5.5789244 0.0000000 0.0000000 0.0000000 6.0711650 -------------------------- Born effective charges -------------------------- 1 O -2.9979417 -0.3622452 0.0000000 0.3622452 -2.9979417 0.0000000 0.0000000 0.0000000 -2.2240618 2 O -2.9979417 0.3622452 0.0000000 -0.3622452 -2.9979417 0.0000000 0.0000000 0.0000000 -2.2240618 3 O -2.1347748 -0.4166834 -0.4611880 -0.4166834 -2.1347748 -0.4611880 -0.6789016 -0.6789016 -2.8299052 4 O -2.1347748 -0.4166834 0.4611880 -0.4166834 -2.1347748 0.4611880 0.6789016 0.6789016 -2.8299052 5 O -2.1347748 0.4166834 -0.4611880 0.4166834 -2.1347748 0.4611880 -0.6789016 0.6789016 -2.8299052 6 O -2.1347748 0.4166834 0.4611880 0.4166834 -2.1347748 -0.4611880 0.6789016 -0.6789016 -2.8299052 7 O -2.1347748 -0.4166834 0.4611880 -0.4166834 -2.1347748 0.4611880 0.6789016 0.6789016 -2.8299052 8 O -2.1347748 0.4166834 -0.4611880 0.4166834 -2.1347748 0.4611880 -0.6789016 0.6789016 -2.8299052 9 O -2.1347748 -0.4166834 -0.4611880 -0.4166834 -2.1347748 -0.4611880 -0.6789016 -0.6789016 -2.8299052 10 O -2.1347748 0.4166834 0.4611880 0.4166834 -2.1347748 -0.4611880 0.6789016 -0.6789016 -2.8299052 11 Ba 3.0438803 -0.0872548 0.0000000 0.0872548 3.0438803 0.0000000 0.0000000 0.0000000 2.6552560 12 Ba 3.0438803 0.0872548 0.0000000 -0.0872548 3.0438803 0.0000000 0.0000000 0.0000000 2.6552560 13 Sm 4.3126344 -0.5467440 0.0000000 -0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 14 Sm 4.3126344 0.5467440 0.0000000 0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 15 Sm 4.3126344 0.5467440 0.0000000 0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 16 Sm 4.3126344 -0.5467440 0.0000000 -0.5467440 4.3126344 0.0000000 0.0000000 0.0000000 4.3553375 17 Pt -0.1321079 -1.2422233 0.0000000 -1.2422233 -0.1321079 0.0000000 0.0000000 0.0000000 2.1777518 18 Pt -0.1321079 1.2422233 0.0000000 1.2422233 -0.1321079 0.0000000 0.0000000 0.0000000 2.1777518 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000019 (yyy) -0.00000019 (yyy) -0.00000019 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.65, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.765 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 9.303 ( 0.000 0.000 0.000) 0.000 9.303 ( 0.000 0.000 0.000) 0.000 9.780 ( 0.000 0.000 0.000) 0.000 9.780 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 0.000) 0.000 10.554 ( 0.000 0.000 0.000) 0.000 10.620 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 11.105 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 18.003 ( 0.000 0.000 0.000) 0.000 18.348 ( 0.000 0.000 0.000) 0.000 19.866 ( 0.000 0.000 0.000) 0.000 19.866 ( 0.000 0.000 0.000) 0.000 20.054 ( 0.000 0.000 0.000) 0.000 20.054 ( 0.000 0.000 0.000) 0.000 21.485 ( 0.000 0.000 0.000) 0.000 21.736 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 24.642 0.000 0.000) 24.642 0.543 ( 28.402 0.000 0.000) 28.402 0.899 ( 46.827 0.000 0.000) 46.827 2.356 ( -3.349 0.000 0.000) 3.349 2.459 ( -4.324 0.000 0.000) 4.324 2.539 ( 1.524 0.000 0.000) 1.524 2.623 ( 6.361 0.000 0.000) 6.361 2.653 ( 3.962 0.000 0.000) 3.962 2.856 ( 1.749 0.000 0.000) 1.749 2.949 ( 8.965 0.000 0.000) 8.965 3.189 ( -6.835 0.000 0.000) 6.835 3.259 ( -0.948 0.000 0.000) 0.948 3.473 ( -4.043 0.000 0.000) 4.043 3.521 ( -1.121 0.000 0.000) 1.121 3.536 ( -0.448 0.000 0.000) 0.448 4.100 ( -3.593 0.000 0.000) 3.593 4.221 ( 8.291 0.000 0.000) 8.291 4.392 ( 11.099 0.000 0.000) 11.099 4.418 ( -13.492 0.000 0.000) 13.492 4.651 ( -3.289 0.000 0.000) 3.289 4.848 ( -7.504 0.000 0.000) 7.504 5.131 ( -5.296 0.000 0.000) 5.296 5.267 ( -7.171 0.000 0.000) 7.171 5.345 ( 0.834 0.000 0.000) 0.834 5.395 ( 14.297 0.000 0.000) 14.297 5.428 ( -3.050 0.000 0.000) 3.050 6.634 ( -6.997 0.000 0.000) 6.997 6.637 ( -11.999 0.000 0.000) 11.999 6.916 ( -2.779 0.000 0.000) 2.779 6.975 ( -21.382 0.000 0.000) 21.382 7.260 ( -0.775 0.000 0.000) 0.775 7.572 ( -1.453 0.000 0.000) 1.453 8.175 ( 24.970 0.000 0.000) 24.970 8.284 ( -0.178 0.000 0.000) 0.178 8.348 ( -0.255 0.000 0.000) 0.255 9.384 ( 7.659 0.000 0.000) 7.659 9.556 ( 6.579 0.000 0.000) 6.579 9.868 ( 8.848 0.000 0.000) 8.848 10.406 ( -5.643 0.000 0.000) 5.643 10.572 ( 1.917 0.000 0.000) 1.917 10.632 ( 1.157 0.000 0.000) 1.157 10.664 ( -5.388 0.000 0.000) 5.388 11.111 ( 1.138 0.000 0.000) 1.138 12.147 ( -0.025 0.000 0.000) 0.025 12.571 ( -1.000 0.000 0.000) 1.000 12.616 ( -4.472 0.000 0.000) 4.472 18.014 ( 1.170 0.000 0.000) 1.170 18.334 ( -1.496 0.000 0.000) 1.496 19.903 ( 3.909 0.000 0.000) 3.909 20.055 ( 0.057 0.000 0.000) 0.057 20.055 ( 0.057 0.000 0.000) 0.057 20.858 ( -5.020 0.000 0.000) 5.020 21.502 ( 1.620 0.000 0.000) 1.620 21.727 ( -0.984 0.000 0.000) 0.984 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 23.357 0.000 0.000) 23.357 1.060 ( 26.278 0.000 0.000) 26.278 1.736 ( 40.921 0.000 0.000) 40.921 2.292 ( -3.523 0.000 0.000) 3.523 2.326 ( -10.123 0.000 0.000) 10.123 2.581 ( 2.881 0.000 0.000) 2.881 2.736 ( 5.374 0.000 0.000) 5.374 2.778 ( 9.264 0.000 0.000) 9.264 2.904 ( 3.317 0.000 0.000) 3.317 3.016 ( -9.916 0.000 0.000) 9.916 3.163 ( 11.781 0.000 0.000) 11.781 3.228 ( -2.435 0.000 0.000) 2.435 3.441 ( 0.211 0.000 0.000) 0.211 3.496 ( -0.704 0.000 0.000) 0.704 3.525 ( -0.654 0.000 0.000) 0.654 4.003 ( -6.449 0.000 0.000) 6.449 4.153 ( -12.975 0.000 0.000) 12.975 4.413 ( 11.916 0.000 0.000) 11.916 4.582 ( -4.090 0.000 0.000) 4.090 4.610 ( 10.187 0.000 0.000) 10.187 4.685 ( -8.933 0.000 0.000) 8.933 4.942 ( -15.141 0.000 0.000) 15.141 5.100 ( -9.843 0.000 0.000) 9.843 5.332 ( -7.237 0.000 0.000) 7.237 5.401 ( 6.051 0.000 0.000) 6.051 5.664 ( 12.891 0.000 0.000) 12.891 6.375 ( -14.509 0.000 0.000) 14.509 6.492 ( -6.432 0.000 0.000) 6.432 6.580 ( -20.066 0.000 0.000) 20.066 6.831 ( -5.986 0.000 0.000) 5.986 7.250 ( -0.091 0.000 0.000) 0.091 7.512 ( -4.427 0.000 0.000) 4.427 8.289 ( 0.662 0.000 0.000) 0.662 8.341 ( -0.411 0.000 0.000) 0.411 8.680 ( 27.365 0.000 0.000) 27.365 9.554 ( 9.826 0.000 0.000) 9.826 9.708 ( 8.775 0.000 0.000) 8.775 10.062 ( 9.882 0.000 0.000) 9.882 10.246 ( -11.293 0.000 0.000) 11.293 10.526 ( -8.931 0.000 0.000) 8.931 10.619 ( 2.728 0.000 0.000) 2.728 10.659 ( 1.591 0.000 0.000) 1.591 11.178 ( 7.040 0.000 0.000) 7.040 12.134 ( -2.162 0.000 0.000) 2.162 12.502 ( -6.758 0.000 0.000) 6.758 12.542 ( -2.146 0.000 0.000) 2.146 18.047 ( 2.283 0.000 0.000) 2.283 18.293 ( -2.751 0.000 0.000) 2.751 20.009 ( 7.188 0.000 0.000) 7.188 20.056 ( 0.078 0.000 0.000) 0.078 20.056 ( 0.083 0.000 0.000) 0.083 20.729 ( -8.409 0.000 0.000) 8.409 21.539 ( 2.229 0.000 0.000) 2.229 21.701 ( -1.705 0.000 0.000) 1.705 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.38 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 21.734 0.000 0.000) 21.734 1.521 ( 22.373 0.000 0.000) 22.373 2.077 ( -16.022 0.000 0.000) 16.022 2.121 ( -7.039 0.000 0.000) 7.039 2.474 ( 27.709 0.000 0.000) 27.709 2.646 ( 4.042 0.000 0.000) 4.042 2.851 ( -7.418 0.000 0.000) 7.418 2.865 ( 8.122 0.000 0.000) 8.122 2.923 ( 4.150 0.000 0.000) 4.150 2.977 ( 4.057 0.000 0.000) 4.057 3.172 ( -2.780 0.000 0.000) 2.780 3.264 ( -2.399 0.000 0.000) 2.399 3.461 ( 1.542 0.000 0.000) 1.542 3.511 ( -0.878 0.000 0.000) 0.878 3.593 ( 11.614 0.000 0.000) 11.614 3.871 ( -7.078 0.000 0.000) 7.078 3.979 ( -3.762 0.000 0.000) 3.762 4.508 ( -3.270 0.000 0.000) 3.270 4.531 ( -9.781 0.000 0.000) 9.781 4.580 ( -19.312 0.000 0.000) 19.312 4.651 ( 12.268 0.000 0.000) 12.268 4.751 ( 5.942 0.000 0.000) 5.942 4.924 ( -8.255 0.000 0.000) 8.255 5.160 ( -10.777 0.000 0.000) 10.777 5.591 ( 13.738 0.000 0.000) 13.738 5.849 ( 6.790 0.000 0.000) 6.790 6.127 ( -11.223 0.000 0.000) 11.223 6.221 ( -18.318 0.000 0.000) 18.318 6.447 ( 2.289 0.000 0.000) 2.289 6.701 ( -7.630 0.000 0.000) 7.630 7.266 ( 2.024 0.000 0.000) 2.024 7.419 ( -5.247 0.000 0.000) 5.247 8.305 ( 0.940 0.000 0.000) 0.940 8.333 ( -0.516 0.000 0.000) 0.516 9.180 ( 25.334 0.000 0.000) 25.334 9.741 ( 9.616 0.000 0.000) 9.616 9.854 ( 5.797 0.000 0.000) 5.797 9.983 ( -16.674 0.000 0.000) 16.674 10.187 ( 3.196 0.000 0.000) 3.196 10.349 ( -9.015 0.000 0.000) 9.015 10.665 ( 2.043 0.000 0.000) 2.043 10.685 ( 0.962 0.000 0.000) 0.962 11.397 ( 15.795 0.000 0.000) 15.795 12.015 ( -11.436 0.000 0.000) 11.436 12.415 ( -1.442 0.000 0.000) 1.442 12.492 ( -3.064 0.000 0.000) 3.064 18.099 ( 3.192 0.000 0.000) 3.192 18.233 ( -3.527 0.000 0.000) 3.527 20.058 ( 0.061 0.000 0.000) 0.061 20.058 ( 0.054 0.000 0.000) 0.054 20.167 ( 9.425 0.000 0.000) 9.425 20.552 ( -10.135 0.000 0.000) 10.135 21.582 ( 2.278 0.000 0.000) 2.278 21.665 ( -2.078 0.000 0.000) 2.078 ======================= Grid point 4 (5/75) ======================= q-point: (-0.50 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -19.660 0.000 0.000) 19.660 1.738 ( 19.660 0.000 0.000) 19.660 1.889 ( -16.380 0.000 0.000) 16.380 1.889 ( 16.380 0.000 0.000) 16.380 2.733 ( -5.315 0.000 0.000) 5.315 2.733 ( 5.315 0.000 0.000) 5.315 2.858 ( -11.824 0.000 0.000) 11.824 2.858 ( 11.824 0.000 0.000) 11.824 2.997 ( -3.704 0.000 0.000) 3.704 2.997 ( 3.704 0.000 0.000) 3.704 3.181 ( -3.985 0.000 0.000) 3.985 3.181 ( 3.985 0.000 0.000) 3.985 3.490 ( -1.402 0.000 0.000) 1.402 3.490 ( 1.402 0.000 0.000) 1.402 3.759 ( -5.009 0.000 0.000) 5.009 3.759 ( 5.009 0.000 0.000) 5.009 4.132 ( -19.932 0.000 0.000) 19.932 4.132 ( 19.932 0.000 0.000) 19.932 4.480 ( -0.805 0.000 0.000) 0.805 4.480 ( 0.805 0.000 0.000) 0.805 4.799 ( -5.316 0.000 0.000) 5.316 4.799 ( 5.316 0.000 0.000) 5.316 4.936 ( -12.568 0.000 0.000) 12.568 4.936 ( 12.568 0.000 0.000) 12.568 5.887 ( -17.076 0.000 0.000) 17.076 5.887 ( 17.076 0.000 0.000) 17.076 5.961 ( -6.590 0.000 0.000) 6.590 5.961 ( 6.590 0.000 0.000) 6.590 6.553 ( -7.633 0.000 0.000) 7.633 6.553 ( 7.633 0.000 0.000) 7.633 7.326 ( -4.259 0.000 0.000) 4.259 7.326 ( 4.259 0.000 0.000) 4.259 8.321 ( -0.721 0.000 0.000) 0.721 8.321 ( 0.721 0.000 0.000) 0.721 9.622 ( -21.506 0.000 0.000) 21.506 9.622 ( 21.506 0.000 0.000) 21.506 9.882 ( -3.806 0.000 0.000) 3.806 9.882 ( 3.806 0.000 0.000) 3.806 10.227 ( -3.194 0.000 0.000) 3.194 10.227 ( 3.194 0.000 0.000) 3.194 10.690 ( -0.497 0.000 0.000) 0.497 10.690 ( 0.497 0.000 0.000) 0.497 11.727 ( -17.809 0.000 0.000) 17.809 11.727 ( 17.809 0.000 0.000) 17.809 12.435 ( -2.661 0.000 0.000) 2.661 12.435 ( 2.661 0.000 0.000) 2.661 18.164 ( -3.668 0.000 0.000) 3.668 18.164 ( 3.668 0.000 0.000) 3.668 20.058 ( -0.007 0.000 0.000) 0.007 20.058 ( 0.007 0.000 0.000) 0.007 20.356 ( -10.436 0.000 0.000) 10.436 20.356 ( 10.436 0.000 0.000) 10.436 21.624 ( -2.215 0.000 0.000) 2.215 21.624 ( 2.215 0.000 0.000) 2.215 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.12 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 16.991 16.991 0.000) 24.029 0.659 ( 16.978 16.978 0.000) 24.010 1.314 ( 32.600 32.600 0.000) 46.104 2.339 ( -1.130 -1.130 0.000) 1.597 2.426 ( -3.629 -3.629 0.000) 5.133 2.549 ( 1.121 1.121 0.000) 1.585 2.669 ( 3.104 3.104 0.000) 4.389 2.671 ( 3.085 3.085 0.000) 4.363 2.937 ( 5.162 5.162 0.000) 7.301 2.973 ( 6.070 6.070 0.000) 8.585 3.140 ( -5.686 -5.686 0.000) 8.041 3.249 ( -0.693 -0.693 0.000) 0.981 3.472 ( -2.267 -2.267 0.000) 3.206 3.485 ( -0.991 -0.991 0.000) 1.402 3.498 ( -1.988 -1.988 0.000) 2.811 4.080 ( -2.838 -2.838 0.000) 4.013 4.277 ( -11.536 -11.536 0.000) 16.314 4.315 ( 7.980 7.980 0.000) 11.285 4.465 ( 7.576 7.576 0.000) 10.714 4.673 ( 0.299 0.299 0.000) 0.423 4.781 ( -6.617 -6.617 0.000) 9.357 5.177 ( -0.962 -0.962 0.000) 1.360 5.212 ( -5.744 -5.744 0.000) 8.123 5.338 ( -0.067 -0.067 0.000) 0.095 5.399 ( -3.281 -3.281 0.000) 4.641 5.465 ( 8.067 8.067 0.000) 11.408 6.110 ( -19.985 -19.985 0.000) 28.263 6.760 ( -11.174 -11.174 0.000) 15.802 6.776 ( -18.320 -18.320 0.000) 25.909 6.830 ( -5.266 -5.266 0.000) 7.448 7.194 ( -0.598 -0.598 0.000) 0.845 7.748 ( 7.444 7.444 0.000) 10.528 8.291 ( 14.240 14.240 0.000) 20.138 8.342 ( 4.814 4.814 0.000) 6.808 8.491 ( 6.857 6.857 0.000) 9.697 9.423 ( 5.862 5.862 0.000) 8.290 9.624 ( 6.499 6.499 0.000) 9.191 9.990 ( 9.463 9.463 0.000) 13.382 10.355 ( -5.481 -5.481 0.000) 7.751 10.586 ( 1.399 1.399 0.000) 1.979 10.614 ( -5.251 -5.251 0.000) 7.426 10.641 ( 0.907 0.907 0.000) 1.282 10.919 ( -8.124 -8.124 0.000) 11.489 12.369 ( 10.307 10.307 0.000) 14.577 12.396 ( -9.590 -9.590 0.000) 13.562 12.707 ( 2.803 2.803 0.000) 3.964 18.025 ( 1.151 1.151 0.000) 1.628 18.321 ( -1.302 -1.302 0.000) 1.842 19.880 ( 0.628 0.628 0.000) 0.888 20.053 ( -0.076 -0.076 0.000) 0.107 20.057 ( 0.112 0.112 0.000) 0.158 20.810 ( -5.324 -5.324 0.000) 7.530 21.521 ( 1.898 1.898 0.000) 2.684 21.739 ( 0.144 0.144 0.000) 0.203 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.25 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 20.453 9.936 0.000) 22.739 1.074 ( 25.712 4.369 0.000) 26.080 1.945 ( 31.876 18.734 0.000) 36.973 2.312 ( -8.355 -1.329 0.000) 8.460 2.312 ( -2.169 1.835 0.000) 2.841 2.581 ( 2.251 0.092 0.000) 2.253 2.724 ( 3.257 -0.130 0.000) 3.260 2.776 ( 7.344 -0.536 0.000) 7.363 2.986 ( -9.383 -3.380 0.000) 9.973 3.013 ( 4.644 9.339 0.000) 10.430 3.149 ( 5.885 0.881 0.000) 5.951 3.256 ( 3.629 2.121 0.000) 4.203 3.442 ( 0.208 -0.528 0.000) 0.568 3.459 ( -0.897 -3.662 0.000) 3.771 3.494 ( 0.680 -1.780 0.000) 1.906 3.989 ( -6.561 -1.847 0.000) 6.816 4.075 ( -8.405 -6.149 0.000) 10.414 4.482 ( 9.780 6.545 0.000) 11.768 4.604 ( -7.807 -0.418 0.000) 7.818 4.631 ( 8.367 2.148 0.000) 8.638 4.652 ( -5.924 -1.253 0.000) 6.055 5.040 ( -13.195 6.806 0.000) 14.847 5.069 ( -8.780 -3.329 0.000) 9.390 5.300 ( -6.913 -3.053 0.000) 7.557 5.374 ( 4.436 -2.527 0.000) 5.105 5.594 ( 2.458 -7.562 0.000) 7.951 5.942 ( 1.880 -27.772 0.000) 27.835 6.412 ( -19.003 -15.406 0.000) 24.463 6.434 ( -18.613 -13.219 0.000) 22.829 6.729 ( -6.521 -8.953 0.000) 11.076 7.231 ( 3.923 2.735 0.000) 4.782 7.759 ( -4.280 18.149 0.000) 18.647 8.428 ( 3.947 11.600 0.000) 12.253 8.553 ( 0.863 16.561 0.000) 16.583 8.683 ( 24.609 1.048 0.000) 24.631 9.582 ( 9.756 3.876 0.000) 10.498 9.775 ( 8.719 5.726 0.000) 10.432 10.150 ( 6.174 9.056 0.000) 10.960 10.199 ( -11.128 -5.130 0.000) 12.253 10.480 ( -8.483 -4.761 0.000) 9.728 10.621 ( 2.169 0.311 0.000) 2.191 10.662 ( 1.202 0.264 0.000) 1.231 10.906 ( 6.618 -19.960 0.000) 21.029 12.160 ( -13.822 -9.954 0.000) 17.033 12.528 ( 5.660 15.571 0.000) 16.568 12.727 ( -0.151 10.151 0.000) 10.152 18.057 ( 2.218 1.066 0.000) 2.461 18.286 ( -2.436 -0.793 0.000) 2.562 19.947 ( 6.015 -4.514 0.000) 7.521 20.052 ( 0.026 -0.208 0.000) 0.210 20.059 ( 0.027 0.059 0.000) 0.065 20.669 ( -9.150 -6.224 0.000) 11.067 21.564 ( 2.447 2.344 0.000) 3.388 21.726 ( -1.399 1.769 0.000) 2.255 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.38 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 20.210 6.184 0.000) 21.135 1.544 ( 23.377 3.064 0.000) 23.577 2.090 ( -14.695 1.240 0.000) 14.747 2.169 ( -7.932 4.867 0.000) 9.306 2.535 ( 23.420 6.048 0.000) 24.188 2.634 ( 3.427 -1.122 0.000) 3.606 2.806 ( 5.346 -3.698 0.000) 6.500 2.825 ( -7.298 -2.661 0.000) 7.768 2.903 ( 4.524 -2.723 0.000) 5.280 3.085 ( -0.090 8.258 0.000) 8.259 3.146 ( -0.836 -2.029 0.000) 2.194 3.282 ( -2.712 2.115 0.000) 3.439 3.464 ( 1.662 -0.255 0.000) 1.681 3.502 ( 0.026 -0.527 0.000) 0.527 3.581 ( 11.414 -1.515 0.000) 11.514 3.868 ( -5.905 -0.611 0.000) 5.937 3.998 ( 2.585 3.686 0.000) 4.502 4.469 ( -5.072 -3.808 0.000) 6.343 4.523 ( -7.799 -1.819 0.000) 8.008 4.672 ( 9.138 2.083 0.000) 9.372 4.703 ( -20.994 11.999 0.000) 24.181 4.758 ( 6.451 0.792 0.000) 6.500 4.908 ( -7.795 -1.862 0.000) 8.014 5.139 ( -9.935 -1.966 0.000) 10.128 5.526 ( 11.364 -6.165 0.000) 12.929 5.621 ( 3.249 -24.490 0.000) 24.704 5.962 ( -8.679 -14.906 0.000) 17.248 6.076 ( -16.797 -13.227 0.000) 21.379 6.235 ( 3.801 -17.328 0.000) 17.740 6.586 ( -8.659 -9.881 0.000) 13.138 7.333 ( 6.798 8.862 0.000) 11.169 7.637 ( -7.954 18.383 0.000) 20.030 8.489 ( 2.660 15.928 0.000) 16.148 8.551 ( -0.749 18.947 0.000) 18.962 9.152 ( 24.437 -2.730 0.000) 24.589 9.765 ( 9.418 3.229 0.000) 9.956 9.917 ( 5.204 5.423 0.000) 7.516 9.938 ( -16.456 -4.718 0.000) 17.119 10.200 ( -0.140 1.528 0.000) 1.535 10.318 ( -7.895 -2.954 0.000) 8.430 10.660 ( 1.745 -0.562 0.000) 1.833 10.681 ( 0.637 -0.449 0.000) 0.779 11.148 ( 17.671 -19.668 0.000) 26.440 11.867 ( -17.360 -14.784 0.000) 22.802 12.611 ( 3.562 19.918 0.000) 20.234 12.710 ( -1.600 15.587 0.000) 15.669 18.107 ( 3.041 0.848 0.000) 3.157 18.232 ( -3.200 -0.148 0.000) 3.203 20.054 ( 0.114 -0.262 0.000) 0.286 20.058 ( -0.074 -0.072 0.000) 0.103 20.091 ( 9.035 -6.835 0.000) 11.330 20.480 ( -10.681 -7.228 0.000) 12.897 21.610 ( 2.358 2.554 0.000) 3.476 21.693 ( -2.006 2.355 0.000) 3.094 ======================= Grid point 13 (9/75) ======================= q-point: (-0.50 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -18.501 3.698 0.000) 18.867 1.774 ( 18.501 3.698 0.000) 18.867 1.929 ( -16.986 4.257 0.000) 17.512 1.929 ( 16.986 4.257 0.000) 17.512 2.712 ( -4.917 -2.114 0.000) 5.352 2.712 ( 4.917 -2.114 0.000) 5.352 2.856 ( -7.086 -1.185 0.000) 7.185 2.856 ( 7.086 -1.185 0.000) 7.185 2.955 ( -7.695 -2.435 0.000) 8.071 2.955 ( 7.695 -2.435 0.000) 8.071 3.213 ( -4.807 2.803 0.000) 5.565 3.213 ( 4.807 2.803 0.000) 5.565 3.492 ( -1.122 0.002 0.000) 1.122 3.492 ( 1.122 0.002 0.000) 1.122 3.747 ( -6.973 -1.323 0.000) 7.097 3.747 ( 6.973 -1.323 0.000) 7.097 4.242 ( -20.236 9.970 0.000) 22.559 4.242 ( 20.236 9.970 0.000) 22.559 4.454 ( -3.358 -1.999 0.000) 3.908 4.454 ( 3.358 -1.999 0.000) 3.908 4.787 ( -5.098 -1.243 0.000) 5.247 4.787 ( 5.098 -1.243 0.000) 5.247 4.936 ( -11.195 0.216 0.000) 11.197 4.936 ( 11.195 0.216 0.000) 11.197 5.749 ( -10.152 -21.595 0.000) 23.862 5.749 ( 10.152 -21.595 0.000) 23.862 5.778 ( -14.866 -10.137 0.000) 17.993 5.778 ( 14.866 -10.137 0.000) 17.993 6.406 ( -10.348 -11.908 0.000) 15.776 6.406 ( 10.348 -11.908 0.000) 15.776 7.479 ( -8.432 14.656 0.000) 16.909 7.479 ( 8.432 14.656 0.000) 16.909 8.529 ( -1.607 18.337 0.000) 18.408 8.529 ( 1.607 18.337 0.000) 18.408 9.584 ( -21.109 -4.073 0.000) 21.499 9.584 ( 21.109 -4.073 0.000) 21.499 9.917 ( -5.492 3.612 0.000) 6.573 9.917 ( 5.492 3.612 0.000) 6.573 10.212 ( -3.025 -1.473 0.000) 3.365 10.212 ( 3.025 -1.473 0.000) 3.365 10.682 ( -0.557 -0.819 0.000) 0.990 10.682 ( 0.557 -0.819 0.000) 0.990 11.513 ( -19.863 -17.535 0.000) 26.496 11.513 ( 19.863 -17.535 0.000) 26.496 12.669 ( -2.662 19.263 0.000) 19.446 12.669 ( 2.662 19.263 0.000) 19.446 18.169 ( -3.413 0.439 0.000) 3.441 18.169 ( 3.413 0.439 0.000) 3.441 20.056 ( -0.133 -0.205 0.000) 0.245 20.056 ( 0.133 -0.205 0.000) 0.245 20.278 ( -10.559 -7.565 0.000) 12.989 20.278 ( 10.559 -7.565 0.000) 12.989 21.653 ( -2.217 2.543 0.000) 3.374 21.653 ( 2.217 2.543 0.000) 3.374 ======================= Grid point 20 (10/75) ======================= q-point: ( 0.25 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 15.125 15.125 0.000) 21.390 1.280 ( 17.044 17.044 0.000) 24.104 2.256 ( -4.900 -4.900 0.000) 6.930 2.327 ( 19.335 19.335 0.000) 27.343 2.350 ( 1.391 1.391 0.000) 1.967 2.587 ( 0.676 0.676 0.000) 0.956 2.743 ( 0.884 0.884 0.000) 1.250 2.769 ( 1.550 1.550 0.000) 2.192 2.887 ( -6.761 -6.761 0.000) 9.562 3.106 ( 1.134 1.134 0.000) 1.604 3.301 ( 5.235 5.235 0.000) 7.403 3.302 ( 8.742 8.742 0.000) 12.363 3.371 ( -4.149 -4.149 0.000) 5.868 3.419 ( -0.585 -0.585 0.000) 0.827 3.494 ( 0.867 0.867 0.000) 1.226 3.926 ( -5.271 -5.271 0.000) 7.454 4.010 ( 1.844 1.844 0.000) 2.607 4.481 ( -9.021 -9.021 0.000) 12.757 4.626 ( 7.894 7.894 0.000) 11.164 4.682 ( 3.042 3.042 0.000) 4.302 4.704 ( 1.240 1.240 0.000) 1.754 4.975 ( -6.369 -6.369 0.000) 9.007 4.981 ( -12.457 -12.457 0.000) 17.617 5.224 ( -5.159 -5.159 0.000) 7.296 5.336 ( -0.202 -0.202 0.000) 0.286 5.398 ( -13.962 -13.962 0.000) 19.745 5.683 ( 3.126 3.126 0.000) 4.421 6.065 ( -22.095 -22.095 0.000) 31.246 6.095 ( -16.794 -16.794 0.000) 23.750 6.566 ( -8.654 -8.654 0.000) 12.238 7.359 ( 9.836 9.836 0.000) 13.910 8.018 ( 6.456 6.456 0.000) 9.130 8.636 ( 9.781 9.781 0.000) 13.833 8.781 ( 11.305 11.305 0.000) 15.988 8.808 ( 9.207 9.207 0.000) 13.021 9.706 ( 8.609 8.609 0.000) 12.176 9.891 ( 6.369 6.369 0.000) 9.006 10.052 ( -10.511 -10.511 0.000) 14.865 10.355 ( -7.655 -7.655 0.000) 10.826 10.360 ( 9.069 9.069 0.000) 12.825 10.613 ( -7.206 -7.206 0.000) 10.191 10.631 ( 0.776 0.776 0.000) 1.097 10.667 ( 0.232 0.232 0.000) 0.328 11.889 ( -16.733 -16.733 0.000) 23.664 12.814 ( 12.107 12.107 0.000) 17.122 12.893 ( 7.325 7.325 0.000) 10.359 18.086 ( 1.978 1.978 0.000) 2.797 18.263 ( -1.591 -1.591 0.000) 2.249 19.904 ( 0.522 0.522 0.000) 0.738 20.049 ( -0.107 -0.107 0.000) 0.152 20.058 ( -0.103 -0.103 0.000) 0.146 20.510 ( -10.188 -10.188 0.000) 14.408 21.614 ( 2.725 2.725 0.000) 3.854 21.744 ( 0.059 0.059 0.000) 0.084 ======================= Grid point 21 (11/75) ======================= q-point: ( 0.38 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 16.489 10.394 0.000) 19.492 1.663 ( 22.012 10.076 0.000) 24.209 2.113 ( -10.487 0.719 0.000) 10.512 2.292 ( -7.709 7.735 0.000) 10.921 2.611 ( 1.912 -1.175 0.000) 2.245 2.655 ( 13.850 3.909 0.000) 14.391 2.754 ( 1.887 -0.986 0.000) 2.129 2.758 ( -6.294 -4.240 0.000) 7.589 2.839 ( 3.921 -2.213 0.000) 4.502 3.110 ( -1.799 -1.317 0.000) 2.229 3.228 ( -4.546 5.633 0.000) 7.239 3.343 ( -1.387 3.938 0.000) 4.175 3.436 ( 2.062 -2.107 0.000) 2.948 3.503 ( -0.279 0.021 0.000) 0.280 3.531 ( 10.166 -3.682 0.000) 10.812 3.816 ( -5.854 -5.296 0.000) 7.894 4.176 ( 13.713 14.578 0.000) 20.014 4.334 ( -3.685 -9.028 0.000) 9.751 4.509 ( -16.044 -1.074 0.000) 16.080 4.711 ( 1.752 1.306 0.000) 2.185 4.791 ( 7.784 3.067 0.000) 8.366 4.850 ( -5.871 -3.819 0.000) 7.004 4.896 ( -5.352 -0.430 0.000) 5.370 5.104 ( -7.399 -1.336 0.000) 7.518 5.129 ( -6.324 -15.713 0.000) 16.938 5.396 ( 6.562 -6.603 0.000) 9.309 5.616 ( -18.848 -18.746 0.000) 26.583 5.804 ( -14.056 -14.311 0.000) 20.059 5.924 ( 12.102 -15.121 0.000) 19.368 6.389 ( -10.445 -11.061 0.000) 15.214 7.574 ( 12.479 15.422 0.000) 19.838 7.995 ( -7.086 17.459 0.000) 18.842 8.791 ( 6.711 14.779 0.000) 16.232 8.904 ( 1.604 16.326 0.000) 16.404 9.095 ( 19.970 -2.393 0.000) 20.113 9.805 ( -15.548 -9.394 0.000) 18.166 9.870 ( 8.071 7.605 0.000) 11.089 10.008 ( 5.451 3.339 0.000) 6.392 10.202 ( -7.126 -3.584 0.000) 7.976 10.314 ( -7.598 5.546 0.000) 9.407 10.648 ( 0.894 -0.581 0.000) 1.066 10.669 ( -0.105 -0.765 0.000) 0.772 10.796 ( 18.697 -16.458 0.000) 24.908 11.549 ( -19.227 -17.991 0.000) 26.331 12.975 ( 5.411 15.999 0.000) 16.889 12.998 ( 3.724 14.733 0.000) 15.196 18.129 ( 2.556 1.467 0.000) 2.947 18.226 ( -2.282 -0.467 0.000) 2.329 19.966 ( 5.855 -5.308 0.000) 7.903 20.049 ( 0.060 -0.242 0.000) 0.249 20.055 ( -0.208 -0.237 0.000) 0.315 20.306 ( -10.946 -10.417 0.000) 15.110 21.662 ( 2.287 2.653 0.000) 3.503 21.731 ( -1.287 1.396 0.000) 1.899 ======================= Grid point 22 (12/75) ======================= q-point: (-0.50 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -15.030 5.983 0.000) 16.177 1.868 ( 15.030 5.983 0.000) 16.177 2.050 ( -17.689 8.606 0.000) 19.672 2.050 ( 17.689 8.606 0.000) 19.672 2.663 ( -3.799 -2.783 0.000) 4.710 2.663 ( 3.799 -2.783 0.000) 4.710 2.783 ( -1.901 -5.371 0.000) 5.698 2.783 ( 1.901 -5.371 0.000) 5.698 2.969 ( -10.285 3.233 0.000) 10.781 2.969 ( 10.285 3.233 0.000) 10.781 3.267 ( -5.522 2.463 0.000) 6.047 3.267 ( 5.522 2.463 0.000) 6.047 3.479 ( -2.097 -1.533 0.000) 2.597 3.479 ( 2.097 -1.533 0.000) 2.597 3.697 ( -7.384 -4.720 0.000) 8.764 3.697 ( 7.384 -4.720 0.000) 8.764 4.287 ( -5.929 -6.625 0.000) 8.891 4.287 ( 5.929 -6.625 0.000) 8.891 4.579 ( -20.810 15.406 0.000) 25.892 4.579 ( 20.810 15.406 0.000) 25.892 4.753 ( -3.374 -2.224 0.000) 4.041 4.753 ( 3.374 -2.224 0.000) 4.041 4.954 ( -8.394 1.800 0.000) 8.585 4.954 ( 8.394 1.800 0.000) 8.585 5.281 ( -15.319 -23.250 0.000) 27.843 5.281 ( 15.319 -23.250 0.000) 27.843 5.567 ( -11.083 -11.123 0.000) 15.702 5.567 ( 11.083 -11.123 0.000) 15.702 6.170 ( -12.721 -13.285 0.000) 18.393 6.170 ( 12.721 -13.285 0.000) 18.393 7.808 ( -11.869 18.694 0.000) 22.143 7.808 ( 11.869 18.694 0.000) 22.143 8.886 ( -3.201 17.677 0.000) 17.965 8.886 ( 3.201 17.677 0.000) 17.965 9.474 ( -19.386 -7.355 0.000) 20.735 9.474 ( 19.386 -7.355 0.000) 20.735 10.004 ( -5.973 4.968 0.000) 7.769 10.004 ( 5.973 4.968 0.000) 7.769 10.186 ( -5.440 -0.649 0.000) 5.479 10.186 ( 5.440 -0.649 0.000) 5.479 10.662 ( -0.579 -1.153 0.000) 1.290 10.662 ( 0.579 -1.153 0.000) 1.290 11.173 ( -20.518 -17.645 0.000) 27.062 11.173 ( 20.518 -17.645 0.000) 27.062 13.029 ( -0.510 17.395 0.000) 17.402 13.029 ( 0.510 17.395 0.000) 17.402 18.179 ( -2.658 0.629 0.000) 2.731 18.179 ( 2.658 0.629 0.000) 2.731 20.051 ( -0.191 -0.296 0.000) 0.352 20.051 ( 0.191 -0.296 0.000) 0.352 20.112 ( -9.355 -8.978 0.000) 12.967 20.112 ( 9.355 -8.978 0.000) 12.967 21.701 ( -1.873 2.209 0.000) 2.897 21.701 ( 1.873 2.209 0.000) 2.897 ======================= Grid point 30 (13/75) ======================= q-point: ( 0.38 0.38 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 11.570 11.570 0.000) 16.362 1.923 ( 16.895 16.895 0.000) 23.893 2.095 ( -3.270 -3.270 0.000) 4.625 2.407 ( 1.113 1.113 0.000) 1.574 2.598 ( 0.009 0.009 0.000) 0.013 2.636 ( -1.571 -1.571 0.000) 2.222 2.676 ( -4.084 -4.084 0.000) 5.775 2.730 ( -1.958 -1.958 0.000) 2.770 2.913 ( 7.393 7.393 0.000) 10.455 3.097 ( -0.239 -0.239 0.000) 0.338 3.272 ( -0.607 -0.607 0.000) 0.859 3.382 ( -2.739 -2.739 0.000) 3.873 3.411 ( -0.010 -0.010 0.000) 0.014 3.479 ( 1.023 1.023 0.000) 1.447 3.486 ( -1.949 -1.949 0.000) 2.756 3.684 ( -7.975 -7.975 0.000) 11.278 4.151 ( -6.251 -6.251 0.000) 8.840 4.365 ( -14.022 -14.022 0.000) 19.829 4.521 ( 17.232 17.232 0.000) 24.370 4.714 ( -0.497 -0.497 0.000) 0.702 4.761 ( -3.842 -3.842 0.000) 5.433 4.790 ( 5.750 5.750 0.000) 8.132 4.892 ( 5.842 5.842 0.000) 8.262 5.007 ( -11.150 -11.150 0.000) 15.769 5.081 ( -2.138 -2.138 0.000) 3.024 5.316 ( -0.709 -0.709 0.000) 1.003 5.402 ( -9.533 -9.533 0.000) 13.482 5.561 ( -11.306 -11.306 0.000) 15.990 5.721 ( -0.378 -0.378 0.000) 0.535 6.162 ( -13.115 -13.115 0.000) 18.547 7.875 ( 15.693 15.693 0.000) 22.194 8.211 ( 3.587 3.587 0.000) 5.073 9.027 ( 10.051 10.051 0.000) 14.214 9.118 ( 6.342 6.342 0.000) 8.969 9.124 ( 6.696 6.696 0.000) 9.470 9.590 ( -13.258 -13.258 0.000) 18.750 10.034 ( 8.633 8.633 0.000) 12.208 10.044 ( 1.768 1.768 0.000) 2.500 10.122 ( -3.842 -3.842 0.000) 5.434 10.395 ( -4.460 -4.460 0.000) 6.307 10.627 ( 4.847 4.847 0.000) 6.855 10.641 ( -0.154 -0.154 0.000) 0.218 10.654 ( -0.746 -0.746 0.000) 1.055 11.205 ( -18.341 -18.341 0.000) 25.938 13.199 ( 8.436 8.436 0.000) 11.930 13.224 ( 7.920 7.920 0.000) 11.201 18.160 ( 1.683 1.683 0.000) 2.380 18.213 ( -0.968 -0.968 0.000) 1.369 19.915 ( 0.124 0.124 0.000) 0.176 20.046 ( -0.076 -0.076 0.000) 0.108 20.050 ( -0.267 -0.267 0.000) 0.378 20.115 ( -9.393 -9.393 0.000) 13.283 21.704 ( 1.797 1.797 0.000) 2.542 21.742 ( -0.134 -0.134 0.000) 0.189 ======================= Grid point 31 (14/75) ======================= q-point: (-0.50 0.38 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -8.917 5.019 0.000) 10.233 1.978 ( 8.917 5.019 0.000) 10.233 2.247 ( -15.552 11.931 0.000) 19.602 2.247 ( 15.552 11.931 0.000) 19.602 2.617 ( -2.087 -1.941 0.000) 2.850 2.617 ( 2.087 -1.941 0.000) 2.850 2.679 ( -3.715 -5.886 0.000) 6.961 2.679 ( 3.715 -5.886 0.000) 6.961 3.046 ( -6.098 4.436 0.000) 7.540 3.046 ( 6.098 4.436 0.000) 7.540 3.291 ( -4.444 -0.132 0.000) 4.446 3.291 ( 4.444 -0.132 0.000) 4.446 3.438 ( -2.536 -2.384 0.000) 3.480 3.438 ( 2.536 -2.384 0.000) 3.480 3.548 ( -5.568 -10.414 0.000) 11.809 3.548 ( 5.568 -10.414 0.000) 11.809 4.154 ( -6.577 -5.173 0.000) 8.368 4.154 ( 6.577 -5.173 0.000) 8.368 4.714 ( -0.981 -1.660 0.000) 1.928 4.714 ( 0.981 -1.660 0.000) 1.928 4.773 ( -11.695 -1.311 0.000) 11.768 4.773 ( 11.695 -1.311 0.000) 11.768 5.004 ( -5.594 3.201 0.000) 6.445 5.004 ( 5.594 3.201 0.000) 6.445 5.086 ( -20.098 7.866 0.000) 21.583 5.086 ( 20.098 7.866 0.000) 21.583 5.384 ( -7.176 -7.838 0.000) 10.626 5.384 ( 7.176 -7.838 0.000) 10.626 5.902 ( -13.932 -14.764 0.000) 20.300 5.902 ( 13.932 -14.764 0.000) 20.300 8.131 ( -10.454 14.212 0.000) 17.643 8.131 ( 10.454 14.212 0.000) 17.643 9.155 ( -3.078 10.332 0.000) 10.781 9.155 ( 3.078 10.332 0.000) 10.781 9.325 ( -13.968 -7.552 0.000) 15.879 9.325 ( 13.968 -7.552 0.000) 15.879 10.064 ( -1.791 0.911 0.000) 2.009 10.064 ( 1.791 0.911 0.000) 2.009 10.224 ( -10.113 4.895 0.000) 11.235 10.224 ( 10.113 4.895 0.000) 11.235 10.643 ( -0.384 -0.811 0.000) 0.897 10.643 ( 0.384 -0.811 0.000) 0.897 10.871 ( -16.690 -13.684 0.000) 21.583 10.871 ( 16.690 -13.684 0.000) 21.583 13.289 ( -0.896 9.649 0.000) 9.691 13.289 ( 0.896 9.649 0.000) 9.691 18.190 ( -1.463 0.450 0.000) 1.531 18.190 ( 1.463 0.450 0.000) 1.531 19.970 ( -5.563 -5.536 0.000) 7.848 19.970 ( 5.563 -5.536 0.000) 7.848 20.046 ( -0.137 -0.213 0.000) 0.254 20.046 ( 0.137 -0.213 0.000) 0.254 21.730 ( -1.051 0.951 0.000) 1.417 21.730 ( 1.051 0.951 0.000) 1.417 ======================= Grid point 44 (15/75) ======================= q-point: (-0.50 -0.50 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.421 ( -0.000 -0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 3.105 ( -0.000 -0.000 0.000) 0.000 3.105 ( -0.000 -0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.698 ( -0.000 -0.000 0.000) 0.000 4.698 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.260 ( -0.000 -0.000 0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 9.241 ( -0.000 -0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 9.256 ( 0.000 0.000 0.000) 0.000 10.067 ( 0.000 0.000 0.000) 0.000 10.067 ( 0.000 0.000 0.000) 0.000 10.297 ( -0.000 -0.000 0.000) 0.000 10.297 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 10.718 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 13.381 ( 0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 19.917 ( 0.000 0.000 0.000) 0.000 19.917 ( 0.000 0.000 0.000) 0.000 20.044 ( 0.000 0.000 0.000) 0.000 20.044 ( 0.000 0.000 0.000) 0.000 21.739 ( 0.000 0.000 0.000) 0.000 21.739 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/75) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 0.000 25.609) 25.609 0.550 ( -0.000 -0.000 25.609) 25.609 1.160 ( 0.000 0.000 52.867) 52.867 2.402 ( 0.000 0.000 0.058) 0.058 2.437 ( 0.000 0.000 -5.496) 5.496 2.539 ( 0.000 0.000 -2.117) 2.117 2.539 ( 0.000 0.000 -2.117) 2.117 2.822 ( 0.000 0.000 -1.855) 1.855 2.822 ( 0.000 0.000 -1.855) 1.855 3.186 ( 0.000 0.000 -5.440) 5.440 3.186 ( 0.000 -0.000 -5.440) 5.440 3.303 ( 0.000 0.000 4.647) 4.647 3.374 ( 0.000 0.000 1.668) 1.668 3.604 ( 0.000 0.000 2.841) 2.841 3.604 ( -0.000 0.000 2.841) 2.841 3.985 ( -0.000 -0.000 -21.485) 21.485 4.119 ( 0.000 0.000 0.385) 0.385 4.119 ( 0.000 0.000 0.385) 0.385 4.172 ( -0.000 -0.000 4.053) 4.053 4.698 ( 0.000 0.000 -0.259) 0.259 5.096 ( 0.000 0.000 -5.052) 5.052 5.096 ( 0.000 0.000 -5.052) 5.052 5.106 ( 0.000 0.000 11.606) 11.606 5.533 ( 0.000 0.000 14.181) 14.181 5.533 ( 0.000 0.000 14.181) 14.181 5.673 ( 0.000 0.000 -0.670) 0.670 6.413 ( 0.000 0.000 -20.684) 20.684 6.413 ( 0.000 0.000 -20.684) 20.684 6.535 ( 0.000 0.000 -13.805) 13.805 6.917 ( -0.000 -0.000 -1.709) 1.709 7.637 ( -0.000 -0.000 23.019) 23.019 7.637 ( 0.000 0.000 23.019) 23.019 7.669 ( 0.000 0.000 8.882) 8.882 8.350 ( 0.000 0.000 5.160) 5.160 8.631 ( -0.000 -0.000 -7.905) 7.905 9.207 ( 0.000 0.000 -8.891) 8.891 9.207 ( 0.000 0.000 -8.891) 8.891 9.813 ( -0.000 -0.000 2.991) 2.991 9.813 ( 0.000 0.000 2.991) 2.991 10.284 ( 0.000 0.000 -18.958) 18.958 10.525 ( -0.000 -0.000 6.058) 6.058 10.797 ( 0.000 0.000 6.918) 6.918 11.340 ( -0.000 -0.000 15.798) 15.798 11.945 ( 0.000 0.000 -2.275) 2.275 12.602 ( -0.000 -0.000 1.924) 1.924 12.602 ( 0.000 0.000 1.924) 1.924 18.165 ( 0.000 0.000 14.907) 14.907 19.342 ( -0.000 -0.000 -29.668) 29.668 19.342 ( -0.000 -0.000 -29.668) 29.668 20.455 ( -0.000 -0.000 18.649) 18.649 20.455 ( 0.000 0.000 18.649) 18.649 21.108 ( 0.000 0.000 -0.276) 0.276 21.479 ( 0.000 0.000 -0.541) 0.541 21.645 ( 0.000 0.000 -8.538) 8.538 ======================= Grid point 82 (17/75) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 19.158 0.000 17.522) 25.962 0.814 ( 19.715 0.000 19.566) 27.776 1.393 ( 24.238 0.000 39.832) 46.627 2.355 ( -3.027 0.000 0.060) 3.027 2.393 ( -4.317 0.000 -5.630) 7.094 2.594 ( 3.350 0.000 -0.379) 3.371 2.608 ( 6.555 0.000 -1.837) 6.808 2.828 ( -9.286 0.000 10.955) 14.361 2.831 ( 1.005 0.000 -2.335) 2.542 2.929 ( 4.705 0.000 -1.064) 4.823 3.149 ( -4.398 0.000 -4.645) 6.397 3.283 ( -1.875 0.000 4.517) 4.891 3.325 ( -0.816 0.000 -7.555) 7.599 3.530 ( -4.410 0.000 2.376) 5.009 3.707 ( 1.358 0.000 5.479) 5.645 4.071 ( -2.020 0.000 -3.360) 3.921 4.108 ( 7.829 0.000 -14.780) 16.726 4.282 ( 10.343 0.000 2.606) 10.666 4.299 ( 4.034 0.000 -9.075) 9.931 4.494 ( -13.237 0.000 -4.699) 14.047 4.965 ( -8.768 0.000 3.543) 9.456 5.133 ( -2.485 0.000 3.308) 4.137 5.316 ( 15.387 0.000 -0.516) 15.395 5.428 ( -4.969 0.000 5.505) 7.416 5.527 ( -0.213 0.000 14.035) 14.037 5.617 ( -5.280 0.000 13.519) 14.514 6.390 ( -2.228 0.000 -16.454) 16.604 6.439 ( -5.057 0.000 -14.292) 15.161 6.880 ( -3.672 0.000 -2.081) 4.221 7.038 ( 14.727 0.000 -26.401) 30.230 7.380 ( 2.921 0.000 3.152) 4.298 7.542 ( -8.997 0.000 19.498) 21.473 7.700 ( -0.875 0.000 6.254) 6.315 8.359 ( 0.829 0.000 5.960) 6.018 8.704 ( 6.152 0.000 5.096) 7.988 9.289 ( 7.692 0.000 -8.797) 11.686 9.369 ( 10.500 0.000 -15.690) 18.879 9.887 ( 7.045 0.000 1.367) 7.176 10.147 ( 26.187 0.000 -12.744) 29.123 10.300 ( 1.893 0.000 -18.221) 18.319 10.477 ( -4.925 0.000 6.097) 7.838 10.751 ( -4.665 0.000 7.261) 8.631 11.356 ( 1.798 0.000 16.288) 16.387 11.922 ( -1.221 0.000 -7.656) 7.753 12.562 ( -4.549 0.000 0.813) 4.621 12.578 ( -2.466 0.000 0.688) 2.560 18.182 ( 1.798 0.000 15.399) 15.504 19.209 ( -16.183 0.000 0.302) 16.186 19.360 ( 1.838 0.000 -30.085) 30.141 19.866 ( -29.354 0.000 16.295) 33.573 20.469 ( 1.527 0.000 18.538) 18.601 21.129 ( -2.780 0.000 9.975) 10.355 21.498 ( 1.712 0.000 -0.407) 1.760 21.639 ( -0.618 0.000 -8.220) 8.243 ======================= Grid point 83 (18/75) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 17.640 0.000 17.453) 24.814 1.169 ( 22.458 0.000 9.697) 24.463 1.963 ( 32.381 0.000 19.572) 37.836 2.277 ( -8.040 0.000 -4.004) 8.982 2.300 ( -3.221 0.000 0.781) 3.314 2.637 ( 1.716 0.000 4.738) 5.039 2.759 ( 2.267 0.000 2.368) 3.278 2.761 ( 8.940 0.000 -2.018) 9.165 2.858 ( 1.746 0.000 -3.671) 4.065 3.022 ( -8.098 0.000 -1.050) 8.165 3.118 ( 10.273 0.000 -3.878) 10.981 3.247 ( -1.993 0.000 3.420) 3.958 3.325 ( 2.128 0.000 -6.460) 6.801 3.490 ( -0.217 0.000 2.597) 2.606 3.710 ( -0.175 0.000 7.165) 7.167 3.984 ( -5.863 0.000 -0.740) 5.910 4.140 ( -13.459 0.000 -1.165) 13.509 4.299 ( 11.032 0.000 -11.826) 16.173 4.401 ( -1.007 0.000 -10.303) 10.352 4.503 ( 11.512 0.000 -0.279) 11.515 4.789 ( -9.557 0.000 2.638) 9.914 4.992 ( -11.984 0.000 4.694) 12.871 5.291 ( -7.842 0.000 7.609) 10.926 5.453 ( -9.470 0.000 15.577) 18.230 5.547 ( 2.729 0.000 12.268) 12.568 5.655 ( 14.382 0.000 -0.849) 14.407 6.289 ( -9.905 0.000 -9.109) 13.457 6.345 ( -2.057 0.000 -4.013) 4.510 6.791 ( -5.360 0.000 -3.053) 6.169 6.836 ( -12.860 0.000 9.592) 16.043 7.351 ( -10.058 0.000 10.868) 14.808 7.457 ( -7.643 0.000 -3.550) 8.427 7.963 ( 20.977 0.000 -20.717) 29.483 8.375 ( 0.656 0.000 6.255) 6.289 8.881 ( 13.557 0.000 7.972) 15.727 9.455 ( 9.266 0.000 -9.069) 12.966 9.551 ( 9.147 0.000 -14.271) 16.950 10.010 ( 3.793 0.000 -6.622) 7.631 10.294 ( -7.718 0.000 1.710) 7.905 10.439 ( 7.118 0.000 -6.416) 9.583 10.464 ( 1.945 0.000 -4.135) 4.570 10.685 ( 2.326 0.000 4.790) 5.325 11.419 ( 5.318 0.000 16.455) 17.293 11.936 ( 2.795 0.000 -14.964) 15.223 12.426 ( -9.674 0.000 -0.736) 9.702 12.509 ( -4.930 0.000 -2.840) 5.690 18.233 ( 3.552 0.000 16.850) 17.220 18.849 ( -17.073 0.000 32.719) 36.905 19.406 ( 2.899 0.000 -31.120) 31.255 19.610 ( -4.904 0.000 -23.656) 24.159 20.515 ( 3.415 0.000 18.224) 18.541 21.025 ( -7.267 0.000 14.345) 16.080 21.531 ( 1.654 0.000 -0.872) 1.870 21.623 ( -1.014 0.000 -7.307) 7.377 ======================= Grid point 84 (19/75) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 15.963 0.000 10.975) 19.372 1.567 ( 18.671 0.000 4.440) 19.191 2.098 ( -10.332 0.000 1.658) 10.465 2.186 ( -7.516 0.000 4.915) 8.980 2.516 ( 21.543 0.000 2.375) 21.674 2.693 ( 5.246 0.000 6.516) 8.365 2.855 ( -6.023 0.000 -0.068) 6.023 2.856 ( 6.792 0.000 -1.346) 6.924 2.881 ( 1.612 0.000 -4.477) 4.759 2.937 ( 3.854 0.000 -2.411) 4.546 3.195 ( -0.578 0.000 -3.631) 3.677 3.205 ( -2.243 0.000 3.606) 4.247 3.464 ( 8.611 0.000 -2.466) 8.957 3.504 ( 1.396 0.000 2.260) 2.657 3.736 ( 4.081 0.000 8.938) 9.825 3.866 ( -6.125 0.000 0.128) 6.126 3.949 ( -4.073 0.000 -2.731) 4.904 4.394 ( 0.698 0.000 -6.165) 6.205 4.458 ( -0.507 0.000 -5.189) 5.213 4.572 ( -12.321 0.000 0.289) 12.324 4.664 ( 3.565 0.000 0.731) 3.639 4.833 ( 3.507 0.000 5.515) 6.535 5.100 ( -12.366 0.000 7.940) 14.695 5.239 ( -12.273 0.000 10.183) 15.948 5.634 ( 6.327 0.000 7.446) 9.771 5.845 ( 2.424 0.000 2.407) 3.416 6.158 ( -0.465 0.000 -3.416) 3.447 6.313 ( -1.879 0.000 10.571) 10.737 6.678 ( -4.592 0.000 15.000) 15.688 6.694 ( -4.476 0.000 -0.822) 4.551 7.199 ( -5.356 0.000 -1.810) 5.654 7.288 ( -8.659 0.000 -9.733) 13.027 8.237 ( 8.878 0.000 -8.519) 12.304 8.377 ( -0.623 0.000 4.705) 4.746 9.208 ( 19.751 0.000 1.065) 19.780 9.610 ( 5.722 0.000 -10.825) 12.244 9.711 ( 7.546 0.000 -13.109) 15.126 9.989 ( -7.274 0.000 -10.648) 12.896 10.126 ( -5.518 0.000 5.290) 7.644 10.327 ( -10.804 0.000 1.395) 10.894 10.633 ( 10.308 0.000 -1.295) 10.389 10.775 ( 3.102 0.000 6.059) 6.807 11.572 ( 11.166 0.000 13.542) 17.552 11.993 ( 0.108 0.000 -6.993) 6.994 12.234 ( -7.614 0.000 -8.043) 11.075 12.395 ( -6.958 0.000 -8.239) 10.783 18.316 ( 5.293 0.000 19.291) 20.004 18.597 ( -10.469 0.000 28.502) 30.364 19.462 ( 2.913 0.000 -32.204) 32.336 19.553 ( -2.163 0.000 -31.352) 31.426 20.600 ( 5.619 0.000 17.698) 18.569 20.876 ( -8.282 0.000 15.911) 17.937 21.559 ( 1.291 0.000 -2.374) 2.702 21.603 ( -1.142 0.000 -5.914) 6.023 ======================= Grid point 85 (20/75) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -6.995 0.000 1.546) 7.164 1.731 ( 6.995 0.000 1.546) 7.164 2.015 ( -7.194 0.000 8.715) 11.300 2.015 ( 7.194 0.000 8.715) 11.300 2.733 ( -6.415 0.000 -0.083) 6.416 2.733 ( 6.415 0.000 -0.083) 6.416 2.846 ( -6.349 0.000 -1.523) 6.529 2.846 ( 6.349 0.000 -1.523) 6.529 2.960 ( -2.767 0.000 -2.566) 3.774 2.960 ( 2.767 0.000 -2.566) 3.774 3.182 ( -0.012 0.000 1.637) 1.637 3.182 ( 0.012 0.000 1.637) 1.637 3.527 ( -0.370 0.000 1.119) 1.179 3.527 ( 0.370 0.000 1.119) 1.179 3.784 ( -1.965 0.000 2.495) 3.176 3.784 ( 1.965 0.000 2.495) 3.176 4.141 ( -20.825 0.000 1.260) 20.863 4.141 ( 20.825 0.000 1.260) 20.863 4.442 ( -4.437 0.000 -1.895) 4.825 4.442 ( 4.437 0.000 -1.895) 4.825 4.851 ( -13.137 0.000 2.177) 13.316 4.851 ( 13.137 0.000 2.177) 13.316 5.010 ( -11.748 0.000 6.547) 13.449 5.010 ( 11.748 0.000 6.547) 13.449 5.767 ( -7.198 0.000 2.628) 7.663 5.767 ( 7.198 0.000 2.628) 7.663 6.245 ( -5.709 0.000 9.202) 10.829 6.245 ( 5.709 0.000 9.202) 10.829 6.643 ( -0.585 0.000 11.306) 11.321 6.643 ( 0.585 0.000 11.306) 11.321 7.172 ( -2.783 0.000 -12.056) 12.373 7.172 ( 2.783 0.000 -12.056) 12.373 8.343 ( -3.216 0.000 0.452) 3.247 8.343 ( 3.216 0.000 0.452) 3.247 9.551 ( -13.835 0.000 -7.263) 15.625 9.551 ( 13.835 0.000 -7.263) 15.625 9.832 ( -6.062 0.000 -8.247) 10.235 9.832 ( 6.062 0.000 -8.247) 10.235 10.146 ( -6.728 0.000 -0.135) 6.729 10.146 ( 6.728 0.000 -0.135) 6.729 10.770 ( -3.779 0.000 5.023) 6.286 10.770 ( 3.779 0.000 5.023) 6.286 11.823 ( -14.241 0.000 8.249) 16.458 11.823 ( 14.241 0.000 8.249) 16.458 12.259 ( -6.758 0.000 -14.542) 16.035 12.259 ( 6.758 0.000 -14.542) 16.035 18.433 ( -7.283 0.000 23.026) 24.150 18.433 ( 7.283 0.000 23.026) 24.150 19.512 ( -2.342 0.000 -32.628) 32.712 19.512 ( 2.342 0.000 -32.628) 32.712 20.725 ( -7.517 0.000 16.928) 18.522 20.725 ( 7.517 0.000 16.928) 18.522 21.581 ( -1.155 0.000 -4.195) 4.351 21.581 ( 1.155 0.000 -4.195) 4.351 ======================= Grid point 91 (21/75) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 12.528 12.528 15.912) 23.813 0.993 ( 12.796 12.796 20.187) 27.111 1.631 ( 22.510 22.510 28.515) 42.738 2.325 ( -2.319 -2.319 -2.557) 4.158 2.382 ( -1.931 -1.931 -2.397) 3.634 2.602 ( 2.765 2.765 0.201) 3.915 2.666 ( 3.547 3.547 -0.819) 5.082 2.767 ( -4.316 -4.316 9.772) 11.522 2.916 ( 5.098 5.098 -2.077) 7.503 2.925 ( 4.402 4.402 -3.867) 7.328 3.171 ( -0.578 -0.578 -5.724) 5.782 3.177 ( -4.184 -4.184 2.024) 6.254 3.362 ( 0.062 0.062 -2.245) 2.247 3.506 ( -2.844 -2.844 0.445) 4.047 3.666 ( -1.246 -1.246 7.163) 7.377 4.067 ( -2.690 -2.690 0.538) 3.842 4.196 ( 7.531 7.531 -17.447) 20.442 4.250 ( -8.181 -8.181 -2.880) 11.922 4.350 ( 7.381 7.381 2.296) 10.688 4.448 ( -0.954 -0.954 -11.025) 11.107 4.923 ( -5.395 -5.395 6.325) 9.910 5.153 ( -1.239 -1.239 -0.406) 1.798 5.364 ( -2.205 -2.205 7.275) 7.915 5.396 ( 6.066 6.066 -1.085) 8.647 5.515 ( -1.054 -1.054 13.014) 13.099 5.587 ( -3.357 -3.357 13.590) 14.396 6.046 ( -12.901 -12.901 -4.418) 18.772 6.621 ( -3.237 -3.237 -11.281) 12.175 6.809 ( -4.829 -4.829 -1.886) 7.084 7.013 ( -16.711 -16.711 11.187) 26.147 7.351 ( -6.630 -6.630 12.203) 15.389 7.563 ( 24.139 24.139 -32.675) 47.255 7.757 ( -0.262 -0.262 2.325) 2.354 8.435 ( 5.574 5.574 6.651) 10.313 8.792 ( 7.077 7.077 6.993) 12.209 9.333 ( 6.021 6.021 -8.358) 11.932 9.469 ( 7.968 7.968 -14.559) 18.411 10.030 ( 9.653 9.653 3.492) 14.091 10.153 ( 3.207 3.207 -20.326) 20.826 10.380 ( 7.033 7.033 -14.012) 17.183 10.426 ( -5.188 -5.188 6.465) 9.778 10.711 ( -3.721 -3.721 7.219) 8.934 11.283 ( -5.180 -5.180 18.346) 19.754 12.044 ( 9.685 9.685 -15.107) 20.392 12.414 ( -9.770 -9.770 1.588) 13.907 12.657 ( 2.545 2.545 -1.027) 3.743 18.199 ( 1.751 1.751 15.866) 16.058 19.088 ( -13.713 -13.713 23.703) 30.626 19.346 ( 0.135 0.135 -29.917) 29.918 19.698 ( -9.985 -9.985 -6.687) 15.624 20.460 ( 0.251 0.251 18.574) 18.577 21.092 ( -4.334 -4.334 12.536) 13.954 21.517 ( 1.766 1.766 -0.446) 2.537 21.648 ( 0.344 0.344 -8.429) 8.443 ======================= Grid point 92 (22/75) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 21.472 4.713 10.235) 24.249 1.258 ( 15.194 7.365 16.484) 23.597 2.112 ( 25.239 13.657 14.006) 31.933 2.256 ( -5.332 -1.501 -3.766) 6.699 2.333 ( -2.876 2.507 1.031) 3.952 2.644 ( 1.305 1.347 5.661) 5.964 2.742 ( 1.913 -1.118 1.604) 2.736 2.764 ( 6.906 -0.322 -1.172) 7.012 2.955 ( 1.364 7.146 -3.069) 7.896 3.026 ( -4.798 1.799 0.457) 5.144 3.106 ( 4.659 0.224 -3.229) 5.673 3.251 ( 8.192 -0.826 -0.335) 8.240 3.324 ( -3.212 0.730 -3.277) 4.647 3.477 ( 0.219 -1.527 1.257) 1.990 3.669 ( 1.149 -2.751 7.561) 8.128 3.979 ( -6.324 -1.421 0.381) 6.493 4.061 ( -8.997 -6.374 -0.889) 11.062 4.323 ( 5.052 2.374 -13.071) 14.213 4.438 ( 0.359 2.416 -10.757) 11.031 4.536 ( 10.268 3.907 1.333) 11.067 4.793 ( -7.274 -1.541 4.891) 8.900 5.032 ( -11.344 2.826 -0.114) 11.691 5.261 ( -7.382 -2.849 6.748) 10.400 5.440 ( -8.685 -1.278 17.093) 19.216 5.488 ( -0.047 -4.336 9.060) 10.044 5.628 ( 9.027 -2.459 2.987) 9.821 5.930 ( 0.916 -20.665 0.622) 20.695 6.430 ( -14.084 -5.219 0.742) 15.039 6.658 ( -13.642 -15.093 11.926) 23.582 6.724 ( -7.664 -10.119 1.942) 12.842 7.265 ( -2.869 -2.004 5.192) 6.261 7.623 ( -7.340 15.242 -10.307) 19.810 8.097 ( 22.889 10.030 -23.847) 34.542 8.515 ( 2.857 11.059 5.473) 12.666 8.947 ( 10.356 6.492 8.502) 14.889 9.486 ( 8.876 4.035 -8.801) 13.135 9.631 ( 8.773 6.879 -13.499) 17.507 10.066 ( -1.990 5.291 -11.643) 12.943 10.265 ( -7.961 -3.257 4.912) 9.906 10.380 ( 12.628 -4.053 -4.697) 14.070 10.445 ( -3.843 -3.244 -1.991) 5.409 10.685 ( 3.517 0.278 3.613) 5.050 11.226 ( 0.032 -12.575 16.564) 20.797 12.152 ( -7.305 1.320 -3.975) 8.420 12.265 ( 2.602 4.063 -13.515) 14.351 12.669 ( -1.168 8.793 -3.423) 9.508 18.248 ( 3.419 1.573 17.241) 17.647 18.802 ( -13.911 -4.854 33.936) 36.996 19.375 ( 2.550 -2.478 -30.476) 30.683 19.585 ( -3.400 -2.208 -27.569) 27.866 20.489 ( 2.765 -1.838 18.468) 18.764 20.975 ( -7.503 -5.021 15.018) 17.523 21.552 ( 1.743 1.921 -1.264) 2.885 21.644 ( -0.682 1.582 -7.605) 7.797 ======================= Grid point 93 (23/75) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 14.957 4.717 9.734) 18.458 1.592 ( 18.894 3.055 4.568) 19.677 2.105 ( -8.677 0.872 1.535) 8.855 2.230 ( -7.368 4.502 4.703) 9.833 2.534 ( 14.859 1.825 -0.951) 15.000 2.690 ( 4.098 -0.235 5.889) 7.178 2.810 ( 4.165 -2.134 0.070) 4.681 2.872 ( -0.835 0.342 1.346) 1.621 2.893 ( 1.371 -0.440 1.065) 1.791 3.013 ( -0.442 7.362 -5.085) 8.958 3.149 ( 1.144 -2.465 0.011) 2.718 3.251 ( -3.224 2.627 -0.260) 4.167 3.452 ( 7.968 -1.223 -2.172) 8.349 3.498 ( 1.550 -0.722 1.252) 2.119 3.717 ( 3.567 -2.076 8.619) 9.556 3.870 ( -4.604 0.086 0.831) 4.679 3.970 ( 2.574 3.638 -2.293) 5.013 4.356 ( 0.198 -2.304 -6.872) 7.250 4.478 ( 0.144 -1.073 -2.837) 3.036 4.626 ( -8.626 4.766 -1.581) 9.981 4.689 ( -2.186 2.838 -0.014) 3.582 4.845 ( 1.815 1.275 3.817) 4.414 5.076 ( -11.875 -2.061 8.491) 14.743 5.230 ( -11.654 -1.000 10.272) 15.567 5.535 ( 4.698 -9.309 7.991) 13.137 5.723 ( 0.340 -11.094 7.252) 13.258 6.047 ( 8.390 -9.253 -0.873) 12.521 6.202 ( -7.559 -12.993 15.313) 21.458 6.457 ( -7.009 -19.169 16.505) 26.248 6.582 ( -8.069 -11.002 0.381) 13.649 7.252 ( 1.738 7.568 -5.058) 9.267 7.470 ( -8.312 17.109 -13.248) 23.180 8.407 ( 10.255 14.157 -11.595) 20.977 8.545 ( 0.336 14.297 2.929) 14.598 9.210 ( 17.183 0.551 2.739) 17.409 9.624 ( 4.127 1.895 -11.057) 11.953 9.782 ( 6.736 6.316 -12.791) 15.776 9.989 ( -7.386 0.331 -9.578) 12.100 10.097 ( -5.331 -2.850 4.056) 7.280 10.286 ( -10.213 -4.137 1.208) 11.085 10.628 ( 10.841 -0.423 -0.653) 10.869 10.768 ( 2.897 -0.774 5.875) 6.596 11.311 ( 9.603 -18.107 10.540) 23.048 11.892 ( -16.407 -15.674 2.030) 22.781 12.392 ( 7.255 20.449 -16.569) 27.301 12.618 ( -4.124 14.738 -7.088) 16.866 18.327 ( 5.014 1.166 19.547) 20.213 18.587 ( -9.354 -1.122 28.285) 29.812 19.430 ( 3.075 -3.061 -31.722) 32.017 19.534 ( -2.431 -1.983 -32.082) 32.235 20.563 ( 5.093 -3.224 18.212) 19.184 20.825 ( -8.155 -4.946 16.592) 19.138 21.581 ( 1.359 2.063 -2.838) 3.763 21.626 ( -1.096 2.043 -6.243) 6.660 ======================= Grid point 94 (24/75) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -6.440 2.785 0.846) 7.068 1.758 ( 6.440 2.785 0.846) 7.068 2.057 ( -8.162 4.315 8.757) 12.725 2.057 ( 8.162 4.315 8.757) 12.725 2.691 ( -4.728 -2.969 -1.433) 5.764 2.691 ( 4.728 -2.969 -1.433) 5.764 2.879 ( -2.819 0.769 1.008) 3.091 2.879 ( 2.819 0.769 1.008) 3.091 2.949 ( -4.880 0.118 -0.995) 4.982 2.949 ( 4.880 0.118 -0.995) 4.982 3.191 ( -3.284 1.062 0.295) 3.464 3.191 ( 3.284 1.062 0.295) 3.464 3.516 ( -0.248 -1.053 0.317) 1.127 3.516 ( 0.248 -1.053 0.317) 1.127 3.779 ( -4.251 -0.914 3.460) 5.557 3.779 ( 4.251 -0.914 3.460) 5.557 4.232 ( -19.665 8.320 -0.806) 21.368 4.232 ( 19.665 8.320 -0.806) 21.368 4.423 ( -2.340 -1.108 -1.161) 2.837 4.423 ( 2.340 -1.108 -1.161) 2.837 4.822 ( -10.762 -3.030 1.839) 11.331 4.822 ( 10.762 -3.030 1.839) 11.331 5.023 ( -9.882 1.262 7.061) 12.211 5.023 ( 9.882 1.262 7.061) 12.211 5.649 ( -6.588 -10.702 5.165) 13.587 5.649 ( 6.588 -10.702 5.165) 13.587 6.144 ( -2.049 -11.687 15.351) 19.402 6.144 ( 2.049 -11.687 15.351) 19.402 6.440 ( -5.440 -16.394 6.523) 18.464 6.440 ( 5.440 -16.394 6.523) 18.464 7.329 ( -6.200 14.859 -12.107) 20.144 7.329 ( 6.200 14.859 -12.107) 20.144 8.523 ( -3.056 15.666 -1.831) 16.066 8.523 ( 3.056 15.666 -1.831) 16.066 9.530 ( -14.255 -2.126 -5.981) 15.605 9.530 ( 14.255 -2.126 -5.981) 15.605 9.874 ( -3.827 4.372 -8.474) 10.275 9.874 ( 3.827 4.372 -8.474) 10.275 10.115 ( -6.474 -3.110 -0.383) 7.193 10.115 ( 6.474 -3.110 -0.383) 7.193 10.763 ( -3.586 -0.675 5.127) 6.293 10.763 ( 3.586 -0.675 5.127) 6.293 11.572 ( -16.708 -18.706 4.425) 25.469 11.572 ( 16.708 -18.706 4.425) 25.469 12.519 ( -6.173 19.303 -11.823) 23.463 12.519 ( 6.173 19.303 -11.823) 23.463 18.437 ( -6.757 0.387 23.064) 24.036 18.437 ( 6.757 0.387 23.064) 24.036 19.486 ( -2.764 -2.674 -32.601) 32.827 19.486 ( 2.764 -2.674 -32.601) 32.827 20.679 ( -7.126 -4.291 17.633) 19.496 20.679 ( 7.126 -4.291 17.633) 19.496 21.605 ( -1.193 2.122 -4.603) 5.207 21.605 ( 1.193 2.122 -4.603) 5.207 ======================= Grid point 101 (25/75) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 15.161 15.161 7.963) 22.872 1.435 ( 11.047 11.047 13.157) 20.425 2.209 ( -3.407 -3.407 -3.160) 5.762 2.376 ( 1.443 1.443 1.869) 2.767 2.390 ( 13.397 13.397 3.800) 19.323 2.671 ( 0.556 0.556 8.206) 8.243 2.753 ( 1.677 1.677 -0.837) 2.516 2.756 ( 1.416 1.416 0.779) 2.149 2.972 ( -1.986 -1.986 6.761) 7.321 3.094 ( 0.916 0.916 -1.495) 1.978 3.207 ( 4.587 4.587 -6.742) 9.357 3.223 ( 2.212 2.212 -5.119) 5.999 3.352 ( 1.986 1.986 2.510) 3.767 3.450 ( 0.027 0.027 0.173) 0.177 3.647 ( 0.351 0.351 8.374) 8.389 3.924 ( -4.763 -4.763 1.200) 6.842 3.984 ( 1.208 1.208 -1.947) 2.590 4.356 ( -0.244 -0.244 -7.674) 7.682 4.452 ( -0.132 -0.132 -12.146) 12.147 4.655 ( 7.782 7.782 1.963) 11.180 4.711 ( -6.556 -6.556 1.765) 9.438 4.991 ( -7.121 -7.121 0.661) 10.093 5.198 ( -4.176 -4.176 6.224) 8.580 5.404 ( -3.484 -3.484 20.489) 21.073 5.433 ( -4.268 -4.268 9.416) 11.184 5.575 ( -9.521 -9.521 12.667) 18.487 5.665 ( 3.805 3.805 -0.939) 5.463 6.200 ( -16.907 -16.907 10.599) 26.154 6.300 ( -17.928 -17.928 16.231) 30.104 6.559 ( -8.637 -8.637 -0.791) 12.241 7.312 ( 6.125 6.125 -2.373) 8.981 7.855 ( 4.994 4.994 -12.930) 14.733 8.331 ( 16.434 16.434 -23.379) 32.965 8.695 ( 7.558 7.558 2.772) 11.043 9.088 ( 7.720 7.720 7.858) 13.452 9.600 ( 6.878 6.878 -9.122) 13.335 9.767 ( 7.015 7.015 -11.943) 15.526 10.120 ( -1.823 -1.823 -23.034) 23.178 10.154 ( -8.163 -8.163 8.808) 14.520 10.340 ( -7.375 -7.375 0.748) 10.456 10.409 ( 9.130 9.130 4.212) 13.581 10.703 ( 1.711 1.711 3.063) 3.903 11.051 ( -5.849 -5.849 15.965) 17.981 11.900 ( -16.824 -16.824 0.970) 23.813 12.553 ( 14.455 14.455 -19.811) 28.467 12.804 ( 5.517 5.517 -6.035) 9.864 18.291 ( 2.972 2.972 18.386) 18.860 18.684 ( -7.049 -7.049 32.118) 33.630 19.347 ( -0.115 -0.115 -30.475) 30.475 19.538 ( -2.739 -2.739 -31.654) 31.890 20.473 ( 0.427 0.427 18.630) 18.640 20.854 ( -7.418 -7.418 16.594) 19.631 21.590 ( 1.935 1.935 -2.409) 3.646 21.664 ( 0.408 0.408 -7.437) 7.459 ======================= Grid point 102 (26/75) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 11.611 7.794 6.730) 15.520 1.698 ( 16.980 8.506 3.080) 19.240 2.127 ( -4.350 1.287 1.915) 4.924 2.343 ( -5.567 6.882 3.968) 9.700 2.577 ( 5.907 2.377 -3.138) 7.098 2.680 ( 0.273 -0.756 3.708) 3.794 2.771 ( 2.470 -1.613 1.868) 3.491 2.832 ( 3.024 -3.754 1.718) 5.117 2.937 ( -0.127 4.239 9.709) 10.594 3.097 ( -2.171 -1.390 -1.652) 3.062 3.152 ( -1.449 4.577 -4.699) 6.718 3.296 ( -1.014 2.220 -2.627) 3.586 3.421 ( 4.899 -2.002 -0.427) 5.309 3.484 ( 2.254 -0.377 -0.284) 2.303 3.663 ( 1.444 -3.572 7.552) 8.478 3.828 ( -5.060 -4.903 1.988) 7.321 4.147 ( 14.001 14.789 -2.262) 20.490 4.320 ( -0.750 -1.981 -2.046) 2.945 4.422 ( -5.375 -3.159 -2.206) 6.614 4.619 ( 0.659 -7.417 -5.459) 9.233 4.776 ( -2.825 5.330 -0.544) 6.056 4.833 ( -3.359 -3.715 3.607) 6.172 5.090 ( -8.282 4.037 8.020) 12.215 5.204 ( -11.242 -0.658 9.701) 14.864 5.374 ( 0.109 -5.482 18.266) 19.071 5.519 ( -0.057 -9.262 11.919) 15.094 5.826 ( 3.471 -13.781 8.381) 16.498 5.911 ( -7.138 -14.679 13.157) 20.965 6.053 ( -6.701 -20.876 15.131) 26.639 6.380 ( -10.475 -10.783 -0.779) 15.053 7.467 ( 9.730 14.020 -8.600) 19.110 7.821 ( -6.507 17.464 -14.644) 23.702 8.651 ( 14.472 10.564 -15.693) 23.818 8.802 ( 3.680 11.655 -1.052) 12.267 9.244 ( 9.845 3.227 5.351) 11.660 9.661 ( -3.292 0.474 -9.913) 10.456 9.887 ( 5.692 2.991 -12.174) 13.768 10.012 ( -3.532 1.008 6.479) 7.448 10.059 ( -3.948 1.896 -14.646) 15.287 10.188 ( -8.157 -5.269 1.832) 9.882 10.628 ( 10.670 0.780 1.850) 10.857 10.746 ( 2.361 -1.471 5.312) 5.996 11.015 ( 3.416 -12.663 11.584) 17.499 11.565 ( -18.528 -18.149 1.283) 25.967 12.763 ( 8.017 17.164 -17.463) 25.765 12.873 ( 1.656 11.819 -9.625) 15.332 18.358 ( 4.153 2.083 20.284) 20.810 18.555 ( -6.376 -2.133 27.284) 28.100 19.369 ( 2.220 -2.837 -31.128) 31.335 19.482 ( -3.154 -3.377 -32.789) 33.113 20.507 ( 3.144 -2.208 18.781) 19.170 20.712 ( -7.264 -6.435 18.048) 20.491 21.622 ( 1.406 1.997 -3.883) 4.587 21.661 ( -0.624 1.340 -6.573) 6.737 ======================= Grid point 103 (27/75) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -5.371 4.676 -1.136) 7.211 1.831 ( 5.371 4.676 -1.136) 7.211 2.173 ( -10.449 7.886 8.486) 15.601 2.173 ( 10.449 7.886 8.486) 15.601 2.651 ( -2.987 -1.092 -0.558) 3.229 2.651 ( 2.987 -1.092 -0.558) 3.229 2.830 ( -2.727 -4.257 2.406) 5.599 2.830 ( 2.727 -4.257 2.406) 5.599 2.998 ( -5.623 3.488 1.785) 6.853 2.998 ( 5.623 3.488 1.785) 6.853 3.219 ( -5.669 1.853 -1.586) 6.171 3.219 ( 5.669 1.853 -1.586) 6.171 3.490 ( -1.898 -1.698 -0.260) 2.560 3.490 ( 1.898 -1.698 -0.260) 2.560 3.729 ( -5.252 -4.945 3.507) 8.021 3.729 ( 5.252 -4.945 3.507) 8.021 4.291 ( -4.778 -2.941 0.466) 5.630 4.291 ( 4.778 -2.941 0.466) 5.630 4.532 ( -16.176 11.970 -2.336) 20.259 4.532 ( 16.176 11.970 -2.336) 20.259 4.736 ( -9.121 -5.195 0.992) 10.544 4.736 ( 9.121 -5.195 0.992) 10.544 5.058 ( -5.621 2.720 7.614) 9.847 5.058 ( 5.621 2.720 7.614) 9.847 5.446 ( -6.433 -9.087 13.897) 17.807 5.446 ( 6.433 -9.087 13.897) 17.807 5.823 ( -4.778 -18.973 20.567) 28.387 5.823 ( 4.778 -18.973 20.567) 28.387 6.167 ( -11.743 -13.102 0.231) 17.596 6.167 ( 11.743 -13.102 0.231) 17.596 7.658 ( -10.041 18.499 -12.796) 24.632 7.658 ( 10.041 18.499 -12.796) 24.632 8.815 ( -3.133 13.465 -6.705) 15.366 8.815 ( 3.133 13.465 -6.705) 15.366 9.475 ( -13.522 -3.565 -2.065) 14.135 9.475 ( 13.522 -3.565 -2.065) 14.135 9.978 ( -3.918 3.963 -13.857) 14.935 9.978 ( 3.918 3.963 -13.857) 14.935 10.055 ( -5.405 -0.450 3.785) 6.614 10.055 ( 5.405 -0.450 3.785) 6.614 10.747 ( -2.804 -0.954 5.387) 6.147 10.747 ( 2.804 -0.954 5.387) 6.147 11.223 ( -16.730 -17.765 3.872) 24.708 11.223 ( 16.730 -17.765 3.872) 24.708 12.863 ( -2.781 16.132 -13.669) 21.327 12.863 ( 2.781 16.132 -13.669) 21.327 18.446 ( -5.230 0.541 23.140) 23.730 18.446 ( 5.230 0.541 23.140) 23.730 19.422 ( -3.158 -3.784 -32.238) 32.612 19.422 ( 3.158 -3.784 -32.238) 32.612 20.590 ( -5.574 -4.582 18.746) 20.087 20.590 ( 5.574 -4.582 18.746) 20.087 21.645 ( -1.054 1.822 -5.329) 5.730 21.645 ( 1.054 1.822 -5.329) 5.730 ======================= Grid point 111 (28/75) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 7.688 7.688 1.785) 11.018 1.882 ( 8.326 8.326 -2.761) 12.094 2.170 ( 4.910 4.910 6.607) 9.585 2.444 ( 1.625 1.625 3.201) 3.940 2.612 ( 1.621 1.621 -0.902) 2.464 2.665 ( -0.882 -0.882 2.734) 3.005 2.752 ( -1.885 -1.885 6.167) 6.718 2.770 ( -0.889 -0.889 3.224) 3.460 3.009 ( 2.621 2.621 7.727) 8.570 3.071 ( -0.910 -0.910 -3.058) 3.318 3.201 ( 1.304 1.304 -4.965) 5.297 3.349 ( 2.030 2.030 -3.841) 4.796 3.373 ( -1.655 -1.655 3.630) 4.319 3.490 ( 0.524 0.524 -1.112) 1.336 3.584 ( -4.050 -4.050 6.081) 8.354 3.705 ( -7.378 -7.378 2.226) 10.669 4.238 ( -3.456 -3.456 7.678) 9.102 4.395 ( -7.606 -7.606 3.702) 11.375 4.429 ( 2.144 2.144 -6.998) 7.626 4.518 ( 17.482 17.482 -4.848) 25.195 4.691 ( -8.490 -8.490 3.295) 12.451 4.907 ( 5.628 5.628 1.063) 8.030 5.127 ( 1.151 1.151 7.658) 7.829 5.202 ( -5.278 -5.278 8.199) 11.088 5.311 ( -1.588 -1.588 23.888) 23.994 5.400 ( -2.837 -2.837 11.661) 12.332 5.628 ( -10.261 -10.261 20.087) 24.780 5.679 ( -8.902 -8.902 9.748) 15.922 5.766 ( -3.584 -3.584 5.502) 7.481 6.161 ( -12.559 -12.559 0.024) 17.761 7.742 ( 14.338 14.338 -11.614) 23.368 8.037 ( 3.862 3.862 -15.358) 16.301 8.832 ( 9.919 9.919 -14.166) 19.936 8.970 ( 5.926 5.926 -5.766) 10.173 9.317 ( 4.027 4.027 4.493) 7.254 9.583 ( -8.546 -8.546 -2.539) 12.349 9.899 ( 0.447 0.447 -12.978) 12.993 10.034 ( -5.613 -5.613 -12.133) 14.498 10.078 ( 6.054 6.054 5.348) 10.095 10.194 ( 3.407 3.407 -3.670) 6.057 10.678 ( 4.878 4.878 4.353) 8.157 10.724 ( -0.257 -0.257 4.979) 4.992 10.844 ( -5.236 -5.236 10.290) 12.678 11.224 ( -17.726 -17.726 1.632) 25.122 13.011 ( 8.956 8.956 -17.490) 21.595 13.047 ( 6.347 6.347 -12.966) 15.771 18.403 ( 2.645 2.645 21.484) 21.807 18.509 ( -2.736 -2.736 25.343) 25.637 19.338 ( -0.287 -0.287 -30.988) 30.990 19.415 ( -3.554 -3.554 -32.454) 32.841 20.489 ( 0.362 0.362 19.051) 19.057 20.599 ( -5.267 -5.267 19.067) 20.470 21.652 ( 1.217 1.217 -4.947) 5.237 21.674 ( 0.118 0.118 -6.399) 6.401 ======================= Grid point 112 (29/75) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -3.721 3.833 -3.723) 6.512 1.917 ( 3.721 3.833 -3.723) 6.512 2.345 ( -10.710 9.888 7.140) 16.232 2.345 ( 10.710 9.888 7.140) 16.232 2.644 ( -1.385 0.084 1.549) 2.079 2.644 ( 1.385 0.084 1.549) 2.079 2.750 ( -1.647 -4.102 5.409) 6.985 2.750 ( 1.647 -4.102 5.409) 6.985 3.045 ( -1.846 1.282 -1.188) 2.542 3.045 ( 1.846 1.282 -1.188) 2.542 3.266 ( -5.695 3.433 0.441) 6.664 3.266 ( 5.695 3.433 0.441) 6.664 3.450 ( -4.611 -2.604 0.807) 5.357 3.450 ( 4.611 -2.604 0.807) 5.357 3.583 ( -4.349 -9.730 2.771) 11.012 3.583 ( 4.349 -9.730 2.771) 11.012 4.244 ( -4.780 -0.635 7.563) 8.969 4.244 ( 4.780 -0.635 7.563) 8.969 4.534 ( -7.493 -7.830 -2.148) 11.049 4.534 ( 7.493 -7.830 -2.148) 11.049 4.856 ( -14.077 13.473 -1.854) 19.574 4.856 ( 14.077 13.473 -1.854) 19.574 5.127 ( -1.506 3.378 6.722) 7.672 5.127 ( 1.506 3.378 6.722) 7.672 5.336 ( -5.007 -2.758 21.245) 22.000 5.336 ( 5.007 -2.757 21.245) 22.000 5.532 ( -3.725 -10.277 14.867) 18.453 5.532 ( 3.725 -10.277 14.867) 18.453 5.916 ( -12.769 -13.289 1.567) 18.496 5.916 ( 12.769 -13.289 1.567) 18.496 7.973 ( -9.218 13.595 -14.155) 21.683 7.973 ( 9.218 13.595 -14.155) 21.683 8.992 ( -4.593 5.083 -11.040) 12.993 8.992 ( 4.593 5.083 -11.040) 12.993 9.413 ( -7.379 -2.397 2.650) 8.199 9.413 ( 7.379 -2.397 2.650) 8.199 9.939 ( -3.806 -3.339 -12.176) 13.187 9.939 ( 3.806 -3.339 -12.176) 13.187 10.186 ( -4.108 9.312 0.879) 10.216 10.186 ( 4.108 9.312 0.879) 10.216 10.730 ( -1.555 -0.819 5.637) 5.905 10.730 ( 1.555 -0.819 5.637) 5.905 10.919 ( -13.428 -13.802 3.956) 19.658 10.919 ( 13.428 -13.802 3.956) 19.658 13.101 ( -0.792 8.775 -15.844) 18.129 13.101 ( 0.792 8.775 -15.844) 18.129 18.456 ( -2.866 0.379 23.200) 23.379 18.456 ( 2.866 0.379 23.200) 23.379 19.358 ( -2.235 -2.645 -31.548) 31.737 19.358 ( 2.235 -2.645 -31.548) 31.737 20.521 ( -2.988 -2.560 19.255) 19.653 20.521 ( 2.988 -2.560 19.255) 19.653 21.669 ( -0.606 0.770 -5.811) 5.893 21.669 ( 0.606 0.770 -5.811) 5.893 ======================= Grid point 125 (30/75) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 0.000 -5.024) 5.024 1.955 ( 0.000 0.000 -5.024) 5.024 2.474 ( -0.000 -0.000 4.477) 4.477 2.474 ( 0.000 0.000 4.477) 4.477 2.648 ( -0.000 -0.000 2.549) 2.549 2.648 ( -0.000 -0.000 2.549) 2.549 2.690 ( -0.000 -0.000 8.636) 8.636 2.690 ( 0.000 0.000 8.636) 8.636 3.054 ( -0.000 -0.000 -4.316) 4.316 3.054 ( 0.000 0.000 -4.316) 4.316 3.329 ( 0.000 0.000 7.182) 7.182 3.329 ( 0.000 0.000 7.182) 7.182 3.406 ( -0.000 -0.000 -1.323) 1.323 3.406 ( 0.000 0.000 -1.323) 1.323 3.459 ( 0.000 0.000 2.354) 2.354 3.459 ( 0.000 0.000 2.354) 2.354 4.255 ( -0.000 -0.000 14.369) 14.369 4.255 ( 0.000 0.000 14.369) 14.369 4.438 ( 0.000 0.000 -6.950) 6.950 4.438 ( 0.000 0.000 -6.950) 6.950 5.052 ( -0.000 -0.000 0.182) 0.182 5.052 ( 0.000 0.000 0.182) 0.182 5.096 ( 0.000 0.000 8.185) 8.185 5.096 ( 0.000 0.000 8.185) 8.185 5.327 ( 0.000 0.000 16.232) 16.232 5.327 ( 0.000 0.000 16.232) 16.232 5.467 ( -0.000 -0.000 14.000) 14.000 5.467 ( -0.000 -0.000 14.000) 14.000 5.746 ( -0.000 -0.000 3.444) 3.444 5.746 ( 0.000 0.000 3.444) 3.444 8.113 ( -0.000 -0.000 -15.204) 15.204 8.113 ( 0.000 0.000 -15.204) 15.204 9.029 ( 0.000 0.000 -11.312) 11.312 9.029 ( 0.000 0.000 -11.312) 11.312 9.393 ( 0.000 0.000 3.623) 3.623 9.393 ( 0.000 0.000 3.623) 3.623 9.904 ( 0.000 0.000 -12.844) 12.844 9.904 ( 0.000 0.000 -12.844) 12.844 10.302 ( -0.000 -0.000 1.076) 1.076 10.302 ( 0.000 0.000 1.076) 1.076 10.715 ( -0.000 -0.000 5.403) 5.403 10.715 ( 0.000 0.000 5.403) 5.403 10.769 ( 0.000 0.000 4.367) 4.367 10.769 ( 0.000 0.000 4.367) 4.367 13.185 ( 0.000 0.000 -16.698) 16.698 13.185 ( 0.000 0.000 -16.698) 16.698 18.459 ( 0.000 0.000 23.219) 23.219 18.459 ( 0.000 0.000 23.219) 23.219 19.332 ( 0.000 0.000 -31.191) 31.191 19.332 ( 0.000 0.000 -31.191) 31.191 20.497 ( 0.000 0.000 19.339) 19.339 20.497 ( 0.000 0.000 19.339) 19.339 21.676 ( 0.000 0.000 -5.961) 5.961 21.676 ( 0.000 0.000 -5.961) 5.961 ======================= Grid point 162 (31/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 0.000 24.270) 24.270 1.081 ( 0.000 -0.000 24.270) 24.270 2.190 ( 0.000 0.000 42.106) 42.106 2.287 ( 0.000 0.000 -7.892) 7.892 2.403 ( 0.000 0.000 0.107) 0.107 2.464 ( 0.000 0.000 -5.080) 5.080 2.464 ( 0.000 0.000 -5.080) 5.080 2.749 ( -0.000 -0.000 -5.307) 5.307 2.749 ( 0.000 0.000 -5.307) 5.307 3.090 ( 0.000 0.000 -3.186) 3.186 3.090 ( 0.000 0.000 -3.186) 3.186 3.415 ( 0.000 0.000 5.221) 5.221 3.455 ( 0.000 0.000 7.407) 7.407 3.510 ( 0.000 0.000 -21.515) 21.515 3.589 ( 0.000 0.000 -3.536) 3.536 3.589 ( 0.000 0.000 -3.536) 3.536 4.215 ( 0.000 0.000 8.324) 8.324 4.215 ( 0.000 -0.000 8.324) 8.324 4.281 ( 0.000 0.000 5.611) 5.611 4.689 ( 0.000 0.000 -0.827) 0.827 4.964 ( 0.000 0.000 -7.512) 7.512 4.964 ( 0.000 0.000 -7.512) 7.512 5.320 ( -0.000 -0.000 8.013) 8.013 5.612 ( 0.000 0.000 -5.883) 5.883 5.715 ( 0.000 0.000 -4.870) 4.870 5.715 ( -0.000 -0.000 -4.870) 4.870 6.212 ( 0.000 0.000 -15.081) 15.081 6.215 ( 0.000 0.000 9.920) 9.920 6.215 ( -0.000 -0.000 9.920) 9.920 6.876 ( -0.000 -0.000 -1.826) 1.826 7.857 ( 0.000 0.000 7.939) 7.939 8.088 ( 0.000 0.000 18.232) 18.232 8.088 ( 0.000 0.000 18.232) 18.232 8.436 ( 0.000 0.000 -9.337) 9.337 8.471 ( 0.000 0.000 5.501) 5.501 8.939 ( 0.000 0.000 -15.727) 15.727 8.939 ( -0.000 -0.000 -15.727) 15.727 9.877 ( 0.000 0.000 -18.091) 18.091 9.891 ( -0.000 -0.000 3.916) 3.916 9.891 ( -0.000 -0.000 3.916) 3.916 10.696 ( 0.000 0.000 9.271) 9.271 10.969 ( 0.000 0.000 8.298) 8.298 11.655 ( 0.000 0.000 12.907) 12.907 11.886 ( 0.000 0.000 -2.951) 2.951 12.657 ( 0.000 0.000 3.102) 3.102 12.657 ( 0.000 0.000 3.102) 3.102 18.605 ( -0.000 -0.000 25.355) 25.355 18.730 ( 0.000 0.000 -26.624) 26.624 18.730 ( -0.000 -0.000 -26.624) 26.624 20.768 ( 0.000 0.000 10.886) 10.886 20.768 ( 0.000 0.000 10.886) 10.886 21.102 ( 0.000 0.000 -0.295) 0.295 21.380 ( 0.000 0.000 -16.140) 16.140 21.464 ( -0.000 -0.000 -0.854) 0.854 ======================= Grid point 163 (32/75) ======================= q-point: ( 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 10.484 0.000 21.120) 23.579 1.245 ( 14.990 0.000 20.845) 25.675 2.215 ( 2.808 0.000 27.880) 28.021 2.254 ( -2.927 0.000 -6.641) 7.258 2.363 ( -0.627 0.000 3.196) 3.257 2.530 ( 6.261 0.000 -5.638) 8.426 2.580 ( 7.670 0.000 1.297) 7.779 2.754 ( 0.493 0.000 -5.098) 5.122 2.822 ( 8.048 0.000 -5.756) 9.894 3.034 ( -6.023 0.000 4.411) 7.466 3.044 ( -4.042 0.000 -5.082) 6.494 3.275 ( -6.571 0.000 5.893) 8.826 3.396 ( -1.905 0.000 4.482) 4.870 3.478 ( -0.037 0.000 -6.958) 6.958 3.701 ( 3.470 0.000 -5.510) 6.512 3.768 ( 14.304 0.000 -10.811) 17.930 4.134 ( -5.669 0.000 5.875) 8.164 4.245 ( 0.963 0.000 3.829) 3.948 4.380 ( 7.519 0.000 5.571) 9.358 4.434 ( -14.897 0.000 -1.642) 14.987 4.920 ( -4.728 0.000 -5.529) 7.275 5.255 ( -6.512 0.000 5.110) 8.278 5.273 ( 20.200 0.000 -2.975) 20.418 5.466 ( -6.464 0.000 -2.433) 6.906 5.746 ( 3.025 0.000 -0.336) 3.043 5.992 ( 8.720 0.000 14.466) 16.891 6.118 ( -2.761 0.000 -10.803) 11.151 6.220 ( 0.923 0.000 8.124) 8.176 6.445 ( 21.555 0.000 -19.609) 29.140 6.835 ( -4.201 0.000 -1.979) 4.644 7.642 ( -17.088 0.000 10.999) 20.322 7.864 ( -12.989 0.000 6.883) 14.700 7.960 ( -11.957 0.000 18.738) 22.229 8.476 ( 0.300 0.000 3.690) 3.702 8.712 ( 15.936 0.000 -0.948) 15.964 9.004 ( 7.136 0.000 -18.173) 19.524 9.028 ( 7.967 0.000 -14.898) 16.894 9.814 ( -3.255 0.000 -13.048) 13.448 10.024 ( 10.364 0.000 -2.013) 10.558 10.081 ( 18.131 0.000 1.619) 18.203 10.652 ( -4.514 0.000 9.577) 10.588 10.938 ( -3.557 0.000 9.400) 10.050 11.680 ( 2.655 0.000 13.324) 13.586 11.800 ( -7.914 0.000 -4.894) 9.305 12.601 ( -5.865 0.000 1.455) 6.043 12.610 ( -5.049 0.000 3.103) 5.926 18.633 ( 2.907 0.000 25.721) 25.885 18.739 ( 0.958 0.000 -26.790) 26.807 18.739 ( 0.932 0.000 -26.501) 26.518 20.366 ( -30.365 0.000 19.594) 36.138 20.777 ( 0.958 0.000 10.526) 10.569 21.217 ( 3.270 0.000 0.562) 3.318 21.383 ( 0.370 0.000 -15.578) 15.582 21.476 ( 1.153 0.000 -1.843) 2.174 ======================= Grid point 164 (33/75) ======================= q-point: ( 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 15.234 0.000 14.954) 21.347 1.541 ( 14.404 0.000 17.571) 22.721 2.193 ( -3.214 0.000 -3.000) 4.397 2.278 ( 2.360 0.000 1.767) 2.948 2.405 ( 5.431 0.000 11.483) 12.703 2.672 ( 8.008 0.000 -6.580) 10.364 2.700 ( 5.157 0.000 -0.187) 5.161 2.764 ( 0.533 0.000 -4.971) 4.999 2.911 ( -2.945 0.000 8.134) 8.651 2.964 ( -4.096 0.000 -3.923) 5.672 3.071 ( 13.982 0.000 5.828) 15.148 3.251 ( 3.125 0.000 0.449) 3.157 3.364 ( -1.395 0.000 6.186) 6.341 3.488 ( 0.614 0.000 -2.799) 2.865 3.730 ( 1.193 0.000 -5.884) 6.004 4.002 ( -4.737 0.000 1.505) 4.970 4.089 ( 15.359 0.000 -5.137) 16.195 4.111 ( -12.230 0.000 -1.491) 12.321 4.323 ( 0.648 0.000 3.965) 4.018 4.541 ( 9.005 0.000 2.810) 9.433 4.796 ( -7.630 0.000 -1.168) 7.719 5.080 ( -11.891 0.000 2.305) 12.113 5.343 ( -7.523 0.000 -1.110) 7.604 5.620 ( 14.791 0.000 -2.445) 14.992 5.819 ( 4.492 0.000 8.493) 9.608 5.885 ( -10.875 0.000 15.830) 19.206 6.165 ( 1.834 0.000 2.881) 3.415 6.273 ( 5.334 0.000 2.994) 6.117 6.727 ( -6.860 0.000 -2.811) 7.414 6.760 ( 5.176 0.000 -14.317) 15.224 7.504 ( -6.313 0.000 6.922) 9.368 7.670 ( 4.814 0.000 -7.555) 8.958 7.691 ( -15.787 0.000 19.243) 24.890 8.475 ( -0.750 0.000 1.967) 2.105 8.947 ( 10.672 0.000 -1.509) 10.778 9.186 ( 7.979 0.000 -15.667) 17.582 9.187 ( 10.961 0.000 -17.178) 20.377 9.746 ( -4.079 0.000 -15.614) 16.138 10.263 ( 13.436 0.000 -0.366) 13.441 10.444 ( 15.333 0.000 1.742) 15.431 10.545 ( -5.467 0.000 9.886) 11.297 10.842 ( -4.618 0.000 9.182) 10.278 11.660 ( -4.948 0.000 -10.754) 11.837 11.753 ( 5.105 0.000 13.979) 14.882 12.441 ( -11.069 0.000 -3.080) 11.489 12.470 ( -9.539 0.000 3.710) 10.235 18.709 ( 4.741 0.000 22.122) 22.625 18.760 ( 1.131 0.000 -25.578) 25.603 18.768 ( 2.504 0.000 -23.186) 23.321 19.812 ( -26.654 0.000 27.202) 38.084 20.808 ( 2.485 0.000 9.605) 9.921 21.197 ( -4.084 0.000 3.074) 5.111 21.394 ( 0.779 0.000 -14.042) 14.064 21.488 ( -0.234 0.000 -3.670) 3.678 ======================= Grid point 165 (34/75) ======================= q-point: ( 0.38 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 11.985 0.000 8.830) 14.887 1.751 ( 7.815 0.000 13.731) 15.799 2.148 ( -0.963 0.000 3.307) 3.445 2.271 ( -2.963 0.000 2.228) 3.707 2.544 ( 8.014 0.000 0.915) 8.066 2.756 ( -1.640 0.000 -6.619) 6.820 2.794 ( 3.150 0.000 -5.648) 6.467 2.800 ( 5.462 0.000 -3.799) 6.653 2.875 ( -0.766 0.000 6.469) 6.514 2.917 ( 0.260 0.000 0.182) 0.318 3.234 ( 3.510 0.000 8.952) 9.616 3.333 ( -2.306 0.000 7.936) 8.264 3.415 ( 9.288 0.000 -1.972) 9.495 3.498 ( 0.467 0.000 -2.858) 2.896 3.834 ( 11.863 0.000 -2.879) 12.207 3.877 ( -6.004 0.000 -0.099) 6.005 3.916 ( -6.696 0.000 2.185) 7.044 4.355 ( 2.810 0.000 3.500) 4.489 4.377 ( 8.800 0.000 -1.259) 8.889 4.613 ( -7.241 0.000 2.809) 7.767 4.692 ( -0.165 0.000 2.666) 2.672 4.920 ( 2.769 0.000 2.203) 3.538 5.164 ( -11.698 0.000 0.198) 11.699 5.500 ( -19.388 0.000 10.029) 21.828 5.907 ( 4.786 0.000 14.830) 15.583 5.978 ( 12.680 0.000 2.038) 12.842 6.141 ( -2.677 0.000 9.089) 9.475 6.390 ( 2.501 0.000 -1.148) 2.752 6.629 ( 0.986 0.000 -4.751) 4.853 6.841 ( 7.712 0.000 -2.302) 8.049 7.209 ( -18.240 0.000 5.545) 19.065 7.384 ( -16.497 0.000 18.077) 24.473 8.011 ( 19.479 0.000 -11.493) 22.617 8.433 ( -4.198 0.000 -0.018) 4.198 9.150 ( 10.671 0.000 -8.201) 13.459 9.308 ( 4.354 0.000 -17.170) 17.713 9.383 ( 9.595 0.000 -14.362) 17.272 9.658 ( -5.337 0.000 -16.629) 17.465 10.334 ( -4.536 0.000 11.366) 12.238 10.460 ( -9.427 0.000 10.303) 13.964 10.634 ( 13.624 0.000 1.142) 13.672 10.888 ( 4.720 0.000 4.280) 6.372 11.672 ( 7.070 0.000 -17.030) 18.439 11.873 ( 7.709 0.000 13.420) 15.477 12.194 ( -14.825 0.000 -9.496) 17.606 12.265 ( -11.800 0.000 5.915) 13.200 18.766 ( 1.417 0.000 -15.134) 15.200 18.777 ( 0.625 0.000 -24.489) 24.497 18.875 ( 8.769 0.000 14.706) 17.122 19.383 ( -19.088 0.000 27.010) 33.074 20.873 ( 4.487 0.000 8.400) 9.524 21.095 ( -6.326 0.000 5.262) 8.228 21.413 ( 1.226 0.000 -11.827) 11.890 21.470 ( -1.465 0.000 -6.242) 6.411 ======================= Grid point 166 (35/75) ======================= q-point: (-0.50 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -0.233 0.000 7.546) 7.550 1.829 ( 0.233 0.000 7.546) 7.550 2.186 ( -4.804 0.000 6.797) 8.324 2.186 ( 4.804 0.000 6.797) 8.324 2.678 ( -6.023 0.000 -5.336) 8.046 2.678 ( 6.023 0.000 -5.336) 8.046 2.825 ( -1.216 0.000 -1.200) 1.708 2.825 ( 1.216 0.000 -1.200) 1.708 2.921 ( -2.408 0.000 0.130) 2.411 2.921 ( 2.408 0.000 0.130) 2.411 3.282 ( -2.485 0.000 7.155) 7.574 3.282 ( 2.485 0.000 7.155) 7.574 3.497 ( -1.128 0.000 -3.390) 3.573 3.497 ( 1.128 0.000 -3.390) 3.573 3.820 ( -0.720 0.000 -0.339) 0.796 3.820 ( 0.720 0.000 -0.339) 0.796 4.206 ( -21.161 0.000 4.366) 21.607 4.206 ( 21.161 0.000 4.366) 21.607 4.436 ( -5.956 0.000 1.713) 6.197 4.436 ( 5.956 0.000 1.713) 6.197 4.902 ( -15.783 0.000 3.398) 16.145 4.902 ( 15.783 0.000 3.398) 16.145 5.141 ( -16.891 0.000 5.221) 17.680 5.141 ( 16.891 0.000 5.221) 17.680 6.002 ( -5.174 0.000 15.986) 16.803 6.002 ( 5.174 0.000 15.986) 16.803 6.268 ( -11.337 0.000 -3.611) 11.898 6.268 ( 11.337 0.000 -3.611) 11.898 6.839 ( -15.891 0.000 -7.085) 17.398 6.839 ( 15.891 0.000 -7.085) 17.398 7.090 ( -13.421 0.000 16.619) 21.362 7.090 ( 13.421 0.000 16.619) 21.362 8.296 ( -10.822 0.000 -4.724) 11.808 8.296 ( 10.822 0.000 -4.724) 11.808 9.310 ( -4.873 0.000 -15.073) 15.841 9.310 ( 4.873 0.000 -15.073) 15.841 9.542 ( -7.182 0.000 -15.323) 16.923 9.542 ( 7.182 0.000 -15.323) 16.923 10.309 ( -3.846 0.000 12.376) 12.960 10.309 ( 3.846 0.000 12.376) 12.960 10.856 ( -8.015 0.000 2.970) 8.547 10.856 ( 8.015 0.000 2.970) 8.547 11.900 ( -15.139 0.000 -14.712) 21.110 11.900 ( 15.139 0.000 -14.712) 21.110 12.049 ( -10.488 0.000 9.147) 13.916 12.049 ( 10.488 0.000 9.147) 13.916 18.781 ( -0.258 0.000 -22.487) 22.488 18.781 ( 0.258 0.000 -22.487) 22.488 19.082 ( -13.265 0.000 23.422) 26.918 19.082 ( 13.265 0.000 23.422) 26.918 20.975 ( -6.125 0.000 6.999) 9.301 20.975 ( 6.125 0.000 6.999) 9.301 21.440 ( -1.584 0.000 -9.153) 9.289 21.440 ( 1.584 0.000 -9.153) 9.289 ======================= Grid point 172 (36/75) ======================= q-point: ( 0.12 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 7.539 7.539 20.304) 22.933 1.394 ( 11.631 11.631 18.324) 24.624 2.223 ( -2.328 -2.328 -5.222) 6.173 2.248 ( 3.365 3.365 19.552) 20.123 2.360 ( 0.195 0.195 -1.025) 1.061 2.615 ( 6.144 6.144 4.612) 9.838 2.625 ( 4.424 4.424 -3.008) 6.942 2.825 ( 5.173 5.173 -4.863) 8.785 2.842 ( 5.224 5.224 -5.040) 8.943 2.978 ( -4.182 -4.182 9.157) 10.901 3.033 ( -1.879 -1.879 -7.416) 7.877 3.231 ( -2.455 -2.455 6.305) 7.198 3.406 ( -0.111 -0.111 4.773) 4.775 3.437 ( -1.589 -1.589 -5.696) 6.124 3.736 ( 0.863 0.863 -1.693) 2.087 3.871 ( 10.667 10.667 -11.612) 19.037 4.164 ( -2.585 -2.585 8.119) 8.904 4.169 ( -2.803 -2.803 -2.315) 4.590 4.304 ( -6.858 -6.858 -0.797) 9.732 4.468 ( 5.418 5.418 5.426) 9.389 4.932 ( -1.800 -1.800 -4.568) 5.230 5.188 ( -6.410 -6.410 2.242) 9.338 5.359 ( 8.731 8.731 -2.220) 12.545 5.421 ( -2.892 -2.892 -1.314) 4.296 5.695 ( -0.660 -0.660 0.064) 0.935 6.018 ( -1.104 -1.104 24.380) 24.430 6.081 ( -3.266 -3.266 8.751) 9.895 6.373 ( 2.929 2.929 -7.522) 8.587 6.614 ( 20.778 20.778 -24.634) 38.344 6.802 ( -2.346 -2.346 -4.577) 5.653 7.560 ( -13.769 -13.769 12.634) 23.212 7.585 ( -9.214 -9.214 7.536) 15.052 7.913 ( -9.964 -9.964 12.990) 19.165 8.534 ( 3.452 3.452 1.193) 5.025 8.833 ( 9.829 9.829 -0.577) 13.912 9.088 ( 6.638 6.638 -13.781) 16.674 9.092 ( 7.961 7.961 -19.052) 22.129 9.794 ( -2.637 -2.637 -16.041) 16.469 10.121 ( 10.131 10.131 4.632) 15.057 10.191 ( 11.160 11.160 -3.414) 16.148 10.609 ( -4.436 -4.436 9.958) 11.769 10.903 ( -3.783 -3.783 10.044) 11.380 11.585 ( -7.605 -7.605 8.009) 13.409 11.864 ( 5.126 5.126 -1.930) 7.502 12.460 ( -10.249 -10.249 2.564) 14.719 12.652 ( -0.170 -0.170 0.415) 0.479 18.659 ( 2.781 2.781 25.920) 26.217 18.730 ( -0.043 -0.043 -26.726) 26.726 18.761 ( 1.311 1.311 -26.411) 26.476 20.137 ( -20.884 -20.884 24.190) 38.176 20.768 ( 0.051 0.051 10.568) 10.568 21.223 ( -0.971 -0.971 1.644) 2.142 21.391 ( 0.843 0.843 -15.393) 15.439 21.489 ( 0.975 0.975 -2.632) 2.971 ======================= Grid point 173 (37/75) ======================= q-point: ( 0.25 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 14.925 3.455 15.217) 21.593 1.613 ( 10.653 5.995 16.234) 20.322 2.181 ( -2.012 -0.863 -2.084) 3.022 2.318 ( 2.660 3.924 1.065) 4.858 2.391 ( 3.778 -0.199 4.337) 5.755 2.702 ( 2.836 0.268 -2.148) 3.568 2.714 ( 4.959 1.502 -2.594) 5.795 2.875 ( 1.883 9.046 -2.513) 9.576 2.905 ( -0.878 2.519 6.932) 7.428 2.980 ( -3.231 1.062 -5.756) 6.685 3.095 ( 13.975 3.078 8.688) 16.741 3.227 ( 2.537 -2.228 0.970) 3.513 3.386 ( 0.270 2.166 5.218) 5.657 3.452 ( 1.556 -3.097 -2.127) 4.066 3.726 ( -0.400 -0.530 -2.629) 2.712 4.020 ( -7.913 0.034 0.639) 7.938 4.084 ( -6.655 -1.779 4.494) 8.225 4.121 ( 13.491 4.235 -4.187) 14.747 4.297 ( 3.892 -1.721 -0.636) 4.303 4.593 ( 7.300 4.839 3.217) 9.330 4.827 ( -8.248 0.615 -1.417) 8.392 5.036 ( -9.684 -3.372 0.259) 10.257 5.317 ( -6.226 -2.405 -0.426) 6.688 5.592 ( 9.607 -1.012 0.372) 9.667 5.736 ( 5.397 -4.662 3.842) 8.101 5.900 ( -9.202 0.656 19.858) 21.896 6.063 ( 0.181 -7.401 14.590) 16.361 6.381 ( -0.179 2.899 -2.250) 3.674 6.666 ( -6.724 -5.298 -1.991) 8.789 6.852 ( -2.309 1.803 -2.941) 4.151 7.394 ( -11.211 -5.638 2.078) 12.720 7.550 ( 1.212 -1.156 6.441) 6.656 7.743 ( 5.539 -0.836 -3.841) 6.792 8.570 ( 0.522 7.009 -1.273) 7.143 9.007 ( 8.706 5.438 -2.549) 10.577 9.227 ( 6.960 5.229 -14.972) 17.318 9.274 ( 10.202 7.554 -16.974) 21.196 9.728 ( -3.956 -1.865 -16.609) 17.175 10.329 ( 9.980 6.570 1.846) 12.090 10.445 ( 10.907 0.193 2.786) 11.259 10.506 ( -4.516 -3.886 10.081) 11.710 10.813 ( -3.368 -2.941 8.119) 9.269 11.454 ( -5.154 -11.559 2.913) 12.987 11.978 ( 7.045 13.655 -2.362) 15.546 12.225 ( -14.486 -14.188 1.325) 20.320 12.603 ( -4.944 5.443 -2.367) 7.725 18.728 ( 3.146 1.473 9.162) 9.798 18.741 ( 1.947 -0.585 -15.837) 15.967 18.789 ( 2.179 1.319 -19.618) 19.783 19.714 ( -21.915 -9.667 28.747) 37.418 20.788 ( 2.094 -1.433 9.941) 10.260 21.166 ( -4.765 -3.271 3.756) 6.893 21.409 ( 0.961 1.330 -14.132) 14.227 21.496 ( -0.343 0.638 -4.427) 4.486 ======================= Grid point 174 (38/75) ======================= q-point: ( 0.38 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 11.819 1.987 8.581) 14.740 1.775 ( 6.369 2.301 12.434) 14.158 2.162 ( 0.740 1.621 4.011) 4.389 2.316 ( -2.782 4.476 2.376) 5.781 2.500 ( 7.050 -2.202 -1.739) 7.588 2.733 ( -1.201 -2.206 -4.532) 5.181 2.790 ( 3.516 0.438 -2.921) 4.592 2.884 ( 0.587 0.722 3.830) 3.941 2.918 ( 0.700 8.345 -3.627) 9.126 2.934 ( -1.224 1.957 -1.199) 2.601 3.227 ( 2.664 -0.635 7.895) 8.356 3.291 ( 0.675 -3.151 1.906) 3.744 3.458 ( 3.759 2.809 4.467) 6.479 3.476 ( 1.047 -1.585 -2.441) 3.093 3.839 ( 14.328 0.781 -0.038) 14.349 3.898 ( -4.160 2.591 2.190) 5.368 3.966 ( -4.387 4.358 3.509) 7.110 4.290 ( 4.030 -2.992 1.649) 5.284 4.441 ( 7.548 2.938 0.235) 8.103 4.629 ( -10.202 0.805 1.065) 10.289 4.710 ( 0.791 1.719 2.837) 3.410 4.907 ( 1.920 -0.407 2.072) 2.854 5.172 ( -8.794 0.989 1.564) 8.986 5.486 ( -17.138 -1.499 10.963) 20.400 5.836 ( 3.383 -4.692 16.068) 17.077 5.942 ( 10.102 -3.535 4.200) 11.497 6.047 ( -0.203 -8.338 9.611) 12.725 6.388 ( -2.237 -2.604 1.109) 3.608 6.564 ( 0.809 -7.195 -1.560) 7.406 6.838 ( 1.531 -11.970 15.508) 19.650 7.158 ( -11.971 6.464 -10.262) 17.041 7.340 ( -13.736 -1.185 12.825) 18.830 8.122 ( 20.954 9.467 -13.909) 26.872 8.549 ( -3.271 9.512 -2.952) 10.483 9.174 ( 8.891 2.235 -7.391) 11.776 9.322 ( 2.800 2.319 -16.915) 17.302 9.450 ( 8.042 5.956 -15.440) 18.400 9.652 ( -4.113 -0.475 -16.761) 17.265 10.318 ( -5.439 -1.744 12.212) 13.482 10.423 ( -8.861 -3.635 10.664) 14.333 10.642 ( 13.153 1.188 1.462) 13.287 10.876 ( 5.119 -1.338 3.980) 6.620 11.432 ( 4.053 -15.198 -1.564) 15.807 11.925 ( -16.701 -16.859 0.092) 23.731 12.130 ( 8.762 16.540 -4.511) 19.253 12.475 ( -8.271 11.011 -4.816) 14.589 18.754 ( 1.080 -1.253 -24.146) 24.203 18.775 ( 0.417 -0.244 -19.228) 19.234 18.889 ( 8.163 1.477 18.580) 20.347 19.348 ( -16.764 -3.502 28.366) 33.135 20.848 ( 4.175 -2.314 8.922) 10.119 21.059 ( -6.223 -3.480 5.940) 9.280 21.428 ( 1.121 1.363 -12.213) 12.340 21.479 ( -1.331 0.778 -6.998) 7.166 ======================= Grid point 175 (39/75) ======================= q-point: (-0.50 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.270 1.043 6.840) 6.924 1.840 ( 0.270 1.043 6.840) 6.924 2.229 ( -5.549 4.369 6.834) 9.827 2.229 ( 5.549 4.369 6.834) 9.827 2.639 ( -7.195 -2.395 -3.795) 8.479 2.639 ( 7.195 -2.395 -3.795) 8.479 2.860 ( -3.267 1.371 -3.114) 4.717 2.860 ( 3.267 1.371 -3.114) 4.717 2.932 ( -0.943 1.649 0.457) 1.954 2.932 ( 0.943 1.649 0.457) 1.954 3.267 ( -2.187 -1.236 5.049) 5.640 3.267 ( 2.187 -1.236 5.049) 5.640 3.487 ( -0.620 -0.159 -1.671) 1.789 3.487 ( 0.620 -0.159 -1.671) 1.789 3.874 ( -1.735 3.093 4.230) 5.520 3.874 ( 1.735 3.093 4.230) 5.520 4.223 ( -17.735 2.638 0.301) 17.933 4.223 ( 17.735 2.638 0.301) 17.933 4.442 ( -1.722 1.029 2.946) 3.564 4.442 ( 1.722 1.029 2.946) 3.564 4.889 ( -11.790 -1.241 4.786) 12.784 4.889 ( 11.790 -1.241 4.786) 12.784 5.165 ( -13.385 2.232 5.904) 14.799 5.165 ( 13.385 2.232 5.904) 14.799 5.920 ( -4.999 -6.764 16.808) 18.795 5.920 ( 4.999 -6.764 16.808) 18.795 6.226 ( -11.979 -4.789 -2.625) 13.165 6.226 ( 11.979 -4.789 -2.625) 13.165 6.740 ( -12.426 -15.071 10.054) 21.969 6.740 ( 12.426 -15.071 10.054) 21.969 7.118 ( -8.384 8.615 -0.051) 12.021 7.118 ( 8.384 8.615 -0.051) 12.021 8.422 ( -10.870 10.872 -7.231) 16.989 8.422 ( 10.870 10.872 -7.231) 16.989 9.311 ( -4.467 0.167 -14.372) 15.052 9.311 ( 4.467 0.167 -14.372) 15.052 9.570 ( -4.920 2.774 -15.930) 16.902 9.570 ( 4.920 2.774 -15.930) 16.902 10.286 ( -3.371 -2.124 12.714) 13.324 10.286 ( 3.371 -2.124 12.714) 13.324 10.852 ( -7.535 -0.426 3.070) 8.148 10.852 ( 7.535 -0.426 3.070) 8.148 11.620 ( -14.622 -17.938 -1.762) 23.209 11.620 ( 14.622 -17.938 -1.762) 23.209 12.305 ( -9.521 15.351 -5.577) 18.905 12.305 ( 9.521 15.351 -5.577) 18.905 18.771 ( -0.676 -1.032 -23.801) 23.833 18.771 ( 0.676 -1.032 -23.801) 23.833 19.079 ( -12.044 -0.241 25.510) 28.211 19.079 ( 12.044 -0.241 25.510) 28.211 20.943 ( -5.835 -3.006 7.643) 10.075 20.943 ( 5.835 -3.006 7.643) 10.075 21.452 ( -1.402 1.103 -9.761) 9.922 21.452 ( 1.402 1.103 -9.761) 9.922 ======================= Grid point 182 (40/75) ======================= q-point: ( 0.25 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 10.340 10.340 12.232) 19.065 1.730 ( 6.015 6.015 13.918) 16.312 2.174 ( 0.407 0.407 0.823) 1.004 2.404 ( 4.233 4.233 -2.100) 6.344 2.413 ( 2.468 2.468 1.170) 3.682 2.690 ( -0.846 -0.846 -3.472) 3.672 2.753 ( 2.718 2.718 -1.412) 4.094 2.896 ( 0.629 0.629 6.861) 6.918 2.984 ( -0.842 -0.842 -9.159) 9.236 3.098 ( 7.082 7.082 -2.932) 10.436 3.175 ( -2.200 -2.200 0.048) 3.112 3.188 ( 4.409 4.409 14.536) 15.817 3.386 ( -0.938 -0.938 -5.325) 5.488 3.473 ( 5.391 5.391 7.898) 10.977 3.736 ( 3.029 3.029 -0.159) 4.286 4.004 ( 0.042 0.042 5.470) 5.470 4.022 ( -4.588 -4.588 7.853) 10.187 4.271 ( 9.104 9.104 0.538) 12.886 4.282 ( 1.582 1.582 -3.701) 4.325 4.702 ( 6.230 6.230 1.947) 9.024 4.734 ( -9.146 -9.146 -0.251) 12.937 4.995 ( -2.489 -2.489 -0.166) 3.524 5.268 ( -2.865 -2.865 0.773) 4.125 5.652 ( 5.041 5.041 -0.180) 7.131 5.652 ( -3.085 -3.085 9.030) 10.029 5.892 ( -6.484 -6.484 16.287) 18.691 5.910 ( -2.971 -2.971 23.756) 24.124 6.360 ( -3.811 -3.811 2.936) 6.137 6.531 ( -8.988 -8.988 -1.746) 12.830 6.662 ( -14.331 -14.331 16.262) 25.985 7.362 ( -2.362 -2.362 3.798) 5.058 7.585 ( -4.034 -4.034 -6.037) 8.306 7.871 ( 21.442 21.442 -18.245) 35.389 8.672 ( 3.690 3.690 -5.343) 7.468 9.118 ( 5.866 5.866 -4.937) 9.653 9.343 ( 5.692 5.692 -14.693) 16.753 9.435 ( 8.406 8.406 -16.331) 20.200 9.683 ( -2.518 -2.518 -17.863) 18.215 10.389 ( -5.437 -5.437 12.301) 14.507 10.426 ( -2.147 -2.147 5.899) 6.635 10.517 ( 8.862 8.862 5.486) 13.681 10.764 ( -0.375 -0.375 3.184) 3.228 11.274 ( -7.523 -7.523 4.437) 11.527 11.927 ( -17.147 -17.147 1.465) 24.293 12.220 ( 11.729 11.729 -9.235) 18.985 12.663 ( 1.009 1.009 -6.514) 6.669 18.724 ( -0.278 -0.278 -26.827) 26.830 18.765 ( 0.869 0.869 -8.291) 8.381 18.831 ( 3.769 3.769 9.696) 11.065 19.493 ( -12.697 -12.697 30.826) 35.675 20.776 ( 0.369 0.369 10.038) 10.051 21.083 ( -5.230 -5.230 5.542) 9.243 21.434 ( 1.189 1.189 -13.805) 13.907 21.502 ( -0.189 -0.189 -6.332) 6.338 ======================= Grid point 183 (41/75) ======================= q-point: ( 0.38 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 8.394 4.205 5.790) 11.030 1.826 ( 3.866 2.786 9.584) 10.703 2.218 ( 4.932 4.651 6.584) 9.450 2.423 ( -1.654 6.339 2.825) 7.134 2.497 ( 5.406 1.723 -4.115) 7.008 2.688 ( -0.163 -2.487 -3.350) 4.175 2.805 ( 2.403 1.270 -0.286) 2.733 2.905 ( -0.380 1.712 4.449) 4.782 2.961 ( -0.663 0.805 -5.751) 5.845 3.039 ( -6.694 2.289 -3.401) 7.850 3.219 ( 1.438 0.213 5.347) 5.541 3.246 ( 3.005 -0.669 -0.893) 3.205 3.422 ( 4.154 -2.150 -2.882) 5.494 3.536 ( 0.365 3.885 10.826) 11.508 3.814 ( 2.421 -2.632 5.776) 6.794 3.924 ( -4.644 -4.301 6.682) 9.204 4.127 ( 13.068 15.035 2.496) 20.076 4.288 ( 1.260 2.908 -0.223) 3.177 4.457 ( 2.921 -1.537 4.035) 5.213 4.593 ( 0.132 -3.593 2.494) 4.376 4.781 ( -0.716 6.148 1.545) 6.380 4.924 ( -2.137 0.896 4.205) 4.801 5.204 ( -3.652 2.143 2.609) 4.974 5.451 ( -15.129 -2.159 12.738) 19.895 5.783 ( -0.294 -1.467 17.912) 17.974 5.859 ( 10.888 -8.092 0.923) 13.597 5.878 ( -2.727 -5.130 18.947) 19.818 6.270 ( -6.287 -9.219 8.692) 14.144 6.367 ( -5.243 -13.352 3.626) 14.796 6.475 ( -6.268 -19.304 20.825) 29.079 7.325 ( -0.738 6.486 -2.856) 7.125 7.460 ( -7.233 11.889 -15.453) 20.796 8.316 ( 21.785 11.146 -14.777) 28.587 8.708 ( -0.393 6.510 -7.653) 10.054 9.222 ( 5.209 2.658 -7.447) 9.469 9.391 ( -1.256 3.963 -15.485) 16.033 9.562 ( 4.812 4.093 -16.266) 17.450 9.652 ( -0.764 1.122 -17.527) 17.579 10.278 ( -4.643 -1.763 13.252) 14.152 10.342 ( -6.029 -4.262 11.128) 13.355 10.689 ( 8.980 3.960 2.970) 10.254 10.838 ( 5.866 -2.568 3.074) 7.103 11.177 ( -1.681 -11.624 2.956) 12.111 11.594 ( -17.761 -17.952 1.182) 25.281 12.416 ( 9.042 13.240 -12.583) 20.381 12.644 ( -2.863 6.804 -10.415) 12.766 18.727 ( 0.627 -1.304 -26.593) 26.632 18.763 ( -0.749 -1.047 -23.097) 23.133 18.931 ( 6.612 2.918 25.506) 26.510 19.264 ( -11.203 -5.061 31.003) 33.351 20.806 ( 2.809 -1.688 9.622) 10.165 20.978 ( -5.667 -4.740 7.450) 10.492 21.454 ( 0.958 1.175 -12.693) 12.783 21.491 ( -0.893 0.318 -8.671) 8.723 ======================= Grid point 184 (42/75) ======================= q-point: (-0.50 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -0.291 1.404 4.674) 4.889 1.864 ( 0.291 1.404 4.674) 4.889 2.342 ( -6.582 7.456 6.727) 12.007 2.342 ( 6.582 7.456 6.727) 12.007 2.618 ( -6.792 0.088 -2.756) 7.331 2.618 ( 6.792 0.088 -2.756) 7.331 2.863 ( -3.870 -0.172 0.581) 3.917 2.863 ( 3.870 -0.172 0.581) 3.917 2.965 ( -1.114 1.018 -3.970) 4.248 2.965 ( 1.114 1.018 -3.970) 4.248 3.251 ( -1.682 -0.107 0.532) 1.767 3.251 ( 1.682 -0.107 0.532) 1.767 3.505 ( -3.451 1.751 4.213) 5.721 3.505 ( 3.451 1.751 4.213) 5.721 3.851 ( -2.875 -5.667 7.956) 10.182 3.851 ( 2.875 -5.667 7.956) 10.182 4.303 ( -3.363 3.907 0.221) 5.160 4.303 ( 3.363 3.907 0.221) 5.160 4.519 ( -11.431 8.758 1.459) 14.474 4.519 ( 11.431 8.758 1.459) 14.474 4.859 ( -9.041 -1.815 9.826) 13.476 4.859 ( 9.041 -1.815 9.826) 13.476 5.209 ( -7.209 2.171 6.364) 9.858 5.209 ( 7.209 2.171 6.364) 9.858 5.810 ( -3.222 -4.363 18.680) 19.452 5.810 ( 3.222 -4.363 18.680) 19.452 6.086 ( -11.814 -9.824 0.149) 15.366 6.086 ( 11.814 -9.824 0.149) 15.366 6.381 ( -4.089 -19.391 20.154) 28.265 6.381 ( 4.089 -19.391 20.154) 28.265 7.351 ( -3.730 13.614 -13.104) 19.260 7.351 ( 3.730 13.614 -13.104) 19.260 8.621 ( -9.981 9.019 -10.486) 17.057 8.621 ( 9.981 9.019 -10.486) 17.057 9.319 ( -5.145 0.828 -12.345) 13.400 9.319 ( 5.145 0.828 -12.345) 13.400 9.627 ( -2.379 2.442 -16.680) 17.025 9.627 ( 2.379 2.442 -16.680) 17.025 10.253 ( -2.237 -0.442 12.560) 12.765 10.253 ( 2.237 -0.442 12.560) 12.765 10.841 ( -5.853 -0.614 3.292) 6.744 10.841 ( 5.853 -0.614 3.292) 6.744 11.289 ( -13.203 -16.845 1.491) 21.455 11.289 ( 13.203 -16.845 1.491) 21.455 12.559 ( -6.133 11.293 -12.772) 18.118 12.559 ( 6.133 11.293 -12.772) 18.118 18.745 ( -1.089 -1.645 -25.829) 25.904 18.745 ( 1.089 -1.645 -25.829) 25.904 19.076 ( -8.825 -0.045 29.386) 30.682 19.076 ( 8.825 -0.045 29.386) 30.682 20.878 ( -4.760 -3.460 8.811) 10.596 20.878 ( 4.760 -3.460 8.811) 10.596 21.472 ( -1.001 0.843 -10.904) 10.982 21.472 ( 1.001 0.843 -10.904) 10.982 ======================= Grid point 192 (43/75) ======================= q-point: ( 0.38 0.38 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 2.891 2.891 1.781) 4.460 1.871 ( 1.772 1.772 5.534) 6.075 2.347 ( 8.770 8.770 9.286) 15.493 2.523 ( 2.882 2.882 3.685) 5.494 2.549 ( 3.462 3.462 -4.406) 6.586 2.652 ( -0.772 -0.772 -3.293) 3.469 2.833 ( 1.291 1.291 1.380) 2.288 2.932 ( -0.619 -0.619 8.140) 8.187 2.957 ( -0.490 -0.490 -6.828) 6.863 2.999 ( -4.142 -4.142 -6.777) 8.957 3.246 ( 2.345 2.345 5.477) 6.403 3.266 ( 1.653 1.653 -4.383) 4.968 3.421 ( 2.740 2.740 -4.413) 5.873 3.592 ( 1.351 1.351 16.436) 16.546 3.751 ( -3.746 -3.746 10.250) 11.538 3.783 ( -8.721 -8.721 5.024) 13.317 4.345 ( 1.590 1.590 -1.336) 2.615 4.391 ( -3.252 -3.252 4.145) 6.192 4.472 ( 18.807 18.807 0.511) 26.603 4.593 ( 4.975 4.975 16.122) 17.590 4.882 ( -4.624 -4.624 12.668) 14.256 4.911 ( 4.893 4.893 -1.181) 7.020 5.233 ( 0.445 0.445 1.891) 1.993 5.353 ( -9.689 -9.689 9.843) 16.871 5.750 ( -0.051 -0.051 10.900) 10.900 5.755 ( -1.893 -1.893 19.328) 19.512 5.835 ( -0.881 -0.881 11.110) 11.180 6.069 ( -12.088 -12.088 11.605) 20.662 6.121 ( -7.079 -7.079 21.307) 23.542 6.221 ( -9.965 -9.965 13.490) 19.508 7.454 ( 7.144 7.144 -12.935) 16.413 7.606 ( 2.527 2.527 -24.091) 24.354 8.549 ( 12.932 12.932 -11.559) 21.635 8.786 ( 1.576 1.576 -10.779) 11.007 9.271 ( 2.748 2.748 -8.468) 9.317 9.425 ( -1.604 -1.604 -12.060) 12.271 9.586 ( 0.851 0.851 -14.963) 15.011 9.679 ( -0.214 -0.214 -17.150) 17.153 10.273 ( 0.981 0.981 11.672) 11.754 10.297 ( -0.070 -0.070 9.486) 9.487 10.787 ( 4.865 4.865 5.296) 8.682 10.800 ( 0.551 0.551 1.655) 1.829 10.996 ( -7.396 -7.396 3.731) 11.105 11.266 ( -16.391 -16.391 2.028) 23.269 12.618 ( 8.127 8.127 -16.946) 20.476 12.728 ( 2.085 2.085 -15.124) 15.408 18.711 ( -0.342 -0.342 -26.719) 26.723 18.739 ( -1.433 -1.433 -25.855) 25.934 18.996 ( 3.954 3.954 29.768) 30.289 19.168 ( -5.044 -5.044 32.465) 33.240 20.794 ( 0.487 0.487 9.843) 9.867 20.891 ( -4.276 -4.276 8.826) 10.699 21.471 ( 0.704 0.704 -12.559) 12.599 21.490 ( -0.288 -0.288 -10.389) 10.397 ======================= Grid point 193 (44/75) ======================= q-point: (-0.50 0.38 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -0.127 0.944 1.959) 2.178 1.887 ( 0.127 0.944 1.959) 2.178 2.495 ( -5.293 8.013 6.035) 11.342 2.495 ( 5.293 8.013 6.035) 11.342 2.627 ( -3.726 0.586 -2.542) 4.548 2.627 ( 3.726 0.586 -2.542) 4.548 2.862 ( -3.282 -0.507 2.201) 3.985 2.862 ( 3.282 -0.507 2.201) 3.985 2.964 ( -0.774 -0.610 -3.885) 4.008 2.964 ( 0.774 -0.610 -3.885) 4.008 3.280 ( -0.538 3.572 -2.457) 4.369 3.280 ( 0.538 3.572 -2.457) 4.369 3.529 ( -7.526 -0.206 5.814) 9.513 3.529 ( 7.526 -0.206 5.814) 9.513 3.699 ( -0.921 -8.763 10.902) 14.017 3.699 ( 0.921 -8.763 10.902) 14.017 4.353 ( -0.467 2.017 2.047) 2.911 4.353 ( 0.467 2.017 2.047) 2.911 4.710 ( -6.653 6.074 12.235) 15.194 4.710 ( 6.653 6.074 12.235) 15.194 4.860 ( -11.637 5.846 7.202) 14.882 4.860 ( 11.637 5.846 7.202) 14.882 5.225 ( -1.213 -1.707 3.035) 3.687 5.225 ( 1.213 -1.707 3.035) 3.687 5.742 ( -1.202 -3.588 17.864) 18.260 5.742 ( 1.202 -3.588 17.864) 18.260 5.899 ( -7.128 -7.629 6.333) 12.212 5.899 ( 7.128 -7.629 6.333) 12.212 6.087 ( -3.186 -11.210 22.473) 25.315 6.087 ( 3.186 -11.210 22.473) 25.315 7.574 ( -4.907 9.071 -22.165) 24.447 7.574 ( 4.907 9.071 -22.165) 24.447 8.745 ( -6.545 4.217 -11.261) 13.691 8.745 ( 6.545 4.217 -11.261) 13.691 9.343 ( -5.140 1.541 -9.176) 10.630 9.343 ( 5.140 1.541 -9.176) 10.630 9.634 ( -3.525 -1.580 -14.774) 15.271 9.634 ( 3.525 -1.580 -14.774) 15.271 10.298 ( -0.955 4.944 8.675) 10.031 10.298 ( 0.955 4.944 8.675) 10.031 10.828 ( -3.532 -0.879 3.256) 4.884 10.828 ( 3.532 -0.879 3.256) 4.884 11.004 ( -10.268 -12.646 3.378) 16.636 11.004 ( 10.268 -12.646 3.378) 16.636 12.721 ( -2.902 5.834 -17.638) 18.803 12.721 ( 2.902 5.834 -17.638) 18.803 18.716 ( -0.829 -1.229 -26.574) 26.615 18.716 ( 0.829 -1.229 -26.574) 26.615 19.077 ( -4.583 0.112 31.939) 32.266 19.077 ( 4.583 0.112 31.939) 32.266 20.824 ( -2.712 -2.084 9.608) 10.199 20.824 ( 2.712 -2.084 9.608) 10.199 21.482 ( -0.516 0.279 -11.745) 11.760 21.482 ( 0.516 0.279 -11.745) 11.760 ======================= Grid point 206 (45/75) ======================= q-point: (-0.50 -0.50 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.000 0.000 0.719) 0.719 1.897 ( 0.000 0.000 0.719) 0.719 2.586 ( -0.000 -0.000 5.557) 5.557 2.586 ( 0.000 0.000 5.557) 5.557 2.639 ( -0.000 -0.000 -2.873) 2.873 2.639 ( 0.000 0.000 -2.873) 2.873 2.841 ( -0.000 -0.000 0.205) 0.205 2.841 ( 0.000 0.000 0.205) 0.205 2.961 ( -0.000 -0.000 -1.001) 1.001 2.961 ( 0.000 0.000 -1.001) 1.001 3.355 ( -0.000 -0.000 -2.066) 2.066 3.355 ( 0.000 0.000 -2.066) 2.066 3.479 ( 0.000 0.000 -0.652) 0.652 3.479 ( 0.000 0.000 -0.652) 0.652 3.615 ( 0.000 0.000 18.364) 18.364 3.615 ( 0.000 0.000 18.364) 18.364 4.376 ( -0.000 -0.000 -0.306) 0.306 4.376 ( 0.000 0.000 -0.306) 0.306 4.729 ( -0.000 -0.000 29.333) 29.333 4.729 ( 0.000 0.000 29.333) 29.333 5.029 ( -0.000 -0.000 -2.671) 2.671 5.029 ( 0.000 0.000 -2.671) 2.671 5.137 ( 0.000 0.000 0.226) 0.226 5.137 ( 0.000 0.000 0.226) 0.226 5.704 ( 0.000 0.000 17.058) 17.058 5.704 ( 0.000 0.000 17.058) 17.058 5.831 ( 0.000 0.000 3.868) 3.868 5.831 ( 0.000 0.000 3.868) 3.868 5.977 ( 0.000 0.000 28.822) 28.822 5.977 ( 0.000 0.000 28.822) 28.822 7.664 ( 0.000 0.000 -26.347) 26.347 7.664 ( 0.000 0.000 -26.347) 26.347 8.784 ( 0.000 0.000 -10.968) 10.968 8.784 ( 0.000 0.000 -10.968) 10.968 9.362 ( 0.000 0.000 -6.818) 6.818 9.362 ( 0.000 0.000 -6.818) 6.818 9.608 ( 0.000 0.000 -13.694) 13.694 9.608 ( 0.000 0.000 -13.694) 13.694 10.370 ( -0.000 -0.000 5.409) 5.409 10.370 ( 0.000 0.000 5.409) 5.409 10.805 ( -0.000 -0.000 2.591) 2.591 10.805 ( 0.000 0.000 2.591) 2.591 10.878 ( 0.000 0.000 5.223) 5.223 10.878 ( 0.000 0.000 5.223) 5.223 12.776 ( 0.000 0.000 -19.391) 19.391 12.776 ( 0.000 0.000 -19.391) 19.391 18.704 ( 0.000 0.000 -26.612) 26.612 18.704 ( 0.000 0.000 -26.612) 26.612 19.079 ( 0.000 0.000 32.714) 32.714 19.079 ( 0.000 0.000 32.714) 32.714 20.804 ( 0.000 0.000 9.861) 9.861 20.804 ( 0.000 0.000 9.861) 9.861 21.485 ( 0.000 0.000 -12.033) 12.033 21.485 ( 0.000 0.000 -12.033) 12.033 ======================= Grid point 243 (46/75) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 0.000 21.414) 21.414 1.571 ( 0.000 0.000 21.414) 21.414 2.136 ( 0.000 0.000 -5.615) 5.615 2.319 ( -0.000 0.000 -8.933) 8.933 2.319 ( 0.000 -0.000 -8.933) 8.933 2.406 ( 0.000 0.000 0.097) 0.097 2.605 ( 0.000 -0.000 -7.125) 7.125 2.605 ( 0.000 0.000 -7.125) 7.125 2.822 ( 0.000 0.000 15.839) 15.839 3.051 ( 0.000 0.000 -0.750) 0.750 3.051 ( 0.000 0.000 -0.750) 0.750 3.129 ( 0.000 0.000 -13.270) 13.270 3.506 ( -0.000 -0.000 3.054) 3.054 3.512 ( 0.000 0.000 -2.785) 2.785 3.512 ( 0.000 -0.000 -2.785) 2.785 3.775 ( 0.000 0.000 22.820) 22.820 4.384 ( 0.000 0.000 3.664) 3.664 4.420 ( 0.000 0.000 9.862) 9.862 4.420 ( 0.000 0.000 9.862) 9.862 4.646 ( 0.000 0.000 -3.941) 3.941 4.789 ( 0.000 0.000 -8.365) 8.365 4.789 ( 0.000 0.000 -8.365) 8.365 5.417 ( 0.000 0.000 -11.382) 11.382 5.444 ( 0.000 0.000 3.782) 3.782 5.513 ( 0.000 0.000 -8.863) 8.863 5.513 ( 0.000 0.000 -8.863) 8.863 5.943 ( 0.000 0.000 -9.418) 9.418 6.611 ( 0.000 0.000 20.204) 20.204 6.611 ( 0.000 0.000 20.204) 20.204 6.848 ( -0.000 -0.000 -0.739) 0.739 7.988 ( -0.000 -0.000 4.229) 4.229 8.274 ( 0.000 0.000 -5.389) 5.389 8.348 ( 0.000 0.000 2.566) 2.566 8.348 ( -0.000 -0.000 2.566) 2.566 8.563 ( 0.000 0.000 2.905) 2.905 8.617 ( -0.000 -0.000 -9.562) 9.562 8.617 ( 0.000 0.000 -9.562) 9.562 9.558 ( 0.000 0.000 -11.115) 11.115 9.963 ( 0.000 0.000 2.512) 2.512 9.963 ( 0.000 0.000 2.512) 2.512 10.878 ( 0.000 0.000 6.900) 6.900 11.116 ( 0.000 0.000 4.944) 4.944 11.834 ( 0.000 0.000 -1.712) 1.712 11.868 ( 0.000 0.000 6.871) 6.871 12.720 ( 0.000 0.000 2.497) 2.497 12.720 ( 0.000 0.000 2.497) 2.497 18.267 ( 0.000 0.000 -15.854) 15.854 18.267 ( 0.000 0.000 -15.854) 15.854 19.172 ( -0.000 -0.000 25.608) 25.608 20.929 ( 0.000 0.000 4.598) 4.598 20.929 ( 0.000 0.000 4.598) 4.598 20.991 ( 0.000 0.000 -18.960) 18.960 21.097 ( -0.000 -0.000 -0.135) 0.135 21.446 ( -0.000 -0.000 -0.672) 0.672 ======================= Grid point 244 (47/75) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 5.792 0.000 19.790) 20.620 1.675 ( 10.043 0.000 18.777) 21.294 2.138 ( 0.521 0.000 -3.879) 3.914 2.281 ( -0.994 0.000 -3.900) 4.024 2.372 ( 5.328 0.000 -9.082) 10.530 2.481 ( 3.176 0.000 0.391) 3.200 2.621 ( 1.606 0.000 -6.706) 6.895 2.639 ( 2.555 0.000 -7.989) 8.387 2.838 ( 4.359 0.000 10.417) 11.292 2.921 ( -5.441 0.000 -6.080) 8.159 3.060 ( 1.230 0.000 -0.273) 1.260 3.311 ( 8.589 0.000 -4.550) 9.720 3.492 ( -1.212 0.000 2.675) 2.937 3.519 ( 1.057 0.000 -0.660) 1.246 3.635 ( 14.529 0.000 -3.101) 14.857 3.690 ( -7.528 0.000 19.873) 21.251 4.272 ( -8.357 0.000 5.607) 10.064 4.285 ( -12.371 0.000 -2.826) 12.690 4.485 ( -1.543 0.000 6.825) 6.997 4.502 ( 5.161 0.000 5.855) 7.805 4.778 ( -1.140 0.000 -7.087) 7.178 5.194 ( 21.209 0.000 -4.543) 21.690 5.300 ( -9.966 0.000 -0.711) 9.991 5.342 ( -3.388 0.000 -8.092) 8.773 5.643 ( 8.701 0.000 -3.933) 9.549 5.801 ( 21.829 0.000 -10.342) 24.155 6.000 ( 9.265 0.000 -11.030) 14.405 6.586 ( -2.402 0.000 20.345) 20.487 6.589 ( -2.140 0.000 19.178) 19.297 6.804 ( -4.621 0.000 -0.797) 4.689 7.809 ( -16.686 0.000 5.206) 17.479 7.936 ( -17.120 0.000 -0.067) 17.120 8.293 ( -7.035 0.000 10.349) 12.514 8.466 ( -3.164 0.000 -3.853) 4.986 8.618 ( 6.316 0.000 -16.630) 17.789 8.730 ( 15.656 0.000 2.213) 15.811 8.735 ( 6.511 0.000 -10.134) 12.046 9.527 ( -3.042 0.000 -10.746) 11.168 10.048 ( 8.770 0.000 1.708) 8.935 10.128 ( 16.066 0.000 2.054) 16.196 10.841 ( -3.869 0.000 7.131) 8.113 11.114 ( -0.706 0.000 6.449) 6.488 11.710 ( -12.178 0.000 -3.359) 12.632 11.900 ( 3.286 0.000 7.067) 7.794 12.635 ( -8.944 0.000 1.476) 9.065 12.675 ( -4.756 0.000 2.600) 5.420 18.268 ( 0.191 0.000 -16.124) 16.125 18.274 ( 0.729 0.000 -16.011) 16.028 19.205 ( 3.432 0.000 25.624) 25.853 20.673 ( -19.110 0.000 9.802) 21.477 20.923 ( -0.271 0.000 1.942) 1.961 21.014 ( 2.165 0.000 -16.006) 16.152 21.209 ( 4.496 0.000 -0.632) 4.540 21.423 ( -2.253 0.000 -2.783) 3.581 ======================= Grid point 245 (48/75) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 8.658 0.000 15.344) 17.618 1.892 ( 11.487 0.000 14.325) 18.361 2.164 ( 2.330 0.000 -0.271) 2.345 2.278 ( -0.285 0.000 0.501) 0.576 2.502 ( 7.937 0.000 -8.304) 11.487 2.540 ( 4.400 0.000 2.343) 4.985 2.625 ( -2.010 0.000 -6.959) 7.243 2.651 ( 0.892 0.000 -5.461) 5.533 2.871 ( 0.104 0.000 -4.248) 4.250 2.973 ( 3.783 0.000 4.059) 5.548 3.162 ( 11.916 0.000 -1.116) 11.968 3.408 ( 2.349 0.000 -2.793) 3.650 3.476 ( 0.443 0.000 3.237) 3.267 3.537 ( -6.134 0.000 -0.104) 6.135 3.582 ( 5.003 0.000 12.832) 13.773 4.006 ( 16.034 0.000 0.869) 16.058 4.080 ( -9.380 0.000 -1.135) 9.448 4.089 ( -4.953 0.000 1.267) 5.112 4.483 ( 0.666 0.000 8.822) 8.847 4.611 ( 6.508 0.000 3.634) 7.454 4.754 ( -1.185 0.000 -2.659) 2.911 5.086 ( -12.664 0.000 -1.093) 12.711 5.251 ( -5.376 0.000 -7.092) 8.899 5.545 ( 15.797 0.000 -4.140) 16.330 5.828 ( 11.092 0.000 -2.997) 11.490 5.924 ( -3.794 0.000 -1.976) 4.277 6.443 ( 17.835 0.000 -11.588) 21.269 6.546 ( -1.986 0.000 16.379) 16.499 6.562 ( 6.684 0.000 21.395) 22.415 6.679 ( -8.394 0.000 -1.546) 8.535 7.569 ( -6.674 0.000 -1.712) 6.890 7.624 ( -12.554 0.000 2.202) 12.745 8.093 ( -13.271 0.000 17.004) 21.570 8.447 ( -0.472 0.000 -3.439) 3.471 8.723 ( 6.291 0.000 -15.684) 16.899 8.835 ( 4.285 0.000 -16.153) 16.712 9.016 ( 12.982 0.000 -0.857) 13.010 9.451 ( -4.856 0.000 -10.763) 11.808 10.275 ( 14.623 0.000 0.841) 14.647 10.494 ( 20.658 0.000 2.176) 20.772 10.745 ( -5.744 0.000 7.689) 9.597 11.048 ( -7.606 0.000 9.634) 12.274 11.457 ( -11.610 0.000 -8.738) 14.530 11.983 ( 5.259 0.000 7.218) 8.930 12.394 ( -16.180 0.000 -1.092) 16.216 12.551 ( -8.020 0.000 3.266) 8.660 18.274 ( 0.421 0.000 -16.749) 16.755 18.289 ( 0.703 0.000 -16.454) 16.469 19.299 ( 6.547 0.000 25.608) 26.432 20.297 ( -19.949 0.000 17.228) 26.358 20.929 ( 1.122 0.000 0.447) 1.207 21.065 ( 3.207 0.000 -13.684) 14.055 21.220 ( -2.742 0.000 0.287) 2.757 21.373 ( -3.024 0.000 -6.599) 7.259 ======================= Grid point 246 (49/75) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 7.340 0.000 11.029) 13.248 2.049 ( 3.704 0.000 13.658) 14.152 2.225 ( 3.927 0.000 2.571) 4.693 2.278 ( 1.181 0.000 -0.702) 1.374 2.536 ( -2.491 0.000 -3.818) 4.558 2.604 ( -1.602 0.000 -6.869) 7.054 2.677 ( 5.913 0.000 -4.460) 7.406 2.719 ( 8.394 0.000 -2.109) 8.655 2.918 ( 4.035 0.000 -0.188) 4.039 2.985 ( -0.675 0.000 5.396) 5.438 3.344 ( 4.473 0.000 -1.138) 4.616 3.416 ( -0.336 0.000 -3.896) 3.911 3.433 ( -3.217 0.000 0.804) 3.316 3.507 ( 0.316 0.000 7.618) 7.625 3.810 ( 14.721 0.000 3.714) 15.182 3.833 ( -10.148 0.000 -3.740) 10.815 3.939 ( -2.128 0.000 0.024) 2.128 4.407 ( 12.674 0.000 3.013) 13.027 4.504 ( 1.334 0.000 8.345) 8.451 4.640 ( -11.657 0.000 -0.036) 11.657 4.799 ( 10.063 0.000 6.118) 11.777 4.929 ( 3.589 0.000 -0.969) 3.717 5.125 ( -7.822 0.000 -3.568) 8.598 5.658 ( -15.339 0.000 5.677) 16.356 5.882 ( 11.696 0.000 -6.162) 13.220 6.046 ( 10.819 0.000 -1.996) 11.002 6.437 ( -4.752 0.000 9.634) 10.742 6.466 ( -9.465 0.000 4.988) 10.699 6.574 ( 1.634 0.000 3.289) 3.673 6.805 ( 3.678 0.000 2.341) 4.360 7.368 ( -3.918 0.000 8.438) 9.303 7.797 ( 20.208 0.000 -8.503) 21.924 7.812 ( -16.201 0.000 19.664) 25.478 8.392 ( -6.736 0.000 -2.699) 7.257 8.852 ( 6.927 0.000 -15.943) 17.382 8.912 ( 3.997 0.000 -19.028) 19.443 9.200 ( 6.315 0.000 -4.298) 7.639 9.352 ( -5.318 0.000 -11.052) 12.265 10.536 ( 8.041 0.000 6.052) 10.064 10.682 ( 4.144 0.000 3.606) 5.493 10.713 ( -5.572 0.000 12.450) 13.640 10.953 ( 4.625 0.000 1.732) 4.938 11.352 ( 2.490 0.000 -12.923) 13.160 12.003 ( -15.940 0.000 -4.860) 16.664 12.129 ( 1.253 0.000 7.041) 7.152 12.391 ( -8.549 0.000 4.970) 9.889 18.284 ( 0.573 0.000 -17.300) 17.309 18.297 ( 0.112 0.000 -17.025) 17.025 19.451 ( 9.603 0.000 25.363) 27.120 19.946 ( -16.968 0.000 22.139) 27.894 20.969 ( 3.102 0.000 -0.176) 3.107 21.134 ( 4.065 0.000 -11.844) 12.522 21.139 ( -5.143 0.000 -0.366) 5.156 21.304 ( -4.334 0.000 -8.239) 9.309 ======================= Grid point 247 (50/75) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -3.953 0.000 11.121) 11.802 2.034 ( 3.953 0.000 11.121) 11.802 2.288 ( -1.748 0.000 2.522) 3.069 2.288 ( 1.748 0.000 2.522) 3.069 2.537 ( -3.100 0.000 -7.980) 8.561 2.537 ( 3.100 0.000 -7.980) 8.561 2.780 ( -2.774 0.000 -1.165) 3.008 2.780 ( 2.774 0.000 -1.165) 3.008 2.977 ( -1.176 0.000 3.558) 3.747 2.977 ( 1.176 0.000 3.558) 3.747 3.411 ( -1.458 0.000 -2.726) 3.091 3.411 ( 1.458 0.000 -2.726) 3.091 3.423 ( -4.999 0.000 3.392) 6.041 3.423 ( 4.999 0.000 3.392) 6.041 3.786 ( -3.928 0.000 -1.669) 4.268 3.786 ( 3.928 0.000 -1.669) 4.268 4.266 ( -22.105 0.000 0.872) 22.122 4.266 ( 22.105 0.000 0.872) 22.122 4.521 ( -0.010 0.000 5.202) 5.202 4.521 ( 0.010 0.000 5.202) 5.202 4.967 ( -8.563 0.000 1.507) 8.695 4.967 ( 8.563 0.000 1.507) 8.695 5.256 ( -23.519 0.000 6.126) 24.303 5.256 ( 23.519 0.000 6.126) 24.303 6.110 ( -7.960 0.000 -5.353) 9.593 6.110 ( 7.960 0.000 -5.353) 9.593 6.353 ( -1.883 0.000 8.997) 9.192 6.353 ( 1.883 0.000 8.997) 9.192 6.694 ( -9.826 0.000 -2.889) 10.241 6.694 ( 9.826 0.000 -2.889) 10.241 7.508 ( -14.771 0.000 19.613) 24.553 7.508 ( 14.771 0.000 19.613) 24.553 8.170 ( -16.788 0.000 -6.670) 18.064 8.170 ( 16.788 0.000 -6.670) 18.064 8.947 ( -1.768 0.000 -17.308) 17.398 8.947 ( 1.768 0.000 -17.308) 17.398 9.272 ( -2.910 0.000 -9.116) 9.569 9.272 ( 2.910 0.000 -9.116) 9.569 10.581 ( -3.709 0.000 11.766) 12.337 10.581 ( 3.709 0.000 11.766) 12.337 10.895 ( -11.017 0.000 0.583) 11.032 10.895 ( 11.017 0.000 0.583) 11.032 11.612 ( -20.936 0.000 -10.626) 23.478 11.612 ( 20.936 0.000 -10.626) 23.478 12.241 ( -7.279 0.000 7.113) 10.177 12.241 ( 7.279 0.000 7.113) 10.177 18.294 ( -0.422 0.000 -17.403) 17.408 18.294 ( 0.422 0.000 -17.403) 17.408 19.663 ( -13.096 0.000 24.480) 27.763 19.663 ( 13.096 0.000 24.480) 27.763 21.044 ( -4.734 0.000 -0.593) 4.771 21.044 ( 4.734 0.000 -0.593) 4.771 21.217 ( -4.671 0.000 -9.892) 10.940 21.217 ( 4.671 0.000 -9.892) 10.940 ======================= Grid point 253 (51/75) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 4.629 4.629 19.477) 20.548 1.765 ( 7.812 7.812 15.697) 19.195 2.143 ( 0.841 0.841 -2.117) 2.428 2.296 ( 1.087 1.087 -5.578) 5.786 2.350 ( 0.425 0.425 -1.688) 1.792 2.563 ( 4.029 4.029 -2.187) 6.103 2.626 ( 0.220 0.220 -7.207) 7.214 2.703 ( 6.508 6.508 -7.555) 11.907 2.864 ( -3.620 -3.620 -7.172) 8.812 2.871 ( 5.173 5.173 7.281) 10.321 3.083 ( 2.280 2.280 0.975) 3.369 3.342 ( 1.177 1.177 -2.495) 2.999 3.435 ( -4.693 -4.693 3.797) 7.646 3.616 ( 4.664 4.664 8.744) 10.952 3.676 ( -2.554 -2.554 8.205) 8.965 3.710 ( 13.554 13.554 -4.070) 19.595 4.150 ( -6.207 -6.207 -0.079) 8.779 4.338 ( -2.973 -2.973 2.599) 4.943 4.370 ( -2.521 -2.521 10.409) 11.003 4.584 ( 3.901 3.901 4.977) 7.429 4.788 ( -0.443 -0.443 -8.264) 8.288 5.198 ( -8.200 -8.200 -1.109) 11.650 5.281 ( 2.881 2.881 -6.759) 7.892 5.343 ( 5.468 5.468 -3.653) 8.552 5.648 ( 3.328 3.328 -1.963) 5.099 6.016 ( 3.164 3.164 -8.254) 9.389 6.161 ( 26.614 26.614 -14.897) 40.479 6.537 ( -1.793 -1.793 21.475) 21.624 6.599 ( -0.864 -0.864 18.673) 18.713 6.759 ( -4.745 -4.745 -0.844) 6.764 7.683 ( -13.480 -13.480 2.637) 19.245 7.735 ( -14.381 -14.381 3.660) 20.664 8.226 ( -7.953 -7.953 13.580) 17.633 8.455 ( 0.089 0.089 -7.255) 7.256 8.678 ( 4.597 4.597 -16.094) 17.358 8.806 ( 5.544 5.544 -11.655) 14.046 8.858 ( 11.778 11.778 0.696) 16.672 9.499 ( -2.876 -2.876 -10.586) 11.341 10.168 ( 9.391 9.391 0.028) 13.281 10.207 ( 10.629 10.629 3.082) 15.344 10.805 ( -3.678 -3.678 7.393) 9.040 11.103 ( -1.742 -1.742 7.937) 8.311 11.592 ( -10.830 -10.830 -3.595) 15.733 11.943 ( 3.937 3.937 5.423) 7.772 12.512 ( -10.804 -10.804 2.061) 15.418 12.670 ( -2.540 -2.540 0.989) 3.726 18.266 ( -0.060 -0.060 -15.838) 15.839 18.282 ( 0.595 0.595 -16.568) 16.590 19.237 ( 3.413 3.413 25.696) 26.146 20.533 ( -13.317 -13.317 13.184) 22.989 20.922 ( -0.270 -0.270 4.320) 4.337 21.018 ( 1.273 1.273 -18.122) 18.211 21.232 ( 0.710 0.710 -0.145) 1.015 21.406 ( -1.610 -1.610 -4.649) 5.176 ======================= Grid point 254 (52/75) ======================= q-point: ( 0.25 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 8.277 2.540 15.591) 17.834 1.929 ( 8.752 3.525 12.495) 15.657 2.180 ( 3.165 1.925 1.321) 3.933 2.307 ( -0.114 2.987 -0.484) 3.028 2.398 ( 4.403 -3.328 -2.626) 6.113 2.611 ( -1.544 -0.808 -6.638) 6.863 2.638 ( 3.985 2.563 -3.727) 6.028 2.798 ( 4.251 13.293 -4.211) 14.578 2.827 ( -0.041 -3.092 -6.343) 7.057 2.988 ( 2.527 1.195 4.549) 5.339 3.203 ( 9.401 3.530 0.205) 10.044 3.342 ( -2.230 -4.986 -1.242) 5.602 3.398 ( 5.119 -3.434 -1.219) 6.284 3.563 ( -5.896 -2.349 8.964) 10.983 3.704 ( 4.577 9.762 3.900) 11.466 4.024 ( -1.400 5.332 3.721) 6.651 4.111 ( 17.768 6.894 1.396) 19.109 4.196 ( -8.146 5.508 3.912) 10.583 4.401 ( 2.731 -7.013 8.537) 11.381 4.661 ( 4.581 3.649 2.925) 6.546 4.751 ( -2.939 -1.349 -5.297) 6.206 5.033 ( -8.993 -3.972 -0.537) 9.846 5.237 ( -4.253 -1.250 -6.764) 8.087 5.565 ( 13.491 2.317 -2.129) 13.853 5.755 ( 7.502 -2.224 -0.477) 7.839 6.023 ( -3.391 5.917 -3.394) 7.618 6.403 ( -1.592 -5.496 6.978) 9.024 6.565 ( -2.474 -0.676 15.856) 16.063 6.629 ( -8.075 -4.797 -1.300) 9.482 6.769 ( 20.131 21.338 5.376) 29.824 7.423 ( -14.642 -14.782 -1.170) 20.838 7.534 ( 1.151 -5.904 -0.500) 6.036 8.025 ( -12.826 -6.989 17.757) 22.993 8.470 ( 1.023 1.789 -6.327) 6.654 8.780 ( 6.130 4.899 -15.276) 17.174 8.890 ( 3.055 5.475 -16.154) 17.328 9.083 ( 10.653 6.293 -2.026) 12.537 9.427 ( -4.409 -2.387 -10.734) 11.847 10.354 ( 11.560 7.836 0.590) 13.978 10.511 ( 18.114 2.099 2.730) 18.438 10.714 ( -5.381 -3.139 7.991) 10.132 11.009 ( -8.868 -4.509 9.782) 13.952 11.383 ( -9.098 -6.533 -6.965) 13.189 12.033 ( 5.220 4.684 4.010) 8.079 12.250 ( -16.405 -12.776 0.976) 20.816 12.579 ( -6.699 0.741 -0.051) 6.740 18.268 ( 0.285 -0.463 -16.104) 16.113 18.292 ( 0.354 0.140 -16.987) 16.991 19.331 ( 6.424 3.273 25.822) 26.810 20.238 ( -16.717 -6.022 19.155) 26.128 20.924 ( 0.814 -0.520 2.583) 2.757 21.060 ( 2.862 -0.143 -15.447) 15.711 21.206 ( -3.216 -1.616 -0.062) 3.600 21.365 ( -2.901 -1.006 -7.364) 7.979 ======================= Grid point 255 (53/75) ======================= q-point: ( 0.38 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 6.695 1.051 11.069) 12.979 2.051 ( 2.857 0.203 12.720) 13.039 2.255 ( 4.194 3.234 3.028) 6.101 2.320 ( 2.192 4.205 -1.190) 4.890 2.471 ( 1.986 -3.358 -1.514) 4.184 2.596 ( -0.266 -0.533 -6.918) 6.943 2.688 ( 2.655 2.364 -6.036) 7.005 2.863 ( 1.079 8.492 -1.113) 8.633 2.874 ( 4.431 -2.610 -2.589) 5.758 2.989 ( -0.911 0.072 4.776) 4.863 3.276 ( 0.786 -6.755 -0.882) 6.858 3.309 ( -1.338 -5.669 -2.033) 6.170 3.439 ( -0.679 1.291 -2.335) 2.754 3.625 ( 2.794 7.440 8.868) 11.908 3.858 ( 15.695 2.483 3.028) 16.176 3.911 ( -3.729 9.102 -0.936) 9.881 4.053 ( -6.629 11.057 3.840) 13.451 4.404 ( 3.877 -3.386 7.339) 8.965 4.493 ( 6.643 1.916 4.047) 8.011 4.633 ( -9.312 -0.859 -0.706) 9.378 4.823 ( 12.854 2.501 6.647) 14.686 4.929 ( 1.871 0.694 -0.052) 1.996 5.141 ( -5.174 1.636 -4.212) 6.869 5.686 ( -12.350 2.521 7.994) 14.926 5.874 ( 10.418 -0.777 -4.042) 11.202 6.013 ( 7.954 -1.498 -1.983) 8.333 6.343 ( -4.263 -7.034 10.198) 13.102 6.427 ( -10.880 -4.792 1.511) 11.984 6.563 ( 1.734 -2.259 6.326) 6.938 6.922 ( -6.362 7.704 -4.801) 11.085 7.222 ( 1.548 -12.923 15.184) 19.999 7.736 ( -12.180 -5.442 18.180) 22.549 7.864 ( 20.531 5.720 -8.854) 23.079 8.454 ( -4.414 5.044 -4.117) 7.866 8.889 ( 4.669 3.775 -16.547) 17.603 8.936 ( 2.509 2.528 -18.488) 18.828 9.232 ( 4.876 2.979 -5.504) 7.934 9.345 ( -3.924 -0.531 -11.072) 11.759 10.546 ( 3.252 0.589 7.713) 8.392 10.664 ( 1.311 -2.482 6.609) 7.180 10.695 ( -0.580 -0.645 7.891) 7.938 10.934 ( 6.400 -2.068 1.331) 6.857 11.287 ( 0.584 -6.105 -9.181) 11.041 11.886 ( -19.912 -11.998 -2.757) 23.410 12.160 ( 6.270 4.051 3.825) 8.388 12.436 ( -8.020 3.165 0.368) 8.630 18.276 ( 0.546 -0.699 -16.654) 16.677 18.294 ( -0.172 -0.393 -17.155) 17.161 19.477 ( 9.191 2.756 25.771) 27.500 19.934 ( -15.099 -1.285 23.254) 27.755 20.958 ( 2.806 -1.058 1.200) 3.230 21.101 ( -1.366 -2.344 -4.560) 5.306 21.148 ( 0.370 0.076 -8.867) 8.875 21.296 ( -4.271 -0.885 -9.041) 10.038 ======================= Grid point 256 (54/75) ======================= q-point: (-0.50 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -3.554 -0.007 10.987) 11.548 2.035 ( 3.554 -0.007 10.987) 11.548 2.325 ( -2.703 3.708 1.767) 4.917 2.325 ( 2.703 3.708 1.767) 4.917 2.532 ( -5.149 -0.068 -6.449) 8.253 2.532 ( 5.149 -0.068 -6.449) 8.253 2.797 ( -6.721 2.128 -1.208) 7.153 2.797 ( 6.721 2.128 -1.208) 7.153 2.956 ( -3.329 -2.615 1.151) 4.387 2.956 ( 3.329 -2.615 1.151) 4.387 3.289 ( -0.824 -7.038 -2.617) 7.554 3.289 ( 0.824 -7.038 -2.617) 7.554 3.518 ( -8.270 6.819 3.537) 11.287 3.518 ( 8.270 6.819 3.537) 11.287 3.938 ( -4.964 11.645 2.147) 12.840 3.938 ( 4.964 11.645 2.147) 12.840 4.236 ( -19.158 -2.126 0.375) 19.279 4.236 ( 19.158 -2.126 0.375) 19.279 4.537 ( -1.518 1.601 5.253) 5.698 4.537 ( 1.518 1.601 5.253) 5.698 4.976 ( -5.680 1.217 1.753) 6.068 4.976 ( 5.680 1.217 1.753) 6.068 5.302 ( -22.813 4.499 7.647) 24.478 5.302 ( 22.813 4.499 7.647) 24.478 6.087 ( -6.943 -2.013 -4.090) 8.306 6.087 ( 6.943 -2.013 -4.090) 8.306 6.278 ( -2.165 -6.550 8.334) 10.819 6.278 ( 2.165 -6.550 8.334) 10.819 6.691 ( -11.897 -2.234 -4.279) 12.839 6.691 ( 11.897 -2.234 -4.279) 12.839 7.438 ( -15.939 -6.324 20.039) 26.375 7.438 ( 15.939 -6.324 20.039) 26.375 8.258 ( -16.593 8.405 -7.031) 19.885 8.258 ( 16.593 8.405 -7.031) 19.885 8.953 ( -1.771 0.732 -17.726) 17.829 8.953 ( 1.771 0.732 -17.726) 17.829 9.288 ( -2.377 1.648 -9.566) 9.994 9.288 ( 2.377 1.648 -9.566) 9.994 10.561 ( -3.056 -2.029 11.658) 12.221 10.561 ( 3.056 -2.029 11.658) 12.221 10.891 ( -10.373 -0.341 0.588) 10.396 10.891 ( 10.373 -0.341 0.588) 10.396 11.506 ( -19.117 -10.135 -6.759) 22.668 11.506 ( 19.117 -10.135 -6.759) 22.668 12.290 ( -7.366 4.257 2.080) 8.758 12.290 ( 7.366 4.257 2.080) 8.758 18.287 ( -0.541 -0.695 -17.058) 17.080 18.287 ( 0.541 -0.695 -17.058) 17.080 19.678 ( -12.122 1.426 25.155) 27.960 19.678 ( 12.122 1.426 25.155) 27.960 21.027 ( -4.317 -1.679 0.303) 4.642 21.027 ( 4.317 -1.679 0.303) 4.642 21.212 ( -4.389 -0.489 -11.092) 11.939 21.212 ( 4.389 -0.489 -11.092) 11.939 ======================= Grid point 263 (55/75) ======================= q-point: ( 0.25 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 4.981 4.981 13.420) 15.156 2.006 ( 4.058 4.058 11.062) 12.462 2.246 ( 5.141 5.141 4.000) 8.298 2.354 ( 0.757 0.757 -1.284) 1.671 2.403 ( 4.382 4.382 -1.668) 6.418 2.593 ( -1.161 -1.161 -5.468) 5.709 2.693 ( 3.771 3.771 -4.401) 6.915 2.778 ( -1.269 -1.269 -8.414) 8.603 2.997 ( -0.523 -0.523 4.166) 4.231 3.032 ( 9.242 9.242 -3.323) 13.486 3.171 ( -5.358 -5.358 -0.553) 7.598 3.288 ( -2.749 -2.749 -2.972) 4.894 3.461 ( -5.690 -5.690 4.559) 9.249 3.494 ( 14.304 14.304 -0.735) 20.243 3.861 ( 6.021 6.021 8.396) 11.958 4.163 ( 5.235 5.235 9.463) 12.015 4.227 ( -4.960 -4.960 10.723) 12.814 4.289 ( 0.903 0.903 3.813) 4.021 4.358 ( 16.853 16.853 6.030) 24.585 4.675 ( -5.290 -5.290 -5.485) 9.276 4.729 ( 3.598 3.598 0.683) 5.134 4.990 ( -0.790 -0.790 -0.423) 1.195 5.209 ( -1.751 -1.751 -6.283) 6.753 5.648 ( 6.693 6.693 -0.194) 9.468 5.770 ( 3.265 3.265 1.375) 4.817 6.090 ( -0.642 -0.642 1.897) 2.103 6.299 ( -4.832 -4.832 10.657) 12.659 6.494 ( -8.954 -8.954 -1.209) 12.721 6.523 ( -3.436 -3.436 14.228) 15.035 7.001 ( -3.592 -3.592 16.688) 17.444 7.184 ( -10.363 -10.363 -11.230) 18.463 7.591 ( 19.918 19.918 -8.929) 29.550 7.846 ( -11.664 -11.664 18.298) 24.635 8.506 ( 2.075 2.075 -7.727) 8.266 8.879 ( 5.244 5.244 -14.772) 16.529 8.995 ( 4.261 4.261 -17.437) 18.448 9.211 ( 6.168 6.168 -4.721) 9.919 9.373 ( -2.778 -2.778 -10.753) 11.448 10.514 ( 6.706 6.706 1.739) 9.642 10.601 ( 6.948 6.948 4.900) 10.980 10.642 ( -2.112 -2.112 7.449) 8.025 10.874 ( -8.635 -8.635 7.128) 14.140 11.260 ( -6.107 -6.107 -4.238) 9.620 11.956 ( -17.667 -17.667 1.065) 25.008 12.139 ( 5.977 5.977 -0.387) 8.462 12.556 ( -3.044 -3.044 -3.245) 5.390 18.261 ( -0.172 -0.172 -15.677) 15.679 18.291 ( -0.279 -0.279 -17.156) 17.160 19.418 ( 5.918 5.918 26.325) 27.623 20.086 ( -9.530 -9.530 22.972) 26.634 20.917 ( 0.083 0.083 3.783) 3.785 21.068 ( 0.689 0.689 -13.708) 13.742 21.163 ( -2.536 -2.536 -2.945) 4.641 21.330 ( -2.668 -2.668 -8.922) 9.687 ======================= Grid point 264 (56/75) ======================= q-point: ( 0.38 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 4.489 1.109 10.465) 11.441 2.055 ( 0.586 0.105 11.434) 11.450 2.345 ( 3.934 6.064 1.345) 7.352 2.409 ( 6.433 3.856 -2.191) 7.814 2.467 ( 0.233 3.947 0.531) 3.989 2.592 ( 1.661 -0.056 -4.143) 4.464 2.743 ( 0.975 1.930 -4.642) 5.121 2.811 ( 5.295 -0.266 -6.242) 8.190 2.953 ( -4.409 -4.495 -1.241) 6.417 3.025 ( -5.783 5.027 2.562) 8.080 3.180 ( 1.731 0.138 -3.694) 4.082 3.225 ( -3.278 -3.226 -3.298) 5.659 3.450 ( 6.392 -2.008 3.444) 7.533 3.771 ( 7.960 8.777 6.587) 13.557 3.918 ( 1.923 4.043 6.795) 8.138 4.070 ( -3.533 2.303 5.411) 6.860 4.287 ( 0.504 12.919 8.601) 15.529 4.301 ( 1.703 -3.514 2.550) 4.663 4.514 ( 0.241 -2.585 1.585) 3.042 4.684 ( 0.329 8.697 3.688) 9.453 4.878 ( 15.702 2.777 7.920) 17.804 4.991 ( 1.654 6.547 2.129) 7.081 5.178 ( -0.205 1.797 -4.886) 5.211 5.733 ( -7.169 2.349 11.749) 13.963 5.853 ( 7.852 -1.692 1.293) 8.136 6.029 ( 0.793 2.628 0.470) 2.785 6.222 ( -3.472 -5.268 11.284) 12.928 6.300 ( -11.200 -8.328 -0.126) 13.957 6.474 ( -0.351 -6.698 8.385) 10.737 6.857 ( -14.569 -12.888 3.204) 19.714 7.072 ( 6.175 -3.269 -3.233) 7.699 7.592 ( -14.851 -9.810 15.364) 23.512 8.075 ( 25.261 16.375 -6.684) 30.838 8.536 ( 0.077 3.411 -5.735) 6.673 8.958 ( 2.523 2.571 -15.442) 15.857 9.021 ( -1.402 6.151 -18.665) 19.702 9.283 ( 2.021 1.815 -9.062) 9.460 9.350 ( 0.029 1.557 -9.870) 9.992 10.537 ( -3.113 -1.562 10.024) 10.611 10.588 ( -3.520 -4.728 10.430) 11.980 10.729 ( 4.866 3.973 0.788) 6.331 10.881 ( 9.752 -2.956 1.110) 10.251 11.154 ( -3.941 -7.483 -3.807) 9.275 11.607 ( -18.691 -16.513 0.067) 24.940 12.254 ( 6.152 5.316 -3.533) 8.865 12.475 ( -5.216 0.790 -5.090) 7.331 18.262 ( 0.274 -0.649 -15.790) 15.806 18.282 ( -0.591 -0.781 -16.800) 16.829 19.549 ( 7.871 4.643 26.797) 28.313 19.897 ( -10.215 -2.678 25.748) 27.829 20.936 ( 1.963 -1.056 3.027) 3.760 21.053 ( -2.834 -2.767 -1.195) 4.137 21.147 ( 1.534 0.046 -13.664) 13.750 21.268 ( -3.719 -2.010 -11.045) 11.827 ======================= Grid point 265 (57/75) ======================= q-point: (-0.50 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -2.901 -0.655 10.423) 10.839 2.029 ( 2.901 -0.655 10.423) 10.839 2.414 ( -3.615 5.341 -0.952) 6.520 2.414 ( 3.615 5.341 -0.952) 6.520 2.554 ( -6.242 2.624 -3.427) 7.590 2.554 ( 6.242 2.624 -3.427) 7.590 2.829 ( -7.459 -2.410 -1.964) 8.081 2.829 ( 7.459 -2.410 -1.964) 8.081 2.920 ( -5.446 2.924 -0.169) 6.183 2.920 ( 5.446 2.924 -0.169) 6.183 3.188 ( -0.808 -3.458 -4.476) 5.713 3.188 ( 0.808 -3.458 -4.476) 5.713 3.645 ( -12.144 4.861 6.532) 14.621 3.645 ( 12.144 4.861 6.532) 14.621 4.041 ( -3.783 -1.944 8.674) 9.660 4.041 ( 3.783 -1.944 8.674) 9.660 4.284 ( -1.836 7.226 -2.164) 7.763 4.284 ( 1.836 7.226 -2.164) 7.763 4.597 ( -7.004 5.959 5.378) 10.653 4.597 ( 7.004 5.959 5.378) 10.653 5.023 ( -2.517 3.871 2.106) 5.075 5.023 ( 2.517 3.871 2.106) 5.075 5.399 ( -21.384 4.943 13.741) 25.894 5.399 ( 21.384 4.943 13.741) 25.894 6.045 ( -8.924 -3.301 -2.157) 9.757 6.045 ( 8.924 -3.301 -2.157) 9.757 6.159 ( -2.256 -4.451 9.790) 10.989 6.159 ( 2.256 -4.451 9.790) 10.989 6.578 ( -11.938 -8.687 -2.672) 15.004 6.578 ( 11.938 -8.687 -2.672) 15.004 7.301 ( -15.232 -8.095 9.033) 19.472 7.301 ( 15.232 -8.095 9.033) 19.472 8.440 ( -12.118 9.671 -4.166) 16.054 8.440 ( 12.118 9.671 -4.166) 16.054 8.983 ( -1.444 2.891 -18.235) 18.519 8.983 ( 1.444 2.891 -18.235) 18.519 9.329 ( -2.463 2.346 -10.287) 10.835 9.329 ( 2.463 2.346 -10.287) 10.835 10.516 ( -1.677 -2.334 10.798) 11.174 10.516 ( 1.677 -2.334 10.798) 11.174 10.882 ( -8.322 -0.697 0.469) 8.364 10.882 ( 8.322 -0.697 0.469) 8.364 11.278 ( -15.347 -13.084 -1.975) 20.264 11.278 ( 15.347 -13.084 -1.975) 20.264 12.369 ( -5.938 3.672 -5.141) 8.671 12.369 ( 5.938 3.672 -5.141) 8.671 18.271 ( -0.586 -0.901 -16.247) 16.282 18.271 ( 0.586 -0.901 -16.247) 16.282 19.712 ( -9.354 1.999 26.815) 28.470 19.712 ( 9.354 1.999 26.815) 28.470 20.988 ( -3.423 -2.202 1.915) 4.498 20.988 ( 3.423 -2.202 1.915) 4.498 21.199 ( -3.471 -0.891 -13.527) 13.994 21.199 ( 3.471 -0.891 -13.527) 13.994 ======================= Grid point 273 (58/75) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 1.488 1.488 9.552) 9.781 2.046 ( -1.211 -1.211 10.562) 10.700 2.447 ( 3.758 3.758 -5.244) 7.466 2.494 ( 6.519 6.519 -0.320) 9.225 2.568 ( -0.090 -0.090 -3.920) 3.922 2.591 ( 4.641 4.641 4.047) 7.711 2.735 ( -0.945 -0.945 -6.201) 6.343 2.835 ( -6.605 -6.605 -7.635) 12.064 2.901 ( 6.972 6.972 0.026) 9.860 3.030 ( -1.730 -1.730 1.296) 2.768 3.163 ( -1.717 -1.717 -4.652) 5.248 3.341 ( 5.535 5.535 -2.787) 8.309 3.359 ( 0.083 0.083 5.410) 5.411 3.908 ( -11.854 -11.854 6.033) 17.817 3.931 ( 5.991 5.991 9.849) 12.992 3.998 ( 1.343 1.343 14.137) 14.264 4.325 ( 2.790 2.790 -1.430) 4.197 4.422 ( -2.793 -2.793 -0.546) 3.987 4.565 ( 12.764 12.764 8.116) 19.792 4.856 ( 3.324 3.324 -3.520) 5.873 4.946 ( 7.622 7.622 11.064) 15.447 5.167 ( 10.687 10.687 17.146) 22.856 5.188 ( 0.052 0.052 -5.833) 5.833 5.719 ( -8.597 -8.597 23.919) 26.831 5.832 ( 3.138 3.138 1.540) 4.697 6.096 ( 3.498 3.498 5.658) 7.516 6.105 ( -8.280 -8.280 3.489) 12.218 6.156 ( -5.046 -5.046 9.063) 11.535 6.361 ( -2.749 -2.749 5.002) 6.335 6.664 ( -8.438 -8.438 18.103) 21.682 7.009 ( -0.204 -0.204 -29.438) 29.439 7.375 ( -12.829 -12.829 3.524) 18.482 8.399 ( 15.322 15.322 -0.935) 21.688 8.585 ( 1.733 1.733 -5.537) 6.055 8.996 ( 2.242 2.242 -16.308) 16.613 9.108 ( 1.613 1.613 -16.582) 16.739 9.313 ( 2.098 2.098 -9.715) 10.158 9.380 ( 0.684 0.684 -9.756) 9.804 10.505 ( -1.642 -1.642 8.804) 9.105 10.514 ( -2.489 -2.489 9.590) 10.216 10.796 ( 1.722 1.722 -1.565) 2.894 10.882 ( 4.793 4.793 3.299) 7.538 11.012 ( -7.244 -7.244 -1.457) 10.348 11.300 ( -15.236 -15.236 1.099) 21.575 12.348 ( 4.471 4.471 -8.219) 10.369 12.466 ( -1.572 -1.572 -8.663) 8.944 18.254 ( -0.175 -0.175 -15.344) 15.346 18.267 ( -0.757 -0.757 -16.069) 16.105 19.645 ( 5.387 5.387 27.943) 28.963 19.833 ( -4.100 -4.100 27.866) 28.462 20.928 ( 0.400 0.400 3.428) 3.475 20.999 ( -2.817 -2.817 1.644) 4.310 21.155 ( 0.907 0.907 -16.041) 16.092 21.225 ( -2.451 -2.451 -13.524) 13.961 ======================= Grid point 274 (59/75) ======================= q-point: (-0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -1.872 -0.751 9.665) 9.873 2.015 ( 1.872 -0.751 9.665) 9.873 2.512 ( -3.341 4.774 -4.415) 7.310 2.512 ( 3.341 4.774 -4.415) 7.310 2.622 ( -4.890 3.843 -0.405) 6.233 2.622 ( 4.890 3.843 -0.405) 6.233 2.741 ( -3.396 -4.907 -6.149) 8.569 2.741 ( 3.396 -4.907 -6.149) 8.569 2.998 ( -2.345 1.229 2.817) 3.866 2.998 ( 2.345 1.229 2.817) 3.866 3.203 ( -6.689 7.098 -3.676) 10.423 3.203 ( 6.689 7.098 -3.676) 10.423 3.626 ( -15.676 -7.419 3.957) 17.788 3.626 ( 15.676 -7.419 3.957) 17.788 4.007 ( -1.499 -0.093 14.282) 14.361 4.007 ( 1.499 -0.093 14.282) 14.361 4.369 ( -2.295 1.622 -0.375) 2.835 4.369 ( 2.295 1.622 -0.375) 2.835 4.785 ( -8.854 12.335 0.975) 15.215 4.785 ( 8.854 12.335 0.975) 15.215 5.105 ( -6.767 3.843 1.376) 7.903 5.105 ( 6.767 3.843 1.376) 7.903 5.454 ( -16.707 0.379 25.322) 30.339 5.454 ( 16.707 0.379 25.322) 30.339 5.944 ( -7.796 -5.487 1.238) 9.613 5.944 ( 7.796 -5.487 1.238) 9.613 6.115 ( -1.021 -2.964 14.518) 14.853 6.115 ( 1.021 -2.964 14.518) 14.853 6.463 ( -11.485 -0.827 3.747) 12.109 6.463 ( 11.485 -0.827 3.747) 12.109 7.134 ( -11.669 -9.113 -14.306) 20.588 7.134 ( 11.669 -9.113 -14.306) 20.588 8.579 ( -3.637 4.554 -2.340) 6.281 8.579 ( 3.637 4.554 -2.340) 6.281 9.067 ( -4.702 5.389 -15.690) 17.243 9.067 ( 4.702 5.389 -15.690) 17.243 9.362 ( -2.396 0.926 -9.659) 9.994 9.362 ( 2.396 0.926 -9.659) 9.994 10.490 ( -0.424 -0.166 7.998) 8.011 10.490 ( 0.424 -0.166 7.998) 8.011 10.860 ( -5.732 -1.884 -0.143) 6.035 10.860 ( 5.732 -1.884 -0.143) 6.035 11.055 ( -10.528 -9.192 1.550) 14.062 11.055 ( 10.528 -9.192 1.550) 14.062 12.420 ( -3.217 1.812 -9.832) 10.503 12.421 ( 3.217 1.812 -9.832) 10.503 18.256 ( -0.376 -0.582 -15.469) 15.485 18.256 ( 0.376 -0.582 -15.469) 15.485 19.745 ( -5.132 1.405 28.536) 29.027 19.745 ( 5.132 1.405 28.536) 29.027 20.952 ( -2.047 -1.475 2.999) 3.919 20.952 ( 2.047 -1.475 2.999) 3.919 21.182 ( -1.928 -0.734 -15.570) 15.706 21.182 ( 1.928 -0.734 -15.570) 15.706 ======================= Grid point 287 (60/75) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 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 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.000 0.000 9.339) 9.339 2.007 ( 0.000 0.000 9.339) 9.339 2.573 ( -0.000 -0.000 -2.556) 2.556 2.573 ( 0.000 0.000 -2.556) 2.556 2.654 ( -0.000 -0.000 -13.314) 13.314 2.654 ( 0.000 0.000 -13.314) 13.314 2.691 ( -0.000 -0.000 3.950) 3.950 2.691 ( 0.000 0.000 3.950) 3.950 2.990 ( -0.000 -0.000 0.081) 0.081 2.990 ( 0.000 0.000 0.081) 0.081 3.384 ( -0.000 -0.000 4.191) 4.191 3.384 ( 0.000 0.000 4.191) 4.191 3.447 ( -0.000 -0.000 -1.777) 1.777 3.447 ( 0.000 0.000 -1.777) 1.777 4.013 ( 0.000 0.000 16.909) 16.909 4.013 ( 0.000 0.000 16.909) 16.909 4.380 ( -0.000 -0.000 0.112) 0.112 4.380 ( 0.000 0.000 0.112) 0.112 4.939 ( -0.000 -0.000 -5.375) 5.375 4.939 ( 0.000 0.000 -5.375) 5.375 5.138 ( 0.000 0.000 -0.097) 0.097 5.138 ( 0.000 0.000 -0.097) 0.097 5.440 ( -0.000 -0.000 36.131) 36.131 5.440 ( 0.000 0.000 36.131) 36.131 5.891 ( 0.000 0.000 1.657) 1.657 5.891 ( 0.000 0.000 1.657) 1.657 6.063 ( 0.000 0.000 15.410) 15.410 6.063 ( 0.000 0.000 15.410) 15.410 6.493 ( -0.000 -0.000 17.082) 17.082 6.493 ( 0.000 0.000 17.082) 17.082 7.025 ( 0.000 0.000 -33.083) 33.083 7.025 ( 0.000 0.000 -33.083) 33.083 8.619 ( 0.000 0.000 -3.071) 3.071 8.619 ( 0.000 0.000 -3.071) 3.071 9.132 ( 0.000 0.000 -13.344) 13.344 9.132 ( 0.000 0.000 -13.344) 13.344 9.366 ( 0.000 0.000 -8.307) 8.307 9.366 ( 0.000 0.000 -8.307) 8.307 10.497 ( 0.000 0.000 5.325) 5.325 10.497 ( 0.000 0.000 5.325) 5.325 10.826 ( -0.000 -0.000 -0.162) 0.162 10.826 ( 0.000 0.000 -0.162) 0.162 10.971 ( 0.000 0.000 3.226) 3.226 10.971 ( 0.000 0.000 3.226) 3.226 12.437 ( 0.000 0.000 -11.414) 11.414 12.437 ( 0.000 0.000 -11.414) 11.414 18.250 ( 0.000 0.000 -15.157) 15.157 18.250 ( 0.000 0.000 -15.157) 15.157 19.759 ( 0.000 0.000 29.272) 29.272 19.759 ( 0.000 0.000 29.272) 29.272 20.937 ( 0.000 0.000 3.333) 3.333 20.937 ( 0.000 0.000 3.333) 3.333 21.175 ( 0.000 0.000 -16.344) 16.344 21.175 ( 0.000 0.000 -16.344) 16.344 ======================= Grid point 324 (61/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -0.000 -0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.127 ( -0.000 0.000 0.000) 0.000 2.127 ( -0.000 -0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.517 ( -0.000 -0.000 0.000) 0.000 2.962 ( -0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.045 ( -0.000 -0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.539 ( -0.000 -0.000 0.000) 0.000 4.158 ( -0.000 0.000 0.000) 0.000 4.424 ( -0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 -0.000 -0.000) 0.000 4.589 ( 0.000 -0.000 -0.000) 0.000 4.639 ( 0.000 -0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 5.257 ( -0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 -0.000 0.000) 0.000 5.839 ( -0.000 0.000 0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 6.870 ( -0.000 -0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.260 ( -0.000 -0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.591 ( 0.000 0.000 0.000) 0.000 8.591 ( 0.000 0.000 0.000) 0.000 8.593 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.990 ( 0.000 0.000 0.000) 0.000 9.990 ( 0.000 0.000 0.000) 0.000 10.956 ( 0.000 -0.000 0.000) 0.000 11.169 ( -0.000 -0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 11.941 ( -0.000 -0.000 0.000) 0.000 12.749 ( 0.000 0.000 0.000) 0.000 12.749 ( 0.000 0.000 0.000) 0.000 18.093 ( 0.000 0.000 0.000) 0.000 18.093 ( 0.000 0.000 0.000) 0.000 19.508 ( 0.000 0.000 0.000) 0.000 20.730 ( 0.000 0.000 0.000) 0.000 20.976 ( 0.000 0.000 0.000) 0.000 20.976 ( -0.000 0.000 0.000) 0.000 21.096 ( -0.000 -0.000 0.000) 0.000 21.439 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 326 (62/75) ======================= q-point: ( 0.12 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 2.785 0.000 -0.000) 2.785 1.942 ( 4.233 0.000 0.000) 4.233 2.087 ( 1.570 0.000 0.000) 1.570 2.194 ( 6.916 0.000 -0.000) 6.916 2.205 ( 7.845 0.000 0.000) 7.845 2.502 ( -1.691 0.000 0.000) 1.691 2.503 ( 7.451 0.000 -0.000) 7.451 2.533 ( 1.903 0.000 0.000) 1.903 2.845 ( -4.790 0.000 0.000) 4.790 2.949 ( 1.244 0.000 0.000) 1.244 3.051 ( 0.590 0.000 0.000) 0.590 3.271 ( 10.589 0.000 0.000) 10.589 3.472 ( -1.131 0.000 0.000) 1.131 3.520 ( -1.432 0.000 0.000) 1.432 3.606 ( 15.106 0.000 0.000) 15.106 4.104 ( -20.128 0.000 0.000) 20.128 4.140 ( -2.078 0.000 -0.000) 2.078 4.334 ( -9.230 0.000 0.000) 9.230 4.593 ( 0.468 0.000 0.000) 0.468 4.610 ( 2.184 0.000 -0.000) 2.184 4.657 ( 1.760 0.000 0.000) 1.760 5.104 ( 16.563 0.000 0.000) 16.563 5.236 ( 3.476 0.000 0.000) 3.476 5.279 ( -9.537 0.000 -0.000) 9.537 5.609 ( 8.649 0.000 -0.000) 8.649 5.688 ( 28.532 0.000 0.000) 28.532 5.875 ( 3.169 0.000 -0.000) 3.169 6.788 ( -5.056 0.000 0.000) 5.056 6.841 ( -3.360 0.000 -0.000) 3.360 6.850 ( -1.833 0.000 -0.000) 1.833 7.871 ( -15.485 0.000 0.000) 15.485 7.911 ( -17.801 0.000 0.000) 17.801 8.283 ( 2.119 0.000 0.000) 2.119 8.411 ( 5.748 0.000 0.000) 5.748 8.550 ( -4.017 0.000 -0.000) 4.017 8.589 ( -0.825 0.000 0.000) 0.825 8.762 ( 14.195 0.000 0.000) 14.195 9.408 ( -2.869 0.000 0.000) 2.869 10.068 ( 8.116 0.000 0.000) 8.116 10.152 ( 15.661 0.000 0.000) 15.661 10.921 ( -3.594 0.000 0.000) 3.594 11.187 ( 1.567 0.000 -0.000) 1.567 11.671 ( -14.727 0.000 0.000) 14.727 11.975 ( 3.442 0.000 0.000) 3.442 12.653 ( -10.057 0.000 0.000) 10.057 12.705 ( -4.578 0.000 0.000) 4.578 18.092 ( -0.110 0.000 0.000) 0.110 18.099 ( 0.541 0.000 0.000) 0.541 19.539 ( 3.290 0.000 0.000) 3.290 20.747 ( 1.790 0.000 -0.000) 1.790 20.780 ( -14.283 0.000 0.000) 14.283 20.981 ( 0.577 0.000 0.000) 0.577 21.202 ( 5.108 0.000 0.000) 5.108 21.386 ( -5.330 0.000 0.000) 5.330 ======================= Grid point 328 (63/75) ======================= q-point: ( 0.25 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 5.117 0.000 -0.000) 5.117 2.056 ( 7.641 0.000 0.000) 7.641 2.130 ( 2.941 0.000 0.000) 2.941 2.351 ( 7.150 0.000 0.000) 7.150 2.397 ( 11.818 0.000 0.000) 11.818 2.452 ( -3.668 0.000 -0.000) 3.668 2.574 ( 1.035 0.000 0.000) 1.035 2.575 ( 2.209 0.000 0.000) 2.209 2.819 ( 2.154 0.000 0.000) 2.154 3.064 ( 0.659 0.000 -0.000) 0.659 3.118 ( 14.990 0.000 0.000) 14.990 3.376 ( 1.513 0.000 0.000) 1.513 3.441 ( -2.068 0.000 0.000) 2.068 3.512 ( 2.122 0.000 0.000) 2.122 3.827 ( -8.448 0.000 0.000) 8.448 4.030 ( 26.300 0.000 0.000) 26.300 4.071 ( -5.389 0.000 -0.000) 5.389 4.094 ( -15.721 0.000 0.000) 15.721 4.606 ( 0.797 0.000 0.000) 0.797 4.677 ( 5.513 0.000 -0.000) 5.513 4.699 ( 2.200 0.000 0.000) 2.200 5.068 ( -12.625 0.000 -0.000) 12.625 5.136 ( -2.794 0.000 0.000) 2.794 5.490 ( 15.478 0.000 0.000) 15.478 5.792 ( 10.819 0.000 0.000) 10.819 5.908 ( -1.639 0.000 -0.000) 1.639 6.302 ( 27.680 0.000 0.000) 27.680 6.660 ( -8.572 0.000 0.000) 8.572 6.756 ( -4.969 0.000 0.000) 4.969 6.840 ( 2.861 0.000 -0.000) 2.861 7.553 ( -14.356 0.000 0.000) 14.356 7.636 ( -9.628 0.000 0.000) 9.628 8.279 ( -5.584 0.000 0.000) 5.584 8.504 ( 2.321 0.000 -0.000) 2.321 8.522 ( 6.462 0.000 0.000) 6.462 8.541 ( -4.925 0.000 0.000) 4.925 9.015 ( 11.289 0.000 0.000) 11.289 9.331 ( -5.141 0.000 0.000) 5.141 10.285 ( 14.511 0.000 0.000) 14.511 10.518 ( 22.089 0.000 0.000) 22.089 10.832 ( -5.445 0.000 0.000) 5.445 11.206 ( -0.263 0.000 -0.000) 0.263 11.312 ( -21.692 0.000 0.000) 21.692 12.057 ( 4.545 0.000 0.000) 4.545 12.387 ( -17.311 0.000 0.000) 17.311 12.589 ( -7.319 0.000 0.000) 7.319 18.091 ( 0.027 0.000 0.000) 0.027 18.109 ( 0.376 0.000 0.000) 0.376 19.629 ( 6.228 0.000 0.000) 6.228 20.495 ( -15.501 0.000 -0.000) 15.501 20.796 ( 3.349 0.000 -0.000) 3.349 21.002 ( 1.809 0.000 0.000) 1.809 21.249 ( -0.095 0.000 0.000) 0.095 21.256 ( -7.886 0.000 -0.000) 7.886 ======================= Grid point 330 (64/75) ======================= q-point: ( 0.38 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 6.612 0.000 -0.000) 6.612 2.195 ( 3.913 0.000 0.000) 3.913 2.218 ( 9.168 0.000 0.000) 9.168 2.361 ( -3.939 0.000 0.000) 3.939 2.365 ( -5.350 0.000 -0.000) 5.350 2.533 ( -5.205 0.000 0.000) 5.205 2.621 ( 11.214 0.000 0.000) 11.214 2.714 ( 9.463 0.000 -0.000) 9.463 2.914 ( 6.640 0.000 0.000) 6.640 3.067 ( -0.725 0.000 -0.000) 0.725 3.323 ( 4.804 0.000 0.000) 4.804 3.368 ( -0.995 0.000 0.000) 0.995 3.398 ( -2.338 0.000 -0.000) 2.338 3.610 ( 7.497 0.000 -0.000) 7.497 3.769 ( -18.028 0.000 0.000) 18.028 3.882 ( 15.467 0.000 0.000) 15.467 3.940 ( -8.264 0.000 0.000) 8.264 4.449 ( 14.276 0.000 0.000) 14.276 4.614 ( -0.219 0.000 0.000) 0.219 4.635 ( -13.671 0.000 0.000) 13.671 4.886 ( 19.427 0.000 -0.000) 19.427 4.902 ( -0.374 0.000 0.000) 0.374 5.067 ( -4.461 0.000 0.000) 4.461 5.749 ( -15.830 0.000 0.000) 15.830 5.781 ( 15.365 0.000 -0.000) 15.365 6.002 ( 10.230 0.000 0.000) 10.230 6.476 ( -9.761 0.000 0.000) 9.761 6.511 ( -0.952 0.000 0.000) 0.952 6.683 ( -2.172 0.000 0.000) 2.172 6.857 ( -8.072 0.000 0.000) 8.072 7.595 ( 21.011 0.000 0.000) 21.011 7.599 ( 5.723 0.000 -0.000) 5.723 8.079 ( -13.867 0.000 -0.000) 13.867 8.379 ( -12.823 0.000 -0.000) 12.823 8.624 ( 7.917 0.000 0.000) 7.917 8.648 ( 6.295 0.000 0.000) 6.295 9.157 ( 3.500 0.000 0.000) 3.500 9.228 ( -5.053 0.000 0.000) 5.053 10.590 ( 17.021 0.000 0.000) 17.021 10.739 ( -3.655 0.000 -0.000) 3.655 10.932 ( -16.649 0.000 0.001) 16.649 10.932 ( 17.709 0.000 -0.001) 17.709 11.173 ( 0.057 0.000 -0.000) 0.057 11.942 ( -21.438 0.000 0.000) 21.438 12.214 ( 3.979 0.000 0.000) 3.979 12.447 ( -7.304 0.000 0.000) 7.304 18.094 ( 0.356 0.000 0.000) 0.356 18.111 ( -0.203 0.000 0.000) 0.203 19.772 ( 8.965 0.000 0.000) 8.965 20.212 ( -14.239 0.000 -0.000) 14.239 20.872 ( 4.751 0.000 -0.000) 4.751 21.052 ( 3.499 0.000 0.000) 3.499 21.107 ( -7.661 0.000 0.000) 7.661 21.210 ( -3.608 0.000 -0.000) 3.608 ======================= Grid point 332 (65/75) ======================= q-point: (-0.50 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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -6.524 0.000 0.000) 6.524 2.243 ( 6.524 0.000 0.000) 6.524 2.276 ( -4.589 0.000 -0.000) 4.589 2.276 ( 4.589 0.000 -0.000) 4.589 2.398 ( -8.533 0.000 0.000) 8.533 2.398 ( 8.533 0.000 0.000) 8.533 2.779 ( -3.846 0.000 0.000) 3.846 2.779 ( 3.846 0.000 0.000) 3.846 3.023 ( -4.209 0.000 0.000) 4.209 3.023 ( 4.209 0.000 0.000) 4.209 3.365 ( -0.879 0.000 0.000) 0.879 3.365 ( 0.879 0.000 0.000) 0.879 3.461 ( -12.831 0.000 0.000) 12.831 3.461 ( 12.831 0.000 0.000) 12.831 3.772 ( -9.214 0.000 0.000) 9.214 3.772 ( 9.214 0.000 0.000) 9.214 4.270 ( -22.205 0.000 0.000) 22.205 4.270 ( 22.205 0.000 0.000) 22.205 4.587 ( -3.117 0.000 0.000) 3.117 4.587 ( 3.117 0.000 0.000) 3.117 4.972 ( -5.302 0.000 0.000) 5.302 4.972 ( 5.302 0.000 0.000) 5.302 5.345 ( -25.412 0.000 0.000) 25.412 5.345 ( 25.412 0.000 0.000) 25.412 6.036 ( -9.269 0.000 0.000) 9.269 6.036 ( 9.269 0.000 -0.000) 9.269 6.422 ( -5.565 0.000 0.000) 5.565 6.422 ( 5.565 0.000 0.000) 5.565 6.698 ( -4.753 0.000 0.000) 4.753 6.698 ( 4.753 0.000 0.000) 4.753 7.803 ( -14.252 0.000 0.000) 14.252 7.803 ( 14.252 0.000 0.000) 14.252 8.047 ( -22.302 0.000 0.000) 22.302 8.047 ( 22.302 0.000 -0.000) 22.302 8.718 ( -0.366 0.000 0.000) 0.366 8.718 ( 0.366 0.000 0.000) 0.366 9.174 ( -0.389 0.000 0.000) 0.389 9.174 ( 0.389 0.000 0.000) 0.389 10.733 ( -4.306 0.000 0.000) 4.306 10.733 ( 4.306 0.000 0.000) 4.306 10.888 ( -13.404 0.000 0.000) 13.404 10.888 ( 13.404 0.000 0.000) 13.404 11.490 ( -24.656 0.000 0.000) 24.656 11.490 ( 24.656 0.000 0.000) 24.656 12.320 ( -6.268 0.000 0.000) 6.268 12.320 ( 6.268 0.000 0.000) 6.268 18.103 ( -0.517 0.000 0.000) 0.517 18.103 ( 0.517 0.000 0.000) 0.517 19.967 ( -11.748 0.000 0.000) 11.748 19.967 ( 11.748 0.000 0.000) 11.748 20.975 ( -6.244 0.000 0.000) 6.244 20.975 ( 6.244 0.000 -0.000) 6.244 21.129 ( -4.536 0.000 0.000) 4.536 21.129 ( 4.536 0.000 0.000) 4.536 ======================= Grid point 344 (66/75) ======================= q-point: ( 0.12 0.12 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 3.361 3.361 0.000) 4.753 1.969 ( 3.515 3.515 0.000) 4.971 2.093 ( 0.953 0.953 -0.000) 1.348 2.185 ( 4.079 4.079 -0.000) 5.768 2.328 ( 6.503 6.503 0.000) 9.197 2.508 ( -0.391 -0.391 0.000) 0.553 2.529 ( 0.759 0.759 0.000) 1.073 2.606 ( 9.032 9.032 -0.000) 12.773 2.783 ( -3.569 -3.569 -0.000) 5.048 2.964 ( 3.884 3.884 -0.000) 5.493 3.075 ( 0.957 0.957 0.000) 1.353 3.320 ( 1.765 1.765 0.000) 2.496 3.455 ( -5.085 -5.085 0.000) 7.191 3.608 ( 6.219 6.219 0.000) 8.795 3.671 ( 14.989 14.989 0.000) 21.198 3.920 ( -13.241 -13.241 0.000) 18.725 4.175 ( 2.675 2.675 -0.000) 3.783 4.365 ( -2.512 -2.512 0.000) 3.553 4.559 ( -1.447 -1.447 -0.000) 2.046 4.623 ( -1.379 -1.379 0.000) 1.950 4.649 ( 2.431 2.431 0.000) 3.438 5.154 ( 0.226 0.226 0.000) 0.320 5.178 ( -7.527 -7.527 0.000) 10.645 5.307 ( 9.776 9.776 0.000) 13.826 5.630 ( 3.698 3.698 0.000) 5.229 5.919 ( 4.006 4.006 -0.000) 5.666 6.001 ( 26.151 26.151 -0.000) 36.984 6.740 ( -4.616 -4.616 -0.000) 6.529 6.815 ( -1.095 -1.095 -0.000) 1.548 6.842 ( -1.733 -1.733 -0.000) 2.451 7.711 ( -15.198 -15.198 0.000) 21.493 7.758 ( -13.416 -13.416 0.000) 18.974 8.276 ( -0.038 -0.038 0.000) 0.054 8.476 ( 5.083 5.083 0.000) 7.189 8.510 ( -3.636 -3.636 0.000) 5.142 8.611 ( 1.486 1.486 -0.000) 2.102 8.876 ( 10.174 10.174 -0.000) 14.388 9.381 ( -2.762 -2.762 0.000) 3.906 10.170 ( 8.565 8.565 0.000) 12.112 10.241 ( 10.839 10.839 0.000) 15.329 10.888 ( -3.376 -3.376 0.000) 4.775 11.199 ( 1.002 1.002 -0.000) 1.417 11.540 ( -13.278 -13.278 0.000) 18.778 12.005 ( 3.112 3.112 0.000) 4.401 12.536 ( -11.062 -11.062 0.000) 15.643 12.682 ( -3.374 -3.374 0.000) 4.771 18.093 ( -0.033 -0.033 0.000) 0.047 18.101 ( 0.267 0.267 0.000) 0.378 19.571 ( 3.377 3.377 0.000) 4.776 20.686 ( -9.409 -9.409 -0.000) 13.306 20.762 ( 1.581 1.581 -0.000) 2.235 20.966 ( -0.422 -0.422 0.000) 0.597 21.235 ( 2.053 2.053 0.000) 2.903 21.339 ( -4.740 -4.740 0.000) 6.703 ======================= Grid point 346 (67/75) ======================= q-point: ( 0.25 0.12 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 4.751 3.723 0.000) 6.036 2.081 ( 7.623 2.529 0.000) 8.032 2.130 ( 2.737 -0.064 -0.000) 2.737 2.335 ( 11.030 1.893 -0.000) 11.191 2.398 ( 0.319 -0.377 0.000) 0.494 2.463 ( -3.715 1.513 -0.000) 4.011 2.581 ( 2.868 0.225 0.000) 2.876 2.751 ( 6.933 13.824 -0.000) 15.465 2.752 ( 0.700 -4.566 0.000) 4.619 3.080 ( -0.363 0.460 -0.000) 0.586 3.176 ( 16.293 7.003 0.000) 17.734 3.318 ( -1.799 -3.638 0.000) 4.058 3.344 ( -5.484 -9.037 -0.000) 10.570 3.694 ( 5.390 14.421 -0.000) 15.396 3.715 ( -6.429 -8.565 0.000) 10.710 4.111 ( 25.398 10.352 0.000) 27.426 4.193 ( -0.821 10.421 0.000) 10.453 4.195 ( -13.917 7.330 -0.000) 15.730 4.567 ( 2.550 -3.255 -0.000) 4.135 4.633 ( 0.962 -7.432 0.000) 7.494 4.703 ( 4.026 1.856 0.000) 4.434 5.023 ( -8.557 -3.103 0.000) 9.103 5.125 ( -2.563 -1.263 0.000) 2.858 5.535 ( 13.095 4.347 -0.000) 13.798 5.747 ( 8.769 -2.044 0.000) 9.005 5.974 ( -0.257 6.595 -0.000) 6.600 6.406 ( 9.785 3.853 -0.000) 10.516 6.614 ( -8.830 -4.757 -0.000) 10.030 6.773 ( -4.492 0.006 -0.000) 4.492 6.936 ( 13.664 15.231 0.000) 20.462 7.408 ( -10.747 -13.822 -0.000) 17.508 7.520 ( -9.172 -11.350 0.000) 14.593 8.226 ( -7.556 -5.542 -0.000) 9.371 8.476 ( 2.295 -1.247 0.000) 2.612 8.587 ( 6.484 4.875 0.000) 8.113 8.608 ( -2.643 5.929 0.000) 6.491 9.070 ( 8.972 5.157 0.000) 10.349 9.308 ( -4.801 -2.323 0.000) 5.333 10.359 ( 12.037 7.391 0.000) 14.125 10.542 ( 19.336 2.723 0.000) 19.527 10.804 ( -5.097 -2.805 0.000) 5.818 11.204 ( -1.046 -0.336 -0.000) 1.098 11.217 ( -19.370 -9.516 0.000) 21.581 12.079 ( 3.471 2.140 0.000) 4.078 12.263 ( -16.591 -11.930 0.000) 20.435 12.582 ( -6.774 -1.478 0.000) 6.933 18.091 ( -0.041 0.022 0.000) 0.046 18.107 ( 0.231 -0.187 0.000) 0.298 19.663 ( 6.277 3.515 0.000) 7.194 20.466 ( -13.045 -3.167 -0.000) 13.424 20.805 ( 2.991 1.016 -0.000) 3.159 20.978 ( 1.688 -1.941 0.000) 2.573 21.223 ( -7.088 -3.373 0.000) 7.850 21.246 ( -1.209 -0.637 -0.000) 1.367 ======================= Grid point 348 (68/75) ======================= q-point: ( 0.38 0.12 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 6.149 2.879 -0.000) 6.790 2.191 ( 3.704 -0.568 0.000) 3.747 2.246 ( 9.520 2.424 -0.000) 9.824 2.348 ( -4.052 -1.468 0.000) 4.309 2.376 ( -5.428 1.649 -0.000) 5.673 2.563 ( -4.935 2.927 -0.000) 5.738 2.578 ( 13.362 0.706 0.000) 13.381 2.833 ( 7.058 -6.916 -0.000) 9.881 2.866 ( 2.998 10.690 0.000) 11.102 3.055 ( -2.795 -2.211 -0.000) 3.564 3.253 ( -2.441 -10.222 0.000) 10.509 3.287 ( -2.379 -5.979 0.000) 6.435 3.384 ( 5.640 6.354 -0.000) 8.496 3.779 ( 5.298 0.247 -0.000) 5.304 3.817 ( 7.461 15.773 0.000) 17.449 3.931 ( -4.740 5.701 0.000) 7.414 4.106 ( -6.446 13.981 -0.000) 15.396 4.500 ( 10.907 4.764 -0.000) 11.902 4.558 ( -11.525 -7.871 0.000) 13.956 4.621 ( 1.406 1.446 -0.000) 2.017 4.919 ( 22.434 3.800 -0.000) 22.753 4.919 ( -0.262 1.812 0.000) 1.831 5.063 ( -3.993 -0.351 0.000) 4.009 5.788 ( 13.608 0.667 -0.000) 13.624 5.831 ( -15.725 8.646 0.000) 17.946 5.944 ( 11.006 -4.577 -0.000) 11.920 6.423 ( -10.460 -5.200 -0.000) 11.681 6.440 ( -2.611 -5.912 0.000) 6.463 6.689 ( -3.710 -1.224 -0.000) 3.906 6.865 ( -14.632 -2.444 0.000) 14.835 7.489 ( 6.308 -11.334 0.000) 12.971 7.678 ( 28.691 11.174 -0.000) 30.790 8.003 ( -14.787 -8.016 0.000) 16.820 8.484 ( -11.179 10.001 -0.000) 15.000 8.583 ( 7.607 -2.007 0.000) 7.867 8.701 ( 4.573 3.184 0.000) 5.573 9.176 ( 1.590 1.356 0.000) 2.089 9.222 ( -3.174 -0.096 0.000) 3.175 10.617 ( 14.831 2.820 0.000) 15.097 10.717 ( -3.450 -2.206 0.000) 4.095 10.881 ( -14.576 -5.097 0.000) 15.441 10.916 ( 17.092 -1.595 -0.000) 17.166 11.154 ( -1.918 -2.071 0.000) 2.823 11.850 ( -22.013 -9.611 0.000) 24.020 12.208 ( 5.480 -0.053 0.000) 5.480 12.447 ( -7.172 -0.377 0.000) 7.181 18.093 ( 0.259 -0.117 0.000) 0.284 18.107 ( -0.215 -0.347 0.000) 0.409 19.805 ( 8.773 3.383 0.000) 9.403 20.219 ( -12.861 0.549 -0.000) 12.872 20.874 ( 4.304 0.224 -0.000) 4.310 21.028 ( 3.597 -2.252 0.000) 4.243 21.088 ( -6.964 -1.928 0.000) 7.226 21.194 ( -4.001 -1.758 -0.000) 4.370 ======================= Grid point 350 (69/75) ======================= q-point: (-0.50 0.12 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -6.363 2.041 0.000) 6.682 2.263 ( 6.363 2.041 0.000) 6.682 2.267 ( -4.307 -1.044 -0.000) 4.432 2.267 ( 4.307 -1.044 -0.000) 4.432 2.425 ( -9.012 2.812 0.000) 9.440 2.425 ( 9.012 2.812 0.000) 9.440 2.801 ( -9.171 3.151 -0.000) 9.698 2.801 ( 9.171 3.151 0.000) 9.698 2.967 ( -6.334 -5.885 0.000) 8.646 2.967 ( 6.334 -5.885 0.000) 8.646 3.248 ( -1.429 -7.863 0.000) 7.991 3.248 ( 1.429 -7.863 0.000) 7.991 3.560 ( -13.729 9.114 0.000) 16.479 3.560 ( 13.729 9.114 0.000) 16.479 3.966 ( -8.056 15.353 0.000) 17.338 3.966 ( 8.056 15.353 0.000) 17.338 4.236 ( -20.562 -3.364 0.000) 20.835 4.236 ( 20.562 -3.364 0.000) 20.835 4.607 ( -2.665 2.244 0.000) 3.484 4.607 ( 2.665 2.244 0.000) 3.484 4.978 ( -4.718 0.707 0.000) 4.771 4.978 ( 4.718 0.707 0.000) 4.771 5.417 ( -26.548 7.767 0.000) 27.660 5.417 ( 26.548 7.767 -0.000) 27.660 6.015 ( -7.700 -1.861 0.000) 7.922 6.015 ( 7.700 -1.861 0.000) 7.922 6.343 ( -5.198 -7.013 0.000) 8.730 6.343 ( 5.198 -7.013 0.000) 8.730 6.675 ( -3.788 -3.441 0.000) 5.118 6.675 ( 3.788 -3.441 0.000) 5.118 7.710 ( -15.228 -9.834 0.000) 18.127 7.710 ( 15.228 -9.834 0.000) 18.127 8.173 ( -21.965 12.640 0.000) 25.343 8.173 ( 21.965 12.640 -0.000) 25.343 8.709 ( -4.219 -0.982 0.000) 4.332 8.709 ( 4.219 -0.982 0.000) 4.332 9.185 ( -1.611 1.170 0.000) 1.991 9.185 ( 1.611 1.170 0.000) 1.991 10.709 ( -3.643 -2.474 -0.000) 4.403 10.709 ( 3.643 -2.474 0.000) 4.403 10.886 ( -12.494 -0.253 0.000) 12.497 10.886 ( 12.494 -0.253 0.000) 12.497 11.420 ( -22.686 -7.049 0.000) 23.756 11.420 ( 22.686 -7.049 0.000) 23.756 12.320 ( -6.312 0.003 0.000) 6.312 12.320 ( 6.312 0.003 0.000) 6.312 18.100 ( -0.441 -0.281 0.000) 0.522 18.100 ( 0.441 -0.281 0.000) 0.522 19.992 ( -11.080 2.551 0.000) 11.370 19.992 ( 11.080 2.551 0.000) 11.370 20.968 ( -5.698 -0.737 0.000) 5.746 20.968 ( 5.698 -0.737 -0.000) 5.746 21.108 ( -4.700 -2.146 0.000) 5.166 21.108 ( 4.700 -2.146 0.000) 5.166 ======================= Grid point 364 (70/75) ======================= q-point: ( 0.25 0.25 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 5.022 5.022 -0.000) 7.103 2.140 ( 1.346 1.346 0.000) 1.904 2.150 ( 5.668 5.668 -0.000) 8.016 2.371 ( -2.558 -2.558 0.000) 3.618 2.450 ( 9.781 9.781 -0.000) 13.833 2.499 ( 0.063 0.063 -0.000) 0.089 2.578 ( 1.714 1.714 0.000) 2.424 2.704 ( -0.873 -0.873 -0.000) 1.234 2.989 ( 10.271 10.271 0.000) 14.525 3.057 ( -3.800 -3.800 -0.000) 5.373 3.162 ( -7.578 -7.578 0.000) 10.717 3.259 ( -3.321 -3.321 0.000) 4.696 3.388 ( 12.082 12.082 -0.000) 17.087 3.588 ( -1.175 -1.175 -0.000) 1.662 3.927 ( 9.753 9.753 -0.000) 13.793 4.282 ( -1.720 -1.720 0.000) 2.433 4.394 ( 8.037 8.037 -0.000) 11.366 4.403 ( 11.696 11.696 -0.000) 16.540 4.444 ( -9.161 -9.161 0.000) 12.955 4.554 ( 11.292 11.292 -0.000) 15.969 4.736 ( 2.073 2.073 0.000) 2.932 4.980 ( -1.586 -1.586 0.000) 2.243 5.096 ( -1.614 -1.614 0.000) 2.283 5.645 ( 7.356 7.356 0.000) 10.403 5.760 ( 3.579 3.579 0.000) 5.062 6.113 ( 5.789 5.789 -0.000) 8.187 6.389 ( -3.360 -3.360 0.000) 4.752 6.487 ( -8.471 -8.471 -0.000) 11.980 6.722 ( -4.761 -4.761 -0.000) 6.733 7.049 ( -18.451 -18.451 0.000) 26.094 7.274 ( -12.136 -12.136 0.000) 17.162 7.449 ( 30.134 30.134 -0.000) 42.615 8.062 ( -12.043 -12.043 0.000) 17.032 8.482 ( 2.339 2.339 0.000) 3.308 8.685 ( 5.004 5.004 0.000) 7.077 8.710 ( 3.543 3.543 0.000) 5.010 9.168 ( 3.957 3.957 0.000) 5.597 9.254 ( -2.534 -2.534 0.000) 3.584 10.526 ( 8.854 8.854 0.000) 12.522 10.646 ( 9.516 9.516 0.000) 13.457 10.735 ( -4.212 -4.212 0.000) 5.957 10.989 ( -13.487 -13.487 -0.000) 19.073 11.179 ( -2.816 -2.816 0.000) 3.983 11.968 ( -17.964 -17.964 0.000) 25.405 12.141 ( 3.672 3.672 0.000) 5.193 12.523 ( -4.550 -4.550 0.000) 6.434 18.091 ( -0.077 -0.077 0.000) 0.108 18.103 ( -0.172 -0.172 0.000) 0.243 19.756 ( 6.250 6.250 0.000) 8.839 20.373 ( -6.651 -6.651 -0.000) 9.406 20.834 ( 2.014 2.014 -0.000) 2.849 20.955 ( -0.073 -0.073 0.000) 0.103 21.140 ( -5.171 -5.171 0.000) 7.313 21.214 ( -2.779 -2.779 -0.000) 3.930 ======================= Grid point 366 (71/75) ======================= q-point: ( 0.38 0.25 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 2.725 -0.396 0.000) 2.754 2.220 ( 4.868 5.036 -0.000) 7.004 2.290 ( 7.689 2.251 0.000) 8.012 2.309 ( -3.746 -2.621 0.000) 4.572 2.444 ( -3.548 5.254 -0.000) 6.340 2.632 ( -2.793 3.830 -0.000) 4.740 2.675 ( 13.336 9.115 0.000) 16.153 2.707 ( 4.707 -5.421 0.000) 7.180 2.939 ( -6.455 -10.088 0.000) 11.977 3.080 ( -2.752 12.304 -0.000) 12.608 3.101 ( -0.362 -4.828 0.000) 4.841 3.192 ( -3.725 -4.626 0.000) 5.939 3.488 ( 7.202 1.086 -0.000) 7.283 3.822 ( 17.411 6.911 0.000) 18.732 4.058 ( -15.549 5.580 -0.000) 16.520 4.088 ( 7.826 11.742 0.000) 14.111 4.350 ( -5.776 9.044 -0.000) 10.732 4.361 ( -5.448 -11.918 0.000) 13.104 4.576 ( 7.478 4.161 -0.000) 8.558 4.720 ( -0.328 7.553 0.000) 7.560 4.968 ( 0.707 3.280 0.000) 3.355 5.061 ( -2.338 0.294 -0.000) 2.356 5.073 ( 30.624 14.715 -0.000) 33.976 5.807 ( 9.597 1.390 -0.000) 9.697 5.883 ( 9.125 -1.091 0.000) 9.190 6.062 ( -13.620 15.183 -0.000) 20.397 6.286 ( -9.159 -8.641 0.000) 12.592 6.341 ( -5.439 -4.229 0.000) 6.890 6.619 ( -5.505 -5.896 -0.000) 8.066 6.701 ( -15.653 -13.894 0.000) 20.930 7.194 ( 5.886 -19.128 0.000) 20.013 7.781 ( -17.275 -15.365 0.000) 23.119 8.027 ( 28.749 23.633 -0.000) 37.216 8.563 ( 5.878 -0.004 -0.000) 5.878 8.699 ( -5.618 11.293 0.000) 12.613 8.744 ( 0.206 0.857 0.000) 0.881 9.182 ( -0.038 0.090 0.000) 0.098 9.250 ( 0.076 2.282 0.000) 2.283 10.663 ( -2.945 -3.323 -0.000) 4.440 10.688 ( 9.267 4.365 0.000) 10.244 10.760 ( -9.679 -7.095 -0.000) 12.002 10.886 ( 13.505 -0.906 -0.000) 13.536 11.093 ( -5.241 -4.521 0.000) 6.922 11.605 ( -19.730 -15.416 0.000) 25.038 12.223 ( 4.807 1.548 0.000) 5.050 12.424 ( -5.660 -2.051 0.000) 6.020 18.090 ( 0.081 -0.175 0.000) 0.193 18.099 ( -0.266 -0.413 0.000) 0.492 19.892 ( 8.063 5.665 0.000) 9.854 20.225 ( -8.791 -0.214 -0.000) 8.794 20.882 ( 3.074 0.624 -0.000) 3.137 20.982 ( 2.880 -2.224 0.000) 3.639 21.040 ( -5.191 -2.996 0.000) 5.994 21.144 ( -4.518 -3.482 -0.000) 5.704 ======================= Grid point 368 (72/75) ======================= q-point: (-0.50 0.25 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -3.539 -1.735 0.000) 3.941 2.239 ( 3.539 -1.735 0.000) 3.941 2.313 ( -4.494 3.100 -0.000) 5.460 2.313 ( 4.494 3.100 -0.000) 5.460 2.500 ( -8.461 4.793 0.000) 9.724 2.500 ( 8.461 4.793 0.000) 9.724 2.826 ( -6.239 -7.891 0.000) 10.060 2.826 ( 6.239 -7.891 -0.000) 10.060 2.921 ( -11.995 9.687 0.000) 15.418 2.921 ( 11.995 9.687 0.000) 15.418 3.127 ( -2.860 -5.309 0.000) 6.031 3.127 ( 2.860 -5.309 0.000) 6.031 3.722 ( -15.634 5.258 0.000) 16.495 3.722 ( 15.634 5.258 0.000) 16.495 4.168 ( -14.515 -2.461 -0.000) 14.722 4.168 ( 14.515 -2.461 0.000) 14.722 4.228 ( -7.044 10.700 0.000) 12.811 4.228 ( 7.044 10.700 0.000) 12.811 4.681 ( -3.715 5.787 -0.000) 6.877 4.681 ( 3.715 5.787 -0.000) 6.877 5.008 ( -3.000 2.732 0.000) 4.057 5.008 ( 3.000 2.732 0.000) 4.057 5.643 ( -28.283 16.368 -0.000) 32.677 5.643 ( 28.283 16.368 -0.000) 32.677 5.980 ( -5.532 -1.715 0.000) 5.791 5.980 ( 5.532 -1.715 0.000) 5.791 6.201 ( -6.461 -7.349 0.000) 9.785 6.201 ( 6.461 -7.349 0.000) 9.785 6.554 ( -0.581 -9.009 0.000) 9.027 6.554 ( 0.581 -9.009 0.000) 9.027 7.442 ( -17.588 -18.302 0.000) 25.383 7.442 ( 17.588 -18.302 0.000) 25.383 8.477 ( -18.162 18.078 0.000) 25.626 8.477 ( 18.162 18.078 -0.000) 25.626 8.682 ( -5.922 -1.767 0.000) 6.180 8.682 ( 5.922 -1.767 -0.000) 6.180 9.217 ( -2.933 2.146 0.000) 3.634 9.217 ( 2.933 2.146 0.000) 3.634 10.649 ( -2.139 -3.643 -0.000) 4.224 10.649 ( 2.139 -3.643 0.000) 4.224 10.876 ( -9.908 -0.849 0.000) 9.944 10.876 ( 9.908 -0.849 0.000) 9.944 11.248 ( -17.644 -10.386 0.000) 20.474 11.248 ( 17.644 -10.386 0.000) 20.474 12.319 ( -5.405 -0.132 0.000) 5.407 12.319 ( 5.405 -0.132 0.000) 5.407 18.094 ( -0.284 -0.351 0.000) 0.452 18.094 ( 0.284 -0.351 0.000) 0.452 20.055 ( -9.035 3.793 0.000) 9.799 20.055 ( 9.035 3.793 0.000) 9.799 20.950 ( -4.234 -1.045 0.000) 4.361 20.950 ( 4.234 -1.045 0.000) 4.361 21.055 ( -4.614 -3.306 -0.000) 5.676 21.055 ( 4.614 -3.306 0.000) 5.676 ======================= Grid point 384 (73/75) ======================= q-point: ( 0.38 0.38 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.851 0.851 0.000) 1.203 2.256 ( -2.767 -2.767 0.000) 3.914 2.314 ( 4.156 4.156 -0.000) 5.877 2.346 ( 3.935 3.935 -0.000) 5.565 2.518 ( 0.895 0.895 -0.000) 1.266 2.650 ( 2.441 2.441 -0.000) 3.452 2.712 ( 0.966 0.966 -0.000) 1.366 2.740 ( -8.521 -8.521 0.000) 12.051 2.894 ( 13.453 13.453 0.000) 19.026 3.036 ( -2.227 -2.227 -0.000) 3.149 3.106 ( -4.505 -4.505 0.000) 6.372 3.310 ( 6.095 6.095 0.000) 8.619 3.427 ( 0.044 0.044 0.000) 0.062 3.986 ( -14.051 -14.051 0.000) 19.870 4.018 ( 11.158 11.158 0.000) 15.780 4.237 ( -0.739 -0.739 -0.000) 1.045 4.255 ( 6.580 6.580 0.000) 9.306 4.405 ( -1.286 -1.286 -0.000) 1.819 4.701 ( 7.283 7.283 -0.000) 10.300 4.811 ( 1.976 1.976 0.000) 2.794 5.035 ( 3.502 3.502 0.000) 4.953 5.076 ( 1.084 1.084 0.000) 1.533 5.490 ( 27.495 27.495 -0.000) 38.884 5.847 ( 3.334 3.334 0.000) 4.715 5.921 ( 5.143 5.143 0.000) 7.273 6.115 ( -8.977 -8.977 0.000) 12.695 6.290 ( -2.120 -2.120 0.000) 2.998 6.312 ( 4.242 4.242 -0.000) 5.999 6.410 ( -14.286 -14.286 0.000) 20.204 6.488 ( -7.367 -7.367 -0.000) 10.419 6.861 ( -9.255 -9.255 0.000) 13.088 7.438 ( -20.570 -20.570 0.000) 29.090 8.475 ( 21.887 21.887 -0.000) 30.954 8.586 ( 2.442 2.442 -0.000) 3.453 8.722 ( -3.004 -3.004 0.000) 4.249 8.851 ( 3.498 3.498 0.000) 4.947 9.206 ( 2.468 2.468 0.000) 3.490 9.278 ( 0.320 0.320 0.000) 0.452 10.604 ( -2.455 -2.455 0.000) 3.472 10.640 ( -4.997 -4.997 0.000) 7.066 10.763 ( 3.543 3.543 -0.000) 5.011 10.918 ( 4.762 4.762 0.000) 6.735 10.984 ( -6.615 -6.615 0.000) 9.354 11.311 ( -14.804 -14.804 0.000) 20.936 12.262 ( 2.563 2.563 0.000) 3.625 12.375 ( -3.028 -3.028 0.000) 4.283 18.088 ( -0.068 -0.068 0.000) 0.096 18.093 ( -0.302 -0.302 0.000) 0.427 20.008 ( 6.371 6.371 0.000) 9.010 20.199 ( -2.741 -2.741 0.000) 3.876 20.899 ( 1.316 1.316 0.000) 1.862 20.961 ( 0.329 0.329 0.000) 0.465 20.982 ( -2.970 -2.970 0.000) 4.200 21.069 ( -4.239 -4.239 -0.000) 5.994 ======================= Grid point 386 (74/75) ======================= q-point: (-0.50 0.38 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -2.005 -1.126 0.000) 2.300 2.210 ( 2.005 -1.126 0.000) 2.300 2.375 ( -1.948 3.260 -0.000) 3.798 2.375 ( 1.948 3.260 -0.000) 3.798 2.568 ( -6.572 0.581 0.000) 6.598 2.568 ( 6.572 0.581 0.000) 6.598 2.721 ( -2.749 -1.492 0.000) 3.127 2.721 ( 2.749 -1.492 0.000) 3.127 3.035 ( -2.369 -4.395 -0.000) 4.993 3.035 ( 2.369 -4.395 -0.000) 4.993 3.152 ( -13.172 14.298 0.000) 19.441 3.152 ( 13.172 14.298 0.000) 19.441 3.677 ( -17.048 -9.452 0.000) 19.494 3.677 ( 17.048 -9.452 0.000) 19.494 4.186 ( -5.857 3.204 0.000) 6.676 4.186 ( 5.857 3.204 0.000) 6.676 4.352 ( -3.963 3.253 0.000) 5.127 4.352 ( 3.963 3.253 0.000) 5.127 4.801 ( -3.022 5.678 -0.000) 6.432 4.801 ( 3.022 5.678 -0.000) 6.432 5.081 ( -1.025 4.565 0.000) 4.679 5.081 ( 1.025 4.565 0.000) 4.679 5.943 ( -6.555 -2.596 -0.000) 7.051 5.943 ( 6.555 -2.596 -0.000) 7.051 6.023 ( -26.967 23.281 -0.000) 35.626 6.023 ( 26.967 23.281 -0.000) 35.626 6.102 ( -11.646 -2.142 0.000) 11.841 6.102 ( 11.646 -2.142 0.000) 11.841 6.368 ( -4.655 -9.583 0.000) 10.653 6.368 ( 4.655 -9.583 0.000) 10.653 7.039 ( -20.229 -23.744 0.000) 31.192 7.039 ( 20.229 -23.744 0.000) 31.192 8.650 ( -4.097 -1.426 -0.000) 4.338 8.650 ( 4.097 -1.426 0.000) 4.338 8.790 ( -10.446 13.531 -0.000) 17.094 8.790 ( 10.446 13.531 -0.000) 17.094 9.257 ( -2.352 1.819 0.000) 2.973 9.257 ( 2.352 1.819 0.000) 2.973 10.585 ( -0.779 -2.711 -0.000) 2.820 10.585 ( 0.779 -2.711 0.000) 2.820 10.849 ( -6.115 -2.060 0.000) 6.453 10.849 ( 6.115 -2.060 0.000) 6.453 11.072 ( -10.474 -7.097 0.000) 12.652 11.072 ( 10.474 -7.097 0.000) 12.652 12.316 ( -3.086 -0.149 0.000) 3.089 12.316 ( 3.086 -0.149 0.000) 3.089 18.088 ( -0.142 -0.217 0.000) 0.259 18.088 ( 0.142 -0.217 0.000) 0.259 20.121 ( -5.346 2.897 0.000) 6.080 20.121 ( 5.346 2.897 0.000) 6.080 20.933 ( -2.223 -0.742 0.000) 2.344 20.933 ( 2.223 -0.742 0.000) 2.344 20.996 ( -3.171 -2.609 -0.000) 4.107 20.996 ( 3.171 -2.609 -0.000) 4.107 ======================= Grid point 412 (75/75) ======================= q-point: (-0.50 -0.50 -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 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.39e-05 3.39e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 -0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.984 ( -0.000 -0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.444 ( -0.000 -0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 -0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.256 ( -0.000 -0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.397 ( -0.000 -0.000 0.000) 0.000 6.397 ( 0.000 0.000 0.000) 0.000 6.663 ( 0.000 0.000 -0.000) 0.000 6.663 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 -0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.820 ( 0.000 0.000 0.000) 0.000 10.820 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 12.315 ( 0.000 0.000 0.000) 0.000 12.315 ( 0.000 0.000 0.000) 0.000 18.086 ( 0.000 0.000 0.000) 0.000 18.086 ( 0.000 0.000 0.000) 0.000 20.150 ( 0.000 0.000 -0.000) 0.000 20.150 ( 0.000 0.000 0.000) 0.000 20.925 ( 0.000 0.000 -0.000) 0.000 20.925 ( 0.000 0.000 0.000) 0.000 20.969 ( 0.000 0.000 0.000) 0.000 20.969 ( 0.000 0.000 0.000) 0.000 =================== 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 3/27648 10.0 1695.666 1695.666 957.239 -0.000 -0.000 0.000 3/27648 20.0 255.630 255.630 211.118 -0.000 -0.000 0.000 3/27648 30.0 83.755 83.755 82.193 -0.000 -0.000 0.000 3/27648 40.0 42.633 42.633 44.092 -0.000 -0.000 0.000 3/27648 50.0 27.125 27.125 28.521 -0.000 -0.000 0.000 3/27648 60.0 19.582 19.582 20.667 -0.000 -0.000 0.000 3/27648 70.0 15.265 15.265 16.102 -0.000 -0.000 0.000 3/27648 80.0 12.508 12.508 13.175 -0.000 -0.000 0.000 3/27648 90.0 10.608 10.608 11.160 -0.000 -0.000 0.000 3/27648 100.0 9.223 9.223 9.700 -0.000 -0.000 0.000 3/27648 110.0 8.170 8.170 8.598 -0.000 -0.000 0.000 3/27648 120.0 7.344 7.344 7.740 -0.000 -0.000 0.000 3/27648 130.0 6.677 6.677 7.056 -0.000 -0.000 0.000 3/27648 140.0 6.128 6.128 6.498 -0.000 -0.000 0.000 3/27648 150.0 5.666 5.666 6.035 -0.000 -0.000 0.000 3/27648 160.0 5.273 5.273 5.645 -0.000 -0.000 0.000 3/27648 170.0 4.934 4.934 5.312 -0.000 -0.000 0.000 3/27648 180.0 4.638 4.638 5.023 -0.000 -0.000 0.000 3/27648 190.0 4.378 4.378 4.771 -0.000 -0.000 0.000 3/27648 200.0 4.146 4.146 4.548 -0.000 -0.000 0.000 3/27648 210.0 3.939 3.939 4.349 -0.000 -0.000 0.000 3/27648 220.0 3.752 3.752 4.171 -0.000 -0.000 0.000 3/27648 230.0 3.583 3.583 4.009 -0.000 -0.000 0.000 3/27648 240.0 3.429 3.429 3.861 -0.000 -0.000 0.000 3/27648 250.0 3.288 3.288 3.725 -0.000 -0.000 0.000 3/27648 260.0 3.159 3.159 3.600 -0.000 -0.000 0.000 3/27648 270.0 3.039 3.039 3.485 -0.000 -0.000 0.000 3/27648 280.0 2.929 2.929 3.377 -0.000 -0.000 0.000 3/27648 290.0 2.827 2.827 3.276 -0.000 -0.000 0.000 3/27648 300.0 2.731 2.731 3.182 -0.000 -0.000 0.000 3/27648 310.0 2.642 2.642 3.093 -0.000 -0.000 0.000 3/27648 320.0 2.559 2.559 3.009 -0.000 -0.000 0.000 3/27648 330.0 2.481 2.481 2.930 -0.000 -0.000 0.000 3/27648 340.0 2.408 2.408 2.855 -0.000 -0.000 0.000 3/27648 350.0 2.338 2.338 2.784 -0.000 -0.000 0.000 3/27648 360.0 2.273 2.273 2.717 -0.000 -0.000 0.000 3/27648 370.0 2.212 2.212 2.653 -0.000 -0.000 0.000 3/27648 380.0 2.153 2.153 2.592 -0.000 -0.000 0.000 3/27648 390.0 2.098 2.098 2.533 -0.000 -0.000 0.000 3/27648 400.0 2.046 2.046 2.477 -0.000 -0.000 0.000 3/27648 410.0 1.996 1.996 2.424 -0.000 -0.000 0.000 3/27648 420.0 1.948 1.948 2.373 -0.000 -0.000 0.000 3/27648 430.0 1.903 1.903 2.323 -0.000 -0.000 0.000 3/27648 440.0 1.860 1.860 2.276 -0.000 -0.000 0.000 3/27648 450.0 1.818 1.818 2.231 -0.000 -0.000 0.000 3/27648 460.0 1.779 1.779 2.187 -0.000 -0.000 0.000 3/27648 470.0 1.741 1.741 2.146 -0.000 -0.000 0.000 3/27648 480.0 1.705 1.705 2.105 -0.000 -0.000 0.000 3/27648 490.0 1.670 1.670 2.066 -0.000 -0.000 0.000 3/27648 500.0 1.637 1.637 2.029 -0.000 -0.000 0.000 3/27648 510.0 1.605 1.605 1.993 -0.000 -0.000 0.000 3/27648 520.0 1.574 1.574 1.958 -0.000 -0.000 0.000 3/27648 530.0 1.544 1.544 1.924 -0.000 -0.000 0.000 3/27648 540.0 1.516 1.516 1.891 -0.000 -0.000 0.000 3/27648 550.0 1.488 1.488 1.860 -0.000 -0.000 0.000 3/27648 560.0 1.462 1.462 1.829 -0.000 -0.000 0.000 3/27648 570.0 1.436 1.436 1.799 -0.000 -0.000 0.000 3/27648 580.0 1.412 1.412 1.771 -0.000 -0.000 0.000 3/27648 590.0 1.388 1.388 1.743 -0.000 -0.000 0.000 3/27648 600.0 1.365 1.365 1.716 -0.000 -0.000 0.000 3/27648 610.0 1.342 1.342 1.690 -0.000 -0.000 0.000 3/27648 620.0 1.321 1.321 1.664 -0.000 -0.000 0.000 3/27648 630.0 1.300 1.300 1.640 -0.000 -0.000 0.000 3/27648 640.0 1.280 1.280 1.616 -0.000 -0.000 0.000 3/27648 650.0 1.260 1.260 1.592 -0.000 -0.000 0.000 3/27648 660.0 1.241 1.241 1.570 -0.000 -0.000 0.000 3/27648 670.0 1.223 1.223 1.548 -0.000 -0.000 0.000 3/27648 680.0 1.205 1.205 1.526 -0.000 -0.000 0.000 3/27648 690.0 1.187 1.187 1.505 -0.000 -0.000 0.000 3/27648 700.0 1.170 1.170 1.485 -0.000 -0.000 0.000 3/27648 710.0 1.154 1.154 1.465 -0.000 -0.000 0.000 3/27648 720.0 1.138 1.138 1.446 -0.000 -0.000 0.000 3/27648 730.0 1.122 1.122 1.427 -0.000 -0.000 0.000 3/27648 740.0 1.107 1.107 1.409 -0.000 -0.000 0.000 3/27648 750.0 1.093 1.093 1.391 -0.000 -0.000 0.000 3/27648 760.0 1.078 1.078 1.374 -0.000 -0.000 0.000 3/27648 770.0 1.064 1.064 1.357 -0.000 -0.000 0.000 3/27648 780.0 1.051 1.051 1.340 -0.000 -0.000 0.000 3/27648 790.0 1.037 1.037 1.324 -0.000 -0.000 0.000 3/27648 800.0 1.025 1.025 1.308 -0.000 -0.000 0.000 3/27648 810.0 1.012 1.012 1.293 -0.000 -0.000 0.000 3/27648 820.0 1.000 1.000 1.278 -0.000 -0.000 0.000 3/27648 830.0 0.988 0.988 1.263 -0.000 -0.000 0.000 3/27648 840.0 0.976 0.976 1.249 -0.000 -0.000 0.000 3/27648 850.0 0.964 0.964 1.234 -0.000 -0.000 0.000 3/27648 860.0 0.953 0.953 1.221 -0.000 -0.000 0.000 3/27648 870.0 0.942 0.942 1.207 -0.000 -0.000 0.000 3/27648 880.0 0.932 0.932 1.194 -0.000 -0.000 0.000 3/27648 890.0 0.921 0.921 1.181 -0.000 -0.000 0.000 3/27648 900.0 0.911 0.911 1.168 -0.000 -0.000 0.000 3/27648 910.0 0.901 0.901 1.156 -0.000 -0.000 0.000 3/27648 920.0 0.891 0.891 1.144 -0.000 -0.000 0.000 3/27648 930.0 0.882 0.882 1.132 -0.000 -0.000 0.000 3/27648 940.0 0.872 0.872 1.120 -0.000 -0.000 0.000 3/27648 950.0 0.863 0.863 1.109 -0.000 -0.000 0.000 3/27648 960.0 0.854 0.854 1.098 -0.000 -0.000 0.000 3/27648 970.0 0.845 0.845 1.087 -0.000 -0.000 0.000 3/27648 980.0 0.837 0.837 1.076 -0.000 -0.000 0.000 3/27648 990.0 0.828 0.828 1.066 -0.000 -0.000 0.000 3/27648 1000.0 0.820 0.820 1.055 -0.000 -0.000 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:33:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|