----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.531577895000000 13.391537165000001 b 3.172327655000000 0.000000000000000 13.391537165000001 c 3.172327655000000 5.531577895000000 0.000000000000000 Atomic positions (fractional): *1 Se 0.10250213171890 0.77607022247148 0.22972062180434 78.960 2 Se 0.47392977752852 0.14749786828110 0.35829297599473 78.960 3 Se 0.02027937819566 0.35829297599473 0.14749786828110 78.960 4 Se 0.35829297599473 0.02027937819566 0.47392977752852 78.960 5 Se 0.89170702400527 0.22972062180434 0.77607022247148 78.960 6 Se 0.22972062180434 0.89170702400527 0.10250213171890 78.960 7 Se 0.77607022247148 0.10250213171890 0.89170702400527 78.960 8 Se 0.14749786828110 0.47392977752852 0.02027937819566 78.960 *9 Rb 0.42567623269818 0.42567623269818 0.57432376730182 85.468 10 Rb 0.67567623269818 0.67567623269818 0.82432376730182 85.468 11 Rb 0.82432376730182 0.82432376730182 0.67567623269818 85.468 12 Rb 0.57432376730182 0.57432376730182 0.42567623269818 85.468 *13 Pd 0.24950857735417 0.24950857735417 0.75049142264583 106.420 14 Pd 0.49950857735417 0.49950857735417 0.00049142264583 106.420 15 Pd 0.00049142264583 0.00049142264583 0.49950857735417 106.420 *16 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 17 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 18 Pd 0.75049142264583 0.75049142264583 0.24950857735417 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.344655310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.063155790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.783074330000002 Atomic positions (fractional): *1 Se 0.50289542213791 0.66611137676162 0.93928617709519 78.960 > 1 2 Se 0.25289542213791 0.91611137676162 0.81071382290481 78.960 > 2 3 Se 0.25289542213791 0.58388862323838 0.68928617709519 78.960 > 3 4 Se 0.24710457786209 0.91611137676162 0.68928617709519 78.960 > 4 5 Se 0.50289542213791 0.83388862323838 0.56071382290481 78.960 > 5 6 Se 0.99710457786209 0.66611137676162 0.56071382290481 78.960 > 6 7 Se 0.99710457786209 0.83388862323838 0.93928617709519 78.960 > 7 8 Se 0.24710457786209 0.58388862323838 0.81071382290481 78.960 > 8 9 Se 0.50289542213791 0.16611137676162 0.43928617709519 78.960 > 1 10 Se 0.25289542213791 0.41611137676162 0.31071382290481 78.960 > 2 11 Se 0.25289542213791 0.08388862323838 0.18928617709519 78.960 > 3 12 Se 0.24710457786209 0.41611137676162 0.18928617709519 78.960 > 4 13 Se 0.50289542213791 0.33388862323838 0.06071382290481 78.960 > 5 14 Se 0.99710457786209 0.16611137676162 0.06071382290481 78.960 > 6 15 Se 0.99710457786209 0.33388862323838 0.43928617709519 78.960 > 7 16 Se 0.24710457786209 0.08388862323838 0.31071382290481 78.960 > 8 17 Se 0.00289542213791 0.66611137676162 0.43928617709519 78.960 > 1 18 Se 0.75289542213791 0.91611137676162 0.31071382290481 78.960 > 2 19 Se 0.75289542213791 0.58388862323838 0.18928617709519 78.960 > 3 20 Se 0.74710457786209 0.91611137676162 0.18928617709519 78.960 > 4 21 Se 0.00289542213791 0.83388862323838 0.06071382290481 78.960 > 5 22 Se 0.49710457786209 0.66611137676162 0.06071382290481 78.960 > 6 23 Se 0.49710457786209 0.83388862323838 0.43928617709519 78.960 > 7 24 Se 0.74710457786209 0.58388862323838 0.31071382290481 78.960 > 8 25 Se 0.00289542213791 0.16611137676162 0.93928617709519 78.960 > 1 26 Se 0.75289542213791 0.41611137676162 0.81071382290481 78.960 > 2 27 Se 0.75289542213791 0.08388862323838 0.68928617709519 78.960 > 3 28 Se 0.74710457786209 0.41611137676162 0.68928617709519 78.960 > 4 29 Se 0.00289542213791 0.33388862323838 0.56071382290481 78.960 > 5 30 Se 0.49710457786209 0.16611137676162 0.56071382290481 78.960 > 6 31 Se 0.49710457786209 0.33388862323838 0.93928617709519 78.960 > 7 32 Se 0.74710457786209 0.08388862323838 0.81071382290481 78.960 > 8 *33 Rb 0.50000000000000 0.00000000000000 0.92567623269818 85.468 > 9 34 Rb 0.75000000000000 0.75000000000000 0.67567623269818 85.468 > 10 35 Rb 0.75000000000000 0.75000000000000 0.82432376730182 85.468 > 11 36 Rb 0.00000000000000 0.00000000000000 0.57432376730182 85.468 > 12 37 Rb 0.50000000000000 0.50000000000000 0.42567623269818 85.468 > 9 38 Rb 0.75000000000000 0.25000000000000 0.17567623269818 85.468 > 10 39 Rb 0.75000000000000 0.25000000000000 0.32432376730182 85.468 > 11 40 Rb 0.00000000000000 0.50000000000000 0.07432376730182 85.468 > 12 41 Rb 0.00000000000000 0.00000000000000 0.42567623269818 85.468 > 9 42 Rb 0.25000000000000 0.75000000000000 0.17567623269818 85.468 > 10 43 Rb 0.25000000000000 0.75000000000000 0.32432376730182 85.468 > 11 44 Rb 0.50000000000000 0.00000000000000 0.07432376730182 85.468 > 12 45 Rb 0.00000000000000 0.50000000000000 0.92567623269818 85.468 > 9 46 Rb 0.25000000000000 0.25000000000000 0.67567623269818 85.468 > 10 47 Rb 0.25000000000000 0.25000000000000 0.82432376730182 85.468 > 11 48 Rb 0.50000000000000 0.50000000000000 0.57432376730182 85.468 > 12 *49 Pd 0.50000000000000 0.00000000000000 0.74950857735417 106.420 > 13 50 Pd 0.25000000000000 0.75000000000000 0.99950857735417 106.420 > 14 51 Pd 0.25000000000000 0.75000000000000 0.50049142264583 106.420 > 15 *52 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 16 53 Pd 0.25000000000000 0.75000000000000 0.75000000000000 106.420 > 17 54 Pd 0.00000000000000 0.00000000000000 0.75049142264583 106.420 > 18 55 Pd 0.50000000000000 0.50000000000000 0.24950857735417 106.420 > 13 56 Pd 0.25000000000000 0.25000000000000 0.49950857735417 106.420 > 14 57 Pd 0.25000000000000 0.25000000000000 0.00049142264583 106.420 > 15 58 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 16 59 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 > 17 60 Pd 0.00000000000000 0.50000000000000 0.25049142264583 106.420 > 18 61 Pd 0.00000000000000 0.00000000000000 0.24950857735417 106.420 > 13 62 Pd 0.75000000000000 0.75000000000000 0.49950857735417 106.420 > 14 63 Pd 0.75000000000000 0.75000000000000 0.00049142264583 106.420 > 15 64 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 16 65 Pd 0.75000000000000 0.75000000000000 0.25000000000000 106.420 > 17 66 Pd 0.50000000000000 0.00000000000000 0.25049142264583 106.420 > 18 67 Pd 0.00000000000000 0.50000000000000 0.74950857735417 106.420 > 13 68 Pd 0.75000000000000 0.25000000000000 0.99950857735417 106.420 > 14 69 Pd 0.75000000000000 0.25000000000000 0.50049142264583 106.420 > 15 70 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 16 71 Pd 0.75000000000000 0.25000000000000 0.75000000000000 106.420 > 17 72 Pd 0.50000000000000 0.50000000000000 0.75049142264583 106.420 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.689310620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.063155790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.783074330000002 Atomic positions (fractional): *1 Se 0.25144771106896 0.66611137676162 0.93928617709519 78.960 > 1 2 Se 0.75144771106896 0.66611137676162 0.93928617709519 78.960 > 1 3 Se 0.12644771106896 0.91611137676162 0.81071382290481 78.960 > 2 4 Se 0.62644771106896 0.91611137676162 0.81071382290481 78.960 > 2 5 Se 0.12644771106896 0.58388862323838 0.68928617709519 78.960 > 3 6 Se 0.62644771106896 0.58388862323838 0.68928617709519 78.960 > 3 7 Se 0.12355228893104 0.91611137676162 0.68928617709519 78.960 > 4 8 Se 0.62355228893104 0.91611137676162 0.68928617709519 78.960 > 4 9 Se 0.25144771106896 0.83388862323838 0.56071382290481 78.960 > 5 10 Se 0.75144771106896 0.83388862323838 0.56071382290481 78.960 > 5 11 Se 0.49855228893104 0.66611137676162 0.56071382290481 78.960 > 6 12 Se 0.99855228893104 0.66611137676162 0.56071382290481 78.960 > 6 13 Se 0.49855228893104 0.83388862323838 0.93928617709519 78.960 > 7 14 Se 0.99855228893104 0.83388862323838 0.93928617709519 78.960 > 7 15 Se 0.12355228893104 0.58388862323838 0.81071382290481 78.960 > 8 16 Se 0.62355228893104 0.58388862323838 0.81071382290481 78.960 > 8 17 Se 0.25144771106896 0.16611137676162 0.43928617709519 78.960 > 1 18 Se 0.75144771106896 0.16611137676162 0.43928617709519 78.960 > 1 19 Se 0.12644771106896 0.41611137676162 0.31071382290481 78.960 > 2 20 Se 0.62644771106896 0.41611137676162 0.31071382290481 78.960 > 2 21 Se 0.12644771106896 0.08388862323838 0.18928617709519 78.960 > 3 22 Se 0.62644771106896 0.08388862323838 0.18928617709519 78.960 > 3 23 Se 0.12355228893104 0.41611137676162 0.18928617709519 78.960 > 4 24 Se 0.62355228893104 0.41611137676162 0.18928617709519 78.960 > 4 25 Se 0.25144771106896 0.33388862323838 0.06071382290481 78.960 > 5 26 Se 0.75144771106896 0.33388862323838 0.06071382290481 78.960 > 5 27 Se 0.49855228893104 0.16611137676162 0.06071382290481 78.960 > 6 28 Se 0.99855228893104 0.16611137676162 0.06071382290481 78.960 > 6 29 Se 0.49855228893104 0.33388862323838 0.43928617709519 78.960 > 7 30 Se 0.99855228893104 0.33388862323838 0.43928617709519 78.960 > 7 31 Se 0.12355228893104 0.08388862323838 0.31071382290481 78.960 > 8 32 Se 0.62355228893104 0.08388862323838 0.31071382290481 78.960 > 8 33 Se 0.00144771106896 0.66611137676162 0.43928617709519 78.960 > 1 34 Se 0.50144771106896 0.66611137676162 0.43928617709519 78.960 > 1 35 Se 0.37644771106896 0.91611137676162 0.31071382290481 78.960 > 2 36 Se 0.87644771106896 0.91611137676162 0.31071382290481 78.960 > 2 37 Se 0.37644771106896 0.58388862323838 0.18928617709519 78.960 > 3 38 Se 0.87644771106896 0.58388862323838 0.18928617709519 78.960 > 3 39 Se 0.37355228893104 0.91611137676162 0.18928617709519 78.960 > 4 40 Se 0.87355228893104 0.91611137676162 0.18928617709519 78.960 > 4 41 Se 0.00144771106896 0.83388862323838 0.06071382290481 78.960 > 5 42 Se 0.50144771106896 0.83388862323838 0.06071382290481 78.960 > 5 43 Se 0.24855228893104 0.66611137676162 0.06071382290481 78.960 > 6 44 Se 0.74855228893104 0.66611137676162 0.06071382290481 78.960 > 6 45 Se 0.24855228893104 0.83388862323838 0.43928617709519 78.960 > 7 46 Se 0.74855228893104 0.83388862323838 0.43928617709519 78.960 > 7 47 Se 0.37355228893104 0.58388862323838 0.31071382290481 78.960 > 8 48 Se 0.87355228893104 0.58388862323838 0.31071382290481 78.960 > 8 49 Se 0.00144771106896 0.16611137676162 0.93928617709519 78.960 > 1 50 Se 0.50144771106896 0.16611137676162 0.93928617709519 78.960 > 1 51 Se 0.37644771106896 0.41611137676162 0.81071382290481 78.960 > 2 52 Se 0.87644771106896 0.41611137676162 0.81071382290481 78.960 > 2 53 Se 0.37644771106896 0.08388862323838 0.68928617709519 78.960 > 3 54 Se 0.87644771106896 0.08388862323838 0.68928617709519 78.960 > 3 55 Se 0.37355228893104 0.41611137676162 0.68928617709519 78.960 > 4 56 Se 0.87355228893104 0.41611137676162 0.68928617709519 78.960 > 4 57 Se 0.00144771106896 0.33388862323838 0.56071382290481 78.960 > 5 58 Se 0.50144771106896 0.33388862323838 0.56071382290481 78.960 > 5 59 Se 0.24855228893104 0.16611137676162 0.56071382290481 78.960 > 6 60 Se 0.74855228893104 0.16611137676162 0.56071382290481 78.960 > 6 61 Se 0.24855228893104 0.33388862323838 0.93928617709519 78.960 > 7 62 Se 0.74855228893104 0.33388862323838 0.93928617709519 78.960 > 7 63 Se 0.37355228893104 0.08388862323838 0.81071382290481 78.960 > 8 64 Se 0.87355228893104 0.08388862323838 0.81071382290481 78.960 > 8 *65 Rb 0.25000000000000 0.00000000000000 0.92567623269818 85.468 > 9 66 Rb 0.75000000000000 0.00000000000000 0.92567623269818 85.468 > 9 67 Rb 0.37500000000000 0.75000000000000 0.67567623269818 85.468 > 10 68 Rb 0.87500000000000 0.75000000000000 0.67567623269818 85.468 > 10 69 Rb 0.37500000000000 0.75000000000000 0.82432376730182 85.468 > 11 70 Rb 0.87500000000000 0.75000000000000 0.82432376730182 85.468 > 11 71 Rb 0.00000000000000 0.00000000000000 0.57432376730182 85.468 > 12 72 Rb 0.50000000000000 0.00000000000000 0.57432376730182 85.468 > 12 73 Rb 0.25000000000000 0.50000000000000 0.42567623269818 85.468 > 9 74 Rb 0.75000000000000 0.50000000000000 0.42567623269818 85.468 > 9 75 Rb 0.37500000000000 0.25000000000000 0.17567623269818 85.468 > 10 76 Rb 0.87500000000000 0.25000000000000 0.17567623269818 85.468 > 10 77 Rb 0.37500000000000 0.25000000000000 0.32432376730182 85.468 > 11 78 Rb 0.87500000000000 0.25000000000000 0.32432376730182 85.468 > 11 79 Rb 0.00000000000000 0.50000000000000 0.07432376730182 85.468 > 12 80 Rb 0.50000000000000 0.50000000000000 0.07432376730182 85.468 > 12 81 Rb 0.00000000000000 0.00000000000000 0.42567623269818 85.468 > 9 82 Rb 0.50000000000000 0.00000000000000 0.42567623269818 85.468 > 9 83 Rb 0.12500000000000 0.75000000000000 0.17567623269818 85.468 > 10 84 Rb 0.62500000000000 0.75000000000000 0.17567623269818 85.468 > 10 85 Rb 0.12500000000000 0.75000000000000 0.32432376730182 85.468 > 11 86 Rb 0.62500000000000 0.75000000000000 0.32432376730182 85.468 > 11 87 Rb 0.25000000000000 0.00000000000000 0.07432376730182 85.468 > 12 88 Rb 0.75000000000000 0.00000000000000 0.07432376730182 85.468 > 12 89 Rb 0.00000000000000 0.50000000000000 0.92567623269818 85.468 > 9 90 Rb 0.50000000000000 0.50000000000000 0.92567623269818 85.468 > 9 91 Rb 0.12500000000000 0.25000000000000 0.67567623269818 85.468 > 10 92 Rb 0.62500000000000 0.25000000000000 0.67567623269818 85.468 > 10 93 Rb 0.12500000000000 0.25000000000000 0.82432376730182 85.468 > 11 94 Rb 0.62500000000000 0.25000000000000 0.82432376730182 85.468 > 11 95 Rb 0.25000000000000 0.50000000000000 0.57432376730182 85.468 > 12 96 Rb 0.75000000000000 0.50000000000000 0.57432376730182 85.468 > 12 *97 Pd 0.25000000000000 0.00000000000000 0.74950857735417 106.420 > 13 98 Pd 0.75000000000000 0.00000000000000 0.74950857735417 106.420 > 13 99 Pd 0.12500000000000 0.75000000000000 0.99950857735417 106.420 > 14 100 Pd 0.62500000000000 0.75000000000000 0.99950857735417 106.420 > 14 101 Pd 0.12500000000000 0.75000000000000 0.50049142264583 106.420 > 15 102 Pd 0.62500000000000 0.75000000000000 0.50049142264583 106.420 > 15 *103 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 16 104 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 16 105 Pd 0.12500000000000 0.75000000000000 0.75000000000000 106.420 > 17 106 Pd 0.62500000000000 0.75000000000000 0.75000000000000 106.420 > 17 107 Pd 0.00000000000000 0.00000000000000 0.75049142264583 106.420 > 18 108 Pd 0.50000000000000 0.00000000000000 0.75049142264583 106.420 > 18 109 Pd 0.25000000000000 0.50000000000000 0.24950857735417 106.420 > 13 110 Pd 0.75000000000000 0.50000000000000 0.24950857735417 106.420 > 13 111 Pd 0.12500000000000 0.25000000000000 0.49950857735417 106.420 > 14 112 Pd 0.62500000000000 0.25000000000000 0.49950857735417 106.420 > 14 113 Pd 0.12500000000000 0.25000000000000 0.00049142264583 106.420 > 15 114 Pd 0.62500000000000 0.25000000000000 0.00049142264583 106.420 > 15 115 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 16 116 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 16 117 Pd 0.12500000000000 0.25000000000000 0.25000000000000 106.420 > 17 118 Pd 0.62500000000000 0.25000000000000 0.25000000000000 106.420 > 17 119 Pd 0.00000000000000 0.50000000000000 0.25049142264583 106.420 > 18 120 Pd 0.50000000000000 0.50000000000000 0.25049142264583 106.420 > 18 121 Pd 0.00000000000000 0.00000000000000 0.24950857735417 106.420 > 13 122 Pd 0.50000000000000 0.00000000000000 0.24950857735417 106.420 > 13 123 Pd 0.37500000000000 0.75000000000000 0.49950857735417 106.420 > 14 124 Pd 0.87500000000000 0.75000000000000 0.49950857735417 106.420 > 14 125 Pd 0.37500000000000 0.75000000000000 0.00049142264583 106.420 > 15 126 Pd 0.87500000000000 0.75000000000000 0.00049142264583 106.420 > 15 127 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 16 128 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 16 129 Pd 0.37500000000000 0.75000000000000 0.25000000000000 106.420 > 17 130 Pd 0.87500000000000 0.75000000000000 0.25000000000000 106.420 > 17 131 Pd 0.25000000000000 0.00000000000000 0.25049142264583 106.420 > 18 132 Pd 0.75000000000000 0.00000000000000 0.25049142264583 106.420 > 18 133 Pd 0.00000000000000 0.50000000000000 0.74950857735417 106.420 > 13 134 Pd 0.50000000000000 0.50000000000000 0.74950857735417 106.420 > 13 135 Pd 0.37500000000000 0.25000000000000 0.99950857735417 106.420 > 14 136 Pd 0.87500000000000 0.25000000000000 0.99950857735417 106.420 > 14 137 Pd 0.37500000000000 0.25000000000000 0.50049142264583 106.420 > 15 138 Pd 0.87500000000000 0.25000000000000 0.50049142264583 106.420 > 15 139 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 16 140 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 16 141 Pd 0.37500000000000 0.25000000000000 0.75000000000000 106.420 > 17 142 Pd 0.87500000000000 0.25000000000000 0.75000000000000 106.420 > 17 143 Pd 0.25000000000000 0.50000000000000 0.75049142264583 106.420 > 18 144 Pd 0.75000000000000 0.50000000000000 0.75049142264583 106.420 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7680003 0.0000000 0.0000000 0.0000000 8.5855987 0.0000000 0.0000000 0.0000000 6.6979696 -------------------------- Born effective charges -------------------------- 1 Se -0.8706027 -0.0073353 0.1716201 -0.0071307 -0.8251100 0.0674834 0.2028341 0.0066139 -1.0744986 2 Se -0.8706027 -0.0073353 -0.1716201 -0.0071307 -0.8251100 -0.0674834 -0.2028341 -0.0066139 -1.0744986 3 Se -0.8706027 0.0073353 0.1716201 0.0071307 -0.8251100 -0.0674834 0.2028341 -0.0066139 -1.0744986 4 Se -0.8706027 0.0073353 -0.1716201 0.0071307 -0.8251100 0.0674834 -0.2028341 0.0066139 -1.0744986 5 Se -0.8706027 0.0073353 -0.1716201 0.0071307 -0.8251100 0.0674834 -0.2028341 0.0066139 -1.0744986 6 Se -0.8706027 0.0073353 0.1716201 0.0071307 -0.8251100 -0.0674834 0.2028341 -0.0066139 -1.0744986 7 Se -0.8706027 -0.0073353 -0.1716201 -0.0071307 -0.8251100 -0.0674834 -0.2028341 -0.0066139 -1.0744986 8 Se -0.8706027 -0.0073353 0.1716201 -0.0071307 -0.8251100 0.0674834 0.2028341 0.0066139 -1.0744986 9 Rb 1.5646653 0.0851728 0.0000000 0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 10 Rb 1.5646653 -0.0851728 0.0000000 -0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 11 Rb 1.5646653 0.0851728 0.0000000 0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 12 Rb 1.5646653 -0.0851728 0.0000000 -0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 13 Pd 0.4499742 0.5021232 0.0000000 0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 14 Pd 0.4499742 -0.5021232 0.0000000 -0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 15 Pd 0.4499742 0.5021232 0.0000000 0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 16 Pd -0.5468679 0.0000000 0.0000000 0.0000000 0.7198802 0.0000000 0.0000000 0.0000000 0.5659406 17 Pd -0.5468679 0.0000000 0.0000000 0.0000000 0.7198802 0.0000000 0.0000000 0.0000000 0.5659406 18 Pd 0.4499742 -0.5021232 0.0000000 -0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 ---------------------------------------------------------------------------- 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: 14850/14850 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 320 - Time: 2.865 Solver_block: 200 / 320 - Time: 2.878 Solver_block: 300 / 320 - Time: 2.880 Solver_block: 320 / 320 - Time: 0.666 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.327 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 14850/14850 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1580 Number of blocks in projector: 1580 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 300 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 212 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 212 Use standard eigh solver. Tree of FC basis block matrices: - (1580, 1558), data: False |-- (212, 208), data: True |-- (212, 208), data: True |-- (212, 208), data: True |-- (298, 296), data: True |-- (300, 298), data: True |-- (346, 340), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:30:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:30:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.531577895000000 13.391537165000001 b 3.172327655000000 0.000000000000000 13.391537165000001 c 3.172327655000000 5.531577895000000 0.000000000000000 Atomic positions (fractional): 1 Se 0.10250213171890 0.77607022247148 0.22972062180434 78.960 2 Se 0.47392977752852 0.14749786828110 0.35829297599473 78.960 3 Se 0.02027937819566 0.35829297599473 0.14749786828110 78.960 4 Se 0.35829297599473 0.02027937819566 0.47392977752852 78.960 5 Se 0.89170702400527 0.22972062180434 0.77607022247148 78.960 6 Se 0.22972062180434 0.89170702400527 0.10250213171890 78.960 7 Se 0.77607022247148 0.10250213171890 0.89170702400527 78.960 8 Se 0.14749786828110 0.47392977752852 0.02027937819566 78.960 9 Rb 0.42567623269818 0.42567623269818 0.57432376730182 85.468 10 Rb 0.67567623269818 0.67567623269818 0.82432376730182 85.468 11 Rb 0.82432376730182 0.82432376730182 0.67567623269818 85.468 12 Rb 0.57432376730182 0.57432376730182 0.42567623269818 85.468 13 Pd 0.24950857735417 0.24950857735417 0.75049142264583 106.420 14 Pd 0.49950857735417 0.49950857735417 0.00049142264583 106.420 15 Pd 0.00049142264583 0.00049142264583 0.49950857735417 106.420 16 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 17 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 18 Pd 0.75049142264583 0.75049142264583 0.24950857735417 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.689310620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.063155790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.783074330000002 Atomic positions (fractional): 1 Se 0.25144771106896 0.66611137676162 0.93928617709519 78.960 > 1 2 Se 0.75144771106896 0.66611137676162 0.93928617709519 78.960 > 1 3 Se 0.12644771106896 0.91611137676162 0.81071382290481 78.960 > 3 4 Se 0.62644771106896 0.91611137676162 0.81071382290481 78.960 > 3 5 Se 0.12644771106896 0.58388862323838 0.68928617709519 78.960 > 5 6 Se 0.62644771106896 0.58388862323838 0.68928617709519 78.960 > 5 7 Se 0.12355228893104 0.91611137676162 0.68928617709519 78.960 > 7 8 Se 0.62355228893104 0.91611137676162 0.68928617709519 78.960 > 7 9 Se 0.25144771106896 0.83388862323838 0.56071382290481 78.960 > 9 10 Se 0.75144771106896 0.83388862323838 0.56071382290481 78.960 > 9 11 Se 0.49855228893104 0.66611137676162 0.56071382290481 78.960 > 11 12 Se 0.99855228893104 0.66611137676162 0.56071382290481 78.960 > 11 13 Se 0.49855228893104 0.83388862323838 0.93928617709519 78.960 > 13 14 Se 0.99855228893104 0.83388862323838 0.93928617709519 78.960 > 13 15 Se 0.12355228893104 0.58388862323838 0.81071382290481 78.960 > 15 16 Se 0.62355228893104 0.58388862323838 0.81071382290481 78.960 > 15 17 Se 0.25144771106896 0.16611137676162 0.43928617709519 78.960 > 1 18 Se 0.75144771106896 0.16611137676162 0.43928617709519 78.960 > 1 19 Se 0.12644771106896 0.41611137676162 0.31071382290481 78.960 > 3 20 Se 0.62644771106896 0.41611137676162 0.31071382290481 78.960 > 3 21 Se 0.12644771106896 0.08388862323838 0.18928617709519 78.960 > 5 22 Se 0.62644771106896 0.08388862323838 0.18928617709519 78.960 > 5 23 Se 0.12355228893104 0.41611137676162 0.18928617709519 78.960 > 7 24 Se 0.62355228893104 0.41611137676162 0.18928617709519 78.960 > 7 25 Se 0.25144771106896 0.33388862323838 0.06071382290481 78.960 > 9 26 Se 0.75144771106896 0.33388862323838 0.06071382290481 78.960 > 9 27 Se 0.49855228893104 0.16611137676162 0.06071382290481 78.960 > 11 28 Se 0.99855228893104 0.16611137676162 0.06071382290481 78.960 > 11 29 Se 0.49855228893104 0.33388862323838 0.43928617709519 78.960 > 13 30 Se 0.99855228893104 0.33388862323838 0.43928617709519 78.960 > 13 31 Se 0.12355228893104 0.08388862323838 0.31071382290481 78.960 > 15 32 Se 0.62355228893104 0.08388862323838 0.31071382290481 78.960 > 15 33 Se 0.00144771106896 0.66611137676162 0.43928617709519 78.960 > 1 34 Se 0.50144771106896 0.66611137676162 0.43928617709519 78.960 > 1 35 Se 0.37644771106896 0.91611137676162 0.31071382290481 78.960 > 3 36 Se 0.87644771106896 0.91611137676162 0.31071382290481 78.960 > 3 37 Se 0.37644771106896 0.58388862323838 0.18928617709519 78.960 > 5 38 Se 0.87644771106896 0.58388862323838 0.18928617709519 78.960 > 5 39 Se 0.37355228893104 0.91611137676162 0.18928617709519 78.960 > 7 40 Se 0.87355228893104 0.91611137676162 0.18928617709519 78.960 > 7 41 Se 0.00144771106896 0.83388862323838 0.06071382290481 78.960 > 9 42 Se 0.50144771106896 0.83388862323838 0.06071382290481 78.960 > 9 43 Se 0.24855228893104 0.66611137676162 0.06071382290481 78.960 > 11 44 Se 0.74855228893104 0.66611137676162 0.06071382290481 78.960 > 11 45 Se 0.24855228893104 0.83388862323838 0.43928617709519 78.960 > 13 46 Se 0.74855228893104 0.83388862323838 0.43928617709519 78.960 > 13 47 Se 0.37355228893104 0.58388862323838 0.31071382290481 78.960 > 15 48 Se 0.87355228893104 0.58388862323838 0.31071382290481 78.960 > 15 49 Se 0.00144771106896 0.16611137676162 0.93928617709519 78.960 > 1 50 Se 0.50144771106896 0.16611137676162 0.93928617709519 78.960 > 1 51 Se 0.37644771106896 0.41611137676162 0.81071382290481 78.960 > 3 52 Se 0.87644771106896 0.41611137676162 0.81071382290481 78.960 > 3 53 Se 0.37644771106896 0.08388862323838 0.68928617709519 78.960 > 5 54 Se 0.87644771106896 0.08388862323838 0.68928617709519 78.960 > 5 55 Se 0.37355228893104 0.41611137676162 0.68928617709519 78.960 > 7 56 Se 0.87355228893104 0.41611137676162 0.68928617709519 78.960 > 7 57 Se 0.00144771106896 0.33388862323838 0.56071382290481 78.960 > 9 58 Se 0.50144771106896 0.33388862323838 0.56071382290481 78.960 > 9 59 Se 0.24855228893104 0.16611137676162 0.56071382290481 78.960 > 11 60 Se 0.74855228893104 0.16611137676162 0.56071382290481 78.960 > 11 61 Se 0.24855228893104 0.33388862323838 0.93928617709519 78.960 > 13 62 Se 0.74855228893104 0.33388862323838 0.93928617709519 78.960 > 13 63 Se 0.37355228893104 0.08388862323838 0.81071382290481 78.960 > 15 64 Se 0.87355228893104 0.08388862323838 0.81071382290481 78.960 > 15 65 Rb 0.25000000000000 0.00000000000000 0.92567623269818 85.468 > 65 66 Rb 0.75000000000000 0.00000000000000 0.92567623269818 85.468 > 65 67 Rb 0.37500000000000 0.75000000000000 0.67567623269818 85.468 > 67 68 Rb 0.87500000000000 0.75000000000000 0.67567623269818 85.468 > 67 69 Rb 0.37500000000000 0.75000000000000 0.82432376730182 85.468 > 69 70 Rb 0.87500000000000 0.75000000000000 0.82432376730182 85.468 > 69 71 Rb 0.00000000000000 0.00000000000000 0.57432376730182 85.468 > 71 72 Rb 0.50000000000000 0.00000000000000 0.57432376730182 85.468 > 71 73 Rb 0.25000000000000 0.50000000000000 0.42567623269818 85.468 > 65 74 Rb 0.75000000000000 0.50000000000000 0.42567623269818 85.468 > 65 75 Rb 0.37500000000000 0.25000000000000 0.17567623269818 85.468 > 67 76 Rb 0.87500000000000 0.25000000000000 0.17567623269818 85.468 > 67 77 Rb 0.37500000000000 0.25000000000000 0.32432376730182 85.468 > 69 78 Rb 0.87500000000000 0.25000000000000 0.32432376730182 85.468 > 69 79 Rb 0.00000000000000 0.50000000000000 0.07432376730182 85.468 > 71 80 Rb 0.50000000000000 0.50000000000000 0.07432376730182 85.468 > 71 81 Rb 0.00000000000000 0.00000000000000 0.42567623269818 85.468 > 65 82 Rb 0.50000000000000 0.00000000000000 0.42567623269818 85.468 > 65 83 Rb 0.12500000000000 0.75000000000000 0.17567623269818 85.468 > 67 84 Rb 0.62500000000000 0.75000000000000 0.17567623269818 85.468 > 67 85 Rb 0.12500000000000 0.75000000000000 0.32432376730182 85.468 > 69 86 Rb 0.62500000000000 0.75000000000000 0.32432376730182 85.468 > 69 87 Rb 0.25000000000000 0.00000000000000 0.07432376730182 85.468 > 71 88 Rb 0.75000000000000 0.00000000000000 0.07432376730182 85.468 > 71 89 Rb 0.00000000000000 0.50000000000000 0.92567623269818 85.468 > 65 90 Rb 0.50000000000000 0.50000000000000 0.92567623269818 85.468 > 65 91 Rb 0.12500000000000 0.25000000000000 0.67567623269818 85.468 > 67 92 Rb 0.62500000000000 0.25000000000000 0.67567623269818 85.468 > 67 93 Rb 0.12500000000000 0.25000000000000 0.82432376730182 85.468 > 69 94 Rb 0.62500000000000 0.25000000000000 0.82432376730182 85.468 > 69 95 Rb 0.25000000000000 0.50000000000000 0.57432376730182 85.468 > 71 96 Rb 0.75000000000000 0.50000000000000 0.57432376730182 85.468 > 71 97 Pd 0.25000000000000 0.00000000000000 0.74950857735417 106.420 > 97 98 Pd 0.75000000000000 0.00000000000000 0.74950857735417 106.420 > 97 99 Pd 0.12500000000000 0.75000000000000 0.99950857735417 106.420 > 99 100 Pd 0.62500000000000 0.75000000000000 0.99950857735417 106.420 > 99 101 Pd 0.12500000000000 0.75000000000000 0.50049142264583 106.420 > 101 102 Pd 0.62500000000000 0.75000000000000 0.50049142264583 106.420 > 101 103 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 103 104 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 103 105 Pd 0.12500000000000 0.75000000000000 0.75000000000000 106.420 > 105 106 Pd 0.62500000000000 0.75000000000000 0.75000000000000 106.420 > 105 107 Pd 0.00000000000000 0.00000000000000 0.75049142264583 106.420 > 107 108 Pd 0.50000000000000 0.00000000000000 0.75049142264583 106.420 > 107 109 Pd 0.25000000000000 0.50000000000000 0.24950857735417 106.420 > 97 110 Pd 0.75000000000000 0.50000000000000 0.24950857735417 106.420 > 97 111 Pd 0.12500000000000 0.25000000000000 0.49950857735417 106.420 > 99 112 Pd 0.62500000000000 0.25000000000000 0.49950857735417 106.420 > 99 113 Pd 0.12500000000000 0.25000000000000 0.00049142264583 106.420 > 101 114 Pd 0.62500000000000 0.25000000000000 0.00049142264583 106.420 > 101 115 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 103 116 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 103 117 Pd 0.12500000000000 0.25000000000000 0.25000000000000 106.420 > 105 118 Pd 0.62500000000000 0.25000000000000 0.25000000000000 106.420 > 105 119 Pd 0.00000000000000 0.50000000000000 0.25049142264583 106.420 > 107 120 Pd 0.50000000000000 0.50000000000000 0.25049142264583 106.420 > 107 121 Pd 0.00000000000000 0.00000000000000 0.24950857735417 106.420 > 97 122 Pd 0.50000000000000 0.00000000000000 0.24950857735417 106.420 > 97 123 Pd 0.37500000000000 0.75000000000000 0.49950857735417 106.420 > 99 124 Pd 0.87500000000000 0.75000000000000 0.49950857735417 106.420 > 99 125 Pd 0.37500000000000 0.75000000000000 0.00049142264583 106.420 > 101 126 Pd 0.87500000000000 0.75000000000000 0.00049142264583 106.420 > 101 127 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 103 128 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 103 129 Pd 0.37500000000000 0.75000000000000 0.25000000000000 106.420 > 105 130 Pd 0.87500000000000 0.75000000000000 0.25000000000000 106.420 > 105 131 Pd 0.25000000000000 0.00000000000000 0.25049142264583 106.420 > 107 132 Pd 0.75000000000000 0.00000000000000 0.25049142264583 106.420 > 107 133 Pd 0.00000000000000 0.50000000000000 0.74950857735417 106.420 > 97 134 Pd 0.50000000000000 0.50000000000000 0.74950857735417 106.420 > 97 135 Pd 0.37500000000000 0.25000000000000 0.99950857735417 106.420 > 99 136 Pd 0.87500000000000 0.25000000000000 0.99950857735417 106.420 > 99 137 Pd 0.37500000000000 0.25000000000000 0.50049142264583 106.420 > 101 138 Pd 0.87500000000000 0.25000000000000 0.50049142264583 106.420 > 101 139 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 103 140 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 103 141 Pd 0.37500000000000 0.25000000000000 0.75000000000000 106.420 > 105 142 Pd 0.87500000000000 0.25000000000000 0.75000000000000 106.420 > 105 143 Pd 0.25000000000000 0.50000000000000 0.75049142264583 106.420 > 107 144 Pd 0.75000000000000 0.50000000000000 0.75049142264583 106.420 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.7680003 0.0000000 0.0000000 0.0000000 8.5855987 0.0000000 0.0000000 0.0000000 6.6979696 -------------------------- Born effective charges -------------------------- 1 Se -0.8706027 -0.0073353 0.1716201 -0.0071307 -0.8251100 0.0674834 0.2028341 0.0066139 -1.0744986 2 Se -0.8706027 -0.0073353 -0.1716201 -0.0071307 -0.8251100 -0.0674834 -0.2028341 -0.0066139 -1.0744986 3 Se -0.8706027 0.0073353 0.1716201 0.0071307 -0.8251100 -0.0674834 0.2028341 -0.0066139 -1.0744986 4 Se -0.8706027 0.0073353 -0.1716201 0.0071307 -0.8251100 0.0674834 -0.2028341 0.0066139 -1.0744986 5 Se -0.8706027 0.0073353 -0.1716201 0.0071307 -0.8251100 0.0674834 -0.2028341 0.0066139 -1.0744986 6 Se -0.8706027 0.0073353 0.1716201 0.0071307 -0.8251100 -0.0674834 0.2028341 -0.0066139 -1.0744986 7 Se -0.8706027 -0.0073353 -0.1716201 -0.0071307 -0.8251100 -0.0674834 -0.2028341 -0.0066139 -1.0744986 8 Se -0.8706027 -0.0073353 0.1716201 -0.0071307 -0.8251100 0.0674834 0.2028341 0.0066139 -1.0744986 9 Rb 1.5646653 0.0851728 0.0000000 0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 10 Rb 1.5646653 -0.0851728 0.0000000 -0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 11 Rb 1.5646653 0.0851728 0.0000000 0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 12 Rb 1.5646653 -0.0851728 0.0000000 -0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 13 Pd 0.4499742 0.5021232 0.0000000 0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 14 Pd 0.4499742 -0.5021232 0.0000000 -0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 15 Pd 0.4499742 0.5021232 0.0000000 0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 16 Pd -0.5468679 0.0000000 0.0000000 0.0000000 0.7198802 0.0000000 0.0000000 0.0000000 0.5659406 17 Pd -0.5468679 0.0000000 0.0000000 0.0000000 0.7198802 0.0000000 0.0000000 0.0000000 0.5659406 18 Pd 0.4499742 -0.5021232 0.0000000 -0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 103, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:31:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:31:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.531577895000000 13.391537165000001 b 3.172327655000000 0.000000000000000 13.391537165000001 c 3.172327655000000 5.531577895000000 0.000000000000000 Atomic positions (fractional): 1 Se 0.10250213171890 0.77607022247148 0.22972062180434 78.960 2 Se 0.47392977752852 0.14749786828110 0.35829297599473 78.960 3 Se 0.02027937819566 0.35829297599473 0.14749786828110 78.960 4 Se 0.35829297599473 0.02027937819566 0.47392977752852 78.960 5 Se 0.89170702400527 0.22972062180434 0.77607022247148 78.960 6 Se 0.22972062180434 0.89170702400527 0.10250213171890 78.960 7 Se 0.77607022247148 0.10250213171890 0.89170702400527 78.960 8 Se 0.14749786828110 0.47392977752852 0.02027937819566 78.960 9 Rb 0.42567623269818 0.42567623269818 0.57432376730182 85.468 10 Rb 0.67567623269818 0.67567623269818 0.82432376730182 85.468 11 Rb 0.82432376730182 0.82432376730182 0.67567623269818 85.468 12 Rb 0.57432376730182 0.57432376730182 0.42567623269818 85.468 13 Pd 0.24950857735417 0.24950857735417 0.75049142264583 106.420 14 Pd 0.49950857735417 0.49950857735417 0.00049142264583 106.420 15 Pd 0.00049142264583 0.00049142264583 0.49950857735417 106.420 16 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 17 Pd 0.25000000000000 0.25000000000000 0.25000000000000 106.420 18 Pd 0.75049142264583 0.75049142264583 0.24950857735417 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.689310620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.063155790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.783074330000002 Atomic positions (fractional): 1 Se 0.25144771106896 0.66611137676162 0.93928617709519 78.960 > 1 2 Se 0.75144771106896 0.66611137676162 0.93928617709519 78.960 > 1 3 Se 0.12644771106896 0.91611137676162 0.81071382290481 78.960 > 3 4 Se 0.62644771106896 0.91611137676162 0.81071382290481 78.960 > 3 5 Se 0.12644771106896 0.58388862323838 0.68928617709519 78.960 > 5 6 Se 0.62644771106896 0.58388862323838 0.68928617709519 78.960 > 5 7 Se 0.12355228893104 0.91611137676162 0.68928617709519 78.960 > 7 8 Se 0.62355228893104 0.91611137676162 0.68928617709519 78.960 > 7 9 Se 0.25144771106896 0.83388862323838 0.56071382290481 78.960 > 9 10 Se 0.75144771106896 0.83388862323838 0.56071382290481 78.960 > 9 11 Se 0.49855228893104 0.66611137676162 0.56071382290481 78.960 > 11 12 Se 0.99855228893104 0.66611137676162 0.56071382290481 78.960 > 11 13 Se 0.49855228893104 0.83388862323838 0.93928617709519 78.960 > 13 14 Se 0.99855228893104 0.83388862323838 0.93928617709519 78.960 > 13 15 Se 0.12355228893104 0.58388862323838 0.81071382290481 78.960 > 15 16 Se 0.62355228893104 0.58388862323838 0.81071382290481 78.960 > 15 17 Se 0.25144771106896 0.16611137676162 0.43928617709519 78.960 > 1 18 Se 0.75144771106896 0.16611137676162 0.43928617709519 78.960 > 1 19 Se 0.12644771106896 0.41611137676162 0.31071382290481 78.960 > 3 20 Se 0.62644771106896 0.41611137676162 0.31071382290481 78.960 > 3 21 Se 0.12644771106896 0.08388862323838 0.18928617709519 78.960 > 5 22 Se 0.62644771106896 0.08388862323838 0.18928617709519 78.960 > 5 23 Se 0.12355228893104 0.41611137676162 0.18928617709519 78.960 > 7 24 Se 0.62355228893104 0.41611137676162 0.18928617709519 78.960 > 7 25 Se 0.25144771106896 0.33388862323838 0.06071382290481 78.960 > 9 26 Se 0.75144771106896 0.33388862323838 0.06071382290481 78.960 > 9 27 Se 0.49855228893104 0.16611137676162 0.06071382290481 78.960 > 11 28 Se 0.99855228893104 0.16611137676162 0.06071382290481 78.960 > 11 29 Se 0.49855228893104 0.33388862323838 0.43928617709519 78.960 > 13 30 Se 0.99855228893104 0.33388862323838 0.43928617709519 78.960 > 13 31 Se 0.12355228893104 0.08388862323838 0.31071382290481 78.960 > 15 32 Se 0.62355228893104 0.08388862323838 0.31071382290481 78.960 > 15 33 Se 0.00144771106896 0.66611137676162 0.43928617709519 78.960 > 1 34 Se 0.50144771106896 0.66611137676162 0.43928617709519 78.960 > 1 35 Se 0.37644771106896 0.91611137676162 0.31071382290481 78.960 > 3 36 Se 0.87644771106896 0.91611137676162 0.31071382290481 78.960 > 3 37 Se 0.37644771106896 0.58388862323838 0.18928617709519 78.960 > 5 38 Se 0.87644771106896 0.58388862323838 0.18928617709519 78.960 > 5 39 Se 0.37355228893104 0.91611137676162 0.18928617709519 78.960 > 7 40 Se 0.87355228893104 0.91611137676162 0.18928617709519 78.960 > 7 41 Se 0.00144771106896 0.83388862323838 0.06071382290481 78.960 > 9 42 Se 0.50144771106896 0.83388862323838 0.06071382290481 78.960 > 9 43 Se 0.24855228893104 0.66611137676162 0.06071382290481 78.960 > 11 44 Se 0.74855228893104 0.66611137676162 0.06071382290481 78.960 > 11 45 Se 0.24855228893104 0.83388862323838 0.43928617709519 78.960 > 13 46 Se 0.74855228893104 0.83388862323838 0.43928617709519 78.960 > 13 47 Se 0.37355228893104 0.58388862323838 0.31071382290481 78.960 > 15 48 Se 0.87355228893104 0.58388862323838 0.31071382290481 78.960 > 15 49 Se 0.00144771106896 0.16611137676162 0.93928617709519 78.960 > 1 50 Se 0.50144771106896 0.16611137676162 0.93928617709519 78.960 > 1 51 Se 0.37644771106896 0.41611137676162 0.81071382290481 78.960 > 3 52 Se 0.87644771106896 0.41611137676162 0.81071382290481 78.960 > 3 53 Se 0.37644771106896 0.08388862323838 0.68928617709519 78.960 > 5 54 Se 0.87644771106896 0.08388862323838 0.68928617709519 78.960 > 5 55 Se 0.37355228893104 0.41611137676162 0.68928617709519 78.960 > 7 56 Se 0.87355228893104 0.41611137676162 0.68928617709519 78.960 > 7 57 Se 0.00144771106896 0.33388862323838 0.56071382290481 78.960 > 9 58 Se 0.50144771106896 0.33388862323838 0.56071382290481 78.960 > 9 59 Se 0.24855228893104 0.16611137676162 0.56071382290481 78.960 > 11 60 Se 0.74855228893104 0.16611137676162 0.56071382290481 78.960 > 11 61 Se 0.24855228893104 0.33388862323838 0.93928617709519 78.960 > 13 62 Se 0.74855228893104 0.33388862323838 0.93928617709519 78.960 > 13 63 Se 0.37355228893104 0.08388862323838 0.81071382290481 78.960 > 15 64 Se 0.87355228893104 0.08388862323838 0.81071382290481 78.960 > 15 65 Rb 0.25000000000000 0.00000000000000 0.92567623269818 85.468 > 65 66 Rb 0.75000000000000 0.00000000000000 0.92567623269818 85.468 > 65 67 Rb 0.37500000000000 0.75000000000000 0.67567623269818 85.468 > 67 68 Rb 0.87500000000000 0.75000000000000 0.67567623269818 85.468 > 67 69 Rb 0.37500000000000 0.75000000000000 0.82432376730182 85.468 > 69 70 Rb 0.87500000000000 0.75000000000000 0.82432376730182 85.468 > 69 71 Rb 0.00000000000000 0.00000000000000 0.57432376730182 85.468 > 71 72 Rb 0.50000000000000 0.00000000000000 0.57432376730182 85.468 > 71 73 Rb 0.25000000000000 0.50000000000000 0.42567623269818 85.468 > 65 74 Rb 0.75000000000000 0.50000000000000 0.42567623269818 85.468 > 65 75 Rb 0.37500000000000 0.25000000000000 0.17567623269818 85.468 > 67 76 Rb 0.87500000000000 0.25000000000000 0.17567623269818 85.468 > 67 77 Rb 0.37500000000000 0.25000000000000 0.32432376730182 85.468 > 69 78 Rb 0.87500000000000 0.25000000000000 0.32432376730182 85.468 > 69 79 Rb 0.00000000000000 0.50000000000000 0.07432376730182 85.468 > 71 80 Rb 0.50000000000000 0.50000000000000 0.07432376730182 85.468 > 71 81 Rb 0.00000000000000 0.00000000000000 0.42567623269818 85.468 > 65 82 Rb 0.50000000000000 0.00000000000000 0.42567623269818 85.468 > 65 83 Rb 0.12500000000000 0.75000000000000 0.17567623269818 85.468 > 67 84 Rb 0.62500000000000 0.75000000000000 0.17567623269818 85.468 > 67 85 Rb 0.12500000000000 0.75000000000000 0.32432376730182 85.468 > 69 86 Rb 0.62500000000000 0.75000000000000 0.32432376730182 85.468 > 69 87 Rb 0.25000000000000 0.00000000000000 0.07432376730182 85.468 > 71 88 Rb 0.75000000000000 0.00000000000000 0.07432376730182 85.468 > 71 89 Rb 0.00000000000000 0.50000000000000 0.92567623269818 85.468 > 65 90 Rb 0.50000000000000 0.50000000000000 0.92567623269818 85.468 > 65 91 Rb 0.12500000000000 0.25000000000000 0.67567623269818 85.468 > 67 92 Rb 0.62500000000000 0.25000000000000 0.67567623269818 85.468 > 67 93 Rb 0.12500000000000 0.25000000000000 0.82432376730182 85.468 > 69 94 Rb 0.62500000000000 0.25000000000000 0.82432376730182 85.468 > 69 95 Rb 0.25000000000000 0.50000000000000 0.57432376730182 85.468 > 71 96 Rb 0.75000000000000 0.50000000000000 0.57432376730182 85.468 > 71 97 Pd 0.25000000000000 0.00000000000000 0.74950857735417 106.420 > 97 98 Pd 0.75000000000000 0.00000000000000 0.74950857735417 106.420 > 97 99 Pd 0.12500000000000 0.75000000000000 0.99950857735417 106.420 > 99 100 Pd 0.62500000000000 0.75000000000000 0.99950857735417 106.420 > 99 101 Pd 0.12500000000000 0.75000000000000 0.50049142264583 106.420 > 101 102 Pd 0.62500000000000 0.75000000000000 0.50049142264583 106.420 > 101 103 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 103 104 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 103 105 Pd 0.12500000000000 0.75000000000000 0.75000000000000 106.420 > 105 106 Pd 0.62500000000000 0.75000000000000 0.75000000000000 106.420 > 105 107 Pd 0.00000000000000 0.00000000000000 0.75049142264583 106.420 > 107 108 Pd 0.50000000000000 0.00000000000000 0.75049142264583 106.420 > 107 109 Pd 0.25000000000000 0.50000000000000 0.24950857735417 106.420 > 97 110 Pd 0.75000000000000 0.50000000000000 0.24950857735417 106.420 > 97 111 Pd 0.12500000000000 0.25000000000000 0.49950857735417 106.420 > 99 112 Pd 0.62500000000000 0.25000000000000 0.49950857735417 106.420 > 99 113 Pd 0.12500000000000 0.25000000000000 0.00049142264583 106.420 > 101 114 Pd 0.62500000000000 0.25000000000000 0.00049142264583 106.420 > 101 115 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 103 116 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 103 117 Pd 0.12500000000000 0.25000000000000 0.25000000000000 106.420 > 105 118 Pd 0.62500000000000 0.25000000000000 0.25000000000000 106.420 > 105 119 Pd 0.00000000000000 0.50000000000000 0.25049142264583 106.420 > 107 120 Pd 0.50000000000000 0.50000000000000 0.25049142264583 106.420 > 107 121 Pd 0.00000000000000 0.00000000000000 0.24950857735417 106.420 > 97 122 Pd 0.50000000000000 0.00000000000000 0.24950857735417 106.420 > 97 123 Pd 0.37500000000000 0.75000000000000 0.49950857735417 106.420 > 99 124 Pd 0.87500000000000 0.75000000000000 0.49950857735417 106.420 > 99 125 Pd 0.37500000000000 0.75000000000000 0.00049142264583 106.420 > 101 126 Pd 0.87500000000000 0.75000000000000 0.00049142264583 106.420 > 101 127 Pd 0.25000000000000 0.00000000000000 0.50000000000000 106.420 > 103 128 Pd 0.75000000000000 0.00000000000000 0.50000000000000 106.420 > 103 129 Pd 0.37500000000000 0.75000000000000 0.25000000000000 106.420 > 105 130 Pd 0.87500000000000 0.75000000000000 0.25000000000000 106.420 > 105 131 Pd 0.25000000000000 0.00000000000000 0.25049142264583 106.420 > 107 132 Pd 0.75000000000000 0.00000000000000 0.25049142264583 106.420 > 107 133 Pd 0.00000000000000 0.50000000000000 0.74950857735417 106.420 > 97 134 Pd 0.50000000000000 0.50000000000000 0.74950857735417 106.420 > 97 135 Pd 0.37500000000000 0.25000000000000 0.99950857735417 106.420 > 99 136 Pd 0.87500000000000 0.25000000000000 0.99950857735417 106.420 > 99 137 Pd 0.37500000000000 0.25000000000000 0.50049142264583 106.420 > 101 138 Pd 0.87500000000000 0.25000000000000 0.50049142264583 106.420 > 101 139 Pd 0.25000000000000 0.50000000000000 0.00000000000000 106.420 > 103 140 Pd 0.75000000000000 0.50000000000000 0.00000000000000 106.420 > 103 141 Pd 0.37500000000000 0.25000000000000 0.75000000000000 106.420 > 105 142 Pd 0.87500000000000 0.25000000000000 0.75000000000000 106.420 > 105 143 Pd 0.25000000000000 0.50000000000000 0.75049142264583 106.420 > 107 144 Pd 0.75000000000000 0.50000000000000 0.75049142264583 106.420 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.7680003 0.0000000 0.0000000 0.0000000 8.5855987 0.0000000 0.0000000 0.0000000 6.6979696 -------------------------- Born effective charges -------------------------- 1 Se -0.8706027 -0.0073353 0.1716201 -0.0071307 -0.8251100 0.0674834 0.2028341 0.0066139 -1.0744986 2 Se -0.8706027 -0.0073353 -0.1716201 -0.0071307 -0.8251100 -0.0674834 -0.2028341 -0.0066139 -1.0744986 3 Se -0.8706027 0.0073353 0.1716201 0.0071307 -0.8251100 -0.0674834 0.2028341 -0.0066139 -1.0744986 4 Se -0.8706027 0.0073353 -0.1716201 0.0071307 -0.8251100 0.0674834 -0.2028341 0.0066139 -1.0744986 5 Se -0.8706027 0.0073353 -0.1716201 0.0071307 -0.8251100 0.0674834 -0.2028341 0.0066139 -1.0744986 6 Se -0.8706027 0.0073353 0.1716201 0.0071307 -0.8251100 -0.0674834 0.2028341 -0.0066139 -1.0744986 7 Se -0.8706027 -0.0073353 -0.1716201 -0.0071307 -0.8251100 -0.0674834 -0.2028341 -0.0066139 -1.0744986 8 Se -0.8706027 -0.0073353 0.1716201 -0.0071307 -0.8251100 0.0674834 0.2028341 0.0066139 -1.0744986 9 Rb 1.5646653 0.0851728 0.0000000 0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 10 Rb 1.5646653 -0.0851728 0.0000000 -0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 11 Rb 1.5646653 0.0851728 0.0000000 0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 12 Rb 1.5646653 -0.0851728 0.0000000 -0.0894567 1.4679063 0.0000000 0.0000000 0.0000000 1.3176437 13 Pd 0.4499742 0.5021232 0.0000000 0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 14 Pd 0.4499742 -0.5021232 0.0000000 -0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 15 Pd 0.4499742 0.5021232 0.0000000 0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 16 Pd -0.5468679 0.0000000 0.0000000 0.0000000 0.7198802 0.0000000 0.0000000 0.0000000 0.5659406 17 Pd -0.5468679 0.0000000 0.0000000 0.0000000 0.7198802 0.0000000 0.0000000 0.0000000 0.5659406 18 Pd 0.4499742 -0.5021232 0.0000000 -0.5114244 -0.1776265 0.0000000 0.0000000 0.0000000 0.5483831 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.53, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 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 0.553 ( 0.000 0.000 0.000) 0.000 0.618 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 -0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 -0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 -0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 -0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 -0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 -0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.178 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 -0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.155 ( -9.887 2.639 2.873) 10.629 0.262 ( -11.863 4.297 2.467) 12.856 0.579 ( -23.271 14.680 2.142) 27.597 0.624 ( -4.343 4.620 -0.804) 6.391 0.785 ( -13.199 6.094 -2.943) 14.833 0.899 ( 7.695 -3.771 0.625) 8.592 1.645 ( 0.397 -0.455 0.280) 0.666 1.691 ( 3.664 -0.952 1.277) 3.995 1.758 ( 0.584 -0.083 -1.442) 1.558 1.788 ( -0.108 -2.641 1.485) 3.032 1.839 ( 0.335 1.360 0.522) 1.495 1.915 ( -2.652 1.045 -0.373) 2.875 1.960 ( 2.937 2.492 -0.529) 3.888 2.125 ( 1.376 -0.977 0.375) 1.729 2.144 ( 1.319 -1.414 -0.400) 1.974 2.255 ( 1.189 -0.122 0.421) 1.267 2.275 ( 1.214 -1.164 0.946) 1.929 2.347 ( 0.005 -5.232 -2.961) 6.012 2.397 ( -0.678 1.166 -0.121) 1.355 2.399 ( -1.273 0.832 0.005) 1.521 2.572 ( 4.472 -3.758 -0.151) 5.843 2.582 ( 4.194 -4.471 -0.111) 6.132 2.624 ( 1.082 0.048 -0.531) 1.206 2.643 ( 3.145 0.788 0.420) 3.269 3.265 ( 4.086 -0.864 0.004) 4.177 3.270 ( 3.724 -1.202 0.017) 3.913 3.309 ( 1.893 -2.402 -0.053) 3.059 3.312 ( 2.065 -2.305 0.031) 3.095 3.553 ( 2.614 -2.225 0.148) 3.435 3.601 ( 3.527 -2.003 -0.086) 4.057 4.438 ( -0.295 1.387 -0.008) 1.418 4.440 ( -0.389 1.708 0.086) 1.754 4.480 ( -4.220 1.904 0.223) 4.635 4.491 ( -4.578 1.573 -0.011) 4.840 5.109 ( -1.986 1.190 0.065) 2.317 5.120 ( -1.723 1.354 -0.043) 2.192 5.154 ( -5.321 2.964 0.123) 6.092 5.168 ( -5.037 2.776 -0.049) 5.751 5.470 ( 1.027 -1.520 -0.059) 1.835 5.474 ( 1.793 -1.538 0.007) 2.363 6.146 ( -1.077 1.223 0.045) 1.630 6.163 ( -1.117 1.487 -0.118) 1.864 6.174 ( -2.534 0.794 0.144) 2.659 6.202 ( -1.834 0.542 -0.105) 1.915 6.468 ( 3.266 -1.739 -0.052) 3.700 6.477 ( 3.616 -1.833 -0.140) 4.057 6.608 ( 1.034 -0.461 1.785) 2.114 6.738 ( 2.071 -1.088 -0.217) 2.350 7.167 ( -1.288 -1.472 0.032) 1.956 7.178 ( -1.083 -0.822 -0.049) 1.361 7.209 ( -0.960 2.054 -0.004) 2.267 7.242 ( -2.205 2.924 -0.669) 3.723 7.714 ( 0.386 -0.435 0.079) 0.587 7.734 ( 0.876 -0.235 -0.058) 0.909 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -15.896 4.802 0.072) 16.605 0.514 ( -9.919 4.846 1.524) 11.144 0.699 ( 1.873 -3.364 -2.014) 4.346 0.767 ( -6.809 4.816 -1.421) 8.460 1.144 ( -22.394 13.779 1.240) 26.323 1.167 ( -17.226 9.060 1.002) 19.489 1.626 ( 1.742 -1.511 0.628) 2.390 1.632 ( 1.043 -0.838 1.039) 1.694 1.725 ( 1.880 -0.202 -1.502) 2.415 1.764 ( 1.158 -1.808 1.816) 2.813 1.826 ( 1.856 0.036 0.343) 1.888 1.910 ( 3.078 -1.474 -0.829) 3.512 1.960 ( -0.840 0.834 -2.059) 2.375 2.080 ( 2.052 -2.194 1.078) 3.192 2.094 ( 2.447 -1.417 0.447) 2.863 2.207 ( 2.945 -2.524 -1.330) 4.100 2.236 ( 4.242 -1.595 1.299) 4.714 2.247 ( 4.449 -2.929 0.168) 5.329 2.402 ( 7.720 -5.923 -1.555) 9.854 2.415 ( 7.195 -5.585 -0.118) 9.109 2.445 ( -3.013 1.858 0.043) 3.540 2.451 ( -3.142 1.650 -0.059) 3.549 2.591 ( 2.707 0.561 -0.481) 2.806 2.603 ( 2.462 0.345 0.500) 2.536 3.153 ( 7.089 -1.518 0.029) 7.250 3.159 ( 6.312 -2.684 0.003) 6.859 3.189 ( 7.633 -6.088 0.029) 9.763 3.192 ( 6.548 -6.698 -0.002) 9.367 3.501 ( 0.929 -0.916 -0.098) 1.308 3.533 ( 2.112 -0.312 0.123) 2.138 4.464 ( -0.708 1.908 0.013) 2.035 4.471 ( -0.824 2.017 0.087) 2.181 4.609 ( -6.840 3.525 0.237) 7.699 4.619 ( -6.923 3.184 0.005) 7.621 5.168 ( -2.934 1.434 0.051) 3.266 5.175 ( -2.587 1.528 -0.050) 3.005 5.310 ( -7.243 3.781 0.027) 8.171 5.318 ( -7.191 3.983 0.007) 8.221 5.418 ( 1.687 -1.825 -0.132) 2.489 5.427 ( 1.410 -1.816 0.079) 2.300 6.184 ( -1.566 1.166 0.130) 1.957 6.202 ( -1.433 1.337 -0.140) 1.965 6.235 ( -2.364 1.343 0.069) 2.720 6.248 ( -1.778 1.200 -0.033) 2.145 6.374 ( 4.187 -2.278 -0.051) 4.767 6.378 ( 4.221 -2.289 -0.050) 4.802 6.586 ( 1.520 -0.669 1.046) 1.963 6.676 ( 3.089 -1.634 -0.478) 3.527 7.174 ( -0.629 -0.562 0.057) 0.845 7.179 ( -0.262 -0.783 -0.016) 0.826 7.272 ( -2.968 2.698 0.277) 4.021 7.325 ( -3.963 2.651 -0.580) 4.803 7.697 ( 0.959 -0.871 0.018) 1.295 7.708 ( 1.595 -0.480 0.004) 1.666 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -12.250 4.345 -1.084) 13.043 0.777 ( -14.758 4.689 -0.989) 15.517 0.841 ( -13.426 5.017 2.866) 14.617 0.933 ( -7.311 4.121 -1.124) 8.468 1.547 ( -14.062 7.237 0.189) 15.817 1.566 ( -3.392 1.510 -2.154) 4.293 1.614 ( -0.764 -0.195 0.339) 0.858 1.660 ( -5.615 3.054 2.360) 6.814 1.710 ( -6.187 4.617 -0.059) 7.720 1.719 ( 0.625 -0.491 1.065) 1.329 1.794 ( 2.506 0.218 2.586) 3.608 1.816 ( 3.645 -4.302 0.200) 5.642 1.934 ( 3.287 -0.535 -2.656) 4.260 2.004 ( 10.925 -5.802 -0.297) 12.373 2.024 ( 2.254 -1.931 0.445) 3.001 2.053 ( 2.782 -1.781 1.815) 3.769 2.085 ( 8.294 -4.141 -0.606) 9.290 2.143 ( 5.650 -3.341 0.563) 6.587 2.254 ( 2.824 -1.973 -2.458) 4.232 2.290 ( 1.969 -1.066 0.120) 2.243 2.537 ( -3.085 2.120 -0.147) 3.746 2.544 ( -2.379 2.373 0.019) 3.360 2.548 ( -0.784 1.593 0.253) 1.793 2.568 ( 1.064 -0.259 -0.097) 1.099 2.942 ( 11.995 -7.337 0.229) 14.063 2.958 ( 11.483 -6.860 -0.058) 13.377 3.000 ( 6.869 -4.338 0.069) 8.125 3.007 ( 7.052 -3.879 -0.067) 8.048 3.495 ( -0.440 0.067 -0.243) 0.507 3.516 ( 0.654 0.645 0.239) 0.949 4.497 ( -0.815 1.625 0.021) 1.818 4.505 ( -0.730 1.580 0.052) 1.741 4.773 ( -6.884 3.987 0.120) 7.956 4.781 ( -6.978 3.784 0.008) 7.938 5.230 ( -2.307 1.234 0.011) 2.616 5.232 ( -2.076 1.355 -0.007) 2.479 5.327 ( 2.191 -3.299 0.070) 3.961 5.341 ( 2.309 -3.220 -0.169) 3.966 5.522 ( -7.835 4.735 -0.031) 9.155 5.524 ( -8.005 4.773 0.068) 9.321 6.178 ( 4.189 -2.453 0.137) 4.856 6.186 ( 4.633 -2.594 0.041) 5.310 6.247 ( -0.143 1.155 0.158) 1.175 6.259 ( -0.484 1.256 -0.101) 1.350 6.355 ( -2.559 1.072 -0.004) 2.775 6.359 ( -2.377 1.043 -0.050) 2.597 6.551 ( 1.907 -0.906 0.739) 2.237 6.601 ( 3.157 -1.696 -0.474) 3.615 7.176 ( -0.109 -0.451 0.053) 0.467 7.178 ( -0.305 -0.290 -0.008) 0.420 7.358 ( -3.312 2.464 0.619) 4.174 7.417 ( -3.800 2.202 -0.699) 4.447 7.661 ( 1.748 -1.139 -0.361) 2.117 7.672 ( 1.818 -0.763 0.368) 2.006 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -8.057 2.841 0.112) 8.544 1.023 ( -7.249 3.218 -0.758) 7.968 1.056 ( -8.823 3.921 0.758) 9.685 1.190 ( -13.059 5.569 0.543) 14.207 1.564 ( 0.607 -1.042 0.087) 1.209 1.574 ( 9.636 -6.099 0.726) 11.427 1.607 ( 3.128 -0.183 -0.617) 3.193 1.642 ( 1.587 -0.753 -0.962) 2.003 1.674 ( 3.882 -2.339 -1.288) 4.712 1.692 ( 0.255 -0.375 1.057) 1.150 1.763 ( 1.183 -0.250 -1.709) 2.093 1.805 ( 7.757 -3.964 0.948) 8.763 1.885 ( 0.443 0.361 2.541) 2.604 1.982 ( -2.467 0.635 -0.666) 2.633 1.995 ( -1.524 1.425 1.403) 2.514 2.023 ( 0.967 -0.142 2.336) 2.532 2.064 ( 0.181 -0.104 -0.160) 0.263 2.112 ( -11.225 6.034 -0.798) 12.769 2.193 ( -1.157 0.475 -3.620) 3.830 2.292 ( -0.450 0.751 0.898) 1.255 2.502 ( 2.307 0.439 0.247) 2.361 2.538 ( 1.509 -1.130 -0.019) 1.886 2.657 ( 6.494 -3.341 -0.470) 7.318 2.666 ( -1.641 0.953 0.089) 1.899 2.675 ( -3.925 1.870 -0.115) 4.350 2.700 ( 5.904 -4.579 0.528) 7.490 2.838 ( 6.799 -3.421 0.079) 7.612 2.846 ( 6.426 -3.602 -0.088) 7.367 3.505 ( -0.534 0.017 -0.215) 0.576 3.514 ( 0.407 0.403 0.208) 0.610 4.521 ( -0.461 0.676 0.020) 0.819 4.524 ( -0.181 0.543 0.005) 0.572 4.904 ( -3.462 2.253 0.009) 4.130 4.915 ( -3.701 2.286 0.044) 4.351 5.254 ( 1.472 -0.700 0.093) 1.632 5.261 ( 1.218 -0.021 -0.068) 1.220 5.273 ( -0.737 -0.809 -0.037) 1.095 5.274 ( -0.009 -1.557 -0.057) 1.558 5.685 ( -4.896 2.810 -0.023) 5.645 5.689 ( -5.034 2.794 0.004) 5.758 6.062 ( 4.168 -2.155 0.101) 4.694 6.068 ( 4.080 -2.170 0.069) 4.622 6.268 ( -0.470 0.530 0.088) 0.714 6.281 ( -0.483 0.504 -0.069) 0.701 6.415 ( -2.095 1.088 -0.048) 2.361 6.417 ( -2.130 1.137 -0.016) 2.415 6.511 ( 1.552 -0.798 0.403) 1.792 6.534 ( 2.229 -1.218 -0.261) 2.554 7.174 ( -0.050 -0.139 0.055) 0.157 7.179 ( -0.077 -0.104 -0.035) 0.134 7.430 ( -1.924 1.299 0.509) 2.377 7.485 ( -1.900 1.056 -0.535) 2.239 7.621 ( 1.094 -0.720 -0.304) 1.345 7.635 ( 1.412 -0.650 0.328) 1.589 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.092 ( 0.000 0.000 10.944) 10.944 0.100 ( 0.000 0.000 11.897) 11.897 0.168 ( 0.000 0.000 20.117) 20.117 0.544 ( -0.000 -0.000 -2.098) 2.098 0.608 ( -0.000 -0.000 -2.461) 2.461 1.003 ( -0.000 -0.000 -3.720) 3.720 1.650 ( 0.000 0.000 0.590) 0.590 1.741 ( 0.000 0.000 1.197) 1.197 1.747 ( -0.000 -0.000 -2.262) 2.262 1.827 ( 0.000 0.000 2.743) 2.743 1.883 ( -0.000 -0.000 -0.761) 0.761 1.943 ( -0.000 -0.000 -1.066) 1.066 2.082 ( -0.000 -0.000 -1.937) 1.937 2.115 ( -0.000 -0.000 -5.394) 5.394 2.144 ( 0.000 0.000 0.741) 0.741 2.167 ( 0.000 0.000 0.647) 0.647 2.271 ( 0.000 0.000 1.647) 1.647 2.303 ( 0.000 0.000 2.711) 2.711 2.381 ( 0.000 0.000 0.031) 0.031 2.384 ( -0.000 -0.000 -0.012) 0.012 2.627 ( -0.000 -0.000 -0.421) 0.421 2.632 ( 0.000 0.000 0.520) 0.520 2.638 ( -0.000 -0.000 -0.995) 0.995 2.681 ( 0.000 0.000 0.019) 0.019 3.305 ( 0.000 0.000 0.028) 0.028 3.307 ( -0.000 -0.000 -0.001) 0.001 3.333 ( 0.000 0.000 0.020) 0.020 3.338 ( -0.000 -0.000 -0.053) 0.053 3.596 ( 0.000 0.000 0.451) 0.451 3.649 ( -0.000 -0.000 -0.369) 0.369 4.426 ( 0.000 0.000 0.084) 0.084 4.428 ( 0.000 0.000 0.066) 0.066 4.433 ( 0.000 0.000 0.061) 0.061 4.442 ( -0.000 -0.000 -0.093) 0.093 5.082 ( 0.000 0.000 0.080) 0.080 5.094 ( -0.000 -0.000 -0.105) 0.105 5.100 ( 0.000 0.000 0.051) 0.051 5.109 ( -0.000 -0.000 -0.090) 0.090 5.484 ( 0.000 0.000 0.145) 0.145 5.500 ( -0.000 -0.000 -0.095) 0.095 6.129 ( 0.000 0.000 0.063) 0.063 6.142 ( -0.000 -0.000 -0.354) 0.354 6.149 ( 0.000 0.000 0.450) 0.450 6.182 ( -0.000 -0.000 -0.261) 0.261 6.507 ( -0.000 -0.000 -0.128) 0.128 6.520 ( -0.000 -0.000 -0.341) 0.341 6.735 ( 0.000 0.000 0.131) 0.131 6.762 ( -0.000 -0.000 -0.301) 0.301 7.138 ( 0.000 0.000 0.193) 0.193 7.165 ( -0.000 -0.000 -0.220) 0.220 7.179 ( 0.000 0.000 0.172) 0.172 7.196 ( -0.000 -0.000 -0.103) 0.103 7.720 ( 0.000 0.000 0.186) 0.186 7.743 ( -0.000 -0.000 -0.155) 0.155 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( -5.820 2.626 7.834) 10.107 0.298 ( -10.010 4.325 5.769) 12.336 0.601 ( -9.668 8.421 -0.445) 12.828 0.623 ( -16.450 8.850 3.552) 19.014 0.743 ( -8.369 4.584 -6.714) 11.668 0.904 ( 1.825 -1.393 -0.037) 2.296 1.649 ( 0.459 -0.414 0.764) 0.983 1.708 ( 4.038 -1.697 2.672) 5.131 1.742 ( 0.382 0.138 -2.215) 2.252 1.805 ( 0.530 -2.760 2.423) 3.710 1.844 ( 0.950 -0.012 0.310) 1.000 1.909 ( -2.265 1.112 -1.226) 2.805 1.955 ( 2.687 2.221 -0.355) 3.504 2.126 ( 0.847 -1.561 -0.683) 1.902 2.141 ( 1.593 -0.319 0.288) 1.650 2.262 ( 1.280 -1.207 1.034) 2.041 2.284 ( 0.669 -0.198 -0.001) 0.697 2.309 ( -0.682 -3.110 -4.095) 5.187 2.396 ( -1.037 0.997 -0.036) 1.439 2.399 ( -1.261 0.850 -0.022) 1.521 2.569 ( 4.495 -3.628 -0.498) 5.798 2.580 ( 4.842 -4.280 -0.498) 6.482 2.618 ( 1.055 -0.145 -0.585) 1.215 2.647 ( 2.606 0.392 0.451) 2.673 3.265 ( 4.039 -0.954 0.015) 4.150 3.270 ( 3.757 -1.130 0.036) 3.924 3.308 ( 1.919 -2.460 -0.107) 3.122 3.312 ( 2.020 -2.222 0.059) 3.004 3.556 ( 2.719 -2.324 0.446) 3.605 3.600 ( 3.421 -1.960 -0.322) 3.955 4.438 ( -0.332 1.344 0.017) 1.385 4.441 ( -0.356 1.708 0.178) 1.753 4.483 ( -4.251 1.884 0.379) 4.665 4.491 ( -4.568 1.650 -0.017) 4.857 5.110 ( -1.924 1.245 0.150) 2.296 5.120 ( -1.734 1.359 -0.122) 2.206 5.156 ( -5.233 2.865 0.262) 5.971 5.167 ( -5.054 2.768 -0.128) 5.764 5.469 ( 1.130 -1.509 -0.073) 1.887 5.474 ( 1.695 -1.461 -0.012) 2.238 6.146 ( -1.092 1.225 0.126) 1.646 6.161 ( -1.204 1.513 -0.258) 1.951 6.176 ( -2.415 0.744 0.338) 2.550 6.200 ( -1.881 0.561 -0.294) 1.985 6.467 ( 3.241 -1.733 -0.123) 3.677 6.475 ( 3.544 -1.814 -0.338) 3.995 6.632 ( 2.464 -1.271 3.578) 4.526 6.735 ( 2.128 -1.127 -0.639) 2.491 7.168 ( -1.361 -1.443 0.091) 1.986 7.177 ( -1.147 -0.850 -0.137) 1.434 7.209 ( -1.036 2.133 -0.005) 2.371 7.233 ( -2.604 3.232 -1.311) 4.353 7.716 ( 0.420 -0.429 0.226) 0.641 7.733 ( 0.843 -0.245 -0.178) 0.895 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -13.998 3.758 0.938) 14.524 0.529 ( -8.218 4.308 1.854) 9.462 0.677 ( -1.470 -1.427 -2.928) 3.573 0.750 ( -7.065 5.056 -2.494) 9.038 1.157 ( -21.489 12.740 1.916) 25.055 1.178 ( -16.937 8.916 1.414) 19.192 1.632 ( 1.005 -1.538 0.890) 2.041 1.645 ( 1.717 -0.778 2.107) 2.827 1.712 ( 1.805 -0.068 -1.482) 2.337 1.783 ( 1.035 -2.205 2.508) 3.496 1.824 ( 1.018 0.108 -1.107) 1.508 1.898 ( 2.451 -1.589 -2.188) 3.649 1.948 ( 0.382 0.431 -0.312) 0.655 2.079 ( 2.474 -1.155 -1.063) 2.930 2.105 ( 1.838 -1.464 1.789) 2.954 2.197 ( 3.063 -3.606 -1.328) 4.914 2.237 ( 4.945 -2.477 -0.007) 5.530 2.260 ( 2.603 -0.570 2.175) 3.439 2.386 ( 8.461 -5.990 -2.172) 10.592 2.412 ( 7.500 -5.431 -0.727) 9.288 2.446 ( -3.033 1.820 0.078) 3.538 2.451 ( -3.173 1.740 -0.091) 3.620 2.588 ( 2.067 -0.043 -0.252) 2.083 2.607 ( 2.738 0.359 0.307) 2.779 3.153 ( 6.970 -1.677 0.047) 7.169 3.159 ( 6.404 -2.582 0.003) 6.905 3.190 ( 7.547 -6.345 0.044) 9.860 3.192 ( 6.637 -6.387 -0.003) 9.211 3.500 ( 1.031 -1.003 -0.114) 1.443 3.534 ( 2.012 -0.265 0.147) 2.035 4.465 ( -0.741 1.852 0.025) 1.994 4.472 ( -0.779 2.043 0.128) 2.190 4.611 ( -6.781 3.468 0.337) 7.624 4.619 ( -6.891 3.225 0.007) 7.609 5.168 ( -2.890 1.450 0.091) 3.235 5.174 ( -2.619 1.521 -0.090) 3.030 5.310 ( -7.180 3.753 0.033) 8.101 5.318 ( -7.260 4.003 0.019) 8.291 5.417 ( 1.691 -1.893 -0.167) 2.544 5.428 ( 1.438 -1.707 0.088) 2.234 6.185 ( -1.577 1.188 0.243) 1.989 6.201 ( -1.447 1.303 -0.257) 1.964 6.236 ( -2.306 1.301 0.112) 2.651 6.248 ( -1.897 1.252 -0.056) 2.273 6.374 ( 4.182 -2.315 -0.082) 4.781 6.378 ( 4.125 -2.236 -0.068) 4.693 6.598 ( 1.892 -0.905 1.773) 2.746 6.670 ( 3.038 -1.616 -0.943) 3.568 7.175 ( -0.594 -0.584 0.099) 0.839 7.179 ( -0.306 -0.772 -0.037) 0.831 7.276 ( -3.114 2.727 0.544) 4.175 7.318 ( -3.999 2.731 -0.993) 4.944 7.697 ( 1.111 -0.890 0.031) 1.424 7.708 ( 1.451 -0.468 0.002) 1.525 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -14.401 3.698 -1.378) 14.932 0.775 ( -13.613 4.633 0.259) 14.382 0.862 ( -13.068 5.537 2.126) 14.351 0.922 ( -7.575 4.498 -1.386) 8.918 1.543 ( -10.059 4.884 -1.194) 11.246 1.556 ( -8.363 3.963 -0.101) 9.255 1.617 ( -0.047 -0.131 0.350) 0.377 1.674 ( 0.322 0.276 0.894) 0.989 1.713 ( -8.814 4.988 0.837) 10.162 1.733 ( 0.520 -0.847 2.263) 2.471 1.804 ( 2.901 -1.370 -0.076) 3.209 1.826 ( -0.452 -0.438 1.915) 2.016 1.915 ( 3.125 -0.786 -1.332) 3.487 1.998 ( 9.666 -5.083 -1.078) 10.974 2.027 ( 5.356 -3.208 0.292) 6.251 2.056 ( 3.288 -1.335 -0.848) 3.649 2.091 ( 4.931 -3.567 2.072) 6.429 2.149 ( 7.904 -4.335 0.783) 9.048 2.232 ( 3.139 -2.068 -2.627) 4.586 2.289 ( 1.500 -0.292 -0.511) 1.611 2.536 ( -2.906 2.102 -0.089) 3.588 2.544 ( -3.727 2.577 0.088) 4.532 2.550 ( 0.107 0.970 0.350) 1.037 2.566 ( 1.112 -0.281 -0.303) 1.187 2.944 ( 11.639 -7.397 0.288) 13.793 2.957 ( 11.689 -6.933 -0.091) 13.591 3.001 ( 6.926 -4.167 0.101) 8.083 3.006 ( 7.058 -3.932 -0.099) 8.079 3.493 ( -0.441 0.053 -0.227) 0.499 3.518 ( 0.641 0.617 0.222) 0.917 4.497 ( -0.840 1.580 0.025) 1.790 4.505 ( -0.682 1.611 0.058) 1.750 4.774 ( -6.821 3.946 0.134) 7.881 4.781 ( -6.988 3.807 0.010) 7.958 5.230 ( -2.280 1.231 0.014) 2.591 5.232 ( -2.115 1.358 -0.009) 2.513 5.328 ( 2.226 -3.304 0.109) 3.986 5.340 ( 2.298 -3.195 -0.222) 3.942 5.522 ( -7.807 4.715 -0.017) 9.120 5.524 ( -8.016 4.779 0.058) 9.333 6.179 ( 4.186 -2.557 0.165) 4.908 6.186 ( 4.521 -2.519 0.037) 5.175 6.249 ( -0.170 1.143 0.214) 1.175 6.258 ( -0.431 1.223 -0.149) 1.305 6.355 ( -2.586 1.091 -0.001) 2.807 6.358 ( -2.361 1.023 -0.061) 2.574 6.559 ( 2.105 -1.058 1.069) 2.587 6.596 ( 3.016 -1.627 -0.768) 3.511 7.176 ( -0.131 -0.432 0.072) 0.457 7.178 ( -0.275 -0.312 -0.021) 0.416 7.364 ( -3.369 2.397 0.927) 4.237 7.410 ( -3.823 2.279 -1.017) 4.565 7.659 ( 1.812 -1.194 -0.272) 2.187 7.675 ( 1.749 -0.725 0.279) 1.913 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -7.383 2.346 0.171) 7.749 1.017 ( -8.945 3.486 -0.645) 9.622 1.061 ( -8.245 3.567 0.544) 8.999 1.195 ( -12.655 5.938 0.508) 13.989 1.565 ( -0.094 -0.826 0.101) 0.838 1.580 ( 12.365 -6.305 0.693) 13.897 1.602 ( 1.462 -0.108 -0.247) 1.486 1.634 ( 2.299 -2.126 -1.035) 3.298 1.663 ( 1.818 -1.937 -0.930) 2.814 1.702 ( 0.759 -0.483 1.276) 1.561 1.746 ( -0.020 0.045 -2.154) 2.155 1.812 ( 8.963 -3.741 0.657) 9.734 1.911 ( 2.553 -0.311 3.428) 4.285 1.974 ( -1.435 0.710 -1.233) 2.020 2.002 ( -0.790 0.421 0.478) 1.015 2.049 ( -0.358 0.237 3.501) 3.527 2.062 ( -1.546 0.817 -0.178) 1.757 2.105 ( -10.009 4.858 -0.708) 11.148 2.161 ( -1.872 1.041 -3.961) 4.503 2.298 ( -1.065 1.407 0.412) 1.812 2.506 ( 2.169 0.253 0.618) 2.270 2.536 ( 1.088 -1.029 -0.413) 1.554 2.653 ( 8.776 -4.346 -0.338) 9.799 2.667 ( -3.300 1.614 0.151) 3.677 2.674 ( -4.059 1.846 -0.100) 4.461 2.704 ( 5.801 -4.655 0.361) 7.447 2.839 ( 6.715 -3.658 0.076) 7.647 2.845 ( 6.525 -3.348 -0.085) 7.334 3.503 ( -0.625 -0.033 -0.144) 0.642 3.515 ( 0.467 0.409 0.137) 0.636 4.521 ( -0.465 0.660 0.018) 0.808 4.524 ( -0.155 0.556 0.004) 0.577 4.904 ( -3.428 2.274 0.008) 4.113 4.915 ( -3.709 2.241 0.038) 4.334 5.255 ( 1.514 -0.793 0.115) 1.713 5.260 ( 1.255 -0.117 -0.096) 1.264 5.273 ( -0.697 -0.644 -0.031) 0.950 5.274 ( -0.165 -1.511 -0.049) 1.521 5.684 ( -4.908 2.813 -0.020) 5.657 5.689 ( -5.022 2.776 0.002) 5.739 6.063 ( 4.160 -2.284 0.090) 4.747 6.068 ( 4.135 -2.160 0.060) 4.666 6.269 ( -0.436 0.440 0.085) 0.625 6.280 ( -0.520 0.559 -0.069) 0.767 6.414 ( -2.084 1.055 -0.044) 2.336 6.417 ( -2.163 1.161 -0.014) 2.455 6.515 ( 1.776 -0.968 0.469) 2.076 6.531 ( 2.051 -1.123 -0.344) 2.363 7.175 ( -0.025 -0.175 0.055) 0.185 7.179 ( -0.087 -0.073 -0.037) 0.120 7.435 ( -1.668 1.028 0.539) 2.032 7.480 ( -2.180 1.295 -0.561) 2.597 7.619 ( 0.935 -0.788 -0.206) 1.240 7.638 ( 1.554 -0.608 0.226) 1.684 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 8.602 -3.267 -0.036) 9.202 1.029 ( 4.466 -2.670 0.635) 5.242 1.050 ( 10.663 -4.575 -0.690) 11.624 1.187 ( 13.423 -5.226 -0.334) 14.408 1.564 ( -2.639 2.501 0.046) 3.636 1.569 ( -6.276 4.226 -0.511) 7.583 1.611 ( -4.130 0.748 0.352) 4.212 1.652 ( -1.986 0.135 1.417) 2.443 1.676 ( -4.119 0.473 -0.845) 4.232 1.691 ( -0.072 1.423 0.611) 1.550 1.772 ( -3.669 1.495 0.444) 3.987 1.797 ( -7.281 4.276 -0.757) 8.477 1.872 ( 4.126 -2.146 -0.688) 4.701 1.979 ( 0.724 -1.345 -1.930) 2.461 1.986 ( 1.504 0.372 0.260) 1.571 2.012 ( -0.732 -0.196 -0.522) 0.920 2.064 ( -0.285 -0.127 0.010) 0.312 2.117 ( 11.775 -6.700 0.518) 13.558 2.219 ( 0.503 -0.014 2.636) 2.684 2.283 ( -0.078 -0.170 -1.196) 1.210 2.502 ( -2.448 -0.761 0.052) 2.564 2.537 ( -1.826 1.334 -0.192) 2.270 2.660 ( -1.073 0.993 0.265) 1.486 2.666 ( -2.568 0.868 0.092) 2.712 2.676 ( 3.086 -1.640 0.132) 3.497 2.696 ( -5.941 4.503 -0.484) 7.470 2.838 ( -6.853 3.287 -0.049) 7.601 2.846 ( -6.358 3.752 0.054) 7.383 3.507 ( 0.475 -0.051 0.241) 0.535 3.512 ( -0.376 -0.409 -0.237) 0.604 4.521 ( 0.458 -0.690 -0.013) 0.829 4.524 ( 0.203 -0.532 -0.003) 0.569 4.904 ( 3.493 -2.234 -0.006) 4.146 4.914 ( 3.693 -2.327 -0.029) 4.365 5.254 ( -1.452 0.643 -0.050) 1.589 5.261 ( -1.165 -0.079 0.032) 1.168 5.274 ( 0.763 0.921 0.025) 1.196 5.275 ( -0.121 1.620 0.038) 1.625 5.685 ( 4.883 -2.806 0.016) 5.632 5.689 ( 5.046 -2.811 -0.003) 5.776 6.061 ( -4.173 2.047 -0.065) 4.649 6.067 ( -4.033 2.175 -0.046) 4.582 6.267 ( 0.494 -0.599 -0.053) 0.778 6.281 ( 0.456 -0.466 0.041) 0.653 6.415 ( 2.105 -1.121 0.030) 2.385 6.417 ( 2.100 -1.112 0.011) 2.376 6.509 ( -1.409 0.684 -0.227) 1.583 6.536 ( -2.333 1.266 0.135) 2.657 7.174 ( 0.068 0.115 -0.033) 0.138 7.179 ( 0.072 0.124 0.020) 0.145 7.427 ( 2.086 -1.481 -0.295) 2.576 7.488 ( 1.718 -0.905 0.313) 1.967 7.624 ( -1.370 0.617 0.323) 1.537 7.632 ( -1.153 0.732 -0.340) 1.408 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 10.814 -4.928 0.329) 11.889 0.792 ( 15.495 -4.926 2.412) 16.437 0.816 ( 13.688 -4.287 -3.037) 14.662 0.939 ( 7.152 -3.905 0.426) 8.160 1.545 ( 13.605 -6.976 -0.152) 15.290 1.585 ( 1.665 -1.126 1.841) 2.725 1.611 ( 0.251 1.077 -0.399) 1.175 1.641 ( 12.581 -6.945 -1.710) 14.472 1.710 ( -1.377 0.535 -0.080) 1.479 1.716 ( 4.206 -3.705 0.159) 5.608 1.775 ( -2.839 0.236 -1.472) 3.207 1.816 ( -4.871 4.771 0.067) 6.818 1.953 ( -5.531 1.041 1.686) 5.875 2.002 ( -5.032 3.780 -0.602) 6.323 2.025 ( -4.529 2.818 0.776) 5.390 2.036 ( -4.735 2.911 -1.855) 5.860 2.091 ( -9.339 4.171 0.519) 10.241 2.140 ( -3.853 2.653 -0.203) 4.683 2.272 ( -2.160 1.543 1.683) 3.144 2.286 ( -2.664 1.863 -0.837) 3.356 2.538 ( 3.857 -2.258 0.074) 4.469 2.544 ( 0.523 -2.053 0.145) 2.124 2.546 ( 1.626 -2.086 -0.230) 2.655 2.568 ( -0.975 0.264 0.004) 1.010 2.940 ( -12.183 7.303 -0.086) 14.205 2.958 ( -11.392 6.808 0.019) 13.272 3.000 ( -6.836 4.433 -0.025) 8.147 3.007 ( -7.044 3.861 0.023) 8.033 3.497 ( 0.454 -0.065 0.115) 0.473 3.514 ( -0.677 -0.674 -0.114) 0.962 4.497 ( 0.796 -1.656 -0.008) 1.838 4.504 ( 0.762 -1.559 -0.021) 1.735 4.772 ( 6.923 -4.013 -0.048) 8.003 4.781 ( 6.974 -3.771 -0.003) 7.928 5.230 ( 2.322 -1.236 -0.004) 2.631 5.232 ( 2.053 -1.354 0.003) 2.459 5.327 ( -2.170 3.299 -0.023) 3.949 5.342 ( -2.313 3.233 0.062) 3.976 5.523 ( 7.838 -4.761 0.040) 9.171 5.523 ( 8.013 -4.757 -0.055) 9.319 6.177 ( -4.196 2.396 -0.053) 4.832 6.185 ( -4.701 2.634 -0.017) 5.388 6.246 ( 0.133 -1.167 -0.058) 1.176 6.260 ( 0.513 -1.274 0.035) 1.373 6.355 ( 2.545 -1.062 0.002) 2.758 6.359 ( 2.385 -1.054 0.019) 2.608 6.547 ( -1.796 0.819 -0.265) 1.991 6.604 ( -3.231 1.728 0.159) 3.667 7.175 ( 0.099 0.461 -0.020) 0.472 7.178 ( 0.321 0.277 0.002) 0.424 7.354 ( 3.275 -2.497 -0.216) 4.124 7.421 ( 3.785 -2.162 0.248) 4.367 7.665 ( -1.577 1.134 0.334) 1.971 7.669 ( -1.992 0.758 -0.337) 2.157 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 16.448 -5.165 0.000) 17.240 0.507 ( 10.559 -4.976 0.000) 11.673 0.707 ( -3.067 4.046 -0.000) 5.077 0.773 ( 6.733 -4.725 0.000) 8.226 1.138 ( 22.694 -14.151 0.000) 26.744 1.163 ( 17.429 -9.182 0.000) 19.700 1.623 ( -2.496 1.027 -0.000) 2.699 1.628 ( -0.282 1.344 -0.000) 1.373 1.733 ( -1.940 0.264 -0.000) 1.958 1.755 ( -1.148 1.595 -0.000) 1.965 1.823 ( -2.237 -0.016 -0.000) 2.237 1.913 ( -3.096 1.345 -0.000) 3.375 1.971 ( 1.314 -0.968 0.000) 1.632 2.073 ( -2.442 2.281 -0.000) 3.341 2.093 ( -2.383 1.891 -0.000) 3.042 2.219 ( -3.287 2.339 -0.000) 4.034 2.222 ( -2.716 0.380 -0.000) 2.742 2.249 ( -5.940 4.419 -0.000) 7.403 2.410 ( -7.397 5.897 -0.000) 9.460 2.414 ( -7.162 5.648 -0.000) 9.121 2.445 ( 2.996 -1.882 0.000) 3.538 2.452 ( 3.129 -1.607 0.000) 3.517 2.594 ( -3.504 -1.122 0.000) 3.679 2.600 ( -1.817 -0.020 -0.000) 1.817 3.153 ( -7.133 1.460 -0.000) 7.281 3.159 ( -6.278 2.720 -0.000) 6.842 3.189 ( -7.669 5.980 -0.000) 9.725 3.192 ( -6.512 6.826 -0.000) 9.434 3.501 ( -0.887 0.880 -0.000) 1.250 3.533 ( -2.152 0.331 -0.000) 2.177 4.464 ( 0.692 -1.932 0.000) 2.052 4.471 ( 0.845 -2.004 0.000) 2.175 4.608 ( 6.872 -3.549 0.000) 7.734 4.619 ( 6.934 -3.169 0.000) 7.624 5.168 ( 2.950 -1.428 0.000) 3.277 5.175 ( 2.576 -1.530 0.000) 2.997 5.310 ( 7.269 -3.794 0.000) 8.200 5.318 ( 7.163 -3.974 0.000) 8.191 5.419 ( -1.691 1.785 -0.000) 2.459 5.427 ( -1.394 1.873 -0.000) 2.335 6.183 ( 1.561 -1.160 0.000) 1.945 6.203 ( 1.427 -1.348 0.000) 1.963 6.235 ( 2.384 -1.358 0.000) 2.744 6.249 ( 1.734 -1.181 0.000) 2.098 6.374 ( -4.189 2.262 -0.000) 4.760 6.378 ( -4.261 2.311 -0.000) 4.847 6.581 ( -1.364 0.571 -0.000) 1.479 6.678 ( -3.106 1.640 -0.000) 3.512 7.174 ( 0.641 0.554 -0.000) 0.847 7.179 ( 0.247 0.787 -0.000) 0.825 7.271 ( 2.917 -2.687 0.000) 3.966 7.327 ( 3.939 -2.616 0.000) 4.729 7.697 ( -0.900 0.863 -0.000) 1.247 7.708 ( -1.650 0.484 -0.000) 1.720 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.181 ( 0.000 0.000 10.405) 10.405 0.196 ( 0.000 0.000 11.376) 11.376 0.333 ( 0.000 0.000 19.653) 19.653 0.519 ( -0.000 -0.000 -3.977) 3.977 0.578 ( -0.000 -0.000 -4.718) 4.718 0.956 ( -0.000 -0.000 -7.497) 7.497 1.657 ( 0.000 0.000 1.013) 1.013 1.727 ( -0.000 -0.000 -2.391) 2.391 1.756 ( 0.000 0.000 2.317) 2.317 1.850 ( 0.000 0.000 2.201) 2.201 1.877 ( -0.000 -0.000 -0.370) 0.370 1.934 ( -0.000 -0.000 -0.759) 0.759 2.061 ( -0.000 -0.000 -7.367) 7.367 2.061 ( -0.000 -0.000 -3.126) 3.126 2.152 ( 0.000 0.000 1.137) 1.137 2.173 ( 0.000 0.000 0.598) 0.598 2.289 ( 0.000 0.000 2.594) 2.594 2.326 ( 0.000 0.000 2.448) 2.448 2.382 ( 0.000 0.000 0.055) 0.055 2.384 ( -0.000 -0.000 -0.027) 0.027 2.622 ( -0.000 -0.000 -0.662) 0.662 2.628 ( -0.000 -0.000 -1.313) 1.313 2.638 ( 0.000 0.000 0.920) 0.920 2.680 ( -0.000 -0.000 -0.315) 0.315 3.305 ( 0.000 0.000 0.050) 0.050 3.307 ( -0.000 -0.000 -0.010) 0.010 3.334 ( 0.000 0.000 0.045) 0.045 3.338 ( -0.000 -0.000 -0.095) 0.095 3.601 ( 0.000 0.000 0.830) 0.830 3.644 ( -0.000 -0.000 -0.704) 0.704 4.427 ( 0.000 0.000 0.127) 0.127 4.429 ( 0.000 0.000 0.088) 0.088 4.433 ( 0.000 0.000 0.125) 0.125 4.441 ( -0.000 -0.000 -0.159) 0.159 5.083 ( 0.000 0.000 0.154) 0.154 5.093 ( -0.000 -0.000 -0.191) 0.191 5.100 ( 0.000 0.000 0.099) 0.099 5.108 ( -0.000 -0.000 -0.161) 0.161 5.486 ( 0.000 0.000 0.264) 0.264 5.498 ( -0.000 -0.000 -0.188) 0.188 6.129 ( 0.000 0.000 0.123) 0.123 6.139 ( -0.000 -0.000 -0.325) 0.325 6.153 ( 0.000 0.000 0.526) 0.526 6.179 ( -0.000 -0.000 -0.481) 0.481 6.506 ( -0.000 -0.000 -0.164) 0.164 6.516 ( -0.000 -0.000 -0.552) 0.552 6.736 ( 0.000 0.000 0.271) 0.271 6.759 ( -0.000 -0.000 -0.534) 0.534 7.140 ( 0.000 0.000 0.365) 0.365 7.162 ( -0.000 -0.000 -0.400) 0.400 7.181 ( 0.000 0.000 0.303) 0.303 7.195 ( -0.000 -0.000 -0.203) 0.203 7.723 ( 0.000 0.000 0.344) 0.344 7.741 ( -0.000 -0.000 -0.296) 0.296 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( -2.410 2.304 10.365) 10.888 0.352 ( -7.740 4.389 7.007) 11.326 0.577 ( -4.692 5.276 -4.076) 8.153 0.658 ( -10.208 4.323 -2.440) 11.351 0.695 ( -13.660 8.615 1.276) 16.199 0.895 ( -3.635 0.916 -2.268) 4.381 1.657 ( 0.545 -0.390 1.092) 1.281 1.723 ( 0.176 0.394 -2.166) 2.209 1.732 ( 3.924 -2.505 2.774) 5.419 1.824 ( 1.258 -1.760 1.802) 2.816 1.843 ( 1.438 -1.914 -0.224) 2.404 1.894 ( -0.679 1.320 -2.298) 2.735 1.959 ( 0.936 1.130 1.395) 2.024 2.112 ( 0.662 -0.560 -2.589) 2.730 2.149 ( 1.157 -0.471 1.214) 1.742 2.240 ( -2.288 -1.364 -5.493) 6.104 2.283 ( 1.512 -0.665 1.756) 2.410 2.309 ( 1.677 -0.777 1.599) 2.444 2.396 ( -1.166 0.884 0.034) 1.464 2.398 ( -1.249 0.859 -0.044) 1.516 2.564 ( 4.424 -3.431 -0.704) 5.643 2.574 ( 5.681 -3.564 -0.885) 6.764 2.616 ( 0.847 -1.003 0.026) 1.313 2.649 ( 2.175 0.132 0.095) 2.181 3.266 ( 3.971 -1.089 0.022) 4.118 3.270 ( 3.806 -1.013 0.034) 3.939 3.307 ( 1.945 -2.527 -0.099) 3.190 3.313 ( 1.975 -2.126 0.050) 2.902 3.560 ( 2.934 -2.503 0.668) 3.914 3.596 ( 3.204 -1.827 -0.558) 3.731 4.439 ( -0.361 1.277 0.039) 1.328 4.443 ( -0.334 1.707 0.179) 1.748 4.485 ( -4.409 1.862 0.229) 4.791 4.490 ( -4.527 1.816 0.012) 4.878 5.111 ( -1.869 1.309 0.185) 2.289 5.118 ( -1.756 1.362 -0.178) 2.230 5.158 ( -5.173 2.787 0.271) 5.882 5.166 ( -5.080 2.759 -0.172) 5.783 5.469 ( 1.311 -1.536 -0.012) 2.019 5.474 ( 1.562 -1.355 -0.036) 2.068 6.148 ( -1.119 1.229 0.185) 1.672 6.159 ( -1.239 1.558 -0.292) 2.011 6.179 ( -2.314 0.651 0.435) 2.443 6.197 ( -1.967 0.606 -0.430) 2.103 6.466 ( 3.212 -1.727 -0.106) 3.648 6.472 ( 3.433 -1.783 -0.399) 3.889 6.662 ( 3.230 -1.717 3.292) 4.921 6.728 ( 2.259 -1.208 -1.035) 2.763 7.169 ( -1.462 -1.371 0.143) 2.009 7.176 ( -1.259 -0.907 -0.200) 1.564 7.209 ( -1.198 2.294 0.023) 2.589 7.222 ( -2.630 3.331 -1.081) 4.379 7.718 ( 0.485 -0.418 0.338) 0.724 7.731 ( 0.777 -0.258 -0.288) 0.868 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -10.502 2.026 2.072) 10.895 0.539 ( -6.426 3.373 0.216) 7.261 0.657 ( -5.937 1.392 -1.510) 6.283 0.727 ( -7.576 5.410 -2.913) 9.755 1.173 ( -20.077 11.265 1.700) 23.084 1.189 ( -17.092 9.140 1.138) 19.416 1.640 ( 0.976 -1.152 0.866) 1.741 1.665 ( 1.517 -1.290 2.380) 3.103 1.702 ( 1.585 0.206 -0.641) 1.722 1.805 ( 0.993 -0.327 1.367) 1.720 1.806 ( 0.507 -1.930 -1.687) 2.613 1.878 ( 1.665 -1.623 -2.492) 3.408 1.955 ( 1.072 -0.254 1.558) 1.908 2.067 ( 3.159 0.032 -1.816) 3.643 2.118 ( 1.737 -2.088 1.191) 2.965 2.184 ( 2.639 -3.073 -1.497) 4.319 2.242 ( 3.512 -1.933 1.273) 4.206 2.277 ( 2.497 -0.632 1.751) 3.114 2.368 ( 9.526 -6.032 -2.197) 11.487 2.405 ( 8.054 -5.306 -0.895) 9.686 2.447 ( -3.031 1.802 0.091) 3.527 2.450 ( -3.198 1.799 -0.093) 3.670 2.587 ( 1.574 -0.620 -0.030) 1.692 2.608 ( 2.847 0.286 0.096) 2.863 3.153 ( 6.816 -1.884 0.044) 7.072 3.159 ( 6.525 -2.443 0.001) 6.967 3.190 ( 7.458 -6.612 0.039) 9.968 3.192 ( 6.732 -6.052 -0.002) 9.053 3.499 ( 1.146 -1.101 -0.073) 1.591 3.535 ( 1.897 -0.211 0.097) 1.912 4.465 ( -0.770 1.796 0.025) 1.955 4.473 ( -0.738 2.064 0.108) 2.194 4.614 ( -6.752 3.407 0.277) 7.568 4.619 ( -6.838 3.282 0.002) 7.584 5.169 ( -2.831 1.472 0.111) 3.192 5.173 ( -2.667 1.510 -0.111) 3.067 5.311 ( -7.116 3.727 0.022) 8.033 5.318 ( -7.330 4.019 0.024) 8.360 5.416 ( 1.707 -1.941 -0.126) 2.588 5.428 ( 1.461 -1.613 0.058) 2.177 6.188 ( -1.596 1.232 0.314) 2.041 6.198 ( -1.457 1.243 -0.326) 1.943 6.237 ( -2.223 1.246 0.107) 2.551 6.248 ( -2.050 1.321 -0.058) 2.440 6.373 ( 4.170 -2.353 -0.075) 4.789 6.377 ( 4.026 -2.183 -0.053) 4.580 6.614 ( 2.294 -1.167 2.071) 3.304 6.660 ( 2.952 -1.575 -1.377) 3.619 7.176 ( -0.537 -0.614 0.118) 0.824 7.178 ( -0.373 -0.753 -0.064) 0.843 7.281 ( -3.319 2.762 0.782) 4.388 7.309 ( -3.982 2.811 -1.163) 5.011 7.697 ( 1.293 -0.914 0.031) 1.583 7.708 ( 1.279 -0.452 -0.003) 1.356 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -15.932 3.342 -0.883) 16.302 0.779 ( -12.810 4.394 0.514) 13.553 0.876 ( -12.869 5.896 1.115) 14.199 0.912 ( -7.845 4.908 -0.995) 9.307 1.534 ( -7.429 3.121 -0.830) 8.100 1.557 ( -11.363 5.594 0.216) 12.667 1.620 ( 0.747 -0.156 0.250) 0.803 1.677 ( 1.225 0.385 0.093) 1.287 1.721 ( -6.662 2.060 0.784) 7.017 1.753 ( 1.743 -1.483 2.274) 3.226 1.803 ( 0.043 -0.452 0.060) 0.458 1.831 ( -3.891 2.737 -0.861) 4.834 1.918 ( 4.752 -2.357 1.743) 5.583 1.985 ( 6.665 -2.822 -2.113) 7.540 2.028 ( 8.395 -5.136 0.012) 9.841 2.049 ( 3.692 -1.512 -0.576) 4.031 2.109 ( 3.118 -2.792 1.956) 4.620 2.155 ( 9.694 -5.380 0.587) 11.102 2.213 ( 3.254 -1.980 -1.966) 4.286 2.284 ( 1.088 0.442 -0.566) 1.303 2.536 ( -3.106 2.177 -0.027) 3.794 2.545 ( -4.549 2.725 0.057) 5.303 2.554 ( 1.044 0.368 0.501) 1.215 2.563 ( 1.002 -0.294 -0.495) 1.155 2.946 ( 11.181 -7.469 0.219) 13.448 2.956 ( 12.013 -6.977 -0.089) 13.893 3.002 ( 6.988 -3.934 0.104) 8.020 3.005 ( 7.049 -4.059 -0.104) 8.135 3.492 ( -0.449 0.034 -0.130) 0.469 3.519 ( 0.636 0.598 0.126) 0.882 4.497 ( -0.861 1.543 0.016) 1.767 4.505 ( -0.642 1.635 0.038) 1.757 4.775 ( -6.762 3.907 0.086) 7.810 4.781 ( -7.003 3.829 0.007) 7.981 5.230 ( -2.252 1.227 0.010) 2.565 5.232 ( -2.153 1.361 -0.006) 2.547 5.329 ( 2.267 -3.319 0.104) 4.021 5.338 ( 2.279 -3.163 -0.178) 3.902 5.522 ( -7.786 4.701 -0.006) 9.095 5.525 ( -8.023 4.781 0.034) 9.339 6.181 ( 4.199 -2.675 0.116) 4.980 6.186 ( 4.407 -2.426 0.016) 5.031 6.250 ( -0.216 1.141 0.189) 1.177 6.257 ( -0.361 1.186 -0.147) 1.248 6.355 ( -2.618 1.114 0.003) 2.845 6.358 ( -2.338 1.000 -0.043) 2.543 6.568 ( 2.351 -1.244 1.194) 2.916 6.588 ( 2.817 -1.512 -0.998) 3.349 7.177 ( -0.161 -0.405 0.072) 0.442 7.178 ( -0.237 -0.342 -0.039) 0.418 7.372 ( -3.401 2.283 0.984) 4.212 7.401 ( -3.860 2.401 -1.042) 4.663 7.657 ( 1.844 -1.238 -0.145) 2.226 7.677 ( 1.712 -0.695 0.150) 1.854 ======================= Grid point 24 (18/125) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -6.828 1.981 0.095) 7.110 1.013 ( -9.885 3.646 -0.268) 10.540 1.065 ( -8.141 3.406 0.194) 8.827 1.198 ( -12.401 6.168 0.208) 13.852 1.566 ( -0.354 -1.015 0.044) 1.076 1.584 ( 13.369 -4.616 0.123) 14.144 1.605 ( 1.283 -1.612 0.706) 2.177 1.624 ( 2.709 -3.236 -1.227) 4.395 1.659 ( 0.559 -1.274 -0.067) 1.393 1.713 ( 0.507 -0.294 1.127) 1.270 1.730 ( -0.109 -0.353 -1.566) 1.609 1.815 ( 9.822 -3.573 0.233) 10.454 1.938 ( 2.695 0.011 2.955) 3.999 1.961 ( -0.191 0.274 -2.001) 2.029 2.004 ( 0.333 -0.659 0.163) 0.756 2.058 ( -1.018 0.087 -0.177) 1.036 2.080 ( -4.955 2.907 3.129) 6.541 2.100 ( -7.794 3.268 -0.451) 8.463 2.130 ( -2.177 1.449 -3.065) 4.029 2.300 ( -1.481 1.837 0.103) 2.362 2.511 ( 2.190 0.334 0.470) 2.265 2.532 ( 0.693 -1.141 -0.390) 1.390 2.651 ( 9.576 -4.731 -0.112) 10.681 2.668 ( -3.945 1.851 0.081) 4.358 2.673 ( -3.898 1.737 -0.053) 4.268 2.706 ( 5.726 -4.694 0.125) 7.405 2.840 ( 6.635 -3.908 0.033) 7.701 2.844 ( 6.615 -3.089 -0.037) 7.301 3.502 ( -0.680 -0.065 -0.051) 0.685 3.516 ( 0.502 0.412 0.048) 0.651 4.521 ( -0.468 0.649 0.007) 0.800 4.524 ( -0.137 0.565 0.002) 0.581 4.904 ( -3.407 2.287 0.003) 4.103 4.915 ( -3.713 2.211 0.015) 4.322 5.256 ( 1.582 -0.919 0.069) 1.831 5.260 ( 1.235 -0.119 -0.062) 1.242 5.273 ( -0.659 -0.498 -0.011) 0.826 5.273 ( -0.275 -1.515 -0.020) 1.540 5.684 ( -4.915 2.815 -0.008) 5.664 5.689 ( -5.015 2.765 0.001) 5.727 6.063 ( 4.154 -2.370 0.036) 4.783 6.069 ( 4.172 -2.150 0.024) 4.694 6.269 ( -0.409 0.370 0.036) 0.553 6.280 ( -0.550 0.607 -0.030) 0.819 6.414 ( -2.077 1.036 -0.018) 2.321 6.417 ( -2.183 1.174 -0.005) 2.479 6.519 ( 2.050 -1.167 0.281) 2.376 6.529 ( 1.805 -0.973 -0.231) 2.063 7.175 ( -0.003 -0.208 0.024) 0.210 7.179 ( -0.099 -0.043 -0.017) 0.110 7.438 ( -1.417 0.775 0.253) 1.635 7.476 ( -2.448 1.526 -0.261) 2.897 7.618 ( 0.860 -0.823 -0.072) 1.193 7.639 ( 1.619 -0.589 0.080) 1.724 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 8.821 -3.441 0.000) 9.468 1.032 ( 1.709 -2.018 0.000) 2.644 1.046 ( 13.043 -5.269 0.000) 14.067 1.185 ( 13.568 -5.086 0.000) 14.490 1.565 ( -7.698 6.788 -0.000) 10.263 1.566 ( -0.711 -0.263 0.000) 0.758 1.612 ( -4.572 1.029 -0.000) 4.686 1.661 ( -1.589 0.099 -0.000) 1.592 1.669 ( -4.268 -0.181 -0.000) 4.272 1.694 ( -0.246 1.336 -0.000) 1.359 1.773 ( -5.088 2.326 -0.000) 5.595 1.794 ( -7.361 4.508 -0.000) 8.632 1.870 ( 6.955 -3.340 0.000) 7.715 1.969 ( -1.367 -0.426 0.000) 1.432 1.987 ( 2.005 0.365 -0.000) 2.037 2.010 ( -0.318 -0.524 0.000) 0.613 2.064 ( -0.202 -0.316 0.000) 0.375 2.119 ( 11.921 -6.907 0.000) 13.777 2.232 ( 0.262 0.147 -0.000) 0.300 2.277 ( -0.299 0.071 -0.000) 0.307 2.502 ( -2.508 -0.940 0.000) 2.678 2.536 ( -1.936 1.455 -0.000) 2.422 2.661 ( 2.248 -0.516 0.000) 2.306 2.667 ( -4.902 1.971 -0.000) 5.284 2.676 ( 2.193 -1.359 0.000) 2.580 2.694 ( -5.905 4.487 -0.000) 7.417 2.838 ( -6.871 3.247 -0.000) 7.599 2.847 ( -6.335 3.799 -0.000) 7.387 3.508 ( 0.640 0.021 0.000) 0.641 3.511 ( -0.551 -0.496 0.000) 0.741 4.521 ( 0.458 -0.695 0.000) 0.832 4.524 ( 0.211 -0.528 0.000) 0.569 4.904 ( 3.506 -2.226 0.000) 4.153 4.914 ( 3.689 -2.343 0.000) 4.370 5.254 ( -1.447 0.623 -0.000) 1.576 5.262 ( -1.142 -0.118 -0.000) 1.148 5.274 ( 0.771 0.959 -0.000) 1.230 5.275 ( -0.170 1.649 -0.000) 1.657 5.685 ( 4.878 -2.804 0.000) 5.627 5.689 ( 5.051 -2.817 0.000) 5.784 6.061 ( -4.175 2.004 -0.000) 4.631 6.067 ( -4.014 2.176 -0.000) 4.566 6.267 ( 0.502 -0.624 0.000) 0.801 6.281 ( 0.446 -0.453 0.000) 0.636 6.415 ( 2.109 -1.136 0.000) 2.396 6.417 ( 2.088 -1.100 0.000) 2.360 6.508 ( -1.359 0.644 -0.000) 1.503 6.536 ( -2.367 1.280 -0.000) 2.691 7.174 ( 0.074 0.107 -0.000) 0.130 7.179 ( 0.071 0.130 -0.000) 0.148 7.425 ( 2.140 -1.544 0.000) 2.639 7.490 ( 1.657 -0.854 0.000) 1.864 7.625 ( -1.702 0.497 -0.000) 1.773 7.631 ( -0.828 0.844 -0.000) 1.182 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 0.000 0.000 9.423) 9.423 0.287 ( 0.000 0.000 10.174) 10.174 0.480 ( -0.000 -0.000 -5.234) 5.234 0.492 ( 0.000 0.000 18.677) 18.677 0.531 ( -0.000 -0.000 -6.534) 6.534 0.879 ( -0.000 -0.000 -11.187) 11.187 1.667 ( 0.000 0.000 1.284) 1.284 1.708 ( -0.000 -0.000 -2.100) 2.100 1.779 ( 0.000 0.000 3.179) 3.179 1.855 ( -0.000 -0.000 -1.135) 1.135 1.881 ( 0.000 0.000 1.353) 1.353 1.939 ( 0.000 0.000 2.135) 2.135 1.998 ( -0.000 -0.000 -7.335) 7.335 2.032 ( -0.000 -0.000 -3.801) 3.801 2.162 ( 0.000 0.000 1.134) 1.134 2.176 ( 0.000 0.000 0.165) 0.165 2.311 ( 0.000 0.000 2.666) 2.666 2.341 ( 0.000 0.000 1.008) 1.008 2.382 ( 0.000 0.000 0.068) 0.068 2.384 ( -0.000 -0.000 -0.043) 0.043 2.617 ( -0.000 -0.000 -0.657) 0.657 2.618 ( -0.000 -0.000 -0.995) 0.995 2.647 ( 0.000 0.000 1.188) 1.188 2.675 ( -0.000 -0.000 -0.765) 0.765 3.306 ( 0.000 0.000 0.060) 0.060 3.307 ( -0.000 -0.000 -0.026) 0.026 3.334 ( 0.000 0.000 0.075) 0.075 3.337 ( -0.000 -0.000 -0.118) 0.118 3.609 ( 0.000 0.000 1.084) 1.084 3.637 ( -0.000 -0.000 -0.973) 0.973 4.428 ( 0.000 0.000 0.124) 0.124 4.429 ( 0.000 0.000 0.047) 0.047 4.435 ( 0.000 0.000 0.172) 0.172 4.439 ( -0.000 -0.000 -0.185) 0.185 5.085 ( 0.000 0.000 0.215) 0.215 5.091 ( -0.000 -0.000 -0.246) 0.246 5.102 ( 0.000 0.000 0.145) 0.145 5.106 ( -0.000 -0.000 -0.201) 0.201 5.488 ( 0.000 0.000 0.337) 0.337 5.496 ( -0.000 -0.000 -0.270) 0.270 6.131 ( 0.000 0.000 0.177) 0.177 6.137 ( -0.000 -0.000 -0.295) 0.295 6.157 ( 0.000 0.000 0.608) 0.608 6.174 ( -0.000 -0.000 -0.630) 0.630 6.505 ( -0.000 -0.000 -0.060) 0.060 6.511 ( -0.000 -0.000 -0.566) 0.566 6.739 ( 0.000 0.000 0.421) 0.421 6.754 ( -0.000 -0.000 -0.653) 0.653 7.144 ( 0.000 0.000 0.497) 0.497 7.158 ( -0.000 -0.000 -0.525) 0.525 7.184 ( 0.000 0.000 0.380) 0.380 7.193 ( -0.000 -0.000 -0.296) 0.296 7.726 ( 0.000 0.000 0.451) 0.451 7.738 ( -0.000 -0.000 -0.409) 0.409 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( -1.734 2.096 9.572) 9.951 0.411 ( -4.832 4.131 7.303) 9.682 0.540 ( -5.006 5.089 -4.559) 8.470 0.590 ( -2.495 2.366 -9.672) 10.265 0.751 ( -16.308 7.792 7.972) 19.753 0.865 ( -8.405 3.180 -4.787) 10.182 1.667 ( 0.639 -0.527 1.168) 1.432 1.706 ( -0.000 0.808 -1.777) 1.952 1.752 ( 3.691 -3.643 1.971) 5.548 1.834 ( 3.095 0.413 0.860) 3.239 1.843 ( 0.310 -3.317 0.318) 3.347 1.873 ( 0.369 1.320 -2.681) 3.011 1.976 ( -0.576 -0.921 2.470) 2.698 2.086 ( -0.096 1.529 -3.283) 3.622 2.159 ( 0.502 -1.147 1.148) 1.699 2.203 ( -1.673 -0.530 -3.273) 3.714 2.297 ( 2.011 -1.270 1.459) 2.790 2.320 ( 1.731 -0.150 0.935) 1.973 2.397 ( -1.224 0.834 0.060) 1.482 2.398 ( -1.224 0.869 -0.060) 1.503 2.559 ( 4.400 -3.231 -0.519) 5.483 2.567 ( 6.117 -2.979 -0.683) 6.838 2.618 ( 0.913 -1.867 0.278) 2.097 2.649 ( 1.843 0.098 -0.114) 1.849 3.266 ( 3.913 -1.208 0.016) 4.095 3.270 ( 3.850 -0.906 0.019) 3.955 3.306 ( 1.962 -2.576 -0.056) 3.239 3.313 ( 1.943 -2.057 0.027) 2.830 3.566 ( 3.242 -2.781 0.635) 4.318 3.591 ( 2.902 -1.570 -0.574) 3.349 4.439 ( -0.380 1.222 0.031) 1.280 4.444 ( -0.324 1.700 0.110) 1.734 4.487 ( -4.571 1.809 0.071) 4.917 4.491 ( -4.478 2.008 0.031) 4.908 5.113 ( -1.827 1.355 0.190) 2.282 5.117 ( -1.789 1.359 -0.193) 2.255 5.160 ( -5.147 2.749 0.244) 5.840 5.164 ( -5.112 2.759 -0.198) 5.812 5.469 ( 1.504 -1.595 0.018) 2.192 5.474 ( 1.426 -1.251 -0.033) 1.897 6.149 ( -1.153 1.209 0.185) 1.681 6.157 ( -1.227 1.618 -0.241) 2.045 6.183 ( -2.216 0.511 0.449) 2.318 6.193 ( -2.083 0.707 -0.460) 2.247 6.466 ( 3.209 -1.733 0.002) 3.647 6.469 ( 3.311 -1.744 -0.326) 3.757 6.686 ( 3.163 -1.702 2.520) 4.388 6.718 ( 2.488 -1.339 -1.428) 3.165 7.170 ( -1.529 -1.253 0.181) 1.985 7.174 ( -1.380 -0.998 -0.220) 1.717 7.210 ( -1.469 2.539 0.108) 2.935 7.215 ( -2.259 3.141 -0.634) 3.920 7.721 ( 0.581 -0.414 0.383) 0.809 7.728 ( 0.683 -0.260 -0.352) 0.811 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -5.986 -0.288 1.661) 6.219 0.533 ( -7.598 3.644 -1.131) 8.502 0.654 ( -8.216 3.204 0.440) 8.830 0.706 ( -8.284 5.888 -1.768) 10.316 1.183 ( -18.699 9.914 0.681) 21.176 1.196 ( -17.688 9.713 0.419) 20.184 1.646 ( 1.108 -0.893 0.417) 1.483 1.677 ( 1.377 -1.718 0.446) 2.246 1.705 ( 0.828 0.455 1.080) 1.435 1.780 ( 1.208 0.405 -2.303) 2.632 1.827 ( 0.320 -2.806 2.225) 3.596 1.858 ( 1.599 -1.623 -2.036) 3.055 1.968 ( 0.686 -0.878 1.121) 1.580 2.053 ( 4.012 0.909 -1.129) 4.266 2.125 ( 2.012 -2.884 0.422) 3.542 2.175 ( 1.847 -1.876 -0.660) 2.714 2.253 ( 2.083 -1.465 0.914) 2.706 2.287 ( 2.589 -1.142 0.629) 2.899 2.353 ( 10.561 -5.991 -1.039) 12.186 2.399 ( 8.595 -5.276 -0.425) 10.094 2.447 ( -3.001 1.800 0.057) 3.500 2.449 ( -3.230 1.817 -0.055) 3.706 2.587 ( 1.282 -0.994 0.023) 1.622 2.609 ( 2.903 0.250 0.006) 2.913 3.154 ( 6.703 -2.036 0.018) 7.006 3.159 ( 6.616 -2.336 -0.000) 7.016 3.190 ( 7.405 -6.774 0.015) 10.036 3.192 ( 6.791 -5.844 -0.001) 8.960 3.498 ( 1.222 -1.164 -0.023) 1.687 3.536 ( 1.820 -0.174 0.031) 1.829 4.465 ( -0.786 1.764 0.011) 1.931 4.474 ( -0.714 2.074 0.042) 2.194 4.616 ( -6.768 3.360 0.107) 7.557 4.619 ( -6.779 3.333 -0.003) 7.554 5.170 ( -2.765 1.497 0.075) 3.145 5.172 ( -2.726 1.492 -0.076) 3.109 5.311 ( -7.080 3.715 0.007) 7.996 5.319 ( -7.370 4.026 0.011) 8.398 5.415 ( 1.720 -1.965 -0.046) 2.612 5.429 ( 1.475 -1.561 0.020) 2.147 6.190 ( -1.640 1.325 0.245) 2.122 6.195 ( -1.432 1.141 -0.249) 1.848 6.238 ( -2.152 1.201 0.045) 2.465 6.247 ( -2.168 1.374 -0.026) 2.567 6.372 ( 4.159 -2.375 -0.030) 4.789 6.377 ( 3.966 -2.152 -0.020) 4.512 6.631 ( 2.611 -1.384 1.988) 3.562 6.647 ( 2.818 -1.488 -1.723) 3.623 7.177 ( -0.447 -0.634 0.096) 0.781 7.178 ( -0.469 -0.741 -0.074) 0.880 7.288 ( -3.501 2.767 0.836) 4.540 7.300 ( -3.913 2.873 -0.982) 4.953 7.697 ( 1.417 -0.930 0.013) 1.695 7.708 ( 1.160 -0.440 -0.002) 1.240 ======================= Grid point 33 (23/125) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -16.451 3.238 -0.000) 16.766 0.781 ( -12.552 4.247 -0.000) 13.251 0.880 ( -12.791 6.022 -0.000) 14.138 0.907 ( -7.976 5.102 -0.000) 9.469 1.530 ( -7.079 2.815 -0.000) 7.618 1.558 ( -11.802 5.817 -0.000) 13.157 1.621 ( 1.052 -0.150 0.000) 1.063 1.678 ( 0.990 0.700 -0.000) 1.213 1.724 ( -5.550 0.682 -0.000) 5.592 1.764 ( 4.540 -2.845 0.000) 5.358 1.806 ( -2.801 0.033 -0.000) 2.801 1.823 ( -5.282 4.840 -0.000) 7.164 1.930 ( 5.746 -3.751 0.000) 6.863 1.971 ( 4.795 -0.930 0.000) 4.884 2.028 ( 9.513 -6.034 0.000) 11.266 2.047 ( 3.688 -1.476 0.000) 3.973 2.119 ( 2.754 -2.558 0.000) 3.758 2.157 ( 10.375 -5.923 0.000) 11.946 2.204 ( 3.300 -1.887 0.000) 3.801 2.281 ( 0.889 0.780 -0.000) 1.183 2.536 ( -3.217 2.221 -0.000) 3.909 2.545 ( -4.792 2.770 -0.000) 5.535 2.558 ( 2.878 0.310 0.000) 2.895 2.559 ( -0.555 -0.476 0.000) 0.731 2.947 ( 10.912 -7.510 0.000) 13.246 2.956 ( 12.230 -6.983 0.000) 14.083 3.003 ( 7.028 -3.718 0.000) 7.951 3.004 ( 7.031 -4.234 0.000) 8.207 3.491 ( -0.453 0.026 -0.000) 0.454 3.520 ( 0.634 0.592 -0.000) 0.868 4.497 ( -0.869 1.529 -0.000) 1.758 4.506 ( -0.626 1.644 -0.000) 1.759 4.775 ( -6.737 3.891 -0.000) 7.780 4.781 ( -7.010 3.839 -0.000) 7.993 5.230 ( -2.239 1.225 -0.000) 2.553 5.232 ( -2.170 1.363 -0.000) 2.562 5.329 ( 2.289 -3.333 0.000) 4.043 5.337 ( 2.265 -3.143 0.000) 3.874 5.522 ( -7.778 4.696 -0.000) 9.085 5.525 ( -8.025 4.781 -0.000) 9.341 6.181 ( 4.210 -2.735 0.000) 5.021 6.186 ( 4.355 -2.377 0.000) 4.962 6.251 ( -0.251 1.147 -0.000) 1.174 6.256 ( -0.317 1.164 -0.000) 1.206 6.355 ( -2.634 1.125 -0.000) 2.864 6.358 ( -2.325 0.988 -0.000) 2.526 6.576 ( 2.606 -1.467 0.000) 2.991 6.581 ( 2.580 -1.318 0.000) 2.897 7.177 ( -0.189 -0.441 0.000) 0.480 7.177 ( -0.206 -0.307 0.000) 0.370 7.378 ( -3.361 2.151 -0.000) 3.990 7.395 ( -3.927 2.535 -0.000) 4.674 7.656 ( 1.855 -1.254 0.000) 2.239 7.677 ( 1.700 -0.685 0.000) 1.833 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 0.000 7.168) 7.168 0.355 ( 0.000 0.000 4.463) 4.463 0.442 ( -0.000 -0.000 -2.037) 2.037 0.473 ( -0.000 -0.000 -6.992) 6.992 0.641 ( 0.000 0.000 16.981) 16.981 0.772 ( -0.000 -0.000 -14.453) 14.453 1.678 ( 0.000 0.000 1.515) 1.515 1.692 ( -0.000 -0.000 -1.783) 1.783 1.807 ( 0.000 0.000 3.563) 3.563 1.836 ( -0.000 -0.000 -3.181) 3.181 1.902 ( 0.000 0.000 3.759) 3.759 1.942 ( -0.000 -0.000 -5.981) 5.981 1.965 ( 0.000 0.000 3.858) 3.858 1.999 ( -0.000 -0.000 -4.106) 4.106 2.170 ( 0.000 0.000 0.837) 0.837 2.175 ( -0.000 -0.000 -0.364) 0.364 2.331 ( 0.000 0.000 1.962) 1.962 2.342 ( -0.000 -0.000 -0.637) 0.637 2.383 ( 0.000 0.000 0.068) 0.068 2.383 ( -0.000 -0.000 -0.058) 0.058 2.612 ( -0.000 -0.000 -0.325) 0.325 2.612 ( -0.000 -0.000 -0.314) 0.314 2.657 ( 0.000 0.000 1.260) 1.260 2.667 ( -0.000 -0.000 -1.112) 1.112 3.306 ( 0.000 0.000 0.058) 0.058 3.307 ( -0.000 -0.000 -0.045) 0.045 3.335 ( 0.000 0.000 0.103) 0.103 3.336 ( -0.000 -0.000 -0.119) 0.119 3.619 ( 0.000 0.000 1.188) 1.188 3.629 ( -0.000 -0.000 -1.145) 1.145 4.429 ( 0.000 0.000 0.092) 0.092 4.429 ( -0.000 -0.000 -0.029) 0.029 4.436 ( 0.000 0.000 0.186) 0.186 4.438 ( -0.000 -0.000 -0.186) 0.186 5.087 ( 0.000 0.000 0.256) 0.256 5.089 ( -0.000 -0.000 -0.268) 0.268 5.103 ( 0.000 0.000 0.184) 0.184 5.105 ( -0.000 -0.000 -0.207) 0.207 5.491 ( 0.000 0.000 0.359) 0.359 5.494 ( -0.000 -0.000 -0.332) 0.332 6.132 ( 0.000 0.000 0.224) 0.224 6.134 ( -0.000 -0.000 -0.262) 0.262 6.163 ( 0.000 0.000 0.674) 0.674 6.168 ( -0.000 -0.000 -0.691) 0.691 6.505 ( 0.000 0.000 0.158) 0.158 6.507 ( -0.000 -0.000 -0.405) 0.405 6.743 ( 0.000 0.000 0.562) 0.562 6.748 ( -0.000 -0.000 -0.653) 0.653 7.149 ( 0.000 0.000 0.574) 0.574 7.153 ( -0.000 -0.000 -0.584) 0.584 7.187 ( 0.000 0.000 0.399) 0.399 7.190 ( -0.000 -0.000 -0.366) 0.366 7.730 ( 0.000 0.000 0.497) 0.497 7.734 ( -0.000 -0.000 -0.480) 0.480 ======================= Grid point 42 (25/125) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -3.548 2.497 -0.000) 4.338 0.460 ( -0.811 3.208 -0.000) 3.309 0.515 ( -5.021 4.583 -0.000) 6.798 0.530 ( -2.956 3.167 -0.000) 4.332 0.807 ( -12.732 4.756 -0.000) 13.591 0.823 ( -12.589 6.032 -0.000) 13.960 1.673 ( 0.758 -0.881 0.000) 1.163 1.697 ( -0.134 1.257 -0.000) 1.264 1.761 ( 3.574 -4.373 0.000) 5.648 1.838 ( 4.673 -1.296 0.000) 4.849 1.852 ( -0.939 1.759 -0.000) 1.994 1.853 ( 0.471 -1.297 0.000) 1.380 1.990 ( -0.983 -2.786 0.000) 2.955 2.069 ( -0.630 3.429 -0.000) 3.487 2.165 ( -0.124 -1.935 0.000) 1.939 2.188 ( -0.654 0.115 -0.000) 0.664 2.304 ( 2.208 -1.523 0.000) 2.682 2.324 ( 1.630 0.136 0.000) 1.636 2.397 ( -1.276 0.794 -0.000) 1.502 2.397 ( -1.179 0.900 -0.000) 1.483 2.556 ( 4.424 -3.134 0.000) 5.421 2.564 ( 6.224 -2.819 0.000) 6.833 2.619 ( 0.995 -2.214 0.000) 2.428 2.648 ( 1.700 0.150 0.000) 1.707 3.266 ( 3.890 -1.256 0.000) 4.088 3.271 ( 3.868 -0.862 0.000) 3.963 3.306 ( 1.968 -2.594 0.000) 3.256 3.313 ( 1.932 -2.032 0.000) 2.804 3.569 ( 3.479 -3.031 0.000) 4.615 3.588 ( 2.670 -1.325 0.000) 2.980 4.439 ( -0.387 1.201 -0.000) 1.262 4.445 ( -0.321 1.695 -0.000) 1.725 4.487 ( -4.626 1.789 -0.000) 4.960 4.491 ( -4.465 2.083 -0.000) 4.926 5.114 ( -1.788 1.382 -0.000) 2.260 5.116 ( -1.826 1.345 -0.000) 2.268 5.162 ( -5.061 2.622 -0.000) 5.700 5.162 ( -5.204 2.877 -0.000) 5.947 5.469 ( 1.594 -1.630 0.000) 2.279 5.474 ( 1.359 -1.203 0.000) 1.815 6.150 ( -1.176 1.166 -0.000) 1.656 6.156 ( -1.210 1.677 -0.000) 2.067 6.185 ( -2.118 0.316 -0.000) 2.142 6.191 ( -2.191 0.888 -0.000) 2.364 6.466 ( 3.262 -1.776 0.000) 3.714 6.467 ( 3.208 -1.687 0.000) 3.625 6.703 ( 2.836 -1.588 0.000) 3.251 6.705 ( 2.797 -1.453 0.000) 3.151 7.171 ( -1.547 -1.136 0.000) 1.920 7.173 ( -1.435 -1.101 0.000) 1.809 7.211 ( -1.922 2.859 -0.000) 3.445 7.212 ( -1.729 2.815 -0.000) 3.304 7.723 ( 0.714 -0.471 0.000) 0.856 7.726 ( 0.550 -0.202 0.000) 0.586 ======================= Grid point 86 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.102 ( 0.000 8.705 -0.000) 8.705 0.298 ( 0.000 14.486 -0.000) 14.486 0.558 ( 0.000 27.511 -0.000) 27.511 0.681 ( 0.000 5.879 -0.000) 5.879 0.745 ( 0.000 16.460 -0.000) 16.460 0.914 ( -0.000 -8.865 0.000) 8.865 1.647 ( -0.000 -0.598 0.000) 0.598 1.724 ( -0.000 -4.389 0.000) 4.389 1.736 ( -0.000 -0.023 0.000) 0.023 1.760 ( 0.000 0.000 -0.000) 0.000 1.852 ( 0.000 0.706 -0.000) 0.706 1.900 ( 0.000 1.196 -0.000) 1.196 2.071 ( -0.000 -2.038 0.000) 2.038 2.124 ( -0.000 -1.712 0.000) 1.712 2.133 ( -0.000 -2.650 0.000) 2.650 2.205 ( -0.000 -4.312 0.000) 4.312 2.265 ( -0.000 -0.159 0.000) 0.159 2.307 ( 0.000 0.126 -0.000) 0.126 2.397 ( 0.000 1.616 -0.000) 1.616 2.400 ( 0.000 1.597 -0.000) 1.597 2.573 ( -0.000 -5.580 0.000) 5.580 2.575 ( -0.000 -6.098 0.000) 6.098 2.613 ( -0.000 -1.530 0.000) 1.530 2.658 ( -0.000 -2.122 0.000) 2.122 3.289 ( -0.000 -2.217 0.000) 2.217 3.290 ( -0.000 -4.172 0.000) 4.172 3.291 ( -0.000 -1.905 0.000) 1.905 3.295 ( -0.000 -4.184 0.000) 4.184 3.535 ( -0.000 -5.162 0.000) 5.162 3.595 ( -0.000 -4.953 0.000) 4.953 4.440 ( 0.000 0.684 -0.000) 0.684 4.449 ( 0.000 0.649 -0.000) 0.649 4.487 ( 0.000 5.749 -0.000) 5.749 4.488 ( 0.000 5.712 -0.000) 5.712 5.115 ( 0.000 2.348 -0.000) 2.348 5.132 ( 0.000 2.139 -0.000) 2.139 5.148 ( 0.000 6.271 -0.000) 6.271 5.161 ( 0.000 6.293 -0.000) 6.293 5.457 ( -0.000 -2.422 0.000) 2.422 5.468 ( -0.000 -2.898 0.000) 2.898 6.155 ( 0.000 0.819 -0.000) 0.819 6.162 ( 0.000 3.081 -0.000) 3.081 6.179 ( 0.000 3.174 -0.000) 3.174 6.191 ( 0.000 0.693 -0.000) 0.693 6.470 ( -0.000 -3.564 0.000) 3.564 6.481 ( -0.000 -3.791 0.000) 3.791 6.606 ( -0.000 -0.593 0.000) 0.593 6.741 ( -0.000 -2.195 0.000) 2.195 7.139 ( 0.000 0.131 -0.000) 0.131 7.165 ( -0.000 -0.036 0.000) 0.036 7.223 ( 0.000 2.492 -0.000) 2.492 7.263 ( 0.000 3.069 -0.000) 3.069 7.711 ( -0.000 -0.865 0.000) 0.865 7.738 ( -0.000 -0.476 0.000) 0.476 ======================= Grid point 87 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -8.059 10.699 1.709) 13.503 0.457 ( -3.560 12.430 1.344) 12.999 0.751 ( 4.926 -4.176 -2.370) 6.880 0.761 ( -1.118 6.376 -0.472) 6.490 0.988 ( -14.702 22.022 0.652) 26.487 1.034 ( -10.806 15.929 0.709) 19.261 1.626 ( 0.953 -1.312 0.352) 1.659 1.655 ( 2.450 -2.286 0.600) 3.404 1.743 ( -0.049 -0.968 -0.439) 1.063 1.750 ( 0.601 -1.080 0.241) 1.259 1.845 ( 0.856 -0.903 -0.118) 1.250 1.941 ( -2.627 0.825 -0.824) 2.874 1.982 ( 4.894 -0.565 -1.158) 5.061 2.082 ( 1.592 -3.054 0.307) 3.458 2.103 ( 0.877 -2.582 0.420) 2.759 2.184 ( -0.948 -6.251 0.161) 6.325 2.252 ( 1.125 -0.691 1.018) 1.667 2.275 ( 2.387 -2.236 -0.600) 3.326 2.433 ( -1.307 2.165 -0.035) 2.529 2.435 ( 0.415 0.199 0.033) 0.461 2.453 ( 4.642 -7.612 0.014) 8.915 2.460 ( 2.966 -5.113 -0.173) 5.913 2.599 ( -0.082 -2.291 -0.475) 2.341 2.628 ( 0.818 -2.175 -0.070) 2.325 3.171 ( 4.967 -8.288 -0.000) 9.662 3.173 ( 5.005 -8.115 0.002) 9.534 3.272 ( 1.745 -1.969 0.007) 2.631 3.274 ( 1.888 -1.463 0.001) 2.388 3.471 ( 0.563 -5.232 0.096) 5.263 3.527 ( 1.131 -5.016 -0.063) 5.142 4.464 ( -1.460 1.144 0.005) 1.855 4.473 ( -1.371 1.225 -0.000) 1.839 4.576 ( -2.562 7.208 0.154) 7.651 4.577 ( -2.893 6.821 0.071) 7.410 5.156 ( -1.391 3.222 0.074) 3.510 5.171 ( -1.248 3.178 -0.060) 3.414 5.260 ( -4.112 7.187 0.016) 8.281 5.269 ( -3.939 7.098 -0.005) 8.118 5.421 ( 1.102 -3.114 -0.184) 3.308 5.422 ( 1.068 -3.144 0.219) 3.328 6.175 ( -1.040 1.149 0.088) 1.553 6.202 ( -0.548 1.390 -0.118) 1.499 6.214 ( -1.877 3.246 0.061) 3.750 6.232 ( -1.739 3.009 -0.058) 3.475 6.404 ( 2.592 -4.367 -0.037) 5.078 6.410 ( 2.826 -4.549 -0.085) 5.356 6.594 ( 0.763 -0.942 0.686) 1.393 6.698 ( 1.715 -2.738 -0.255) 3.240 7.152 ( -1.066 -0.228 0.055) 1.092 7.167 ( -0.278 -0.302 -0.055) 0.414 7.265 ( -1.420 3.401 0.099) 3.687 7.311 ( -1.669 3.951 -0.309) 4.300 7.697 ( 0.397 -1.258 0.102) 1.323 7.724 ( 0.881 -0.753 -0.082) 1.162 ======================= Grid point 88 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -11.884 9.940 -3.077) 15.796 0.668 ( -3.422 8.925 0.023) 9.558 0.686 ( -7.517 5.201 3.187) 9.680 0.896 ( -4.319 7.576 -0.955) 8.773 1.399 ( -12.882 12.981 0.369) 18.291 1.464 ( -15.362 16.203 -1.100) 22.355 1.599 ( 0.462 -0.687 0.565) 1.002 1.617 ( 0.642 -0.239 2.512) 2.604 1.716 ( 0.845 -0.590 -0.907) 1.373 1.726 ( 1.131 -1.734 0.340) 2.098 1.809 ( 1.506 -1.722 0.833) 2.435 1.873 ( 5.510 -2.172 -0.688) 5.962 1.963 ( -0.052 -1.061 -3.386) 3.549 2.029 ( 1.440 -2.567 3.103) 4.278 2.048 ( 2.455 -3.317 0.939) 4.232 2.114 ( 1.223 -6.036 -2.019) 6.481 2.143 ( 8.570 -6.056 -0.751) 10.521 2.197 ( 5.250 -4.386 2.326) 7.226 2.289 ( 3.395 -4.501 -1.344) 5.795 2.305 ( 2.594 -4.219 0.556) 4.984 2.509 ( -3.254 4.033 0.033) 5.182 2.516 ( -2.503 4.551 -0.102) 5.195 2.563 ( 0.646 -2.830 -0.976) 3.062 2.584 ( 1.527 -2.226 0.179) 2.705 2.966 ( 6.425 -11.697 -0.165) 13.346 2.972 ( 6.460 -11.181 0.176) 12.914 3.172 ( 8.430 -0.053 -0.061) 8.431 3.176 ( 8.517 0.394 0.108) 8.526 3.435 ( -2.586 -5.627 -0.102) 6.193 3.478 ( -1.509 -5.241 0.082) 5.455 4.502 ( -1.036 1.701 -0.046) 1.992 4.511 ( -0.993 1.705 0.088) 1.975 4.717 ( -5.046 6.947 0.117) 8.587 4.719 ( -5.263 6.458 0.071) 8.331 5.220 ( -1.737 3.397 0.076) 3.816 5.230 ( -1.384 3.505 -0.083) 3.769 5.328 ( 1.758 -2.808 0.074) 3.313 5.341 ( 1.432 -2.715 -0.090) 3.070 5.452 ( -5.914 5.925 0.049) 8.372 5.454 ( -5.821 5.843 0.012) 8.248 6.194 ( 0.380 -1.169 0.066) 1.231 6.211 ( 1.128 -1.611 -0.081) 1.968 6.266 ( 0.324 1.204 0.100) 1.251 6.278 ( 0.555 1.334 -0.054) 1.446 6.331 ( -0.366 -0.657 -0.068) 0.755 6.337 ( -0.514 -0.481 0.003) 0.704 6.567 ( 1.387 -1.211 0.611) 1.940 6.631 ( 2.486 -2.682 -0.401) 3.679 7.166 ( -0.714 -0.229 -0.001) 0.749 7.168 ( -0.247 -0.296 0.026) 0.386 7.336 ( -2.391 3.508 0.338) 4.259 7.389 ( -2.804 3.572 -0.468) 4.565 7.671 ( 0.964 -1.634 0.036) 1.897 7.693 ( 1.576 -1.060 -0.027) 1.900 ======================= Grid point 89 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -12.769 10.465 -1.820) 16.610 0.897 ( -8.650 7.090 -0.461) 11.194 1.000 ( -14.326 10.053 2.654) 17.702 1.035 ( -3.681 5.753 -0.304) 6.836 1.564 ( 0.339 -0.704 -0.623) 0.999 1.591 ( 0.750 -1.196 1.443) 2.018 1.635 ( 0.274 -2.073 -2.152) 3.000 1.683 ( 1.030 -0.684 -0.924) 1.544 1.715 ( -1.239 2.596 -0.636) 2.946 1.730 ( 4.685 -1.946 0.569) 5.105 1.799 ( -0.546 1.353 2.361) 2.776 1.868 ( 7.842 -4.597 -0.916) 9.136 1.920 ( 0.758 -0.625 0.751) 1.237 1.939 ( -5.667 1.701 0.075) 5.917 1.950 ( -1.200 2.787 0.606) 3.095 2.003 ( 0.149 -2.240 2.412) 3.295 2.036 ( 1.578 -1.459 -0.824) 2.302 2.066 ( 2.309 -3.482 0.053) 4.179 2.214 ( 1.516 -1.871 -2.629) 3.565 2.281 ( -0.496 -0.257 0.889) 1.050 2.511 ( 0.491 -3.917 -1.035) 4.081 2.532 ( 0.865 -2.997 0.195) 3.125 2.632 ( -4.410 6.101 -0.027) 7.528 2.633 ( -3.730 5.813 -0.007) 6.906 2.727 ( 6.843 -11.349 0.164) 13.253 2.738 ( 7.038 -9.774 -0.131) 12.045 2.997 ( 11.088 0.328 0.068) 11.093 3.002 ( 11.306 0.703 -0.027) 11.327 3.434 ( -3.776 -5.985 -0.211) 7.079 3.464 ( -2.792 -5.767 0.122) 6.409 4.529 ( -0.129 1.496 -0.035) 1.502 4.536 ( 0.069 1.400 0.078) 1.404 4.871 ( -4.471 5.501 0.059) 7.090 4.874 ( -4.932 5.236 0.026) 7.193 5.254 ( 1.220 -3.356 0.066) 3.572 5.266 ( 1.222 -2.984 -0.158) 3.229 5.280 ( -0.094 2.795 0.062) 2.798 5.286 ( 0.225 2.723 -0.042) 2.733 5.625 ( -6.158 5.411 -0.017) 8.197 5.626 ( -6.258 5.312 0.022) 8.209 6.105 ( 4.379 -4.717 -0.076) 6.436 6.111 ( 4.538 -4.765 0.150) 6.582 6.273 ( -0.069 1.390 0.056) 1.393 6.287 ( -0.049 1.416 -0.067) 1.419 6.385 ( -2.784 1.775 0.007) 3.302 6.388 ( -2.597 1.752 -0.070) 3.133 6.528 ( 1.703 -1.389 0.421) 2.238 6.560 ( 2.464 -2.306 -0.319) 3.389 7.170 ( -0.261 -0.135 0.019) 0.295 7.175 ( -0.374 -0.061 0.011) 0.379 7.413 ( -2.192 2.981 0.490) 3.732 7.467 ( -2.425 2.705 -0.569) 3.677 7.631 ( 1.326 -1.841 -0.323) 2.292 7.651 ( 1.725 -1.330 0.299) 2.198 ======================= Grid point 90 (30/125) ======================= q-point: ( 0.56 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -1.752 3.350 -0.455) 3.808 1.081 ( 3.192 2.636 0.239) 4.147 1.164 ( -3.863 5.138 -1.072) 6.517 1.282 ( -2.087 2.570 0.978) 3.452 1.470 ( 1.037 -2.083 1.015) 2.538 1.569 ( -0.157 0.541 -1.155) 1.285 1.599 ( 0.404 -1.903 -2.281) 2.998 1.612 ( -0.031 0.413 -0.170) 0.448 1.663 ( 0.368 1.431 -0.662) 1.619 1.708 ( -1.864 1.009 0.811) 2.269 1.744 ( 5.019 -1.158 0.971) 5.241 1.777 ( 0.028 0.910 0.241) 0.942 1.867 ( -0.580 -1.860 0.489) 2.009 1.975 ( -0.762 -1.396 1.080) 1.922 1.998 ( -1.536 -0.999 -1.278) 2.234 2.016 ( -1.124 -1.136 -0.677) 1.735 2.059 ( -0.136 -0.896 0.204) 0.929 2.134 ( -0.523 0.563 -0.330) 0.836 2.265 ( 0.969 -0.383 0.356) 1.101 2.274 ( -0.235 -0.169 0.354) 0.457 2.449 ( 0.031 -5.209 -0.729) 5.260 2.495 ( -2.305 -1.035 -0.067) 2.527 2.536 ( -1.121 -6.000 1.168) 6.215 2.605 ( -2.986 -2.410 -1.424) 4.093 2.777 ( 2.185 5.395 -0.044) 5.820 2.783 ( 2.299 5.951 0.001) 6.380 2.826 ( 2.343 3.542 -0.182) 4.250 2.835 ( 2.984 2.718 0.202) 4.041 3.438 ( -3.810 -6.396 -0.256) 7.449 3.454 ( -2.872 -6.160 0.145) 6.799 4.534 ( 0.852 0.596 0.022) 1.040 4.535 ( 1.060 0.524 -0.007) 1.182 4.943 ( 1.424 1.382 0.078) 1.986 4.952 ( 1.101 1.237 -0.105) 1.659 5.226 ( -1.700 -0.951 -0.075) 1.949 5.231 ( -1.646 -1.072 0.030) 1.965 5.305 ( 0.918 2.705 -0.040) 2.857 5.310 ( 1.045 2.911 0.089) 3.094 5.727 ( 0.631 1.262 0.006) 1.411 5.730 ( 0.416 1.190 -0.035) 1.261 6.017 ( -0.766 -2.077 -0.214) 2.224 6.024 ( -0.788 -2.014 0.068) 2.164 6.279 ( 0.665 0.568 -0.154) 0.888 6.293 ( 0.738 0.648 0.088) 0.986 6.431 ( -0.074 0.373 -0.080) 0.389 6.433 ( 0.023 0.352 0.031) 0.354 6.497 ( -0.217 -0.536 -0.054) 0.580 6.512 ( -0.179 -0.751 -0.019) 0.772 7.174 ( -0.239 0.062 -0.053) 0.253 7.179 ( -0.160 0.108 0.058) 0.202 7.456 ( 0.745 1.192 -0.186) 1.418 7.505 ( 0.646 0.926 0.102) 1.134 7.606 ( -0.751 -0.712 -0.388) 1.105 7.620 ( -0.000 -0.823 0.328) 0.886 ======================= Grid point 91 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 15.154 -1.784 -1.826) 15.368 0.983 ( 11.315 -0.515 0.566) 11.341 1.008 ( 8.219 -1.584 -0.766) 8.405 1.094 ( 15.071 -3.458 0.939) 15.491 1.577 ( -0.580 0.764 -0.661) 1.165 1.614 ( -1.432 0.628 0.792) 1.753 1.643 ( -1.412 -0.246 0.703) 1.596 1.671 ( -2.986 0.689 -0.384) 3.088 1.696 ( 0.509 0.959 0.806) 1.352 1.765 ( -10.136 5.184 -2.481) 11.652 1.776 ( 0.803 0.961 -0.226) 1.273 1.857 ( -1.788 0.218 -3.097) 3.583 1.906 ( -7.411 3.676 1.282) 8.371 1.927 ( 13.390 -5.243 0.037) 14.380 1.953 ( -0.425 -2.555 0.855) 2.728 2.003 ( -1.051 -0.753 0.759) 1.499 2.033 ( -2.146 -0.045 -3.058) 3.736 2.066 ( -3.893 0.155 -1.047) 4.035 2.217 ( -2.081 1.770 3.263) 4.256 2.270 ( -0.199 -0.855 0.901) 1.258 2.459 ( -4.254 -3.228 -0.962) 5.426 2.510 ( -2.569 -3.021 0.013) 3.966 2.638 ( 7.787 -0.333 -0.033) 7.795 2.643 ( 7.472 -0.670 0.105) 7.503 2.725 ( -13.829 1.443 -0.232) 13.906 2.748 ( -12.180 0.076 -0.497) 12.190 2.996 ( -5.338 10.299 -0.099) 11.601 3.005 ( -5.329 11.118 0.112) 12.329 3.437 ( -3.566 -6.346 -0.122) 7.280 3.443 ( -3.103 -6.179 0.027) 6.915 4.509 ( 1.728 -0.446 -0.093) 1.787 4.515 ( 1.535 -0.355 0.056) 1.577 4.863 ( 6.326 -1.587 -0.028) 6.522 4.871 ( 6.301 -1.789 -0.073) 6.550 5.261 ( 0.052 0.663 -0.093) 0.671 5.265 ( 0.588 0.803 0.040) 0.996 5.322 ( -1.005 2.633 0.147) 2.822 5.326 ( -1.525 2.493 0.036) 2.923 5.623 ( 7.950 -2.966 -0.007) 8.486 5.627 ( 7.971 -2.998 -0.030) 8.516 6.098 ( -6.677 1.304 -0.311) 6.810 6.104 ( -6.529 1.319 -0.092) 6.662 6.259 ( 1.628 -0.370 -0.268) 1.691 6.273 ( 1.733 -0.238 0.168) 1.757 6.393 ( 2.751 -0.938 -0.011) 2.906 6.394 ( 2.717 -0.944 0.046) 2.877 6.525 ( -2.183 0.509 -0.670) 2.340 6.555 ( -3.180 0.806 0.377) 3.303 7.179 ( -0.197 0.244 -0.086) 0.325 7.183 ( -0.009 0.223 0.062) 0.231 7.407 ( 3.784 -0.890 -0.950) 4.001 7.466 ( 3.696 -0.743 0.899) 3.875 7.633 ( -2.177 0.451 0.009) 2.224 7.645 ( -2.127 0.303 -0.083) 2.150 ======================= Grid point 92 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 11.151 -0.779 -1.064) 11.228 0.709 ( 18.409 -1.881 0.047) 18.504 0.800 ( 10.133 -0.113 -0.096) 10.134 0.877 ( 9.528 -1.428 1.834) 9.808 1.426 ( 18.037 -3.544 -0.693) 18.395 1.464 ( 22.280 -4.780 0.205) 22.788 1.614 ( -0.105 0.299 -2.680) 2.699 1.639 ( 0.158 0.609 -0.347) 0.718 1.680 ( -2.141 -0.483 1.517) 2.668 1.753 ( -2.819 1.244 -2.582) 4.020 1.784 ( -3.041 -0.577 -2.152) 3.770 1.885 ( -1.995 1.936 0.647) 2.855 1.939 ( -1.372 0.259 3.123) 3.421 2.047 ( -3.615 0.694 2.227) 4.302 2.061 ( -3.228 0.340 -2.360) 4.013 2.107 ( -11.613 1.971 -0.950) 11.817 2.145 ( -6.709 2.214 0.060) 7.065 2.176 ( -6.596 -0.288 -1.862) 6.860 2.309 ( -5.732 2.669 2.453) 6.782 2.325 ( -5.955 2.120 1.622) 6.526 2.505 ( -2.810 -1.793 -0.740) 3.414 2.516 ( 3.279 -0.562 -0.335) 3.344 2.519 ( 5.361 -0.096 0.108) 5.363 2.543 ( -2.682 -2.123 -0.310) 3.434 2.966 ( -12.249 -0.410 -0.176) 12.257 2.973 ( -12.883 -0.008 -0.026) 12.883 3.183 ( -4.521 8.133 -0.115) 9.306 3.193 ( -4.123 8.103 0.112) 9.093 3.443 ( -3.611 -4.009 0.103) 5.397 3.451 ( -4.491 -4.645 -0.201) 6.464 4.471 ( 1.671 -0.776 -0.130) 1.847 4.479 ( 1.730 -0.769 0.031) 1.894 4.718 ( 7.860 -1.373 -0.213) 7.982 4.728 ( 7.677 -1.330 0.047) 7.792 5.224 ( 3.625 0.294 -0.030) 3.637 5.228 ( 3.499 0.471 0.055) 3.531 5.382 ( -1.806 1.991 -0.053) 2.689 5.392 ( -1.699 1.788 0.201) 2.474 5.441 ( 8.141 -3.000 -0.042) 8.677 5.443 ( 8.310 -2.889 -0.038) 8.798 6.207 ( -0.046 0.703 -0.208) 0.735 6.219 ( -2.092 1.030 0.016) 2.332 6.228 ( -1.959 -0.748 -0.141) 2.101 6.238 ( -0.306 -0.944 -0.012) 0.992 6.344 ( 0.884 -0.104 -0.007) 0.890 6.348 ( 0.758 -0.136 0.049) 0.772 6.564 ( -2.026 0.315 -0.973) 2.269 6.625 ( -3.585 0.632 0.553) 3.682 7.184 ( 0.124 0.240 -0.019) 0.271 7.185 ( -0.198 0.354 -0.019) 0.406 7.320 ( 4.280 -1.091 -0.728) 4.477 7.384 ( 4.822 -0.918 0.828) 4.978 7.677 ( -2.101 0.403 0.059) 2.140 7.682 ( -1.711 0.222 -0.095) 1.728 ======================= Grid point 93 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 16.279 -0.000 -1.000) 16.309 0.474 ( 11.203 -0.000 -1.638) 11.323 0.716 ( 8.443 0.000 1.768) 8.627 0.745 ( -4.185 0.000 3.949) 5.754 0.984 ( 26.628 -0.000 -2.560) 26.750 1.071 ( 18.643 -0.000 -1.436) 18.698 1.641 ( -2.271 -0.000 -1.199) 2.568 1.646 ( -0.800 -0.000 -0.716) 1.074 1.725 ( -2.137 0.000 1.708) 2.736 1.788 ( -1.783 -0.000 -1.526) 2.347 1.820 ( -1.709 -0.000 -1.274) 2.132 1.924 ( -1.321 0.000 0.125) 1.327 1.951 ( 1.604 0.000 2.494) 2.965 2.101 ( -2.373 -0.000 -1.926) 3.056 2.112 ( -2.521 0.000 1.795) 3.095 2.228 ( -2.558 -0.000 -1.253) 2.848 2.246 ( -3.204 -0.000 -1.340) 3.473 2.277 ( -6.711 0.000 2.580) 7.190 2.432 ( 2.843 -0.000 0.011) 2.843 2.435 ( 2.856 0.000 0.200) 2.863 2.488 ( -7.211 0.000 1.174) 7.306 2.489 ( -8.736 0.000 1.401) 8.847 2.565 ( -3.589 -0.000 -0.863) 3.691 2.586 ( -2.982 -0.000 -0.644) 3.051 3.152 ( -9.001 0.000 -0.130) 9.002 3.165 ( -8.776 0.000 0.049) 8.776 3.286 ( -2.758 0.000 -0.006) 2.758 3.289 ( -2.372 0.000 0.036) 2.373 3.497 ( -4.313 -0.000 -0.217) 4.319 3.521 ( -5.665 0.000 0.102) 5.666 4.441 ( 0.991 -0.000 -0.104) 0.997 4.447 ( 1.274 -0.000 -0.021) 1.274 4.575 ( 7.150 -0.000 -0.304) 7.156 4.589 ( 7.160 -0.000 0.038) 7.160 5.158 ( 3.751 -0.000 -0.041) 3.752 5.166 ( 3.560 0.000 0.099) 3.562 5.264 ( 8.518 -0.000 -0.079) 8.518 5.268 ( 8.014 -0.000 -0.001) 8.014 5.442 ( -2.594 0.000 -0.012) 2.594 5.449 ( -2.075 0.000 0.118) 2.079 6.169 ( 2.117 -0.000 -0.126) 2.121 6.185 ( 2.180 0.000 0.133) 2.184 6.221 ( 2.790 -0.000 -0.141) 2.793 6.236 ( 2.049 0.000 0.100) 2.052 6.399 ( -5.061 0.000 0.020) 5.061 6.403 ( -5.191 0.000 0.099) 5.192 6.593 ( -1.638 -0.000 -1.325) 2.107 6.693 ( -3.359 0.000 0.482) 3.393 7.183 ( 0.168 -0.000 -0.094) 0.192 7.192 ( -0.227 0.000 0.052) 0.233 7.239 ( 3.752 -0.000 -0.271) 3.762 7.295 ( 4.895 0.000 0.704) 4.946 7.706 ( -0.937 -0.000 -0.069) 0.940 7.713 ( -1.632 0.000 0.036) 1.632 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 16.748 -0.000 0.000) 16.748 0.467 ( 11.550 -0.000 0.000) 11.550 0.723 ( 8.312 -0.000 0.000) 8.312 0.762 ( -5.561 0.000 -0.000) 5.561 0.973 ( 27.241 -0.000 0.000) 27.241 1.065 ( 19.230 -0.000 0.000) 19.230 1.635 ( -2.760 0.000 -0.000) 2.760 1.643 ( -0.107 0.000 -0.000) 0.107 1.733 ( -2.199 0.000 -0.000) 2.199 1.780 ( -1.915 0.000 -0.000) 1.915 1.815 ( -1.825 0.000 -0.000) 1.825 1.925 ( -1.170 0.000 -0.000) 1.170 1.963 ( 1.898 -0.000 0.000) 1.898 2.091 ( -2.708 0.000 -0.000) 2.708 2.119 ( -2.467 0.000 -0.000) 2.467 2.222 ( -2.503 0.000 -0.000) 2.503 2.240 ( -3.336 0.000 -0.000) 3.336 2.288 ( -7.255 0.000 -0.000) 7.255 2.432 ( 2.853 -0.000 0.000) 2.853 2.436 ( 2.827 -0.000 0.000) 2.827 2.493 ( -7.023 0.000 -0.000) 7.023 2.495 ( -8.768 0.000 -0.000) 8.768 2.561 ( -3.695 0.000 -0.000) 3.695 2.583 ( -2.873 0.000 -0.000) 2.873 3.151 ( -9.013 0.000 -0.000) 9.013 3.165 ( -8.771 0.000 -0.000) 8.771 3.286 ( -2.772 0.000 -0.000) 2.772 3.289 ( -2.364 0.000 -0.000) 2.364 3.496 ( -4.271 0.000 -0.000) 4.271 3.522 ( -5.697 0.000 -0.000) 5.697 4.441 ( 0.988 -0.000 0.000) 0.988 4.447 ( 1.289 -0.000 0.000) 1.289 4.574 ( 7.189 -0.000 0.000) 7.189 4.589 ( 7.160 -0.000 0.000) 7.160 5.158 ( 3.758 -0.000 0.000) 3.758 5.166 ( 3.549 -0.000 0.000) 3.549 5.263 ( 8.546 -0.000 0.000) 8.546 5.268 ( 7.997 -0.000 0.000) 7.997 5.442 ( -2.606 0.000 -0.000) 2.606 5.450 ( -2.066 0.000 -0.000) 2.066 6.169 ( 2.108 -0.000 0.000) 2.108 6.186 ( 2.170 -0.000 0.000) 2.170 6.221 ( 2.807 -0.000 0.000) 2.807 6.237 ( 2.016 -0.000 0.000) 2.016 6.399 ( -5.083 0.000 -0.000) 5.083 6.403 ( -5.226 0.000 -0.000) 5.226 6.587 ( -1.377 0.000 -0.000) 1.377 6.695 ( -3.365 0.000 -0.000) 3.365 7.182 ( 0.183 -0.000 0.000) 0.183 7.192 ( -0.237 0.000 -0.000) 0.237 7.238 ( 3.679 -0.000 0.000) 3.679 7.298 ( 4.829 -0.000 0.000) 4.829 7.705 ( -0.915 0.000 -0.000) 0.915 7.713 ( -1.652 0.000 -0.000) 1.652 ======================= Grid point 96 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.162 ( 0.000 4.906 11.683) 12.671 0.314 ( 0.000 13.731 3.736) 14.230 0.570 ( 0.000 26.250 2.939) 26.414 0.674 ( 0.000 6.332 -1.773) 6.575 0.733 ( 0.000 15.226 -3.035) 15.526 0.909 ( -0.000 -7.186 -1.392) 7.319 1.650 ( 0.000 -0.546 0.672) 0.866 1.731 ( -0.000 -4.324 0.970) 4.431 1.739 ( 0.000 -0.151 0.780) 0.794 1.757 ( -0.000 -0.904 -0.099) 0.910 1.855 ( 0.000 0.525 0.570) 0.776 1.893 ( -0.000 0.927 -1.457) 1.727 2.064 ( -0.000 -1.850 -1.484) 2.372 2.102 ( -0.000 -2.216 -4.092) 4.653 2.138 ( -0.000 -2.519 1.036) 2.724 2.225 ( 0.000 -3.286 3.126) 4.535 2.270 ( 0.000 -0.250 1.373) 1.395 2.294 ( -0.000 0.602 -2.344) 2.420 2.397 ( 0.000 1.618 0.039) 1.619 2.400 ( 0.000 1.598 0.014) 1.598 2.574 ( -0.000 -5.941 -0.250) 5.946 2.575 ( -0.000 -5.577 0.397) 5.591 2.611 ( -0.000 -1.585 -0.450) 1.647 2.656 ( -0.000 -2.274 -0.640) 2.362 3.289 ( -0.000 -2.414 -0.011) 2.414 3.290 ( -0.000 -3.969 0.053) 3.969 3.291 ( -0.000 -1.969 -0.046) 1.970 3.295 ( -0.000 -4.123 -0.021) 4.124 3.537 ( -0.000 -5.139 0.459) 5.160 3.593 ( -0.000 -4.952 -0.374) 4.966 4.440 ( 0.000 0.688 0.034) 0.689 4.449 ( 0.000 0.658 -0.105) 0.666 4.488 ( 0.000 5.761 0.170) 5.763 4.490 ( 0.000 5.686 0.381) 5.699 5.117 ( 0.000 2.246 0.314) 2.268 5.132 ( 0.000 2.144 -0.080) 2.145 5.148 ( 0.000 6.270 0.076) 6.270 5.161 ( 0.000 6.292 -0.137) 6.294 5.457 ( -0.000 -2.430 0.124) 2.433 5.468 ( -0.000 -2.879 -0.036) 2.879 6.155 ( 0.000 0.853 0.170) 0.870 6.162 ( 0.000 3.086 0.076) 3.087 6.179 ( 0.000 3.137 -0.084) 3.138 6.189 ( 0.000 0.699 -0.257) 0.744 6.470 ( -0.000 -3.554 -0.106) 3.556 6.480 ( -0.000 -3.761 -0.301) 3.773 6.621 ( 0.000 -1.777 3.078) 3.554 6.739 ( -0.000 -2.232 -0.441) 2.276 7.139 ( 0.000 0.126 0.182) 0.222 7.164 ( -0.000 -0.030 -0.201) 0.204 7.223 ( 0.000 2.542 0.044) 2.542 7.257 ( 0.000 3.481 -1.131) 3.661 7.712 ( -0.000 -0.851 0.217) 0.878 7.738 ( -0.000 -0.486 -0.180) 0.519 ======================= Grid point 97 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( -5.580 9.112 4.832) 11.727 0.478 ( -3.439 11.862 3.562) 12.854 0.718 ( 4.307 -3.234 -5.346) 7.589 0.749 ( -1.651 7.077 -2.353) 7.638 0.998 ( -14.355 21.389 1.771) 25.820 1.044 ( -10.526 15.167 1.443) 18.518 1.632 ( 1.081 -1.243 1.054) 1.956 1.664 ( 2.388 -2.193 1.516) 3.579 1.735 ( 0.672 -0.524 -1.400) 1.639 1.756 ( -0.312 -1.857 1.033) 2.148 1.842 ( 0.917 -0.627 -0.850) 1.399 1.929 ( -2.475 0.368 -1.959) 3.178 1.968 ( 4.410 -1.123 -1.899) 4.932 2.083 ( 0.037 -2.769 -0.377) 2.795 2.110 ( 0.927 -2.734 1.209) 3.130 2.187 ( 1.263 -5.107 0.440) 5.279 2.264 ( 1.246 -1.640 0.487) 2.117 2.269 ( 1.371 -1.307 0.611) 1.990 2.433 ( -1.041 1.834 -0.037) 2.109 2.435 ( -0.091 1.036 0.040) 1.040 2.453 ( 4.685 -7.035 0.006) 8.452 2.458 ( 3.722 -5.825 -0.328) 6.920 2.592 ( -0.025 -2.345 -1.146) 2.610 2.627 ( 0.445 -2.367 -0.278) 2.425 3.171 ( 4.995 -8.282 0.006) 9.672 3.173 ( 4.973 -8.114 -0.003) 9.516 3.272 ( 1.726 -1.901 0.013) 2.568 3.274 ( 1.875 -1.548 0.007) 2.432 3.473 ( 0.779 -5.231 0.272) 5.296 3.526 ( 0.965 -5.003 -0.189) 5.099 4.465 ( -1.427 1.147 0.013) 1.831 4.473 ( -1.447 1.202 -0.001) 1.881 4.578 ( -2.540 7.156 0.326) 7.601 4.578 ( -2.831 6.836 0.210) 7.402 5.157 ( -1.359 3.208 0.197) 3.489 5.170 ( -1.242 3.189 -0.167) 3.427 5.260 ( -4.090 7.149 0.040) 8.236 5.269 ( -3.986 7.119 -0.015) 8.159 5.419 ( 1.219 -3.114 -0.130) 3.346 5.424 ( 0.989 -3.109 0.220) 3.270 6.176 ( -1.019 1.166 0.257) 1.569 6.200 ( -0.586 1.353 -0.331) 1.511 6.215 ( -1.859 3.271 0.170) 3.766 6.232 ( -1.761 3.017 -0.163) 3.497 6.403 ( 2.586 -4.354 -0.090) 5.065 6.409 ( 2.765 -4.494 -0.212) 5.280 6.605 ( 1.004 -1.381 1.771) 2.461 6.694 ( 1.709 -2.739 -0.754) 3.315 7.153 ( -1.025 -0.232 0.157) 1.062 7.166 ( -0.335 -0.294 -0.158) 0.473 7.267 ( -1.454 3.481 0.298) 3.785 7.306 ( -1.720 4.053 -0.806) 4.476 7.699 ( 0.450 -1.230 0.289) 1.341 7.723 ( 0.837 -0.778 -0.238) 1.167 ======================= Grid point 98 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -9.357 8.562 -3.097) 13.056 0.668 ( -4.658 9.055 0.002) 10.183 0.715 ( -8.607 6.678 3.514) 11.447 0.884 ( -4.612 7.913 -1.659) 9.308 1.403 ( -12.633 12.446 0.648) 17.746 1.453 ( -13.600 14.025 -1.554) 19.598 1.608 ( 0.269 -0.126 1.652) 1.679 1.641 ( -0.287 0.956 3.180) 3.333 1.707 ( 0.738 -0.081 -1.221) 1.429 1.731 ( 1.172 -2.306 0.828) 2.716 1.815 ( 0.652 -1.540 0.151) 1.679 1.865 ( 4.627 -1.637 -1.150) 5.041 1.939 ( 0.141 -1.360 -2.129) 2.530 2.048 ( 1.829 -1.940 1.249) 2.944 2.058 ( 1.629 -3.313 0.926) 3.806 2.098 ( 1.926 -5.815 -1.163) 6.235 2.139 ( 9.105 -6.965 -0.124) 11.464 2.216 ( 4.816 -4.740 1.856) 7.008 2.277 ( 4.244 -4.263 -1.240) 6.142 2.308 ( 2.523 -3.407 0.160) 4.243 2.510 ( -3.216 4.099 0.063) 5.210 2.515 ( -2.652 4.522 -0.147) 5.245 2.554 ( 0.499 -3.025 -1.193) 3.290 2.585 ( 1.367 -2.454 -0.060) 2.810 2.965 ( 6.479 -11.687 -0.142) 13.363 2.973 ( 6.387 -11.196 0.162) 12.891 3.171 ( 8.552 0.069 -0.053) 8.553 3.177 ( 8.383 0.266 0.125) 8.388 3.434 ( -2.495 -5.595 -0.138) 6.128 3.479 ( -1.567 -5.287 0.107) 5.515 4.502 ( -1.034 1.685 -0.056) 1.978 4.512 ( -1.011 1.697 0.120) 1.979 4.719 ( -5.030 6.843 0.169) 8.494 4.719 ( -5.188 6.526 0.114) 8.338 5.220 ( -1.693 3.405 0.141) 3.806 5.229 ( -1.423 3.497 -0.152) 3.779 5.329 ( 1.780 -2.817 0.135) 3.335 5.340 ( 1.435 -2.680 -0.159) 3.045 5.452 ( -5.895 5.921 0.079) 8.355 5.454 ( -5.809 5.844 0.014) 8.240 6.195 ( 0.464 -1.304 0.115) 1.389 6.210 ( 0.980 -1.453 -0.138) 1.758 6.267 ( 0.340 1.228 0.171) 1.285 6.278 ( 0.560 1.272 -0.099) 1.393 6.331 ( -0.472 -0.557 -0.097) 0.737 6.337 ( -0.449 -0.539 -0.002) 0.701 6.574 ( 1.540 -1.432 1.092) 2.370 6.626 ( 2.409 -2.600 -0.775) 3.628 7.166 ( -0.630 -0.282 0.001) 0.691 7.168 ( -0.340 -0.248 0.037) 0.423 7.340 ( -2.433 3.538 0.645) 4.342 7.384 ( -2.816 3.608 -0.844) 4.654 7.672 ( 1.151 -1.602 0.058) 1.973 7.693 ( 1.409 -1.098 -0.044) 1.787 ======================= Grid point 99 (38/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -14.022 10.470 -1.753) 17.587 0.895 ( -8.140 6.952 -0.160) 10.706 1.021 ( -13.730 9.894 2.341) 17.084 1.032 ( -3.868 6.197 -0.340) 7.313 1.558 ( -0.206 -0.244 -0.823) 0.882 1.602 ( 1.096 -1.457 1.167) 2.165 1.623 ( -0.290 -1.690 -0.592) 1.814 1.670 ( 0.462 -0.288 -1.913) 1.989 1.712 ( 0.568 1.051 0.033) 1.195 1.736 ( 4.342 -1.977 0.692) 4.821 1.806 ( 5.771 -2.454 -0.606) 6.300 1.873 ( 2.886 -2.708 1.879) 4.380 1.921 ( -1.940 0.307 -0.194) 1.974 1.944 ( -11.976 8.539 0.719) 14.726 1.958 ( 6.368 -3.685 1.219) 7.458 2.019 ( 0.314 -3.402 -0.026) 3.416 2.031 ( -0.226 -0.599 0.994) 1.182 2.067 ( 3.966 -2.471 0.329) 4.684 2.191 ( 2.306 -1.884 -2.869) 4.134 2.287 ( -0.530 -0.133 0.493) 0.736 2.503 ( 0.133 -4.224 -0.733) 4.289 2.532 ( 0.899 -3.046 -0.221) 3.184 2.632 ( -4.359 6.301 -0.039) 7.662 2.633 ( -3.914 5.647 -0.002) 6.871 2.729 ( 6.805 -11.163 0.236) 13.075 2.737 ( 7.136 -10.121 -0.186) 12.385 2.997 ( 10.992 0.365 0.086) 10.999 3.002 ( 11.429 0.662 -0.039) 11.448 3.433 ( -3.745 -5.968 -0.218) 7.049 3.465 ( -2.827 -5.821 0.116) 6.472 4.529 ( -0.158 1.488 -0.031) 1.497 4.536 ( 0.104 1.395 0.080) 1.401 4.872 ( -4.462 5.486 0.067) 7.072 4.874 ( -4.898 5.231 0.029) 7.166 5.255 ( 1.269 -3.359 0.102) 3.592 5.264 ( 1.189 -2.931 -0.202) 3.170 5.280 ( 0.034 2.581 0.072) 2.582 5.286 ( 0.093 2.900 -0.053) 2.902 5.625 ( -6.147 5.436 -0.012) 8.206 5.626 ( -6.230 5.270 0.018) 8.159 6.105 ( 4.360 -4.788 -0.053) 6.476 6.112 ( 4.541 -4.749 0.137) 6.572 6.274 ( -0.019 1.291 0.071) 1.294 6.286 ( -0.087 1.491 -0.083) 1.496 6.385 ( -2.733 1.758 0.022) 3.250 6.388 ( -2.625 1.762 -0.094) 3.163 6.532 ( 1.822 -1.554 0.612) 2.471 6.557 ( 2.361 -2.204 -0.496) 3.268 7.170 ( -0.281 -0.178 0.021) 0.334 7.175 ( -0.349 -0.025 0.014) 0.350 7.418 ( -2.109 2.904 0.710) 3.658 7.461 ( -2.515 2.771 -0.799) 3.826 7.629 ( 1.469 -1.791 -0.295) 2.335 7.654 ( 1.579 -1.389 0.267) 2.120 ======================= Grid point 100 (39/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -1.847 3.287 -0.319) 3.784 1.083 ( 3.018 2.841 0.066) 4.145 1.156 ( -3.697 4.475 -0.783) 5.857 1.289 ( -1.194 2.440 0.742) 2.817 1.479 ( 1.778 -2.178 1.183) 3.050 1.560 ( -0.216 0.130 -1.044) 1.074 1.580 ( -2.166 -1.308 -1.959) 3.200 1.610 ( 0.655 0.550 -0.179) 0.874 1.659 ( 0.185 1.369 -0.370) 1.430 1.717 ( -1.561 0.766 1.200) 2.113 1.752 ( 5.476 -1.205 0.922) 5.682 1.768 ( -1.164 1.264 -2.065) 2.686 1.884 ( 0.520 -1.899 3.314) 3.855 1.976 ( -1.741 -0.745 -2.084) 2.816 1.989 ( -0.504 -1.126 0.238) 1.256 2.012 ( -0.777 -2.301 -0.195) 2.436 2.052 ( 3.555 -3.203 -1.404) 4.986 2.142 ( -2.988 2.226 1.967) 4.214 2.253 ( -5.155 3.082 -1.993) 6.328 2.287 ( 4.598 -2.544 1.484) 5.461 2.444 ( 0.341 -5.500 -0.414) 5.526 2.494 ( -1.891 -1.478 -0.084) 2.402 2.547 ( -1.938 -5.205 1.459) 5.742 2.592 ( -2.842 -3.054 -1.794) 4.541 2.777 ( 1.947 5.494 -0.037) 5.829 2.783 ( 2.640 5.770 -0.000) 6.345 2.825 ( 2.289 3.671 -0.117) 4.328 2.836 ( 2.918 2.640 0.133) 3.937 3.436 ( -3.816 -6.401 -0.194) 7.454 3.455 ( -2.893 -6.192 0.097) 6.835 4.534 ( 0.864 0.596 0.025) 1.050 4.535 ( 1.063 0.518 -0.012) 1.182 4.943 ( 1.437 1.406 0.086) 2.012 4.951 ( 1.127 1.175 -0.111) 1.631 5.226 ( -1.645 -0.985 -0.059) 1.919 5.231 ( -1.728 -1.007 0.020) 2.000 5.304 ( 0.898 2.688 -0.026) 2.834 5.311 ( 1.041 2.939 0.069) 3.119 5.727 ( 0.629 1.280 0.008) 1.426 5.730 ( 0.389 1.178 -0.033) 1.241 6.016 ( -0.715 -2.172 -0.158) 2.292 6.024 ( -0.726 -2.044 0.031) 2.170 6.278 ( 0.688 0.468 -0.123) 0.841 6.294 ( 0.719 0.716 0.065) 1.017 6.430 ( -0.146 0.386 -0.065) 0.418 6.433 ( 0.016 0.363 0.020) 0.364 6.496 ( 0.112 -0.752 -0.043) 0.762 6.512 ( -0.396 -0.629 -0.020) 0.744 7.173 ( -0.222 0.019 -0.041) 0.227 7.180 ( -0.165 0.146 0.046) 0.225 7.454 ( 1.171 0.878 -0.161) 1.472 7.506 ( 0.165 1.238 0.092) 1.252 7.603 ( -0.804 -0.715 -0.272) 1.110 7.622 ( 0.091 -0.870 0.215) 0.901 ======================= Grid point 101 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 15.444 -2.412 -1.103) 15.670 0.987 ( 10.942 -0.757 0.583) 10.984 1.002 ( 8.365 -1.466 -0.761) 8.527 1.100 ( 14.661 -2.833 0.564) 14.943 1.572 ( -0.828 0.637 -0.352) 1.102 1.618 ( -1.062 0.911 0.294) 1.430 1.650 ( -2.054 -0.005 1.056) 2.310 1.667 ( -3.073 0.589 -0.381) 3.152 1.702 ( 0.030 -0.103 0.349) 0.366 1.749 ( -10.693 6.209 -1.209) 12.424 1.772 ( 6.361 -2.068 -0.735) 6.729 1.836 ( -3.828 2.003 -1.695) 4.640 1.916 ( -9.431 4.662 1.147) 10.583 1.927 ( 14.741 -5.703 -0.034) 15.806 1.960 ( 0.091 -2.426 0.783) 2.550 2.000 ( -2.434 -0.315 -1.639) 2.951 2.015 ( -1.219 0.340 -0.609) 1.405 2.060 ( -5.223 -1.095 -0.397) 5.352 2.241 ( -1.865 1.445 2.279) 3.280 2.274 ( 0.047 0.080 0.151) 0.178 2.452 ( -4.256 -3.606 -0.576) 5.607 2.509 ( -2.598 -3.147 -0.090) 4.082 2.638 ( 7.807 -0.259 -0.015) 7.811 2.643 ( 7.573 -0.702 0.064) 7.606 2.724 ( -13.750 1.376 -0.100) 13.819 2.744 ( -12.657 0.041 -0.365) 12.663 2.996 ( -5.350 10.190 -0.053) 11.509 3.006 ( -5.318 11.194 0.062) 12.393 3.437 ( -3.760 -6.443 -0.073) 7.460 3.444 ( -2.932 -6.114 0.012) 6.781 4.508 ( 1.743 -0.473 -0.054) 1.807 4.515 ( 1.543 -0.335 0.029) 1.579 4.863 ( 6.396 -1.624 -0.020) 6.599 4.870 ( 6.241 -1.764 -0.046) 6.486 5.260 ( -0.003 0.655 -0.053) 0.657 5.265 ( 0.644 0.827 0.018) 1.048 5.323 ( -0.779 2.675 0.105) 2.788 5.326 ( -1.771 2.461 0.013) 3.032 5.623 ( 7.956 -2.996 -0.004) 8.501 5.627 ( 7.981 -2.993 -0.020) 8.524 6.095 ( -6.698 1.266 -0.191) 6.819 6.103 ( -6.514 1.299 -0.072) 6.643 6.257 ( 1.624 -0.419 -0.153) 1.684 6.274 ( 1.731 -0.214 0.087) 1.746 6.393 ( 2.749 -0.942 -0.004) 2.905 6.395 ( 2.711 -0.950 0.027) 2.873 6.521 ( -2.050 0.448 -0.376) 2.132 6.558 ( -3.287 0.828 0.185) 3.395 7.178 ( -0.209 0.244 -0.048) 0.325 7.183 ( 0.013 0.223 0.032) 0.226 7.401 ( 3.814 -0.985 -0.519) 3.974 7.472 ( 3.643 -0.670 0.486) 3.736 7.633 ( -2.327 0.320 0.007) 2.349 7.644 ( -2.011 0.420 -0.055) 2.055 ======================= Grid point 102 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 10.580 -1.229 -0.443) 10.660 0.710 ( 18.628 -2.162 0.080) 18.753 0.799 ( 9.595 0.544 -0.031) 9.611 0.887 ( 9.443 -1.260 0.682) 9.551 1.422 ( 18.386 -3.610 -0.248) 18.739 1.465 ( 24.295 -5.388 0.061) 24.886 1.598 ( -1.233 0.400 -1.074) 1.683 1.638 ( 0.054 0.912 0.016) 0.914 1.691 ( -2.210 -0.358 1.054) 2.475 1.735 ( -2.844 0.997 -1.406) 3.326 1.770 ( -3.578 -0.611 -1.034) 3.775 1.888 ( -2.165 1.911 0.195) 2.894 1.963 ( -1.438 0.437 2.147) 2.621 2.041 ( -3.083 0.377 -1.855) 3.618 2.061 ( -3.188 1.248 1.005) 3.568 2.099 ( -12.370 2.097 -0.764) 12.570 2.148 ( -6.889 1.066 0.451) 6.985 2.165 ( -6.465 0.052 -0.693) 6.503 2.324 ( -5.703 2.089 1.026) 6.159 2.334 ( -5.865 3.269 0.454) 6.730 2.500 ( -4.606 -2.379 -0.379) 5.198 2.514 ( 4.584 -0.485 -0.087) 4.611 2.520 ( 5.528 0.101 0.064) 5.529 2.541 ( -2.556 -2.316 -0.145) 3.453 2.965 ( -12.257 -0.450 -0.065) 12.265 2.972 ( -12.952 0.022 -0.014) 12.952 3.182 ( -4.541 8.127 -0.040) 9.310 3.194 ( -4.106 8.120 0.039) 9.099 3.444 ( -3.547 -4.120 0.064) 5.437 3.450 ( -4.560 -4.568 -0.103) 6.456 4.470 ( 1.672 -0.798 -0.048) 1.853 4.479 ( 1.751 -0.752 0.009) 1.906 4.717 ( 7.911 -1.394 -0.082) 8.033 4.729 ( 7.672 -1.318 0.016) 7.784 5.224 ( 3.627 0.289 -0.010) 3.639 5.228 ( 3.484 0.491 0.020) 3.518 5.382 ( -1.785 2.010 -0.015) 2.689 5.393 ( -1.671 1.785 0.074) 2.447 5.441 ( 7.936 -2.995 -0.014) 8.483 5.443 ( 8.477 -2.915 -0.017) 8.964 6.206 ( -0.050 0.711 -0.076) 0.716 6.219 ( -2.322 1.018 0.001) 2.535 6.227 ( -2.175 -0.732 -0.060) 2.295 6.238 ( 0.037 -0.970 -0.002) 0.971 6.344 ( 0.882 -0.120 -0.002) 0.890 6.349 ( 0.757 -0.126 0.019) 0.768 6.558 ( -1.860 0.275 -0.351) 1.913 6.628 ( -3.663 0.643 0.184) 3.724 7.184 ( 0.165 0.216 -0.007) 0.272 7.185 ( -0.232 0.383 -0.008) 0.448 7.316 ( 4.204 -1.114 -0.252) 4.356 7.389 ( 4.801 -0.893 0.292) 4.892 7.677 ( -2.209 0.250 0.031) 2.223 7.681 ( -1.608 0.369 -0.046) 1.650 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( 0.000 2.467 13.229) 13.457 0.357 ( 0.000 12.060 6.246) 13.582 0.600 ( 0.000 20.005 3.042) 20.235 0.657 ( 0.000 10.238 -1.173) 10.305 0.696 ( 0.000 12.347 -5.591) 13.554 0.890 ( -0.000 -2.982 -3.204) 4.377 1.658 ( 0.000 -0.386 1.200) 1.260 1.728 ( -0.000 -0.871 -1.505) 1.739 1.748 ( 0.000 -0.569 1.356) 1.470 1.767 ( -0.000 -5.609 1.865) 5.911 1.861 ( 0.000 0.363 0.755) 0.838 1.879 ( -0.000 0.194 -1.659) 1.670 2.048 ( -0.000 -1.407 -2.279) 2.679 2.067 ( -0.000 -2.365 -4.208) 4.827 2.148 ( -0.000 -2.116 1.328) 2.498 2.228 ( -0.000 0.873 -2.581) 2.724 2.286 ( 0.000 -0.497 2.139) 2.196 2.291 ( 0.000 -1.784 2.132) 2.780 2.397 ( 0.000 1.625 0.071) 1.627 2.400 ( 0.000 1.608 0.003) 1.608 2.571 ( -0.000 -5.503 -0.293) 5.510 2.579 ( -0.000 -5.486 0.550) 5.513 2.606 ( -0.000 -1.819 -0.571) 1.907 2.648 ( -0.000 -2.674 -1.163) 2.916 3.289 ( -0.000 -2.636 -0.004) 2.636 3.291 ( -0.000 -2.137 -0.072) 2.139 3.291 ( -0.000 -3.724 0.087) 3.725 3.295 ( -0.000 -3.977 -0.049) 3.978 3.543 ( -0.000 -5.096 0.871) 5.170 3.589 ( -0.000 -4.951 -0.723) 5.003 4.440 ( 0.000 0.697 0.075) 0.701 4.447 ( 0.000 0.676 -0.182) 0.700 4.490 ( 0.000 5.793 0.282) 5.800 4.493 ( 0.000 5.733 0.360) 5.744 5.120 ( 0.000 2.134 0.377) 2.167 5.131 ( 0.000 2.155 -0.150) 2.160 5.149 ( 0.000 6.266 0.147) 6.268 5.159 ( 0.000 6.284 -0.225) 6.288 5.459 ( -0.000 -2.456 0.220) 2.465 5.468 ( -0.000 -2.823 -0.088) 2.824 6.157 ( 0.000 0.971 0.318) 1.022 6.163 ( 0.000 3.085 0.131) 3.088 6.178 ( 0.000 3.007 -0.139) 3.010 6.186 ( 0.000 0.724 -0.451) 0.853 6.468 ( -0.000 -3.532 -0.137) 3.535 6.477 ( -0.000 -3.702 -0.455) 3.730 6.650 ( 0.000 -3.252 3.574) 4.832 6.733 ( -0.000 -2.351 -0.851) 2.500 7.142 ( 0.000 0.113 0.344) 0.362 7.162 ( -0.000 -0.014 -0.373) 0.374 7.224 ( 0.000 2.691 0.101) 2.693 7.247 ( 0.000 3.972 -1.299) 4.179 7.714 ( -0.000 -0.812 0.402) 0.906 7.736 ( -0.000 -0.516 -0.345) 0.621 ======================= Grid point 107 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( -2.179 6.601 7.084) 9.925 0.513 ( -2.884 10.997 4.577) 12.256 0.665 ( 3.198 -1.834 -7.120) 8.018 0.724 ( -2.508 8.117 -3.587) 9.221 1.015 ( -13.622 19.981 2.254) 24.288 1.055 ( -10.588 14.870 1.120) 18.289 1.643 ( 1.214 -0.992 1.558) 2.210 1.679 ( 2.342 -1.969 1.834) 3.567 1.722 ( 0.555 -0.483 -1.589) 1.751 1.766 ( -0.702 -2.417 1.194) 2.785 1.830 ( 1.138 -0.516 -1.752) 2.152 1.910 ( -0.955 -0.144 -2.418) 2.603 1.956 ( 2.431 -1.546 -0.762) 2.980 2.075 ( -1.525 -3.276 -1.297) 3.839 2.122 ( 1.432 -2.148 1.650) 3.064 2.186 ( 2.419 -3.404 -0.791) 4.250 2.262 ( 1.586 -1.755 0.134) 2.369 2.286 ( 0.686 -1.542 2.057) 2.661 2.432 ( -1.058 1.936 0.013) 2.207 2.436 ( -0.559 1.824 0.005) 1.907 2.453 ( 5.234 -6.396 -0.131) 8.265 2.456 ( 4.633 -6.745 -0.125) 8.183 2.581 ( -0.143 -2.541 -1.264) 2.842 2.624 ( -0.017 -2.629 -0.443) 2.666 3.171 ( 5.034 -8.270 0.020) 9.682 3.173 ( 4.927 -8.116 -0.017) 9.495 3.272 ( 1.702 -1.780 0.010) 2.463 3.274 ( 1.850 -1.695 0.013) 2.509 3.476 ( 1.148 -5.245 0.370) 5.382 3.524 ( 0.676 -4.968 -0.274) 5.021 4.465 ( -1.376 1.151 0.015) 1.794 4.473 ( -1.565 1.168 -0.004) 1.953 4.580 ( -2.688 7.019 0.240) 7.520 4.581 ( -2.575 6.951 0.318) 7.420 5.159 ( -1.317 3.195 0.269) 3.466 5.169 ( -1.233 3.204 -0.240) 3.442 5.261 ( -4.048 7.091 0.046) 8.165 5.269 ( -4.067 7.154 -0.018) 8.229 5.418 ( 1.317 -3.101 -0.076) 3.370 5.426 ( 0.949 -3.069 0.178) 3.217 6.179 ( -0.976 1.204 0.406) 1.602 6.197 ( -0.650 1.283 -0.489) 1.519 6.217 ( -1.827 3.322 0.239) 3.799 6.230 ( -1.804 3.017 -0.233) 3.523 6.402 ( 2.591 -4.342 -0.093) 5.057 6.407 ( 2.661 -4.407 -0.242) 5.154 6.622 ( 1.308 -1.946 2.265) 3.260 6.686 ( 1.697 -2.734 -1.220) 3.441 7.155 ( -0.944 -0.239 0.238) 1.003 7.165 ( -0.439 -0.281 -0.240) 0.574 7.270 ( -1.517 3.629 0.501) 3.965 7.299 ( -1.764 4.143 -1.039) 4.621 7.702 ( 0.554 -1.181 0.419) 1.370 7.720 ( 0.746 -0.821 -0.362) 1.167 ======================= Grid point 108 (44/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -7.592 7.889 -2.102) 11.148 0.668 ( -6.022 9.182 -0.029) 10.980 0.742 ( -8.608 7.393 2.877) 11.706 0.869 ( -5.090 8.387 -1.817) 9.977 1.410 ( -12.323 11.850 0.850) 17.118 1.440 ( -12.307 12.271 -1.518) 17.445 1.624 ( 0.531 0.200 2.002) 2.081 1.665 ( -0.899 1.769 2.258) 3.006 1.698 ( 0.703 -0.065 -0.800) 1.067 1.741 ( 0.855 -2.467 1.718) 3.125 1.808 ( -0.072 -1.088 -1.779) 2.087 1.854 ( 3.173 -0.598 -1.448) 3.539 1.932 ( 0.452 -1.993 0.294) 2.065 2.042 ( 1.047 -2.947 -2.255) 3.856 2.066 ( 2.832 -2.739 1.154) 4.106 2.098 ( 2.288 -5.089 0.448) 5.597 2.143 ( 9.293 -7.705 1.331) 12.145 2.223 ( 3.827 -4.980 -0.471) 6.298 2.272 ( 5.784 -4.067 0.288) 7.076 2.308 ( 2.470 -2.332 -0.244) 3.406 2.510 ( -3.138 4.243 0.076) 5.278 2.513 ( -2.859 4.479 -0.119) 5.315 2.544 ( 0.251 -3.393 -0.949) 3.532 2.584 ( 1.240 -2.673 -0.199) 2.953 2.964 ( 6.513 -11.695 -0.080) 13.386 2.974 ( 6.334 -11.192 0.100) 12.860 3.171 ( 8.641 0.148 -0.026) 8.642 3.178 ( 8.282 0.181 0.090) 8.285 3.432 ( -2.395 -5.567 -0.106) 6.061 3.479 ( -1.631 -5.330 0.078) 5.574 4.502 ( -1.035 1.668 -0.039) 1.964 4.512 ( -1.029 1.687 0.095) 1.978 4.720 ( -5.059 6.659 0.133) 8.364 4.720 ( -5.058 6.673 0.111) 8.374 5.222 ( -1.625 3.420 0.184) 3.791 5.227 ( -1.487 3.484 -0.193) 3.793 5.331 ( 1.821 -2.846 0.160) 3.383 5.339 ( 1.424 -2.624 -0.182) 2.991 5.453 ( -5.877 5.924 0.082) 8.345 5.454 ( -5.792 5.838 -0.000) 8.223 6.196 ( 0.591 -1.503 0.122) 1.620 6.209 ( 0.781 -1.229 -0.141) 1.463 6.269 ( 0.357 1.279 0.182) 1.340 6.277 ( 0.566 1.178 -0.119) 1.312 6.330 ( -0.574 -0.462 -0.081) 0.741 6.337 ( -0.394 -0.587 -0.006) 0.707 6.584 ( 1.744 -1.728 1.363) 2.808 6.619 ( 2.287 -2.457 -1.089) 3.528 7.166 ( -0.560 -0.330 0.002) 0.650 7.169 ( -0.422 -0.206 0.031) 0.471 7.347 ( -2.478 3.574 0.879) 4.437 7.376 ( -2.830 3.644 -1.052) 4.732 7.672 ( 1.380 -1.564 0.054) 2.086 7.692 ( 1.204 -1.143 -0.041) 1.660 ======================= Grid point 109 (45/125) ======================= q-point: ( 0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -14.720 10.512 -0.993) 18.115 0.894 ( -7.854 6.705 -0.040) 10.327 1.030 ( -4.374 6.556 -0.216) 7.884 1.037 ( -13.100 9.877 1.313) 16.459 1.552 ( -0.731 -0.138 -0.715) 1.032 1.611 ( 1.075 -1.118 0.968) 1.828 1.623 ( 0.243 -2.008 0.380) 2.058 1.654 ( -0.370 0.049 -1.917) 1.953 1.717 ( 1.588 -0.043 1.084) 1.923 1.738 ( 3.486 -1.139 -0.455) 3.695 1.797 ( 10.864 -6.216 -0.994) 12.556 1.890 ( -2.490 0.256 1.617) 2.980 1.920 ( -2.761 0.800 -0.052) 2.875 1.950 ( -6.971 7.005 0.889) 9.922 1.969 ( 2.763 -2.972 1.171) 4.224 2.007 ( -0.565 -2.899 -1.919) 3.522 2.048 ( 0.096 -1.418 2.016) 2.467 2.070 ( 4.645 -1.521 0.204) 4.892 2.169 ( 3.295 -2.148 -2.126) 4.472 2.289 ( -0.511 0.072 0.166) 0.542 2.499 ( -0.322 -4.471 -0.322) 4.494 2.529 ( 1.053 -3.127 -0.301) 3.314 2.631 ( -4.349 6.424 -0.028) 7.758 2.633 ( -4.036 5.543 0.001) 6.857 2.731 ( 6.659 -10.843 0.256) 12.727 2.735 ( 7.322 -10.567 -0.217) 12.858 2.998 ( 10.854 0.405 0.066) 10.862 3.002 ( 11.591 0.619 -0.035) 11.607 3.431 ( -3.724 -5.958 -0.133) 7.028 3.465 ( -2.851 -5.863 0.066) 6.520 4.529 ( -0.179 1.483 -0.017) 1.493 4.537 ( 0.130 1.390 0.049) 1.396 4.872 ( -4.456 5.476 0.044) 7.061 4.874 ( -4.865 5.223 0.018) 7.138 5.255 ( 1.335 -3.377 0.100) 3.633 5.262 ( 1.144 -2.893 -0.163) 3.115 5.281 ( 0.176 2.371 0.050) 2.378 5.285 ( -0.059 3.101 -0.040) 3.102 5.625 ( -6.132 5.450 -0.006) 8.204 5.626 ( -6.209 5.241 0.010) 8.125 6.104 ( 4.343 -4.838 -0.024) 6.502 6.113 ( 4.542 -4.748 0.079) 6.571 6.274 ( 0.034 1.188 0.051) 1.189 6.286 ( -0.129 1.574 -0.059) 1.580 6.386 ( -2.654 1.728 0.042) 3.167 6.387 ( -2.685 1.785 -0.089) 3.225 6.538 ( 1.984 -1.770 0.649) 2.737 6.552 ( 2.213 -2.042 -0.572) 3.065 7.170 ( -0.299 -0.217 0.014) 0.369 7.175 ( -0.326 0.007 0.009) 0.327 7.424 ( -1.957 2.793 0.668) 3.475 7.455 ( -2.674 2.871 -0.727) 3.990 7.627 ( 1.554 -1.768 -0.168) 2.360 7.655 ( 1.491 -1.421 0.150) 2.065 ======================= Grid point 110 (46/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -1.941 3.250 -0.110) 3.787 1.083 ( 2.886 2.984 -0.010) 4.151 1.151 ( -3.481 4.071 -0.272) 5.363 1.294 ( -0.672 2.304 0.270) 2.415 1.487 ( 2.732 -2.372 0.622) 3.671 1.553 ( -0.277 -0.287 -0.575) 0.700 1.569 ( -4.057 -0.583 -0.694) 4.157 1.609 ( 0.963 0.580 -0.081) 1.127 1.657 ( 0.246 1.245 -0.110) 1.274 1.727 ( -1.582 0.273 1.284) 2.056 1.750 ( -1.579 1.817 -1.810) 3.012 1.758 ( 5.788 -1.267 0.365) 5.936 1.916 ( 0.278 -1.686 4.103) 4.445 1.949 ( -0.486 -1.285 -3.806) 4.046 1.993 ( 0.332 -0.046 0.376) 0.504 2.012 ( -2.333 -3.399 0.060) 4.123 2.042 ( 4.951 -3.844 -0.805) 6.319 2.158 ( -2.833 2.130 1.354) 3.794 2.238 ( -6.560 4.174 -1.215) 7.869 2.295 ( 4.652 -2.579 0.516) 5.344 2.442 ( 0.629 -5.738 -0.104) 5.773 2.493 ( -1.669 -1.734 -0.041) 2.408 2.560 ( -3.121 -3.913 1.584) 5.250 2.576 ( -2.121 -4.225 -1.739) 5.038 2.776 ( 1.818 5.541 -0.014) 5.832 2.783 ( 2.833 5.673 -0.000) 6.341 2.824 ( 2.252 3.743 -0.040) 4.369 2.837 ( 2.881 2.598 0.046) 3.880 3.435 ( -3.825 -6.406 -0.071) 7.461 3.456 ( -2.902 -6.210 0.033) 6.855 4.535 ( 0.829 0.622 0.019) 1.036 4.535 ( 1.108 0.488 -0.014) 1.211 4.944 ( 1.450 1.438 0.042) 2.043 4.950 ( 1.139 1.117 -0.052) 1.596 5.225 ( -1.619 -1.001 -0.022) 1.903 5.231 ( -1.772 -0.971 0.007) 2.021 5.304 ( 0.885 2.678 -0.009) 2.821 5.311 ( 1.038 2.955 0.026) 3.132 5.727 ( 0.630 1.294 0.004) 1.440 5.730 ( 0.369 1.167 -0.014) 1.224 6.015 ( -0.679 -2.230 -0.058) 2.331 6.024 ( -0.688 -2.069 0.008) 2.181 6.277 ( 0.700 0.412 -0.046) 0.814 6.294 ( 0.709 0.751 0.023) 1.033 6.430 ( -0.187 0.394 -0.025) 0.436 6.433 ( 0.005 0.370 0.007) 0.370 6.496 ( 0.323 -0.892 -0.015) 0.948 6.512 ( -0.534 -0.551 -0.009) 0.768 7.173 ( -0.213 -0.005 -0.015) 0.213 7.180 ( -0.166 0.166 0.017) 0.236 7.453 ( 1.428 0.687 -0.063) 1.586 7.507 ( -0.130 1.428 0.037) 1.435 7.602 ( -0.830 -0.722 -0.098) 1.105 7.623 ( 0.142 -0.896 0.075) 0.910 ======================= Grid point 111 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 15.520 -2.640 0.000) 15.743 0.991 ( 11.106 -0.816 0.000) 11.136 0.997 ( 8.159 -1.447 0.000) 8.286 1.103 ( 14.490 -2.618 0.000) 14.725 1.571 ( -0.916 0.588 -0.000) 1.089 1.619 ( -0.922 1.114 -0.000) 1.446 1.656 ( -2.544 0.217 -0.000) 2.553 1.665 ( -2.715 0.100 -0.000) 2.717 1.702 ( -0.928 -0.393 0.000) 1.007 1.745 ( -12.388 7.610 -0.000) 14.538 1.768 ( 11.155 -4.331 0.000) 11.966 1.829 ( -5.122 2.905 -0.000) 5.889 1.922 ( -11.198 5.526 -0.000) 12.487 1.927 ( 15.002 -5.927 0.000) 16.131 1.964 ( 1.877 -2.704 0.000) 3.292 1.990 ( -2.447 -0.975 0.000) 2.634 2.014 ( -1.888 1.268 -0.000) 2.274 2.059 ( -5.582 -1.645 0.000) 5.820 2.251 ( -1.989 1.157 -0.000) 2.301 2.274 ( 0.325 0.619 -0.000) 0.700 2.450 ( -4.254 -3.781 0.000) 5.691 2.509 ( -2.619 -3.194 0.000) 4.131 2.638 ( 7.813 -0.231 0.000) 7.817 2.644 ( 7.617 -0.712 0.000) 7.650 2.724 ( -13.674 1.348 -0.000) 13.740 2.742 ( -12.888 0.026 -0.000) 12.888 2.996 ( -5.354 10.151 -0.000) 11.477 3.006 ( -5.315 11.220 -0.000) 12.415 3.436 ( -3.824 -6.476 0.000) 7.521 3.444 ( -2.877 -6.094 0.000) 6.739 4.508 ( 1.750 -0.482 0.000) 1.815 4.515 ( 1.546 -0.328 0.000) 1.580 4.863 ( 6.425 -1.639 0.000) 6.631 4.870 ( 6.215 -1.754 0.000) 6.458 5.260 ( -0.022 0.652 -0.000) 0.652 5.265 ( 0.662 0.835 -0.000) 1.066 5.324 ( -0.609 2.707 -0.000) 2.774 5.326 ( -1.948 2.434 -0.000) 3.117 5.623 ( 7.958 -3.008 0.000) 8.507 5.627 ( 7.985 -2.991 0.000) 8.527 6.095 ( -6.705 1.252 -0.000) 6.820 6.103 ( -6.509 1.290 -0.000) 6.636 6.256 ( 1.622 -0.437 0.000) 1.680 6.275 ( 1.730 -0.206 0.000) 1.743 6.393 ( 2.748 -0.943 0.000) 2.905 6.395 ( 2.709 -0.953 0.000) 2.872 6.519 ( -2.004 0.426 -0.000) 2.048 6.558 ( -3.323 0.834 -0.000) 3.426 7.178 ( -0.213 0.244 -0.000) 0.324 7.183 ( 0.022 0.223 -0.000) 0.224 7.399 ( 3.823 -1.017 0.000) 3.956 7.474 ( 3.625 -0.648 0.000) 3.683 7.633 ( -2.392 0.265 -0.000) 2.407 7.644 ( -1.959 0.471 -0.000) 2.015 ======================= Grid point 114 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 14.647 0.000 2.593) 14.874 0.493 ( 10.149 0.000 2.663) 10.493 0.696 ( 8.746 -0.000 -3.021) 9.253 0.701 ( -0.923 -0.000 -6.200) 6.268 1.012 ( 25.083 0.000 3.966) 25.394 1.085 ( 17.865 0.000 1.574) 17.934 1.648 ( -0.406 0.000 0.758) 0.860 1.661 ( -3.064 0.000 2.790) 4.144 1.709 ( -1.975 -0.000 -1.900) 2.741 1.797 ( -1.419 0.000 0.084) 1.421 1.834 ( -1.317 0.000 1.978) 2.376 1.917 ( -0.309 -0.000 -2.136) 2.158 1.936 ( -0.279 0.000 0.254) 0.377 2.091 ( -2.659 -0.000 -3.141) 4.115 2.119 ( -1.981 0.000 2.376) 3.093 2.242 ( -2.599 0.000 2.092) 3.336 2.249 ( -5.353 -0.000 -3.982) 6.672 2.260 ( -2.859 0.000 1.865) 3.413 2.432 ( 2.809 -0.000 -0.012) 2.809 2.434 ( 2.862 -0.000 -0.166) 2.867 2.474 ( -8.828 -0.000 -2.116) 9.078 2.476 ( -7.699 -0.000 -1.759) 7.897 2.573 ( -3.361 0.000 1.186) 3.564 2.592 ( -3.114 0.000 0.666) 3.184 3.154 ( -8.969 0.000 0.235) 8.972 3.164 ( -8.788 0.000 -0.117) 8.788 3.286 ( -2.718 0.000 0.015) 2.718 3.288 ( -2.400 0.000 -0.059) 2.401 3.500 ( -4.437 0.000 0.405) 4.455 3.520 ( -5.557 -0.000 -0.244) 5.562 4.443 ( 1.003 0.000 0.174) 1.018 4.447 ( 1.234 -0.000 0.018) 1.234 4.578 ( 7.083 0.000 0.431) 7.096 4.588 ( 7.157 -0.000 -0.073) 7.158 5.158 ( 3.734 -0.000 0.082) 3.735 5.165 ( 3.586 -0.000 -0.166) 3.589 5.264 ( 8.449 -0.000 0.125) 8.450 5.268 ( 8.060 -0.000 -0.007) 8.060 5.442 ( -2.557 0.000 0.037) 2.557 5.448 ( -2.114 -0.000 -0.190) 2.122 6.171 ( 2.141 0.000 0.232) 2.153 6.184 ( 2.201 -0.000 -0.241) 2.214 6.223 ( 2.739 0.000 0.249) 2.751 6.235 ( 2.141 -0.000 -0.188) 2.149 6.399 ( -5.006 0.000 -0.020) 5.006 6.402 ( -5.104 -0.000 -0.153) 5.107 6.608 ( -2.214 0.000 2.154) 3.089 6.687 ( -3.343 -0.000 -0.960) 3.478 7.184 ( 0.124 0.000 0.170) 0.211 7.192 ( -0.196 -0.000 -0.107) 0.223 7.243 ( 3.959 0.000 0.540) 3.995 7.287 ( 5.008 -0.000 -1.163) 5.141 7.706 ( -1.003 0.000 0.125) 1.011 7.712 ( -1.572 -0.000 -0.079) 1.573 ======================= Grid point 116 (49/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 2.380 12.470) 12.695 0.414 ( 0.000 10.365 7.292) 12.673 0.591 ( 0.000 8.052 -4.399) 9.175 0.641 ( 0.000 8.990 -7.604) 11.774 0.682 ( 0.000 18.459 6.356) 19.522 0.855 ( -0.000 2.510 -5.262) 5.830 1.669 ( 0.000 -0.132 1.532) 1.537 1.713 ( -0.000 0.195 -1.907) 1.917 1.760 ( 0.000 -1.419 1.441) 2.022 1.778 ( -0.000 -6.482 0.657) 6.515 1.868 ( 0.000 -0.286 0.947) 0.989 1.870 ( -0.000 -0.802 -0.517) 0.954 2.028 ( -0.000 -0.836 -2.319) 2.465 2.034 ( -0.000 -1.568 -3.538) 3.869 2.159 ( -0.000 -1.453 1.265) 1.927 2.202 ( -0.000 1.753 -2.969) 3.448 2.304 ( 0.000 -0.859 2.067) 2.239 2.311 ( -0.000 -2.323 2.066) 3.108 2.398 ( 0.000 1.633 0.092) 1.636 2.400 ( 0.000 1.622 -0.024) 1.622 2.570 ( -0.000 -4.904 -0.009) 4.904 2.581 ( -0.000 -4.779 -0.151) 4.781 2.604 ( -0.000 -2.728 0.325) 2.747 2.637 ( -0.000 -3.175 -1.497) 3.510 3.289 ( -0.000 -2.708 0.015) 2.708 3.290 ( -0.000 -2.344 -0.075) 2.345 3.292 ( -0.000 -3.616 0.106) 3.617 3.294 ( -0.000 -3.815 -0.079) 3.816 3.551 ( -0.000 -5.052 1.155) 5.183 3.581 ( -0.000 -4.957 -1.014) 5.059 4.441 ( 0.000 0.706 0.126) 0.718 4.446 ( 0.000 0.693 -0.218) 0.727 4.492 ( 0.000 5.839 0.301) 5.846 4.495 ( 0.000 5.832 0.155) 5.834 5.123 ( 0.000 2.121 0.331) 2.147 5.129 ( 0.000 2.165 -0.204) 2.174 5.151 ( 0.000 6.262 0.209) 6.265 5.157 ( 0.000 6.270 -0.268) 6.276 5.461 ( -0.000 -2.501 0.266) 2.515 5.467 ( -0.000 -2.740 -0.153) 2.745 6.160 ( 0.000 1.253 0.396) 1.314 6.164 ( 0.000 3.019 0.128) 3.022 6.177 ( 0.000 2.704 -0.117) 2.707 6.182 ( 0.000 0.826 -0.529) 0.981 6.468 ( -0.000 -3.515 -0.056) 3.515 6.473 ( -0.000 -3.628 -0.453) 3.656 6.677 ( -0.000 -3.584 2.862) 4.586 6.725 ( -0.000 -2.567 -1.229) 2.846 7.145 ( 0.000 0.093 0.469) 0.478 7.158 ( -0.000 0.011 -0.494) 0.494 7.225 ( 0.000 2.938 0.190) 2.944 7.237 ( 0.000 3.965 -0.953) 4.078 7.718 ( -0.000 -0.756 0.529) 0.923 7.732 ( -0.000 -0.563 -0.478) 0.739 ======================= Grid point 117 (50/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 1.048 3.697 7.783) 8.680 0.547 ( -0.536 9.752 2.359) 10.048 0.607 ( -0.016 0.592 -5.867) 5.897 0.693 ( -3.334 8.990 -3.600) 10.241 1.033 ( -12.613 18.065 1.773) 22.104 1.061 ( -11.180 15.542 0.317) 19.148 1.657 ( 1.349 -0.501 1.527) 2.098 1.691 ( 2.403 -1.758 0.562) 3.030 1.713 ( -0.031 -0.402 -0.280) 0.491 1.772 ( -0.908 -2.664 -0.058) 2.815 1.818 ( 1.522 -1.280 -0.743) 2.123 1.891 ( 0.424 -0.319 -2.036) 2.104 1.954 ( 0.683 -1.616 0.166) 1.762 2.064 ( -2.214 -3.830 -1.115) 4.562 2.136 ( 2.055 -1.209 1.624) 2.885 2.174 ( 1.835 -2.236 -1.753) 3.382 2.267 ( 1.853 -1.934 0.794) 2.794 2.299 ( 0.839 -1.960 1.193) 2.443 2.433 ( -1.318 2.323 0.041) 2.671 2.436 ( -0.891 2.329 -0.014) 2.494 2.451 ( 6.625 -6.943 -0.174) 9.599 2.456 ( 4.829 -6.430 0.048) 8.042 2.572 ( -0.401 -2.827 -0.820) 2.971 2.620 ( -0.388 -2.850 -0.351) 2.898 3.171 ( 5.077 -8.252 0.023) 9.689 3.172 ( 4.877 -8.124 -0.021) 9.475 3.272 ( 1.687 -1.670 0.004) 2.374 3.274 ( 1.822 -1.829 0.010) 2.582 3.479 ( 1.539 -5.274 0.286) 5.502 3.521 ( 0.358 -4.918 -0.223) 4.936 4.465 ( -1.328 1.155 0.010) 1.760 4.473 ( -1.671 1.140 -0.004) 2.022 4.582 ( -2.603 7.075 0.178) 7.541 4.583 ( -2.582 6.903 0.161) 7.372 5.161 ( -1.291 3.189 0.289) 3.452 5.166 ( -1.219 3.216 -0.273) 3.450 5.261 ( -4.003 7.041 0.030) 8.099 5.268 ( -4.146 7.186 -0.013) 8.296 5.418 ( 1.387 -3.090 -0.033) 3.387 5.427 ( 0.930 -3.035 0.100) 3.176 6.183 ( -0.916 1.291 0.511) 1.663 6.193 ( -0.726 1.170 -0.565) 1.488 6.219 ( -1.777 3.405 0.222) 3.847 6.228 ( -1.866 2.977 -0.218) 3.521 6.402 ( 2.623 -4.348 -0.048) 5.078 6.405 ( 2.545 -4.318 -0.166) 5.015 6.641 ( 1.530 -2.375 2.264) 3.621 6.674 ( 1.675 -2.702 -1.638) 3.576 7.157 ( -0.826 -0.254 0.275) 0.907 7.163 ( -0.577 -0.261 -0.277) 0.691 7.275 ( -1.598 3.816 0.705) 4.197 7.290 ( -1.757 4.130 -1.035) 4.606 7.705 ( 0.717 -1.127 0.422) 1.401 7.717 ( 0.594 -0.870 -0.385) 1.121 ======================= Grid point 118 (51/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -6.631 7.600 -0.733) 10.113 0.667 ( -6.936 9.293 -0.020) 11.596 0.760 ( -8.214 7.554 1.248) 11.229 0.857 ( -5.565 8.822 -0.913) 10.470 1.417 ( -12.245 11.640 0.977) 16.923 1.428 ( -11.562 11.186 -1.218) 16.134 1.638 ( 1.134 0.317 1.141) 1.640 1.673 ( -1.394 2.385 -0.072) 2.764 1.696 ( 1.156 -1.382 0.316) 1.829 1.761 ( -0.111 -1.248 2.864) 3.126 1.787 ( -0.334 -0.956 -3.057) 3.220 1.844 ( 2.381 -0.038 -0.689) 2.479 1.938 ( 0.227 -2.206 0.818) 2.364 2.024 ( 1.488 -3.746 -1.454) 4.285 2.074 ( 3.450 -1.787 0.625) 3.935 2.099 ( 2.583 -5.705 -0.117) 6.264 2.157 ( 9.270 -8.168 1.396) 12.434 2.213 ( 2.810 -4.259 -1.150) 5.231 2.278 ( 7.067 -4.901 0.647) 8.624 2.305 ( 2.078 -1.030 -0.304) 2.338 2.511 ( -2.995 4.435 0.037) 5.352 2.513 ( -3.101 4.440 -0.041) 5.415 2.539 ( 0.080 -3.748 -0.368) 3.766 2.582 ( 1.162 -2.815 -0.104) 3.047 2.963 ( 6.530 -11.700 -0.024) 13.399 2.975 ( 6.304 -11.189 0.033) 12.842 3.171 ( 8.686 0.186 -0.007) 8.688 3.179 ( 8.228 0.139 0.032) 8.230 3.432 ( -2.330 -5.552 -0.038) 6.021 3.480 ( -1.671 -5.355 0.027) 5.610 4.501 ( -1.036 1.658 -0.014) 1.955 4.513 ( -1.039 1.680 0.036) 1.976 4.721 ( -5.092 6.532 0.048) 8.282 4.721 ( -4.962 6.777 0.047) 8.400 5.223 ( -1.519 3.436 0.166) 3.760 5.226 ( -1.591 3.468 -0.170) 3.820 5.332 ( 1.883 -2.900 0.090) 3.459 5.338 ( 1.382 -2.553 -0.099) 2.904 5.454 ( -5.900 5.976 0.058) 8.398 5.454 ( -5.746 5.784 -0.026) 8.153 6.197 ( 0.707 -1.682 0.056) 1.825 6.208 ( 0.619 -1.035 -0.064) 1.208 6.270 ( 0.365 1.352 0.091) 1.403 6.276 ( 0.574 1.077 -0.066) 1.222 6.329 ( -0.633 -0.405 -0.031) 0.752 6.336 ( -0.365 -0.613 -0.003) 0.713 6.596 ( 1.964 -2.045 1.312) 3.125 6.609 ( 2.117 -2.236 -1.205) 3.306 7.166 ( -0.522 -0.357 0.001) 0.633 7.169 ( -0.468 -0.183 0.012) 0.502 7.354 ( -2.453 3.593 0.805) 4.424 7.367 ( -2.892 3.671 -0.873) 4.754 7.672 ( 1.540 -1.538 0.022) 2.176 7.692 ( 1.059 -1.173 -0.017) 1.580 ======================= Grid point 119 (52/125) ======================= q-point: ( 0.78 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -14.942 10.533 -0.000) 18.281 0.894 ( -7.760 6.590 -0.000) 10.181 1.029 ( -4.348 6.712 -0.000) 7.997 1.042 ( -13.109 9.871 -0.000) 16.410 1.548 ( -0.918 -0.157 0.000) 0.932 1.616 ( 0.025 0.299 -0.000) 0.300 1.626 ( 2.744 -4.490 0.000) 5.262 1.644 ( -1.882 1.275 -0.000) 2.273 1.726 ( 0.612 -0.616 0.000) 0.868 1.731 ( 4.213 -0.411 0.000) 4.233 1.793 ( 12.566 -7.613 0.000) 14.692 1.896 ( -5.040 1.850 -0.000) 5.368 1.920 ( -3.111 1.064 -0.000) 3.288 1.955 ( 0.023 3.478 -0.000) 3.478 1.976 ( -5.048 0.860 -0.000) 5.120 1.996 ( 1.656 -4.363 0.000) 4.667 2.057 ( -0.116 -1.585 0.000) 1.589 2.070 ( 4.827 -0.959 0.000) 4.922 2.160 ( 3.900 -2.374 0.000) 4.566 2.290 ( -0.494 0.169 -0.000) 0.522 2.498 ( -0.550 -4.563 0.000) 4.596 2.528 ( 1.157 -3.168 0.000) 3.373 2.631 ( -4.352 6.461 -0.000) 7.790 2.633 ( -4.074 5.511 -0.000) 6.854 2.732 ( 5.988 -10.228 0.000) 11.851 2.734 ( 8.005 -11.229 0.000) 13.791 2.998 ( 10.769 0.425 0.000) 10.777 3.002 ( 11.686 0.598 0.000) 11.701 3.430 ( -3.716 -5.955 0.000) 7.020 3.466 ( -2.860 -5.879 0.000) 6.537 4.529 ( -0.186 1.480 -0.000) 1.492 4.537 ( 0.139 1.387 -0.000) 1.394 4.872 ( -4.455 5.473 -0.000) 7.057 4.874 ( -4.852 5.219 -0.000) 7.126 5.256 ( 1.378 -3.400 0.000) 3.669 5.262 ( 1.110 -2.867 0.000) 3.074 5.281 ( 0.248 2.268 -0.000) 2.282 5.285 ( -0.138 3.205 -0.000) 3.208 5.625 ( -6.126 5.454 -0.000) 8.202 5.626 ( -6.201 5.230 -0.000) 8.112 6.104 ( 4.337 -4.857 0.000) 6.511 6.113 ( 4.542 -4.749 0.000) 6.572 6.275 ( 0.057 1.141 -0.000) 1.142 6.285 ( -0.149 1.612 -0.000) 1.619 6.386 ( -2.537 1.671 -0.000) 3.038 6.386 ( -2.794 1.840 -0.000) 3.345 6.541 ( 2.141 -1.969 0.000) 2.909 6.549 ( 2.062 -1.865 0.000) 2.780 7.170 ( -0.306 -0.232 0.000) 0.384 7.175 ( -0.318 0.019 -0.000) 0.318 7.428 ( -1.818 2.713 -0.000) 3.266 7.451 ( -2.814 2.948 -0.000) 4.076 7.626 ( 1.582 -1.761 0.000) 2.367 7.656 ( 1.462 -1.431 0.000) 2.046 ======================= Grid point 124 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 12.675 0.226 0.958) 12.713 0.710 ( 17.531 -1.893 0.434) 17.638 0.801 ( 10.792 -0.937 0.217) 10.835 0.858 ( 9.690 -1.732 -2.417) 10.136 1.433 ( 17.537 -3.434 0.985) 17.897 1.461 ( 19.859 -4.058 -0.403) 20.274 1.631 ( -0.839 0.946 0.749) 1.470 1.654 ( 2.050 -0.331 3.650) 4.199 1.668 ( -1.995 -0.653 -1.123) 2.381 1.773 ( -2.256 0.568 1.847) 2.971 1.800 ( -2.211 0.520 1.617) 2.788 1.877 ( -1.845 1.945 -1.291) 2.976 1.920 ( -1.650 -0.036 -0.809) 1.838 2.024 ( -3.373 0.031 -3.239) 4.677 2.075 ( -4.182 0.681 1.015) 4.357 2.110 ( -9.760 0.790 -0.197) 9.794 2.154 ( -7.390 3.762 2.361) 8.622 2.195 ( -6.854 -0.137 2.825) 7.414 2.285 ( -5.669 2.711 -3.254) 7.076 2.307 ( -6.027 1.210 -2.605) 6.676 2.509 ( 1.864 -0.877 0.352) 2.090 2.517 ( 5.121 -0.170 -0.147) 5.126 2.522 ( -0.831 -1.069 0.882) 1.616 2.545 ( -2.750 -1.842 0.214) 3.317 2.967 ( -12.247 -0.335 0.232) 12.254 2.973 ( -12.763 -0.067 -0.001) 12.763 3.184 ( -4.485 8.153 0.170) 9.306 3.192 ( -4.155 8.069 -0.166) 9.077 3.442 ( -3.638 -3.877 -0.073) 5.317 3.453 ( -4.455 -4.725 0.184) 6.497 4.472 ( 1.676 -0.730 0.171) 1.836 4.479 ( 1.693 -0.807 -0.058) 1.876 4.720 ( 7.784 -1.335 0.262) 7.902 4.728 ( 7.690 -1.357 -0.079) 7.809 5.225 ( 3.618 0.307 0.048) 3.632 5.227 ( 3.526 0.435 -0.077) 3.554 5.382 ( -1.841 1.958 0.108) 2.689 5.390 ( -1.735 1.795 -0.275) 2.511 5.442 ( 8.417 -3.001 0.060) 8.936 5.443 ( 8.088 -2.858 0.032) 8.578 6.209 ( -0.087 0.695 0.282) 0.755 6.219 ( -1.607 1.033 -0.064) 1.912 6.229 ( -1.659 -0.776 0.145) 1.837 6.238 ( -0.883 -0.888 0.031) 1.253 6.345 ( 0.890 -0.074 0.013) 0.893 6.348 ( 0.757 -0.158 -0.060) 0.776 6.574 ( -2.305 0.382 1.387) 2.718 6.619 ( -3.433 0.610 -0.914) 3.604 7.184 ( 0.061 0.277 0.025) 0.285 7.186 ( -0.147 0.309 0.019) 0.342 7.328 ( 4.412 -1.046 1.119) 4.670 7.375 ( 4.837 -0.967 -1.230) 5.083 7.677 ( -2.004 0.556 -0.049) 2.081 7.683 ( -1.799 0.077 0.090) 1.803 ======================= Grid point 125 (54/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 11.706 0.000 4.508) 12.544 0.514 ( 8.111 0.000 1.902) 8.331 0.649 ( 3.641 -0.000 -5.696) 6.760 0.667 ( 9.179 -0.000 -3.644) 9.876 1.046 ( 23.062 0.000 3.963) 23.400 1.094 ( 17.971 0.000 0.525) 17.978 1.656 ( -0.573 0.000 1.108) 1.247 1.689 ( -3.125 0.000 3.693) 4.838 1.694 ( -1.702 -0.000 -1.803) 2.479 1.786 ( -1.353 -0.000 -2.689) 3.010 1.851 ( -0.635 0.000 2.048) 2.144 1.898 ( 0.601 -0.000 -2.123) 2.206 1.952 ( -1.975 0.000 3.090) 3.667 2.060 ( -2.812 -0.000 -4.168) 5.028 2.139 ( -1.912 0.000 2.421) 3.085 2.215 ( -3.875 -0.000 -3.984) 5.558 2.260 ( -2.435 0.000 2.188) 3.274 2.274 ( -2.355 0.000 1.437) 2.758 2.432 ( 2.762 -0.000 0.017) 2.762 2.433 ( 2.941 -0.000 -0.037) 2.941 2.457 ( -9.267 -0.000 -1.851) 9.450 2.461 ( -8.357 -0.000 -1.744) 8.538 2.583 ( -3.161 0.000 1.104) 3.348 2.596 ( -3.124 0.000 0.247) 3.134 3.156 ( -8.925 0.000 0.297) 8.930 3.163 ( -8.807 0.000 -0.198) 8.809 3.287 ( -2.658 0.000 0.028) 2.658 3.288 ( -2.448 -0.000 -0.064) 2.449 3.504 ( -4.627 0.000 0.533) 4.658 3.517 ( -5.369 -0.000 -0.407) 5.384 4.444 ( 1.026 0.000 0.189) 1.044 4.447 ( 1.177 -0.000 -0.020) 1.177 4.582 ( 7.059 0.000 0.384) 7.070 4.588 ( 7.145 -0.000 -0.113) 7.146 5.159 ( 3.708 0.000 0.122) 3.710 5.163 ( 3.615 -0.000 -0.191) 3.621 5.265 ( 8.365 -0.000 0.131) 8.366 5.268 ( 8.126 -0.000 -0.031) 8.126 5.442 ( -2.492 0.000 0.077) 2.493 5.446 ( -2.191 -0.000 -0.204) 2.200 6.173 ( 2.173 0.000 0.305) 2.194 6.182 ( 2.218 -0.000 -0.312) 2.239 6.225 ( 2.659 0.000 0.310) 2.677 6.233 ( 2.272 -0.000 -0.258) 2.287 6.398 ( -4.948 0.000 0.007) 4.948 6.401 ( -5.008 -0.000 -0.153) 5.010 6.627 ( -2.752 0.000 2.392) 3.646 6.677 ( -3.314 -0.000 -1.427) 3.608 7.185 ( 0.062 0.000 0.216) 0.225 7.190 ( -0.147 -0.000 -0.160) 0.217 7.248 ( 4.258 0.000 0.802) 4.333 7.276 ( 5.019 -0.000 -1.314) 5.188 7.708 ( -1.103 0.000 0.161) 1.115 7.712 ( -1.476 -0.000 -0.122) 1.481 ======================= Grid point 127 (55/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -0.000 4.674 9.324) 10.430 0.473 ( -0.000 9.086 6.439) 11.136 0.548 ( -0.000 6.600 -4.765) 8.140 0.573 ( 0.000 5.696 -8.529) 10.256 0.742 ( 0.000 14.473 7.666) 16.378 0.804 ( 0.000 8.564 -6.971) 11.043 1.683 ( 0.000 0.153 1.717) 1.724 1.697 ( -0.000 0.334 -1.839) 1.869 1.771 ( 0.000 -2.922 1.099) 3.122 1.778 ( 0.000 -4.919 -0.565) 4.952 1.870 ( 0.000 -1.606 0.544) 1.695 1.873 ( -0.000 -1.451 0.139) 1.457 2.013 ( -0.000 -0.307 -1.195) 1.234 2.013 ( 0.000 -0.466 -1.384) 1.460 2.170 ( 0.000 -0.515 1.325) 1.421 2.182 ( -0.000 0.692 -1.875) 1.999 2.318 ( -0.000 -1.322 1.181) 1.773 2.321 ( -0.000 -1.859 0.353) 1.893 2.399 ( -0.000 1.638 0.094) 1.641 2.399 ( -0.000 1.633 -0.066) 1.635 2.572 ( 0.000 -4.342 0.476) 4.368 2.577 ( 0.000 -4.115 -0.737) 4.180 2.611 ( 0.000 -3.611 1.309) 3.841 2.624 ( 0.000 -3.583 -1.582) 3.916 3.289 ( 0.000 -2.661 0.038) 2.661 3.289 ( -0.000 -2.530 -0.061) 2.531 3.293 ( -0.000 -3.613 0.111) 3.614 3.293 ( -0.000 -3.685 -0.101) 3.687 3.562 ( 0.000 -5.010 1.266) 5.168 3.572 ( 0.000 -4.976 -1.209) 5.121 4.442 ( -0.000 0.710 0.177) 0.732 4.444 ( -0.000 0.706 -0.213) 0.738 4.494 ( 0.000 5.878 0.220) 5.882 4.495 ( 0.000 5.885 -0.057) 5.885 5.125 ( 0.000 2.146 0.284) 2.165 5.127 ( 0.000 2.164 -0.246) 2.177 5.153 ( 0.000 6.259 0.255) 6.264 5.155 ( 0.000 6.261 -0.276) 6.267 5.463 ( 0.000 -2.567 0.261) 2.580 5.465 ( 0.000 -2.650 -0.217) 2.659 6.163 ( 0.000 1.885 0.289) 1.907 6.165 ( -0.000 2.682 -0.011) 2.683 6.176 ( -0.000 2.041 0.076) 2.042 6.178 ( 0.000 1.204 -0.402) 1.270 6.468 ( 0.000 -3.521 0.118) 3.523 6.470 ( 0.000 -3.561 -0.317) 3.575 6.697 ( 0.000 -3.293 2.140) 3.927 6.713 ( 0.000 -2.892 -1.625) 3.317 7.149 ( 0.000 0.067 0.541) 0.545 7.154 ( 0.000 0.039 -0.551) 0.552 7.227 ( -0.000 3.271 0.340) 3.289 7.231 ( -0.000 3.651 -0.590) 3.699 7.723 ( 0.000 -0.690 0.583) 0.903 7.728 ( 0.000 -0.623 -0.563) 0.839 ======================= Grid point 128 (56/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 3.729 0.587 -0.000) 3.775 0.537 ( 1.868 7.176 -0.000) 7.415 0.591 ( -3.958 5.334 -0.000) 6.642 0.674 ( -3.919 9.605 -0.000) 10.373 1.041 ( -11.895 16.762 -0.000) 20.554 1.062 ( -11.762 16.397 -0.000) 20.179 1.664 ( 1.479 0.002 0.000) 1.479 1.690 ( 1.977 -1.922 0.000) 2.757 1.715 ( -0.052 -0.133 0.000) 0.142 1.769 ( -0.647 -2.748 0.000) 2.823 1.817 ( 1.495 -2.053 0.000) 2.539 1.881 ( 0.804 -0.230 0.000) 0.836 1.956 ( 0.156 -1.582 0.000) 1.589 2.059 ( -2.395 -4.045 0.000) 4.701 2.145 ( 2.948 -0.201 0.000) 2.955 2.164 ( 0.819 -2.505 0.000) 2.636 2.271 ( 1.951 -1.959 0.000) 2.765 2.305 ( 0.949 -2.153 0.000) 2.353 2.433 ( -1.507 2.560 -0.000) 2.970 2.436 ( -1.012 2.489 -0.000) 2.687 2.450 ( 7.297 -7.263 0.000) 10.296 2.456 ( 4.904 -6.195 0.000) 7.901 2.569 ( -0.542 -2.975 0.000) 3.024 2.619 ( -0.535 -2.939 0.000) 2.987 3.171 ( 5.106 -8.243 0.000) 9.696 3.172 ( 4.845 -8.129 0.000) 9.463 3.272 ( 1.682 -1.628 0.000) 2.341 3.274 ( 1.810 -1.881 0.000) 2.610 3.480 ( 1.722 -5.291 0.000) 5.565 3.520 ( 0.206 -4.892 0.000) 4.897 4.465 ( -1.308 1.156 -0.000) 1.746 4.473 ( -1.713 1.129 -0.000) 2.051 4.583 ( -2.528 7.143 -0.000) 7.577 4.583 ( -2.629 6.843 -0.000) 7.330 5.163 ( -1.325 3.168 -0.000) 3.434 5.165 ( -1.171 3.240 -0.000) 3.445 5.261 ( -3.982 7.021 -0.000) 8.072 5.268 ( -4.180 7.199 -0.000) 8.325 5.418 ( 1.412 -3.086 0.000) 3.394 5.427 ( 0.925 -3.022 0.000) 3.160 6.186 ( -0.881 1.698 -0.000) 1.913 6.189 ( -0.766 0.752 -0.000) 1.073 6.220 ( -1.735 3.478 -0.000) 3.887 6.227 ( -1.913 2.921 -0.000) 3.492 6.402 ( 2.655 -4.362 0.000) 5.106 6.404 ( 2.480 -4.272 0.000) 4.939 6.657 ( 1.702 -2.637 0.000) 3.138 6.660 ( 1.571 -2.576 0.000) 3.017 7.159 ( -0.698 -0.280 0.000) 0.752 7.161 ( -0.714 -0.233 0.000) 0.750 7.281 ( -1.580 3.958 -0.000) 4.262 7.282 ( -1.801 4.049 -0.000) 4.431 7.708 ( 0.884 -1.103 0.000) 1.413 7.715 ( 0.432 -0.892 0.000) 0.991 ======================= Grid point 134 (57/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 14.545 -0.947 1.955) 14.706 0.978 ( 11.746 -0.217 -0.645) 11.765 1.014 ( 8.403 -1.663 0.570) 8.585 1.086 ( 15.459 -4.373 -0.936) 16.093 1.583 ( -0.211 0.927 0.799) 1.242 1.606 ( -1.700 0.562 -0.931) 2.018 1.640 ( -1.208 -0.434 0.076) 1.285 1.667 ( -0.452 -0.723 -1.202) 1.474 1.695 ( -2.578 3.142 0.627) 4.112 1.776 ( -1.100 1.855 -0.227) 2.169 1.787 ( -10.883 6.210 2.478) 12.773 1.883 ( -2.396 -0.126 2.698) 3.610 1.896 ( -4.808 1.734 -0.665) 5.154 1.926 ( 10.721 -4.324 -0.080) 11.561 1.946 ( 0.968 -3.202 -0.638) 3.406 1.993 ( 0.002 -2.017 -1.410) 2.461 2.059 ( -2.540 0.419 2.981) 3.939 2.077 ( -2.024 1.311 1.411) 2.794 2.189 ( -2.698 2.000 -3.357) 4.748 2.261 ( -0.380 -1.774 -1.152) 2.149 2.467 ( -4.256 -2.896 0.972) 5.238 2.509 ( -2.564 -2.862 -0.206) 3.848 2.639 ( 7.758 -0.435 0.046) 7.771 2.642 ( 7.376 -0.615 -0.106) 7.403 2.728 ( -13.798 1.504 0.262) 13.882 2.751 ( -11.747 0.119 0.395) 11.754 2.997 ( -5.314 10.459 0.119) 11.732 3.004 ( -5.350 10.997 -0.131) 12.230 3.439 ( -3.243 -6.188 0.125) 6.987 3.443 ( -3.400 -6.299 -0.041) 7.159 4.510 ( 1.713 -0.404 0.102) 1.763 4.514 ( 1.523 -0.391 -0.070) 1.574 4.863 ( 6.256 -1.550 0.022) 6.445 4.871 ( 6.361 -1.812 0.066) 6.614 5.262 ( 0.143 0.678 0.112) 0.702 5.264 ( 0.496 0.769 -0.064) 0.917 5.321 ( -1.140 2.608 -0.123) 2.849 5.325 ( -1.368 2.507 -0.040) 2.857 5.623 ( 7.943 -2.935 0.007) 8.468 5.627 ( 7.960 -3.001 0.026) 8.507 6.100 ( -6.645 1.353 0.318) 6.789 6.105 ( -6.555 1.335 0.036) 6.690 6.261 ( 1.631 -0.291 0.309) 1.685 6.272 ( 1.737 -0.288 -0.220) 1.775 6.393 ( 2.752 -0.935 0.022) 2.907 6.394 ( 2.724 -0.936 -0.053) 2.881 6.531 ( -2.383 0.598 0.824) 2.592 6.551 ( -3.010 0.762 -0.566) 3.156 7.180 ( -0.179 0.244 0.108) 0.322 7.182 ( -0.039 0.222 -0.086) 0.241 7.416 ( 3.717 -0.722 1.182) 3.966 7.457 ( 3.789 -0.886 -1.136) 4.053 7.633 ( -2.029 0.585 -0.008) 2.111 7.646 ( -2.238 0.184 0.072) 2.247 ======================= Grid point 135 (58/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 14.751 1.363 0.363) 14.819 0.716 ( 16.217 -2.288 0.763) 16.395 0.804 ( 11.013 -1.316 0.451) 11.101 0.839 ( 9.971 -2.203 -2.098) 10.425 1.442 ( 17.182 -3.334 1.055) 17.534 1.457 ( 18.146 -3.565 -0.659) 18.505 1.634 ( -1.322 1.035 0.174) 1.688 1.660 ( -1.569 -0.807 -0.674) 1.888 1.691 ( 2.569 -0.280 4.685) 5.350 1.772 ( 0.189 -1.283 -2.288) 2.630 1.817 ( -2.700 2.637 2.487) 4.520 1.864 ( -1.955 2.054 -1.871) 3.398 1.929 ( -2.198 -0.459 2.632) 3.459 1.993 ( -3.104 -0.512 -4.035) 5.116 2.079 ( -5.455 1.386 0.136) 5.630 2.108 ( -7.783 -0.076 -0.251) 7.787 2.179 ( -8.636 4.614 3.340) 10.345 2.220 ( -6.828 0.509 2.970) 7.463 2.258 ( -5.304 2.067 -3.074) 6.470 2.283 ( -5.923 0.472 -3.189) 6.743 2.511 ( 4.223 -0.406 0.109) 4.244 2.516 ( 5.280 -0.408 -0.122) 5.297 2.530 ( -3.287 -1.091 0.812) 3.557 2.546 ( -2.626 -1.625 -0.019) 3.088 2.969 ( -12.263 -0.233 0.210) 12.267 2.972 ( -12.638 -0.156 -0.058) 12.639 3.186 ( -4.445 8.205 0.179) 9.333 3.190 ( -4.191 8.002 -0.176) 9.035 3.442 ( -3.645 -3.779 -0.034) 5.250 3.454 ( -4.437 -4.778 0.106) 6.521 4.473 ( 1.693 -0.657 0.143) 1.821 4.478 ( 1.646 -0.873 -0.069) 1.865 4.723 ( 7.709 -1.274 0.213) 7.817 4.727 ( 7.714 -1.410 -0.097) 7.842 5.225 ( 3.604 0.327 0.064) 3.619 5.227 ( 3.558 0.395 -0.083) 3.581 5.384 ( -1.890 1.925 0.177) 2.703 5.388 ( -1.745 1.806 -0.286) 2.527 5.442 ( 8.694 -2.999 0.048) 9.197 5.443 ( 7.856 -2.832 0.012) 8.351 6.211 ( -0.243 0.689 0.252) 0.773 6.218 ( -0.988 1.017 -0.113) 1.422 6.230 ( -1.446 -0.795 0.087) 1.652 6.238 ( -1.415 -0.826 0.031) 1.638 6.345 ( 0.899 -0.035 0.014) 0.900 6.347 ( 0.750 -0.188 -0.044) 0.775 6.586 ( -2.630 0.460 1.543) 3.084 6.610 ( -3.215 0.571 -1.237) 3.492 7.184 ( 0.001 0.313 0.018) 0.313 7.186 ( -0.097 0.267 0.011) 0.284 7.338 ( 4.559 -0.962 1.355) 4.852 7.364 ( 4.815 -1.053 -1.426) 5.131 7.676 ( -1.947 0.657 -0.026) 2.055 7.683 ( -1.850 -0.017 0.053) 1.850 ======================= Grid point 136 (59/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 8.045 0.000 5.579) 9.790 0.511 ( 5.806 -0.000 -3.080) 6.572 0.622 ( 8.758 0.000 -0.276) 8.762 0.638 ( 9.668 -0.000 -3.262) 10.204 1.075 ( 20.933 0.000 2.847) 21.126 1.092 ( 19.094 0.000 -1.147) 19.128 1.666 ( -0.913 -0.000 1.452) 1.715 1.679 ( -1.322 -0.000 -1.675) 2.134 1.722 ( -2.676 0.000 4.172) 4.956 1.756 ( -1.934 -0.000 -4.076) 4.512 1.868 ( 0.133 0.000 1.851) 1.856 1.882 ( 0.626 -0.000 -1.780) 1.887 1.984 ( -2.601 -0.000 4.485) 5.185 2.023 ( -2.830 -0.000 -4.740) 5.521 2.160 ( -2.161 -0.000 2.688) 3.449 2.185 ( -2.775 0.000 -3.297) 4.310 2.276 ( -2.105 0.000 1.385) 2.519 2.281 ( -1.995 -0.000 0.121) 1.999 2.432 ( 2.932 -0.000 0.103) 2.934 2.433 ( 3.429 0.000 -0.035) 3.430 2.446 ( -10.020 0.000 -0.527) 10.034 2.449 ( -9.225 -0.000 -1.030) 9.283 2.591 ( -3.067 0.000 0.777) 3.164 2.596 ( -3.076 -0.000 -0.294) 3.090 3.158 ( -8.877 -0.000 0.306) 8.883 3.161 ( -8.836 0.000 -0.268) 8.840 3.287 ( -2.586 -0.000 0.043) 2.587 3.287 ( -2.513 0.000 -0.057) 2.513 3.508 ( -4.866 0.000 0.580) 4.900 3.513 ( -5.125 -0.000 -0.533) 5.153 4.446 ( 1.065 0.000 0.153) 1.076 4.447 ( 1.117 -0.000 -0.086) 1.120 4.585 ( 7.082 0.000 0.272) 7.088 4.587 ( 7.119 0.000 -0.175) 7.121 5.160 ( 3.678 0.000 0.158) 3.681 5.162 ( 3.646 -0.000 -0.184) 3.651 5.266 ( 8.282 -0.000 0.106) 8.283 5.267 ( 8.202 0.000 -0.068) 8.202 5.443 ( -2.401 -0.000 0.129) 2.404 5.445 ( -2.294 0.000 -0.178) 2.301 6.176 ( 2.202 0.000 0.344) 2.229 6.179 ( 2.219 -0.000 -0.346) 2.246 6.228 ( 2.550 -0.000 0.326) 2.571 6.231 ( 2.416 0.000 -0.306) 2.435 6.399 ( -4.918 -0.000 0.057) 4.918 6.399 ( -4.939 0.000 -0.114) 4.940 6.646 ( -3.088 0.000 2.228) 3.808 6.663 ( -3.248 -0.000 -1.866) 3.746 7.187 ( -0.011 -0.000 0.226) 0.226 7.189 ( -0.083 -0.000 -0.204) 0.220 7.256 ( 4.587 -0.000 1.046) 4.705 7.265 ( 4.867 0.000 -1.240) 5.022 7.709 ( -1.225 0.000 0.171) 1.237 7.710 ( -1.355 -0.000 -0.157) 1.364 ======================= Grid point 144 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -1.765 3.429 0.382) 3.876 1.079 ( 3.381 2.460 -0.273) 4.190 1.172 ( -3.810 5.806 0.832) 6.994 1.275 ( -3.012 2.558 -0.752) 4.023 1.463 ( 0.675 -2.086 -0.553) 2.261 1.578 ( 0.006 0.947 0.859) 1.279 1.610 ( 1.036 0.184 0.166) 1.066 1.618 ( 1.063 -2.368 1.466) 2.981 1.669 ( 0.878 1.324 0.668) 1.724 1.703 ( -2.720 1.284 -0.382) 3.032 1.739 ( 4.283 -0.930 -0.113) 4.384 1.765 ( 1.210 0.336 -2.323) 2.641 1.874 ( -1.765 -1.702 1.549) 2.900 1.966 ( -0.314 -1.606 -1.105) 1.974 2.004 ( -0.193 -0.762 0.290) 0.838 2.024 ( -3.081 -0.124 1.221) 3.317 2.049 ( -3.596 0.955 -1.669) 4.078 2.146 ( 1.834 -1.083 1.944) 2.884 2.249 ( 5.759 -3.023 -2.149) 6.850 2.280 ( -3.867 1.554 0.766) 4.237 2.455 ( -0.154 -5.038 0.642) 5.081 2.495 ( -2.737 -0.570 0.025) 2.795 2.528 ( -0.538 -6.492 -0.719) 6.554 2.614 ( -2.989 -2.047 0.787) 3.707 2.777 ( 2.445 5.272 0.030) 5.812 2.783 ( 1.944 6.152 -0.001) 6.452 2.828 ( 2.342 3.398 0.203) 4.132 2.833 ( 3.097 2.812 -0.217) 4.188 3.440 ( -3.827 -6.401 0.202) 7.461 3.453 ( -2.831 -6.123 -0.130) 6.748 4.534 ( 0.837 0.599 -0.013) 1.029 4.535 ( 1.061 0.526 0.003) 1.184 4.942 ( 1.415 1.373 -0.043) 1.972 4.953 ( 1.076 1.281 0.061) 1.674 5.227 ( -1.775 -0.901 0.055) 1.991 5.231 ( -1.546 -1.150 -0.026) 1.927 5.305 ( 0.937 2.726 0.036) 2.883 5.309 ( 1.049 2.881 -0.068) 3.066 5.727 ( 0.635 1.249 -0.003) 1.401 5.730 ( 0.437 1.199 0.021) 1.276 6.019 ( -0.803 -1.967 0.198) 2.134 6.023 ( -0.851 -2.013 -0.103) 2.188 6.281 ( 0.638 0.679 0.113) 0.938 6.292 ( 0.761 0.566 -0.070) 0.951 6.431 ( 0.016 0.363 0.064) 0.369 6.433 ( 0.003 0.342 -0.034) 0.344 6.497 ( -0.517 -0.340 0.039) 0.620 6.513 ( 0.022 -0.863 0.010) 0.863 7.174 ( -0.259 0.114 0.041) 0.285 7.179 ( -0.152 0.062 -0.044) 0.170 7.457 ( 0.336 1.492 0.123) 1.535 7.505 ( 1.103 0.629 -0.065) 1.272 7.609 ( -0.699 -0.733 0.437) 1.103 7.617 ( -0.085 -0.759 -0.400) 0.862 ======================= Grid point 145 (61/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 13.848 -0.291 1.538) 13.936 0.971 ( 12.089 0.017 -0.972) 12.128 1.017 ( 8.864 -1.671 0.216) 9.022 1.080 ( 15.610 -5.166 -0.411) 16.448 1.589 ( 0.450 1.128 0.604) 1.356 1.599 ( -2.179 0.498 -0.641) 2.326 1.644 ( -1.316 -0.550 0.749) 1.611 1.656 ( 0.400 -0.945 -1.315) 1.668 1.701 ( -4.070 3.757 0.483) 5.559 1.774 ( -1.734 2.691 -0.188) 3.207 1.803 ( -11.170 6.746 1.157) 13.100 1.885 ( -8.167 2.919 -0.553) 8.690 1.907 ( 2.091 -3.096 1.479) 4.019 1.926 ( 8.742 -3.634 -0.049) 9.468 1.943 ( 1.558 -3.497 -0.174) 3.833 1.982 ( 0.712 -2.610 -0.913) 2.855 2.079 ( -1.809 0.521 1.608) 2.476 2.086 ( -0.946 2.052 0.655) 2.353 2.166 ( -3.638 2.201 -1.788) 4.613 2.253 ( -0.498 -2.415 -0.547) 2.526 2.473 ( -4.281 -2.728 0.448) 5.096 2.507 ( -2.553 -2.747 -0.163) 3.754 2.639 ( 7.746 -0.532 0.031) 7.764 2.641 ( 7.315 -0.546 -0.053) 7.335 2.729 ( -13.733 1.535 0.116) 13.819 2.754 ( -11.505 0.151 0.147) 11.507 2.998 ( -5.284 10.612 0.066) 11.855 3.003 ( -5.379 10.870 -0.070) 12.128 3.439 ( -2.872 -6.011 0.060) 6.662 3.443 ( -3.754 -6.452 -0.027) 7.464 4.511 ( 1.712 -0.356 0.053) 1.750 4.514 ( 1.506 -0.434 -0.040) 1.568 4.863 ( 6.215 -1.527 0.008) 6.400 4.872 ( 6.395 -1.826 0.026) 6.650 5.263 ( 0.265 0.701 0.097) 0.756 5.264 ( 0.374 0.733 -0.078) 0.826 5.320 ( -1.199 2.597 -0.048) 2.861 5.325 ( -1.294 2.512 -0.017) 2.826 5.623 ( 7.939 -2.915 0.003) 8.457 5.628 ( 7.953 -3.003 0.010) 8.501 6.103 ( -6.603 1.412 0.188) 6.755 6.105 ( -6.594 1.319 -0.048) 6.724 6.263 ( 1.622 -0.191 0.183) 1.643 6.270 ( 1.751 -0.370 -0.148) 1.796 6.393 ( 2.757 -0.938 0.035) 2.913 6.393 ( 2.725 -0.926 -0.047) 2.878 6.538 ( -2.639 0.720 0.738) 2.834 6.546 ( -2.774 0.669 -0.637) 2.924 7.180 ( -0.170 0.255 0.099) 0.322 7.182 ( -0.056 0.211 -0.090) 0.236 7.425 ( 3.582 -0.435 0.817) 3.699 7.448 ( 3.942 -1.157 -0.798) 4.185 7.633 ( -1.942 0.665 -0.003) 2.052 7.646 ( -2.301 0.114 0.028) 2.304 ======================= Grid point 146 (62/125) ======================= q-point: (-0.56 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 15.628 1.800 0.000) 15.732 0.720 ( 15.741 -2.478 0.000) 15.935 0.807 ( 10.805 -1.085 0.000) 10.860 0.829 ( 10.271 -2.722 0.000) 10.626 1.450 ( 16.854 -3.234 0.000) 17.162 1.450 ( 17.755 -3.459 0.000) 18.088 1.634 ( -1.501 1.097 -0.000) 1.859 1.657 ( -1.476 -0.929 0.000) 1.744 1.720 ( 2.513 0.680 -0.000) 2.604 1.752 ( 1.414 -2.405 0.000) 2.790 1.833 ( -3.364 3.218 -0.000) 4.655 1.851 ( -1.577 1.890 -0.000) 2.461 1.954 ( -1.689 -0.115 -0.000) 1.692 1.963 ( -3.713 -1.231 0.000) 3.911 2.079 ( -5.949 1.679 -0.000) 6.181 2.107 ( -7.115 -0.364 -0.000) 7.124 2.199 ( -10.955 5.920 -0.000) 12.452 2.229 ( -3.362 1.532 -0.000) 3.694 2.254 ( -10.542 1.542 -0.000) 10.654 2.259 ( -2.003 -1.366 0.000) 2.424 2.512 ( 4.757 -0.238 0.000) 4.763 2.515 ( 5.223 -0.555 0.000) 5.252 2.533 ( -3.915 -1.022 0.000) 4.046 2.545 ( -2.408 -1.564 0.000) 2.872 2.970 ( -12.258 -0.120 -0.000) 12.258 2.972 ( -12.599 -0.263 -0.000) 12.602 3.187 ( -4.435 8.292 -0.000) 9.404 3.189 ( -4.199 7.909 -0.000) 8.954 3.442 ( -3.647 -3.743 0.000) 5.226 3.454 ( -4.431 -4.796 0.000) 6.530 4.474 ( 1.712 -0.597 0.000) 1.813 4.478 ( 1.615 -0.931 0.000) 1.864 4.724 ( 7.662 -1.209 0.000) 7.757 4.727 ( 7.742 -1.472 0.000) 7.880 5.226 ( 3.574 0.353 0.000) 3.592 5.226 ( 3.594 0.361 0.000) 3.612 5.385 ( -2.332 2.040 -0.000) 3.098 5.386 ( -1.326 1.682 -0.000) 2.142 5.442 ( 8.854 -3.001 0.000) 9.348 5.443 ( 7.714 -2.819 0.000) 8.213 6.213 ( -0.422 0.677 -0.000) 0.798 6.217 ( -0.610 1.014 -0.000) 1.183 6.230 ( -1.381 -0.799 0.000) 1.595 6.238 ( -1.622 -0.799 0.000) 1.808 6.345 ( 0.906 -0.014 0.000) 0.906 6.347 ( 0.745 -0.206 0.000) 0.773 6.598 ( -2.945 0.602 -0.000) 3.006 6.599 ( -2.941 0.443 -0.000) 2.974 7.184 ( -0.025 0.328 -0.000) 0.329 7.186 ( -0.075 0.249 -0.000) 0.260 7.348 ( 4.636 -0.677 0.000) 4.685 7.355 ( 4.787 -1.338 0.000) 4.971 7.676 ( -1.928 0.692 -0.000) 2.048 7.684 ( -1.866 -0.048 -0.000) 1.866 ======================= Grid point 154 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -11.349 10.479 0.754) 15.465 0.902 ( -9.138 6.987 0.501) 11.514 0.981 ( -15.181 10.322 -1.401) 18.412 1.037 ( -3.535 5.476 0.121) 6.520 1.570 ( 0.727 -1.495 0.764) 1.829 1.580 ( 0.468 -0.649 -1.181) 1.426 1.654 ( 1.328 -2.446 2.018) 3.438 1.682 ( 1.329 -1.686 -0.882) 2.321 1.720 ( -3.714 4.523 0.310) 5.861 1.732 ( 6.044 -1.775 0.869) 6.359 1.776 ( -2.912 2.367 -2.252) 4.376 1.882 ( 7.035 -2.617 1.842) 7.729 1.908 ( 6.240 -4.642 -1.768) 7.976 1.943 ( -1.111 -2.372 0.631) 2.695 1.948 ( -8.120 7.886 -0.156) 11.321 1.987 ( -0.458 -1.644 -1.296) 2.143 2.040 ( 3.259 -1.564 0.224) 3.622 2.066 ( 0.813 -4.076 0.068) 4.156 2.232 ( 1.058 -2.129 1.329) 2.724 2.273 ( -0.429 -0.111 -0.704) 0.832 2.520 ( 0.545 -3.778 0.937) 3.931 2.528 ( 1.013 -2.914 -0.605) 3.144 2.632 ( -4.443 5.967 0.009) 7.440 2.633 ( -3.605 5.916 0.004) 6.928 2.726 ( 6.852 -11.437 -0.059) 13.332 2.739 ( 6.982 -9.570 0.049) 11.847 2.996 ( 11.133 0.307 -0.025) 11.137 3.003 ( 11.242 0.726 0.009) 11.266 3.436 ( -3.802 -6.000 0.090) 7.104 3.463 ( -2.764 -5.727 -0.055) 6.359 4.530 ( -0.105 1.502 0.017) 1.506 4.535 ( 0.042 1.402 -0.034) 1.403 4.871 ( -4.478 5.513 -0.023) 7.103 4.873 ( -4.954 5.239 -0.011) 7.210 5.254 ( 1.194 -3.358 -0.022) 3.564 5.267 ( 1.245 -3.041 0.060) 3.286 5.279 ( -0.172 2.946 -0.025) 2.951 5.286 ( 0.299 2.623 0.016) 2.640 5.625 ( -6.145 5.375 0.012) 8.164 5.625 ( -6.297 5.358 -0.014) 8.268 6.106 ( 4.390 -4.642 0.050) 6.389 6.110 ( 4.538 -4.803 -0.079) 6.609 6.273 ( -0.098 1.447 -0.021) 1.451 6.287 ( -0.028 1.375 0.025) 1.376 6.385 ( -2.811 1.784 -0.001) 3.329 6.389 ( -2.584 1.749 0.026) 3.121 6.525 ( 1.639 -1.299 -0.150) 2.097 6.562 ( 2.517 -2.355 0.109) 3.449 7.170 ( -0.249 -0.107 -0.008) 0.271 7.175 ( -0.390 -0.084 -0.004) 0.399 7.411 ( -2.228 3.021 -0.173) 3.757 7.470 ( -2.384 2.672 0.204) 3.587 7.634 ( 1.166 -1.908 0.161) 2.242 7.649 ( 1.887 -1.257 -0.151) 2.272 ======================= Grid point 155 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -1.830 3.477 -0.000) 3.929 1.078 ( 3.503 2.380 -0.000) 4.235 1.176 ( -3.719 6.113 -0.000) 7.155 1.271 ( -3.435 2.500 -0.000) 4.248 1.461 ( 0.574 -2.099 0.000) 2.176 1.582 ( 0.061 1.168 -0.000) 1.169 1.610 ( 0.327 0.371 -0.000) 0.495 1.625 ( 2.709 -2.940 0.000) 3.998 1.673 ( 1.231 1.209 -0.000) 1.725 1.702 ( -3.266 1.407 -0.000) 3.556 1.742 ( 3.851 -0.666 0.000) 3.908 1.749 ( 1.385 0.094 0.000) 1.388 1.882 ( -2.092 -1.812 0.000) 2.767 1.960 ( -0.052 -1.482 0.000) 1.483 2.005 ( 0.198 -0.529 0.000) 0.564 2.035 ( -0.904 -2.524 0.000) 2.681 2.035 ( -7.294 3.942 -0.000) 8.291 2.156 ( 2.025 -1.291 0.000) 2.401 2.238 ( 6.296 -3.305 0.000) 7.111 2.284 ( -3.711 1.370 -0.000) 3.956 2.458 ( -0.212 -4.999 0.000) 5.004 2.495 ( -2.928 -0.349 -0.000) 2.949 2.525 ( -0.315 -6.673 0.000) 6.680 2.618 ( -2.979 -1.928 0.000) 3.548 2.777 ( 2.565 5.212 -0.000) 5.809 2.783 ( 1.786 6.244 -0.000) 6.495 2.829 ( 2.205 3.339 -0.000) 4.001 2.832 ( 3.281 2.850 -0.000) 4.346 3.441 ( -3.850 -6.409 0.000) 7.476 3.452 ( -2.799 -6.103 0.000) 6.714 4.534 ( 0.831 0.600 -0.000) 1.025 4.535 ( 1.061 0.526 -0.000) 1.185 4.942 ( 1.412 1.371 -0.000) 1.968 4.953 ( 1.066 1.297 -0.000) 1.678 5.227 ( -1.819 -0.871 0.000) 2.016 5.230 ( -1.493 -1.191 0.000) 1.910 5.305 ( 0.944 2.737 -0.000) 2.896 5.309 ( 1.050 2.866 -0.000) 3.053 5.727 ( 0.637 1.244 -0.000) 1.398 5.731 ( 0.445 1.202 -0.000) 1.282 6.020 ( -0.801 -1.881 0.000) 2.044 6.022 ( -0.892 -2.056 0.000) 2.241 6.281 ( 0.625 0.732 -0.000) 0.962 6.292 ( 0.773 0.524 -0.000) 0.934 6.431 ( 0.079 0.359 -0.000) 0.368 6.433 ( -0.032 0.337 -0.000) 0.339 6.497 ( -0.638 -0.261 0.000) 0.690 6.513 ( 0.104 -0.909 0.000) 0.915 7.174 ( -0.268 0.139 -0.000) 0.302 7.179 ( -0.147 0.038 -0.000) 0.152 7.458 ( 0.163 1.618 -0.000) 1.626 7.504 ( 1.294 0.506 -0.000) 1.389 7.613 ( -1.152 -0.865 0.000) 1.441 7.614 ( 0.356 -0.611 0.000) 0.707 ======================= Grid point 163 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -14.130 11.530 -0.000) 18.237 0.667 ( -1.945 7.909 -0.000) 8.144 0.670 ( -6.800 4.525 -0.000) 8.168 0.900 ( -4.225 7.455 -0.000) 8.569 1.397 ( -12.973 13.191 -0.000) 18.501 1.469 ( -16.342 17.365 -0.000) 23.845 1.599 ( 0.441 -1.264 0.000) 1.338 1.603 ( 1.412 -0.669 0.000) 1.563 1.720 ( 0.857 -0.842 0.000) 1.201 1.725 ( 1.091 -1.511 0.000) 1.863 1.805 ( 1.890 -1.715 0.000) 2.553 1.876 ( 5.771 -2.275 0.000) 6.203 1.986 ( -0.894 -0.083 -0.000) 0.898 2.007 ( 2.354 -3.764 0.000) 4.440 2.044 ( 2.381 -3.351 0.000) 4.111 2.124 ( 1.707 -6.443 0.000) 6.665 2.148 ( 7.420 -5.442 0.000) 9.202 2.185 ( 5.687 -4.230 0.000) 7.087 2.297 ( 2.928 -3.941 0.000) 4.910 2.300 ( 2.833 -5.133 0.000) 5.863 2.509 ( -3.266 4.014 -0.000) 5.175 2.516 ( -2.447 4.560 -0.000) 5.175 2.568 ( 0.625 -2.827 0.000) 2.895 2.583 ( 1.664 -2.077 0.000) 2.661 2.967 ( 6.370 -11.744 0.000) 13.360 2.971 ( 6.521 -11.132 0.000) 12.901 3.172 ( 8.347 -0.146 0.000) 8.348 3.176 ( 8.604 0.489 0.000) 8.618 3.435 ( -2.624 -5.641 0.000) 6.221 3.477 ( -1.484 -5.221 0.000) 5.428 4.503 ( -1.038 1.708 -0.000) 1.998 4.510 ( -0.985 1.708 -0.000) 1.972 4.717 ( -5.058 6.982 -0.000) 8.622 4.718 ( -5.288 6.438 -0.000) 8.331 5.219 ( -1.752 3.394 -0.000) 3.820 5.230 ( -1.370 3.508 -0.000) 3.766 5.328 ( 1.750 -2.806 0.000) 3.307 5.342 ( 1.429 -2.727 0.000) 3.078 5.451 ( -5.922 5.927 -0.000) 8.379 5.454 ( -5.825 5.842 -0.000) 8.250 6.194 ( 0.351 -1.122 0.000) 1.175 6.211 ( 1.181 -1.667 0.000) 2.043 6.266 ( 0.318 1.198 -0.000) 1.239 6.279 ( 0.552 1.356 -0.000) 1.464 6.332 ( -0.317 -0.702 0.000) 0.770 6.337 ( -0.547 -0.452 0.000) 0.709 6.564 ( 1.330 -1.129 0.000) 1.744 6.633 ( 2.513 -2.709 0.000) 3.695 7.166 ( -0.755 -0.203 0.000) 0.782 7.168 ( -0.201 -0.319 0.000) 0.378 7.335 ( -2.376 3.497 -0.000) 4.228 7.391 ( -2.798 3.557 -0.000) 4.526 7.671 ( 0.893 -1.646 0.000) 1.872 7.693 ( 1.639 -1.046 0.000) 1.944 ======================= Grid point 172 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 0.000 15.867 -0.000) 15.867 0.566 ( 0.000 11.051 -0.000) 11.051 0.763 ( -0.000 -2.477 0.000) 2.477 0.832 ( 0.000 8.507 -0.000) 8.507 1.100 ( 0.000 26.310 -0.000) 26.310 1.125 ( 0.000 20.056 -0.000) 20.056 1.620 ( -0.000 -1.770 0.000) 1.770 1.647 ( -0.000 -3.019 0.000) 3.019 1.735 ( -0.000 -0.069 0.000) 0.069 1.760 ( -0.000 -0.013 0.000) 0.013 1.837 ( -0.000 -2.199 0.000) 2.199 1.913 ( -0.000 -0.905 0.000) 0.905 2.015 ( -0.000 -2.939 0.000) 2.939 2.073 ( -0.000 -3.245 0.000) 3.245 2.074 ( -0.000 -2.915 0.000) 2.915 2.108 ( -0.000 -5.061 0.000) 5.061 2.255 ( -0.000 -0.656 0.000) 0.656 2.287 ( -0.000 -1.991 0.000) 1.991 2.390 ( -0.000 -11.763 0.000) 11.763 2.407 ( -0.000 -10.659 0.000) 10.659 2.451 ( 0.000 3.646 -0.000) 3.646 2.453 ( 0.000 3.385 -0.000) 3.385 2.576 ( -0.000 -1.831 0.000) 1.831 2.601 ( -0.000 -3.368 0.000) 3.368 3.175 ( -0.000 -7.051 0.000) 7.051 3.180 ( -0.000 -7.044 0.000) 7.044 3.187 ( -0.000 -8.788 0.000) 8.788 3.190 ( -0.000 -8.940 0.000) 8.940 3.446 ( -0.000 -2.554 0.000) 2.554 3.496 ( -0.000 -3.748 0.000) 3.748 4.457 ( 0.000 1.014 -0.000) 1.014 4.466 ( 0.000 0.931 -0.000) 0.931 4.636 ( 0.000 8.589 -0.000) 8.589 4.640 ( 0.000 8.897 -0.000) 8.897 5.175 ( 0.000 3.305 -0.000) 3.305 5.186 ( 0.000 2.976 -0.000) 2.976 5.316 ( 0.000 9.931 -0.000) 9.931 5.327 ( 0.000 9.709 -0.000) 9.709 5.396 ( -0.000 -4.000 0.000) 4.000 5.397 ( -0.000 -3.366 0.000) 3.366 6.172 ( 0.000 0.526 -0.000) 0.526 6.204 ( 0.000 0.353 -0.000) 0.353 6.238 ( 0.000 4.256 -0.000) 4.256 6.258 ( 0.000 4.364 -0.000) 4.364 6.376 ( -0.000 -5.355 0.000) 5.355 6.382 ( -0.000 -5.634 0.000) 5.634 6.589 ( -0.000 -1.164 0.000) 1.164 6.682 ( -0.000 -3.419 0.000) 3.419 7.142 ( 0.000 0.229 -0.000) 0.229 7.164 ( -0.000 -0.085 0.000) 0.085 7.289 ( 0.000 3.833 -0.000) 3.833 7.340 ( 0.000 4.329 -0.000) 4.329 7.686 ( -0.000 -1.548 0.000) 1.548 7.723 ( -0.000 -1.041 0.000) 1.041 ======================= Grid point 173 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -5.261 16.983 0.004) 17.779 0.667 ( -1.652 7.885 1.057) 8.125 0.766 ( 1.859 9.728 -0.469) 9.915 0.931 ( -1.685 8.517 -0.541) 8.699 1.382 ( -6.265 17.551 -0.112) 18.636 1.442 ( -8.761 21.963 -0.557) 23.653 1.599 ( 0.513 -1.079 0.712) 1.391 1.617 ( 0.697 -1.190 1.293) 1.891 1.727 ( 0.991 -0.995 -0.324) 1.441 1.733 ( 1.713 -0.588 -0.071) 1.813 1.804 ( 0.665 -3.001 0.391) 3.098 1.909 ( -0.792 -4.130 -0.492) 4.234 1.964 ( 1.879 -1.180 -3.306) 3.981 2.018 ( 1.587 -3.074 1.929) 3.961 2.037 ( 0.666 -3.841 -1.538) 4.191 2.067 ( 0.589 -4.925 2.582) 5.592 2.203 ( 4.673 -7.218 -1.664) 8.758 2.215 ( 3.873 -6.552 1.168) 7.700 2.271 ( 0.223 -5.799 0.290) 5.810 2.278 ( 1.099 -7.003 0.865) 7.141 2.509 ( -1.599 4.404 0.028) 4.685 2.519 ( -2.190 4.137 -0.100) 4.682 2.552 ( 0.584 -1.538 -0.648) 1.768 2.567 ( -0.096 -3.134 -0.120) 3.138 2.969 ( 7.041 -11.240 -0.143) 13.265 2.974 ( 6.666 -11.370 0.117) 13.180 3.190 ( -3.700 -6.797 0.011) 7.739 3.195 ( -4.445 -7.030 -0.027) 8.317 3.390 ( 3.876 -1.989 0.071) 4.358 3.434 ( 3.053 -3.312 -0.021) 4.504 4.487 ( -1.896 1.069 -0.007) 2.176 4.494 ( -1.920 0.964 0.005) 2.148 4.737 ( -1.582 8.546 0.082) 8.692 4.744 ( -1.512 8.963 0.058) 9.090 5.223 ( -1.571 3.090 0.051) 3.467 5.234 ( -1.765 2.685 -0.027) 3.214 5.335 ( 1.945 -3.249 0.060) 3.787 5.345 ( 1.651 -2.897 -0.017) 3.335 5.447 ( -2.889 9.213 0.033) 9.655 5.452 ( -2.618 9.151 -0.004) 9.518 6.177 ( -0.426 -1.861 0.058) 1.910 6.202 ( 0.144 -2.320 -0.090) 2.326 6.286 ( -0.098 2.869 0.073) 2.871 6.303 ( 0.389 1.835 -0.042) 1.876 6.318 ( 0.228 -2.410 -0.040) 2.421 6.322 ( -0.144 -1.313 0.006) 1.321 6.570 ( 0.713 -1.433 0.292) 1.627 6.635 ( 1.269 -3.457 -0.205) 3.688 7.152 ( -0.682 0.105 0.042) 0.691 7.163 ( -0.075 -0.130 -0.039) 0.156 7.340 ( -1.281 3.944 0.175) 4.150 7.394 ( -1.288 4.112 -0.232) 4.315 7.666 ( 0.477 -1.782 0.138) 1.850 7.703 ( 0.890 -1.363 -0.115) 1.632 ======================= Grid point 174 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -6.559 13.811 -2.637) 15.515 0.886 ( -2.948 10.770 -0.498) 11.177 0.891 ( -9.214 14.283 3.307) 17.316 1.050 ( -2.740 7.273 -0.146) 7.774 1.567 ( 0.435 -0.807 -0.564) 1.077 1.584 ( -0.487 1.062 0.566) 1.299 1.639 ( 0.527 0.331 -3.006) 3.070 1.685 ( -1.304 1.995 -0.575) 2.451 1.708 ( -1.592 4.049 4.051) 5.945 1.758 ( 0.246 -1.319 -1.450) 1.976 1.810 ( -0.897 0.842 1.937) 2.295 1.867 ( -4.089 11.124 -0.348) 11.856 1.913 ( 0.057 -3.754 -2.020) 4.264 1.936 ( 4.940 -7.827 -1.139) 9.325 1.958 ( 2.136 -4.863 3.114) 6.157 2.008 ( 2.673 -6.434 -1.342) 7.096 2.032 ( 3.042 -2.014 0.604) 3.698 2.080 ( 2.654 -5.172 1.374) 5.974 2.213 ( 0.441 -3.173 -0.233) 3.212 2.264 ( -0.425 -0.580 0.764) 1.049 2.490 ( 1.433 -3.379 -1.651) 4.024 2.509 ( 1.018 -3.826 0.375) 3.977 2.624 ( -3.580 6.241 -0.023) 7.194 2.639 ( -3.412 6.711 -0.204) 7.531 2.730 ( 6.667 -10.899 -0.086) 12.777 2.748 ( 5.739 -10.284 0.009) 11.777 3.153 ( 3.610 -2.687 0.129) 4.501 3.170 ( 3.623 -2.204 -0.126) 4.243 3.295 ( 0.080 -6.792 -0.073) 6.793 3.342 ( 0.372 -7.082 0.054) 7.092 4.531 ( -1.516 1.133 -0.093) 1.895 4.538 ( -1.464 1.028 0.108) 1.792 4.862 ( -3.304 7.448 0.101) 8.149 4.870 ( -3.050 7.791 0.016) 8.366 5.242 ( 1.546 -3.574 0.100) 3.895 5.255 ( 1.301 -3.432 -0.078) 3.671 5.302 ( -0.891 2.586 0.050) 2.735 5.312 ( -0.646 2.273 -0.040) 2.363 5.598 ( -4.074 8.128 0.018) 9.092 5.599 ( -4.022 8.127 0.029) 9.067 6.114 ( 2.687 -6.159 -0.090) 6.720 6.122 ( 3.153 -6.391 0.095) 7.127 6.287 ( -0.078 1.138 0.012) 1.141 6.299 ( -0.292 0.947 -0.016) 0.991 6.361 ( -2.147 2.587 0.068) 3.362 6.370 ( -1.763 2.637 -0.060) 3.172 6.538 ( 1.305 -1.628 0.281) 2.106 6.573 ( 1.854 -3.049 -0.234) 3.576 7.164 ( -0.443 -0.042 -0.105) 0.457 7.166 ( -0.421 -0.006 0.123) 0.439 7.409 ( -1.902 3.634 0.361) 4.118 7.461 ( -2.018 3.355 -0.405) 3.936 7.633 ( 1.132 -2.049 0.086) 2.343 7.665 ( 1.560 -1.681 -0.096) 2.295 ======================= Grid point 175 (69/125) ======================= q-point: ( 0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -4.160 6.613 -0.970) 7.873 1.103 ( -10.322 13.589 -2.242) 17.212 1.142 ( -0.931 4.258 0.809) 4.433 1.215 ( -9.282 10.537 2.607) 14.283 1.502 ( 5.065 -5.168 1.245) 7.343 1.575 ( 0.070 -0.458 -2.328) 2.374 1.589 ( 0.867 -3.863 -0.343) 3.974 1.632 ( 1.976 -2.428 0.688) 3.205 1.712 ( 2.454 1.255 -2.076) 3.451 1.726 ( 3.930 -1.796 -0.851) 4.404 1.789 ( 1.238 -1.296 -0.619) 1.897 1.824 ( 4.233 -2.217 0.721) 4.833 1.842 ( 1.996 -3.622 1.401) 4.367 1.912 ( -1.047 -4.654 0.488) 4.795 1.942 ( -4.329 1.721 -1.059) 4.778 2.012 ( 0.741 -1.199 -0.290) 1.439 2.033 ( -1.424 1.784 3.177) 3.912 2.127 ( -3.178 2.321 0.420) 3.958 2.222 ( -4.793 5.119 -1.352) 7.141 2.275 ( -0.705 0.126 0.820) 1.088 2.416 ( 2.001 -4.562 -1.506) 5.204 2.456 ( 0.103 -4.472 0.227) 4.479 2.502 ( 6.386 -8.735 0.540) 10.834 2.555 ( 1.802 -7.391 -1.042) 7.679 2.807 ( -5.150 10.072 -0.133) 11.313 2.810 ( -5.444 10.305 -0.020) 11.655 3.004 ( 11.063 0.331 0.076) 11.068 3.015 ( 11.634 0.611 -0.064) 11.650 3.267 ( -5.557 -10.214 -0.193) 11.630 3.296 ( -4.670 -10.407 0.029) 11.407 4.554 ( 0.136 0.868 -0.049) 0.880 4.558 ( 0.370 0.750 0.068) 0.839 4.980 ( -1.372 5.124 -0.017) 5.305 4.983 ( -0.805 5.296 0.045) 5.357 5.181 ( -0.474 -3.670 0.066) 3.701 5.189 ( 0.048 -3.916 -0.105) 3.918 5.345 ( -0.081 2.791 -0.097) 2.793 5.352 ( -0.055 2.788 0.124) 2.791 5.738 ( -2.915 5.917 -0.105) 6.597 5.740 ( -2.825 6.082 0.070) 6.706 5.994 ( 2.490 -6.147 -0.209) 6.636 6.000 ( 2.545 -6.140 0.175) 6.649 6.299 ( 0.340 1.060 -0.242) 1.139 6.312 ( 0.329 0.983 0.181) 1.052 6.422 ( -1.930 1.842 -0.076) 2.669 6.425 ( -1.826 1.829 -0.003) 2.585 6.497 ( 1.378 -1.662 0.129) 2.163 6.512 ( 1.609 -2.395 -0.127) 2.888 7.169 ( -0.355 0.042 -0.105) 0.372 7.175 ( -0.418 0.039 0.123) 0.437 7.475 ( -1.126 3.053 0.324) 3.270 7.522 ( -1.237 2.673 -0.457) 2.981 7.588 ( 0.895 -2.412 -0.118) 2.576 7.619 ( 1.430 -1.878 0.100) 2.363 ======================= Grid point 176 (70/125) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 2.905 1.731 -0.503) 3.419 1.122 ( 6.522 1.181 0.459) 6.644 1.220 ( 12.298 0.822 -2.307) 12.539 1.292 ( 9.196 -0.555 0.721) 9.241 1.493 ( -11.079 2.631 -0.222) 11.389 1.570 ( -5.575 -1.065 0.566) 5.704 1.584 ( -1.844 0.348 -2.001) 2.743 1.630 ( -1.400 1.009 0.150) 1.732 1.695 ( 0.188 0.309 -0.454) 0.580 1.718 ( -0.349 1.489 -1.172) 1.927 1.754 ( -4.638 0.715 1.434) 4.907 1.811 ( -0.960 1.908 1.876) 2.843 1.826 ( -1.890 -1.290 -0.090) 2.290 1.915 ( -4.084 -3.725 1.133) 5.643 1.979 ( -0.220 -0.401 -1.192) 1.277 1.997 ( -0.088 -0.531 -0.148) 0.559 2.037 ( 3.427 -0.509 -5.345) 6.369 2.163 ( 2.009 0.779 0.208) 2.164 2.218 ( 7.976 -0.885 2.821) 8.506 2.264 ( 2.148 -1.231 2.474) 3.500 2.361 ( -3.445 -2.366 -1.279) 4.371 2.419 ( -3.206 -4.503 0.609) 5.561 2.519 ( -10.014 2.051 -0.706) 10.246 2.563 ( -8.068 -2.037 -1.605) 8.475 2.807 ( 11.150 0.390 0.049) 11.157 2.811 ( 11.126 -0.016 -0.119) 11.127 3.009 ( -5.435 10.667 -0.298) 11.976 3.023 ( -5.444 11.292 0.246) 12.538 3.267 ( -6.102 -9.673 -0.265) 11.440 3.284 ( -5.597 -9.959 0.074) 11.424 4.542 ( 1.814 0.191 -0.048) 1.825 4.544 ( 1.562 0.252 0.049) 1.582 4.960 ( 5.334 0.441 0.017) 5.352 4.964 ( 5.261 0.076 -0.125) 5.263 5.218 ( -4.474 -0.025 -0.097) 4.475 5.223 ( -4.695 -0.002 0.127) 4.697 5.354 ( 1.355 1.656 -0.139) 2.144 5.363 ( 1.464 1.710 0.216) 2.261 5.737 ( 6.661 0.050 0.016) 6.661 5.739 ( 6.596 -0.068 -0.034) 6.597 5.987 ( -6.153 -0.779 -0.375) 6.213 5.995 ( -6.112 -0.764 -0.005) 6.160 6.289 ( 1.449 0.301 -0.405) 1.534 6.304 ( 1.519 0.348 0.277) 1.583 6.431 ( 2.196 -0.178 -0.046) 2.203 6.432 ( 2.283 -0.201 0.047) 2.293 6.492 ( -2.146 -0.062 -0.451) 2.193 6.506 ( -2.726 -0.052 0.200) 2.734 7.176 ( -0.358 0.066 -0.151) 0.394 7.182 ( -0.252 0.089 0.146) 0.305 7.474 ( 3.421 0.531 -0.969) 3.595 7.519 ( 2.912 0.390 0.954) 3.089 7.596 ( -2.344 -0.264 -0.368) 2.387 7.606 ( -2.075 -0.491 0.143) 2.137 ======================= Grid point 177 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 16.285 -0.000 -3.116) 16.580 0.983 ( 11.108 -0.000 -0.291) 11.112 0.988 ( 10.839 -0.000 -0.108) 10.840 1.060 ( 14.366 0.000 2.232) 14.538 1.587 ( -0.488 -0.000 -0.862) 0.990 1.629 ( -1.696 0.000 1.516) 2.275 1.630 ( -1.098 0.000 0.502) 1.207 1.664 ( 4.302 0.000 1.164) 4.457 1.725 ( -3.375 -0.000 -2.719) 4.334 1.745 ( 3.456 -0.000 -2.608) 4.329 1.857 ( 18.519 -0.000 -0.861) 18.539 1.863 ( -14.555 -0.000 -1.808) 14.666 1.866 ( -1.620 -0.000 -0.686) 1.759 1.913 ( 0.742 0.000 1.615) 1.777 1.962 ( -10.523 0.000 1.355) 10.610 1.987 ( -4.343 0.000 2.741) 5.136 2.043 ( -4.875 -0.000 -4.100) 6.370 2.064 ( -4.017 -0.000 -2.335) 4.646 2.247 ( -2.454 0.000 2.344) 3.393 2.260 ( -1.127 0.000 3.479) 3.657 2.418 ( -4.742 -0.000 -2.003) 5.148 2.461 ( -3.983 -0.000 -0.218) 3.989 2.636 ( 8.321 -0.000 0.056) 8.321 2.638 ( 8.148 -0.000 0.096) 8.148 2.739 ( -13.260 -0.000 -0.472) 13.268 2.743 ( -12.493 -0.000 -0.396) 12.499 3.162 ( -4.252 -0.000 -0.277) 4.261 3.178 ( -3.851 0.000 0.290) 3.862 3.315 ( -6.357 -0.000 -0.229) 6.361 3.323 ( -5.954 0.000 0.033) 5.954 4.504 ( 2.277 -0.000 -0.142) 2.282 4.511 ( 2.141 0.000 0.093) 2.144 4.847 ( 7.237 -0.000 -0.145) 7.238 4.851 ( 6.957 -0.000 0.027) 6.957 5.271 ( 0.047 -0.000 -0.119) 0.128 5.277 ( 0.472 0.000 0.097) 0.482 5.354 ( -1.736 0.000 0.080) 1.738 5.355 ( -0.745 0.000 0.125) 0.755 5.588 ( 9.183 -0.000 -0.102) 9.183 5.591 ( 9.087 -0.000 0.015) 9.087 6.111 ( -7.458 -0.000 -0.359) 7.466 6.118 ( -7.268 0.000 -0.126) 7.269 6.255 ( 2.252 -0.000 -0.360) 2.281 6.271 ( 2.373 0.000 0.220) 2.383 6.383 ( 2.777 -0.000 -0.015) 2.777 6.384 ( 2.745 -0.000 0.035) 2.745 6.530 ( -2.320 -0.000 -0.766) 2.443 6.564 ( -3.436 0.000 0.415) 3.461 7.182 ( -0.350 -0.000 -0.082) 0.360 7.186 ( -0.062 0.000 0.060) 0.086 7.398 ( 4.489 -0.000 -1.110) 4.624 7.458 ( 4.360 0.000 1.025) 4.479 7.638 ( -2.536 -0.000 -0.223) 2.546 7.648 ( -2.321 0.000 0.130) 2.324 ======================= Grid point 182 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 0.000 14.846 3.518) 15.257 0.573 ( 0.000 10.750 1.867) 10.911 0.752 ( -0.000 -1.671 -2.629) 3.115 0.824 ( 0.000 8.654 -1.829) 8.845 1.104 ( 0.000 25.859 0.945) 25.876 1.127 ( 0.000 19.761 0.485) 19.767 1.625 ( -0.000 -1.593 1.148) 1.964 1.652 ( -0.000 -2.929 1.150) 3.147 1.736 ( 0.000 -0.119 0.356) 0.376 1.753 ( -0.000 -0.130 -1.455) 1.460 1.841 ( -0.000 -1.944 0.963) 2.169 1.902 ( -0.000 -0.862 -2.529) 2.672 2.010 ( -0.000 -3.166 -1.027) 3.329 2.038 ( -0.000 -3.979 -5.424) 6.727 2.083 ( -0.000 -2.660 1.880) 3.258 2.143 ( 0.000 -4.389 5.251) 6.844 2.258 ( 0.000 -0.847 0.809) 1.171 2.279 ( -0.000 -2.159 -1.743) 2.775 2.394 ( -0.000 -11.224 0.864) 11.257 2.410 ( -0.000 -10.574 0.572) 10.590 2.451 ( 0.000 3.664 -0.002) 3.664 2.454 ( 0.000 3.365 0.031) 3.365 2.573 ( -0.000 -1.889 -0.721) 2.022 2.597 ( -0.000 -3.359 -0.950) 3.491 3.175 ( -0.000 -7.050 0.024) 7.050 3.179 ( -0.000 -7.042 -0.040) 7.042 3.187 ( -0.000 -8.797 0.018) 8.797 3.190 ( -0.000 -8.946 -0.041) 8.946 3.447 ( -0.000 -2.590 0.420) 2.624 3.495 ( -0.000 -3.713 -0.293) 3.724 4.458 ( 0.000 1.015 0.043) 1.016 4.465 ( 0.000 0.936 -0.076) 0.939 4.637 ( 0.000 8.588 0.194) 8.590 4.641 ( 0.000 8.850 0.220) 8.853 5.175 ( 0.000 3.286 0.135) 3.289 5.186 ( 0.000 2.987 -0.044) 2.987 5.316 ( 0.000 9.923 0.062) 9.923 5.327 ( 0.000 9.716 -0.113) 9.717 5.397 ( -0.000 -3.968 0.079) 3.969 5.397 ( -0.000 -3.373 0.076) 3.374 6.172 ( 0.000 0.521 0.199) 0.558 6.203 ( 0.000 0.358 -0.268) 0.447 6.239 ( 0.000 4.264 0.152) 4.267 6.258 ( 0.000 4.366 -0.132) 4.368 6.376 ( -0.000 -5.339 -0.046) 5.340 6.381 ( -0.000 -5.597 -0.145) 5.599 6.593 ( -0.000 -1.366 0.992) 1.688 6.680 ( -0.000 -3.402 -0.503) 3.439 7.143 ( 0.000 0.220 0.150) 0.266 7.163 ( -0.000 -0.075 -0.162) 0.178 7.290 ( 0.000 3.872 0.274) 3.882 7.338 ( 0.000 4.369 -0.524) 4.400 7.687 ( -0.000 -1.531 0.298) 1.559 7.722 ( -0.000 -1.054 -0.241) 1.081 ======================= Grid point 183 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -3.609 15.846 0.330) 16.255 0.682 ( -2.513 8.252 2.350) 8.940 0.760 ( 1.657 10.410 -1.005) 10.589 0.922 ( -1.951 8.787 -1.529) 9.130 1.381 ( -6.250 16.725 -0.159) 17.855 1.434 ( -8.003 19.919 -1.408) 21.512 1.611 ( 0.646 -0.098 2.158) 2.255 1.636 ( 0.200 0.053 3.145) 3.152 1.722 ( 1.555 -1.457 -0.906) 2.316 1.733 ( 0.746 0.147 0.073) 0.764 1.808 ( 0.909 -2.629 0.512) 2.829 1.902 ( -1.320 -3.541 -1.068) 3.927 1.929 ( 2.149 -2.002 -4.509) 5.381 2.012 ( -1.813 -4.096 -2.479) 5.119 2.047 ( 2.161 -2.991 2.622) 4.527 2.093 ( 2.765 -4.501 3.405) 6.285 2.188 ( 4.252 -7.854 -1.826) 9.116 2.221 ( 2.908 -6.508 0.287) 7.134 2.278 ( 1.717 -6.421 1.357) 6.783 2.290 ( 0.960 -5.428 1.885) 5.826 2.509 ( -1.544 4.242 0.072) 4.515 2.517 ( -2.089 3.930 -0.286) 4.460 2.543 ( 0.475 -1.300 -1.497) 2.039 2.564 ( -0.274 -3.104 -0.561) 3.166 2.968 ( 7.051 -11.475 -0.211) 13.470 2.975 ( 6.648 -11.195 0.150) 13.021 3.190 ( -3.764 -6.824 0.030) 7.793 3.195 ( -4.396 -7.018 -0.072) 8.281 3.391 ( 4.008 -2.058 0.189) 4.510 3.434 ( 2.958 -3.239 -0.064) 4.387 4.487 ( -1.857 1.049 -0.018) 2.133 4.495 ( -1.971 0.985 0.013) 2.204 4.738 ( -1.555 8.551 0.217) 8.694 4.744 ( -1.497 8.895 0.133) 9.022 5.224 ( -1.570 3.071 0.142) 3.452 5.233 ( -1.740 2.720 -0.080) 3.230 5.336 ( 1.946 -3.207 0.163) 3.755 5.345 ( 1.691 -2.895 -0.055) 3.353 5.447 ( -2.883 9.202 0.089) 9.643 5.452 ( -2.642 9.141 -0.014) 9.516 6.178 ( -0.363 -1.909 0.166) 1.950 6.201 ( 0.065 -2.264 -0.247) 2.278 6.287 ( -0.063 2.806 0.201) 2.814 6.302 ( 0.342 1.960 -0.124) 1.993 6.317 ( 0.211 -2.316 -0.094) 2.328 6.323 ( -0.126 -1.395 0.009) 1.401 6.575 ( 0.767 -1.628 0.815) 1.976 6.631 ( 1.242 -3.379 -0.596) 3.649 7.152 ( -0.642 0.090 0.118) 0.659 7.163 ( -0.123 -0.113 -0.113) 0.202 7.343 ( -1.282 3.982 0.512) 4.214 7.391 ( -1.295 4.142 -0.655) 4.389 7.668 ( 0.538 -1.761 0.390) 1.882 7.701 ( 0.846 -1.386 -0.330) 1.657 ======================= Grid point 184 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -6.340 14.844 -2.242) 16.296 0.880 ( -3.116 10.246 -0.813) 10.740 0.921 ( -8.958 13.454 3.501) 16.538 1.048 ( -2.988 7.875 -0.375) 8.431 1.558 ( -0.483 0.379 -1.517) 1.637 1.588 ( -1.881 2.215 0.437) 2.939 1.624 ( 2.000 -1.261 -0.635) 2.448 1.678 ( -0.419 1.242 -0.889) 1.584 1.729 ( -0.337 2.755 0.319) 2.794 1.758 ( -0.340 -0.461 2.225) 2.298 1.824 ( 1.060 -2.163 1.192) 2.688 1.866 ( -6.327 12.978 0.172) 14.440 1.898 ( -0.496 -2.475 -1.681) 3.033 1.926 ( 5.371 -9.458 -1.192) 10.941 1.979 ( 2.332 -5.460 0.561) 5.964 1.998 ( 1.286 -3.921 0.346) 4.141 2.040 ( 3.746 -1.707 1.249) 4.302 2.091 ( 2.385 -5.392 1.135) 6.004 2.212 ( 1.520 -2.618 -0.086) 3.029 2.272 ( -0.133 -0.816 1.166) 1.430 2.474 ( 1.332 -3.786 -2.004) 4.486 2.510 ( 0.969 -3.800 -0.137) 3.924 2.624 ( -3.606 6.266 0.025) 7.230 2.636 ( -3.462 6.679 -0.363) 7.532 2.729 ( 6.231 -10.733 -0.118) 12.412 2.748 ( 6.088 -10.518 0.011) 12.153 3.154 ( 3.616 -2.647 0.244) 4.488 3.169 ( 3.558 -2.293 -0.239) 4.240 3.295 ( 0.091 -6.834 -0.105) 6.835 3.343 ( 0.461 -7.021 0.074) 7.036 4.530 ( -1.529 1.101 -0.109) 1.887 4.539 ( -1.460 1.051 0.132) 1.804 4.863 ( -3.252 7.469 0.169) 8.148 4.870 ( -3.052 7.736 0.009) 8.316 5.243 ( 1.558 -3.540 0.182) 3.872 5.254 ( 1.350 -3.457 -0.149) 3.714 5.303 ( -0.840 2.508 0.084) 2.647 5.312 ( -0.681 2.375 -0.068) 2.472 5.598 ( -4.044 8.064 0.027) 9.021 5.600 ( -4.027 8.180 0.045) 9.117 6.113 ( 2.743 -6.195 -0.111) 6.776 6.123 ( 3.075 -6.343 0.118) 7.050 6.287 ( -0.044 1.016 0.019) 1.017 6.299 ( -0.320 1.049 -0.025) 1.097 6.362 ( -2.093 2.612 0.127) 3.350 6.369 ( -1.773 2.637 -0.115) 3.180 6.541 ( 1.367 -1.792 0.512) 2.311 6.570 ( 1.801 -2.932 -0.441) 3.469 7.163 ( -0.408 -0.063 -0.080) 0.420 7.167 ( -0.461 0.013 0.108) 0.473 7.413 ( -1.883 3.625 0.679) 4.141 7.456 ( -2.025 3.406 -0.747) 4.033 7.634 ( 1.302 -2.046 0.142) 2.430 7.664 ( 1.414 -1.707 -0.156) 2.222 ======================= Grid point 185 (75/125) ======================= q-point: ( 0.67 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -4.401 6.093 -0.964) 7.578 1.086 ( -10.385 13.461 -1.791) 17.096 1.149 ( -0.730 4.791 0.777) 4.909 1.235 ( -9.030 10.588 2.208) 14.090 1.514 ( 5.007 -5.217 1.702) 7.429 1.555 ( 0.127 -1.110 -2.047) 2.332 1.587 ( 2.780 -4.247 -0.422) 5.094 1.634 ( 1.902 -1.639 -0.103) 2.513 1.697 ( 1.773 0.951 -1.443) 2.476 1.719 ( 2.885 -1.688 -0.923) 3.468 1.775 ( 0.156 -0.255 -2.230) 2.250 1.836 ( 4.899 -2.525 1.765) 5.787 1.857 ( 1.391 -3.850 1.994) 4.553 1.916 ( -0.986 -4.563 0.527) 4.698 1.931 ( -3.092 -0.230 -1.496) 3.443 2.008 ( 0.521 -1.148 -0.599) 1.396 2.064 ( -1.262 2.486 4.096) 4.955 2.131 ( -1.003 2.603 0.473) 2.829 2.207 ( -5.203 6.060 -2.165) 8.275 2.283 ( -1.284 0.093 0.940) 1.594 2.404 ( 0.957 -4.635 -1.207) 4.884 2.456 ( 0.145 -4.205 -0.209) 4.213 2.507 ( 6.021 -8.854 0.733) 10.733 2.545 ( 2.632 -7.979 -1.373) 8.513 2.805 ( -5.113 9.949 -0.119) 11.186 2.810 ( -5.568 10.424 -0.049) 11.818 3.004 ( 11.080 0.320 0.096) 11.085 3.014 ( 11.642 0.601 -0.083) 11.658 3.266 ( -5.514 -10.216 -0.203) 11.611 3.297 ( -4.709 -10.435 0.019) 11.449 4.553 ( 0.081 0.858 -0.043) 0.863 4.558 ( 0.425 0.751 0.065) 0.866 4.980 ( -1.245 5.094 -0.015) 5.244 4.983 ( -0.876 5.292 0.046) 5.364 5.181 ( -0.379 -3.674 0.100) 3.694 5.188 ( -0.045 -3.883 -0.145) 3.886 5.344 ( -0.063 2.724 -0.085) 2.726 5.353 ( -0.077 2.870 0.116) 2.873 5.737 ( -2.923 5.865 -0.085) 6.554 5.741 ( -2.788 6.117 0.045) 6.723 5.993 ( 2.519 -6.177 -0.161) 6.673 6.001 ( 2.588 -6.151 0.123) 6.675 6.297 ( 0.371 0.928 -0.225) 1.024 6.314 ( 0.319 1.094 0.156) 1.151 6.421 ( -1.814 1.786 -0.080) 2.547 6.425 ( -1.903 1.880 -0.010) 2.675 6.498 ( 1.454 -1.795 0.176) 2.317 6.511 ( 1.558 -2.291 -0.174) 2.776 7.168 ( -0.354 -0.005 -0.088) 0.365 7.176 ( -0.411 0.082 0.108) 0.433 7.478 ( -0.859 2.952 0.454) 3.108 7.517 ( -1.420 2.733 -0.605) 3.139 7.587 ( 0.924 -2.312 -0.122) 2.493 7.620 ( 1.354 -1.957 0.101) 2.382 ======================= Grid point 186 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 2.498 1.738 -0.335) 3.062 1.126 ( 7.207 1.206 0.273) 7.312 1.203 ( 12.521 0.582 -1.697) 12.649 1.296 ( 8.877 -0.594 0.322) 8.903 1.491 ( -11.657 1.675 -0.191) 11.778 1.568 ( -1.499 0.417 -1.701) 2.305 1.576 ( -6.383 0.026 0.831) 6.437 1.630 ( -0.965 1.030 -0.282) 1.439 1.693 ( 0.311 0.408 -0.133) 0.530 1.709 ( 1.341 0.534 -0.892) 1.697 1.766 ( -5.948 1.026 1.286) 6.171 1.805 ( -3.012 1.981 -1.392) 3.864 1.850 ( 0.513 -0.974 4.193) 4.335 1.924 ( -4.729 -3.697 0.900) 6.069 1.965 ( -2.455 0.010 -2.777) 3.707 1.995 ( 1.942 -0.547 -0.990) 2.248 1.998 ( 4.398 -1.365 -2.878) 5.430 2.163 ( 6.215 -0.539 -0.100) 6.239 2.241 ( 5.120 -0.103 2.526) 5.710 2.283 ( 1.240 0.346 1.947) 2.334 2.350 ( -3.202 -2.793 -1.171) 4.407 2.423 ( -2.621 -4.478 0.266) 5.196 2.515 ( -10.263 1.195 -0.200) 10.334 2.548 ( -8.886 -1.682 -1.848) 9.230 2.807 ( 11.182 0.322 0.077) 11.187 2.810 ( 11.101 0.043 -0.135) 11.101 3.007 ( -5.441 10.575 -0.201) 11.895 3.025 ( -5.470 11.382 0.156) 12.629 3.265 ( -6.102 -9.686 -0.205) 11.450 3.284 ( -5.620 -9.987 0.039) 11.460 4.542 ( 1.869 0.177 -0.031) 1.877 4.544 ( 1.521 0.261 0.032) 1.543 4.960 ( 5.329 0.370 0.048) 5.342 4.963 ( 5.274 0.128 -0.143) 5.277 5.218 ( -4.435 -0.019 -0.062) 4.435 5.224 ( -4.731 0.011 0.087) 4.732 5.354 ( 1.318 1.623 -0.085) 2.093 5.364 ( 1.472 1.752 0.153) 2.293 5.738 ( 6.634 0.022 0.025) 6.634 5.739 ( 6.640 -0.040 -0.041) 6.640 5.984 ( -6.114 -0.808 -0.288) 6.174 5.994 ( -6.060 -0.787 -0.047) 6.111 6.286 ( 1.447 0.244 -0.285) 1.495 6.306 ( 1.530 0.390 0.172) 1.589 6.430 ( 2.165 -0.171 -0.033) 2.172 6.433 ( 2.293 -0.198 0.034) 2.302 6.488 ( -1.984 -0.123 -0.328) 2.015 6.507 ( -2.824 -0.027 0.107) 2.827 7.174 ( -0.367 0.048 -0.101) 0.384 7.183 ( -0.233 0.105 0.097) 0.273 7.467 ( 3.666 0.355 -0.668) 3.743 7.526 ( 2.751 0.617 0.671) 2.899 7.593 ( -2.372 -0.278 -0.297) 2.407 7.606 ( -2.134 -0.549 0.082) 2.205 ======================= Grid point 187 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 16.386 -0.000 -1.764) 16.480 0.981 ( 11.307 -0.000 -0.191) 11.308 0.987 ( 10.742 -0.000 -0.072) 10.742 1.074 ( 13.711 0.000 1.175) 13.761 1.581 ( -0.754 -0.000 -0.452) 0.879 1.635 ( -1.288 0.000 0.512) 1.386 1.643 ( -2.022 0.000 1.745) 2.671 1.669 ( 2.241 0.000 0.127) 2.245 1.706 ( -3.149 -0.000 -1.819) 3.637 1.725 ( 8.197 -0.000 -1.980) 8.433 1.848 ( 0.193 -0.000 -1.101) 1.118 1.854 ( 4.931 -0.000 -0.470) 4.954 1.862 ( -2.339 -0.000 -0.312) 2.360 1.928 ( -1.256 0.000 1.877) 2.258 1.970 ( -9.344 0.000 0.498) 9.358 2.007 ( -4.107 0.000 2.265) 4.690 2.012 ( -5.640 -0.000 -3.101) 6.437 2.046 ( -5.159 -0.000 -1.984) 5.527 2.263 ( -2.269 0.000 1.373) 2.652 2.285 ( -0.844 0.000 2.377) 2.522 2.403 ( -4.853 -0.000 -1.556) 5.097 2.459 ( -3.828 -0.000 -0.290) 3.839 2.637 ( 8.421 -0.000 0.043) 8.421 2.638 ( 8.113 -0.000 0.060) 8.113 2.736 ( -13.569 0.000 -0.288) 13.572 2.740 ( -12.727 0.000 -0.276) 12.730 3.160 ( -4.297 -0.000 -0.145) 4.299 3.180 ( -3.806 0.000 0.154) 3.809 3.314 ( -6.409 0.000 -0.132) 6.411 3.323 ( -5.927 0.000 0.005) 5.927 4.503 ( 2.305 -0.000 -0.079) 2.306 4.512 ( 2.139 -0.000 0.047) 2.139 4.846 ( 7.276 -0.000 -0.086) 7.277 4.852 ( 6.924 -0.000 0.009) 6.924 5.270 ( 0.007 -0.000 -0.065) 0.065 5.277 ( 0.520 0.000 0.050) 0.523 5.354 ( -1.862 0.000 0.056) 1.863 5.356 ( -0.653 0.000 0.078) 0.658 5.587 ( 9.205 -0.000 -0.060) 9.205 5.591 ( 9.088 -0.000 0.003) 9.088 6.109 ( -7.486 -0.000 -0.221) 7.490 6.117 ( -7.258 0.000 -0.095) 7.259 6.252 ( 2.236 -0.000 -0.201) 2.245 6.272 ( 2.383 0.000 0.110) 2.386 6.382 ( 2.775 -0.000 -0.007) 2.775 6.384 ( 2.737 -0.000 0.020) 2.738 6.525 ( -2.177 -0.000 -0.430) 2.219 6.566 ( -3.550 0.000 0.201) 3.555 7.181 ( -0.380 -0.000 -0.045) 0.383 7.186 ( -0.027 0.000 0.031) 0.041 7.391 ( 4.489 -0.000 -0.597) 4.529 7.465 ( 4.333 0.000 0.542) 4.366 7.636 ( -2.581 -0.000 -0.125) 2.584 7.649 ( -2.312 0.000 0.064) 2.312 ======================= Grid point 188 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 16.406 -0.000 0.000) 16.406 0.980 ( 11.374 -0.000 0.000) 11.374 0.987 ( 10.718 -0.000 0.000) 10.718 1.079 ( 13.467 -0.000 0.000) 13.467 1.579 ( -0.845 0.000 -0.000) 0.845 1.637 ( -1.391 0.000 -0.000) 1.391 1.653 ( -1.902 0.000 -0.000) 1.902 1.667 ( -0.668 0.000 -0.000) 0.668 1.698 ( -2.983 0.000 -0.000) 2.983 1.716 ( 11.863 -0.000 0.000) 11.863 1.843 ( -3.484 0.000 -0.000) 3.484 1.853 ( 9.011 -0.000 0.000) 9.011 1.861 ( -2.552 0.000 -0.000) 2.552 1.938 ( -2.355 0.000 -0.000) 2.355 1.971 ( -7.554 0.000 -0.000) 7.554 1.998 ( -6.970 0.000 -0.000) 6.970 2.021 ( -2.440 0.000 -0.000) 2.440 2.034 ( -7.178 0.000 -0.000) 7.178 2.269 ( -2.197 0.000 -0.000) 2.197 2.296 ( -0.662 0.000 -0.000) 0.662 2.396 ( -4.974 0.000 -0.000) 4.974 2.458 ( -3.776 0.000 -0.000) 3.776 2.637 ( 8.467 -0.000 0.000) 8.467 2.639 ( 8.097 -0.000 0.000) 8.097 2.735 ( -13.682 0.000 -0.000) 13.682 2.739 ( -12.832 0.000 -0.000) 12.832 3.159 ( -4.312 0.000 -0.000) 4.312 3.180 ( -3.790 0.000 -0.000) 3.790 3.313 ( -6.427 0.000 -0.000) 6.427 3.323 ( -5.919 0.000 -0.000) 5.919 4.503 ( 2.315 -0.000 0.000) 2.315 4.512 ( 2.138 -0.000 0.000) 2.138 4.845 ( 7.291 -0.000 0.000) 7.291 4.852 ( 6.912 -0.000 0.000) 6.912 5.269 ( -0.007 0.000 -0.000) 0.007 5.277 ( 0.537 -0.000 0.000) 0.537 5.355 ( -1.906 0.000 -0.000) 1.906 5.356 ( -0.623 0.000 -0.000) 0.623 5.587 ( 9.214 -0.000 0.000) 9.214 5.591 ( 9.089 -0.000 0.000) 9.089 6.108 ( -7.496 0.000 -0.000) 7.496 6.116 ( -7.256 0.000 -0.000) 7.256 6.251 ( 2.230 -0.000 0.000) 2.230 6.273 ( 2.386 -0.000 0.000) 2.386 6.382 ( 2.774 -0.000 0.000) 2.774 6.384 ( 2.735 -0.000 0.000) 2.735 6.524 ( -2.126 0.000 -0.000) 2.126 6.567 ( -3.589 0.000 -0.000) 3.589 7.181 ( -0.390 0.000 -0.000) 0.390 7.186 ( -0.015 0.000 -0.000) 0.015 7.388 ( 4.489 -0.000 0.000) 4.489 7.467 ( 4.323 -0.000 0.000) 4.323 7.636 ( -2.598 0.000 -0.000) 2.598 7.649 ( -2.309 0.000 -0.000) 2.309 ======================= Grid point 192 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 0.000 12.320 6.108) 13.751 0.595 ( 0.000 9.645 3.073) 10.122 0.721 ( -0.000 0.717 -4.474) 4.531 0.802 ( 0.000 9.027 -3.334) 9.623 1.114 ( 0.000 24.630 1.417) 24.671 1.132 ( 0.000 19.230 0.641) 19.241 1.639 ( 0.000 -1.134 2.030) 2.325 1.666 ( -0.000 -2.585 2.177) 3.380 1.738 ( -0.000 -0.221 -2.147) 2.158 1.740 ( 0.000 -0.205 0.559) 0.596 1.850 ( -0.000 -1.529 0.856) 1.752 1.875 ( -0.000 -0.961 -3.583) 3.709 1.996 ( -0.000 -4.354 -4.410) 6.197 1.999 ( -0.000 -3.387 -1.611) 3.751 2.102 ( 0.000 -2.294 2.619) 3.482 2.180 ( -0.000 -3.874 3.296) 5.086 2.263 ( -0.000 -2.560 -1.655) 3.048 2.267 ( -0.000 -1.424 1.086) 1.790 2.403 ( -0.000 -10.109 1.314) 10.194 2.416 ( -0.000 -10.275 1.043) 10.328 2.451 ( 0.000 3.705 0.024) 3.706 2.454 ( 0.000 3.284 0.062) 3.284 2.565 ( -0.000 -2.061 -1.200) 2.385 2.586 ( -0.000 -3.339 -1.704) 3.749 3.175 ( -0.000 -7.047 0.052) 7.047 3.179 ( -0.000 -7.035 -0.077) 7.035 3.187 ( -0.000 -8.822 0.033) 8.822 3.189 ( -0.000 -8.957 -0.067) 8.958 3.452 ( -0.000 -2.695 0.774) 2.804 3.491 ( -0.000 -3.611 -0.577) 3.657 4.458 ( 0.000 1.016 0.087) 1.020 4.465 ( 0.000 0.952 -0.138) 0.962 4.639 ( 0.000 8.586 0.321) 8.592 4.643 ( 0.000 8.748 0.286) 8.753 5.177 ( 0.000 3.241 0.226) 3.249 5.185 ( 0.000 3.015 -0.093) 3.016 5.317 ( 0.000 9.900 0.123) 9.901 5.325 ( 0.000 9.735 -0.198) 9.737 5.398 ( -0.000 -3.883 0.121) 3.885 5.398 ( -0.000 -3.399 0.116) 3.400 6.175 ( 0.000 0.506 0.388) 0.638 6.200 ( -0.000 0.373 -0.495) 0.620 6.241 ( 0.000 4.286 0.282) 4.296 6.256 ( 0.000 4.370 -0.251) 4.377 6.375 ( -0.000 -5.303 -0.057) 5.304 6.380 ( -0.000 -5.505 -0.232) 5.510 6.604 ( 0.000 -1.849 1.679) 2.498 6.674 ( -0.000 -3.350 -0.973) 3.488 7.145 ( 0.000 0.195 0.284) 0.344 7.161 ( -0.000 -0.045 -0.301) 0.304 7.293 ( 0.000 3.981 0.535) 4.016 7.332 ( 0.000 4.446 -0.904) 4.537 7.691 ( -0.000 -1.481 0.549) 1.580 7.719 ( -0.000 -1.093 -0.462) 1.187 ======================= Grid point 193 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -1.395 14.280 0.849) 14.373 0.700 ( -3.273 8.799 1.439) 9.497 0.754 ( 1.169 11.194 0.066) 11.255 0.906 ( -2.440 9.287 -2.166) 9.843 1.380 ( -6.230 15.709 0.128) 16.900 1.420 ( -7.120 17.438 -1.749) 18.917 1.633 ( 0.798 0.971 3.042) 3.292 1.666 ( -0.035 1.395 3.799) 4.047 1.713 ( 1.153 -0.642 -1.130) 1.737 1.735 ( 0.664 -0.135 0.476) 0.828 1.808 ( 0.908 -1.653 -0.840) 2.064 1.888 ( -1.728 -1.874 -3.248) 4.129 1.900 ( 1.825 -3.771 -1.191) 4.355 1.990 ( -2.168 -4.535 -2.570) 5.646 2.067 ( 2.299 -3.446 2.247) 4.713 2.119 ( 3.605 -3.534 2.451) 5.612 2.175 ( 3.629 -8.494 -0.949) 9.286 2.219 ( 2.355 -7.206 -0.820) 7.625 2.293 ( 2.629 -5.952 2.103) 6.838 2.307 ( 1.452 -4.295 2.074) 4.986 2.510 ( -1.123 2.925 -0.085) 3.134 2.514 ( -1.968 3.678 -0.378) 4.188 2.529 ( -0.073 0.129 -1.542) 1.549 2.558 ( -0.562 -3.203 -0.907) 3.376 2.966 ( 7.077 -11.675 -0.160) 13.653 2.976 ( 6.608 -11.085 0.096) 12.905 3.191 ( -3.891 -6.879 0.043) 7.903 3.194 ( -4.292 -6.984 -0.090) 8.198 3.393 ( 4.226 -2.178 0.235) 4.760 3.433 ( 2.796 -3.114 -0.092) 4.186 4.487 ( -1.802 1.020 -0.020) 2.071 4.495 ( -2.046 1.017 0.014) 2.285 4.741 ( -1.507 8.562 0.276) 8.698 4.746 ( -1.481 8.794 0.116) 8.918 5.226 ( -1.573 3.035 0.202) 3.424 5.232 ( -1.698 2.779 -0.132) 3.259 5.338 ( 1.941 -3.133 0.226) 3.692 5.344 ( 1.759 -2.900 -0.104) 3.393 5.448 ( -2.870 9.190 0.118) 9.628 5.451 ( -2.681 9.122 -0.031) 9.508 6.179 ( -0.234 -2.006 0.243) 2.034 6.198 ( -0.087 -2.155 -0.335) 2.183 6.289 ( 0.010 2.663 0.280) 2.677 6.301 ( 0.247 2.207 -0.191) 2.229 6.316 ( 0.197 -2.222 -0.099) 2.233 6.323 ( -0.109 -1.482 0.003) 1.486 6.583 ( 0.860 -1.958 1.178) 2.441 6.625 ( 1.191 -3.222 -0.935) 3.560 7.154 ( -0.565 0.060 0.174) 0.594 7.162 ( -0.215 -0.081 -0.168) 0.285 7.349 ( -1.283 4.046 0.803) 4.320 7.384 ( -1.305 4.180 -0.964) 4.484 7.672 ( 0.659 -1.722 0.561) 1.928 7.698 ( 0.749 -1.427 -0.493) 1.685 ======================= Grid point 194 (81/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -5.929 15.570 -1.371) 16.717 0.873 ( -3.415 9.608 -0.685) 10.220 0.947 ( -8.681 13.087 2.710) 15.937 1.044 ( -3.309 8.475 -0.562) 9.115 1.545 ( -1.050 1.108 -1.614) 2.222 1.590 ( -3.181 3.344 0.097) 4.616 1.626 ( 2.854 -2.320 0.993) 3.810 1.670 ( 0.723 0.667 -1.132) 1.499 1.726 ( 0.489 -0.689 -0.413) 0.940 1.780 ( 0.552 0.996 2.297) 2.563 1.831 ( 0.040 0.343 0.686) 0.768 1.871 ( -6.525 10.228 1.013) 12.175 1.885 ( 0.249 -2.024 -1.639) 2.617 1.918 ( 4.809 -10.340 -0.590) 11.419 1.966 ( -0.234 -3.712 -2.301) 4.373 2.016 ( 3.657 -4.050 2.582) 6.037 2.051 ( 3.012 -0.989 1.196) 3.389 2.097 ( 1.778 -5.088 0.154) 5.392 2.212 ( 2.961 -2.214 0.247) 3.705 2.282 ( 0.309 -0.878 1.071) 1.419 2.458 ( 1.096 -4.266 -1.731) 4.733 2.507 ( 0.907 -3.863 -0.377) 3.986 2.625 ( -3.612 6.305 0.142) 7.268 2.633 ( -3.531 6.621 -0.431) 7.516 2.728 ( 5.819 -10.611 -0.087) 12.102 2.748 ( 6.405 -10.716 0.004) 12.484 3.157 ( 3.643 -2.575 0.323) 4.473 3.166 ( 3.466 -2.420 -0.318) 4.239 3.294 ( 0.103 -6.884 -0.085) 6.885 3.343 ( 0.561 -6.951 0.058) 6.974 4.529 ( -1.541 1.078 -0.078) 1.882 4.540 ( -1.458 1.066 0.098) 1.809 4.865 ( -3.179 7.503 0.173) 8.151 4.870 ( -3.068 7.663 -0.017) 8.254 5.245 ( 1.568 -3.482 0.222) 3.826 5.253 ( 1.409 -3.504 -0.193) 3.781 5.304 ( -0.771 2.391 0.085) 2.514 5.311 ( -0.735 2.521 -0.071) 2.627 5.598 ( -4.013 8.001 0.024) 8.951 5.600 ( -4.030 8.229 0.040) 9.163 6.112 ( 2.780 -6.220 -0.082) 6.814 6.124 ( 3.014 -6.304 0.088) 6.988 6.287 ( -0.004 0.870 0.017) 0.870 6.299 ( -0.353 1.172 -0.022) 1.224 6.363 ( -2.022 2.650 0.164) 3.338 6.368 ( -1.795 2.629 -0.153) 3.187 6.546 ( 1.462 -2.036 0.645) 2.588 6.565 ( 1.716 -2.743 -0.583) 3.287 7.162 ( -0.389 -0.078 -0.049) 0.400 7.167 ( -0.484 0.026 0.074) 0.490 7.420 ( -1.843 3.605 0.896) 4.147 7.449 ( -2.054 3.473 -0.957) 4.147 7.635 ( 1.525 -2.039 0.138) 2.550 7.663 ( 1.218 -1.740 -0.150) 2.129 ======================= Grid point 195 (82/125) ======================= q-point: ( 0.78 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -4.599 5.746 -0.573) 7.382 1.074 ( -10.387 13.451 -0.944) 17.020 1.154 ( -0.579 5.151 0.449) 5.203 1.250 ( -8.818 10.503 1.215) 13.768 1.526 ( 3.117 -4.629 0.638) 5.617 1.546 ( 1.442 -1.339 0.257) 1.985 1.579 ( 5.650 -5.620 -1.424) 8.096 1.633 ( 1.178 -0.654 0.001) 1.348 1.690 ( 1.400 0.446 -0.135) 1.476 1.709 ( 1.295 -1.590 -1.380) 2.472 1.759 ( 0.453 0.531 -1.247) 1.429 1.848 ( 6.051 -3.428 1.117) 7.044 1.873 ( -0.717 -3.507 1.793) 4.003 1.916 ( -1.632 -3.583 -1.220) 4.122 1.922 ( -1.499 -2.063 0.048) 2.550 2.004 ( 0.389 -0.985 -0.473) 1.160 2.097 ( 1.192 1.324 3.543) 3.966 2.135 ( -0.737 3.625 0.514) 3.734 2.187 ( -5.886 7.127 -2.607) 9.604 2.289 ( -1.583 0.123 0.592) 1.695 2.397 ( -0.145 -4.586 -0.458) 4.611 2.453 ( 0.174 -3.922 -0.432) 3.949 2.514 ( 5.201 -8.987 0.902) 10.422 2.533 ( 3.856 -8.572 -1.324) 9.492 2.805 ( -5.087 9.858 -0.065) 11.093 2.809 ( -5.667 10.511 -0.041) 11.942 3.005 ( 11.099 0.308 0.071) 11.104 3.014 ( 11.646 0.592 -0.063) 11.661 3.264 ( -5.481 -10.217 -0.125) 11.595 3.297 ( -4.738 -10.460 0.005) 11.483 4.553 ( 0.042 0.853 -0.024) 0.854 4.559 ( 0.463 0.749 0.038) 0.882 4.980 ( -1.164 5.067 -0.008) 5.200 4.983 ( -0.907 5.287 0.028) 5.365 5.182 ( -0.241 -3.679 0.102) 3.688 5.187 ( -0.181 -3.852 -0.131) 3.859 5.343 ( -0.053 2.683 -0.047) 2.684 5.354 ( -0.090 2.924 0.067) 2.926 5.736 ( -2.925 5.830 -0.048) 6.522 5.741 ( -2.761 6.138 0.021) 6.730 5.992 ( 2.544 -6.200 -0.087) 6.703 6.002 ( 2.625 -6.163 0.063) 6.699 6.296 ( 0.393 0.843 -0.131) 0.939 6.315 ( 0.315 1.161 0.086) 1.206 6.421 ( -1.732 1.749 -0.049) 2.462 6.425 ( -1.950 1.913 -0.009) 2.732 6.499 ( 1.547 -1.957 0.147) 2.499 6.509 ( 1.486 -2.156 -0.146) 2.622 7.168 ( -0.351 -0.034 -0.048) 0.356 7.176 ( -0.407 0.108 0.061) 0.425 7.482 ( -0.498 2.830 0.388) 2.900 7.513 ( -1.712 2.818 -0.487) 3.333 7.587 ( 0.949 -2.229 -0.074) 2.424 7.621 ( 1.290 -2.021 0.061) 2.398 ======================= Grid point 196 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 2.271 1.745 -0.116) 2.866 1.127 ( 7.694 1.224 0.082) 7.791 1.193 ( 12.573 0.451 -0.616) 12.596 1.298 ( 8.698 -0.648 0.080) 8.723 1.490 ( -12.259 1.169 -0.037) 12.315 1.557 ( -1.325 0.408 -0.728) 1.566 1.582 ( -6.753 0.702 0.464) 6.805 1.627 ( -0.449 0.863 -0.219) 0.997 1.692 ( -0.393 1.385 -0.062) 1.441 1.704 ( 2.967 -0.823 -0.299) 3.093 1.774 ( -6.784 1.101 0.577) 6.897 1.796 ( -3.006 2.244 -0.618) 3.801 1.888 ( 0.191 -0.759 4.798) 4.862 1.927 ( -3.378 -2.239 -2.041) 4.538 1.933 ( -2.299 -1.887 -2.520) 3.898 1.982 ( 6.134 -1.374 -0.647) 6.319 1.994 ( -0.684 -0.428 -0.144) 0.820 2.162 ( 8.204 -1.137 -0.050) 8.282 2.256 ( 4.130 -0.017 1.065) 4.265 2.294 ( 0.579 1.998 0.738) 2.207 2.343 ( -2.928 -3.507 -0.536) 4.600 2.424 ( -2.266 -4.379 0.021) 4.930 2.517 ( -9.840 0.024 0.421) 9.849 2.534 ( -10.009 -1.025 -1.216) 10.135 2.808 ( 11.257 0.263 0.082) 11.261 2.809 ( 11.029 0.097 -0.104) 11.030 3.006 ( -5.445 10.524 -0.070) 11.849 3.025 ( -5.486 11.432 0.052) 12.681 3.264 ( -6.105 -9.692 -0.075) 11.455 3.284 ( -5.633 -10.007 0.010) 11.483 4.541 ( 1.898 0.170 -0.011) 1.906 4.544 ( 1.500 0.265 0.011) 1.523 4.961 ( 5.331 0.293 0.089) 5.340 4.961 ( 5.277 0.192 -0.127) 5.282 5.217 ( -4.414 -0.015 -0.021) 4.414 5.224 ( -4.750 0.019 0.031) 4.750 5.353 ( 1.296 1.609 -0.028) 2.066 5.365 ( 1.475 1.773 0.055) 2.307 5.738 ( 6.550 -0.028 0.030) 6.550 5.738 ( 6.735 0.010 -0.037) 6.735 5.983 ( -6.088 -0.827 -0.108) 6.145 5.994 ( -6.027 -0.803 -0.024) 6.080 6.284 ( 1.447 0.216 -0.102) 1.467 6.307 ( 1.537 0.408 0.058) 1.592 6.430 ( 2.146 -0.166 -0.012) 2.153 6.433 ( 2.299 -0.197 0.013) 2.307 6.486 ( -1.896 -0.156 -0.120) 1.906 6.507 ( -2.871 -0.019 0.033) 2.871 7.174 ( -0.372 0.039 -0.035) 0.376 7.183 ( -0.223 0.112 0.034) 0.251 7.464 ( 3.788 0.275 -0.237) 3.806 7.530 ( 2.700 0.736 0.244) 2.809 7.591 ( -2.421 -0.296 -0.117) 2.442 7.607 ( -2.159 -0.584 0.026) 2.237 ======================= Grid point 202 (84/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 9.208 7.493) 11.871 0.616 ( 0.000 5.883 0.890) 5.950 0.686 ( 0.000 6.173 -2.848) 6.798 0.770 ( 0.000 9.546 -4.367) 10.498 1.126 ( -0.000 22.918 1.296) 22.955 1.137 ( -0.000 19.103 0.407) 19.108 1.658 ( -0.000 -0.588 2.470) 2.539 1.688 ( -0.000 -1.900 2.939) 3.500 1.719 ( -0.000 -0.136 -2.359) 2.362 1.744 ( -0.000 -0.140 -0.008) 0.140 1.847 ( -0.000 -1.519 -2.724) 3.119 1.852 ( 0.000 -1.471 -0.415) 1.528 1.968 ( -0.000 -4.444 -2.124) 4.925 1.985 ( 0.000 -3.462 -1.832) 3.917 2.125 ( -0.000 -2.010 2.820) 3.463 2.190 ( -0.000 -2.589 -0.984) 2.769 2.260 ( 0.000 -3.558 0.896) 3.669 2.274 ( -0.000 -2.316 0.671) 2.411 2.415 ( 0.000 -8.916 1.437) 9.031 2.425 ( 0.000 -9.598 0.983) 9.649 2.451 ( 0.000 3.596 0.157) 3.599 2.454 ( 0.000 3.068 0.074) 3.069 2.555 ( -0.000 -2.346 -1.087) 2.585 2.570 ( -0.000 -3.292 -1.984) 3.844 3.176 ( 0.000 -7.040 0.082) 7.040 3.178 ( 0.000 -7.028 -0.105) 7.028 3.187 ( -0.000 -8.860 0.045) 8.860 3.189 ( -0.000 -8.960 -0.073) 8.960 3.460 ( -0.000 -2.857 1.007) 3.029 3.485 ( -0.000 -3.455 -0.830) 3.554 4.459 ( 0.000 1.014 0.130) 1.022 4.463 ( -0.000 0.972 -0.174) 0.988 4.642 ( 0.000 8.583 0.336) 8.590 4.645 ( 0.000 8.657 0.173) 8.659 5.179 ( -0.000 3.190 0.258) 3.200 5.184 ( -0.000 3.054 -0.146) 3.058 5.318 ( 0.000 9.868 0.178) 9.870 5.323 ( 0.000 9.763 -0.241) 9.766 5.399 ( 0.000 -3.765 0.108) 3.767 5.399 ( -0.000 -3.449 0.100) 3.451 6.179 ( 0.000 0.483 0.551) 0.733 6.195 ( 0.000 0.396 -0.645) 0.757 6.244 ( -0.000 4.315 0.373) 4.332 6.253 ( -0.000 4.370 -0.345) 4.384 6.375 ( 0.000 -5.270 -0.014) 5.270 6.378 ( 0.000 -5.396 -0.235) 5.402 6.620 ( -0.000 -2.378 1.967) 3.086 6.664 ( -0.000 -3.250 -1.386) 3.534 7.148 ( -0.000 0.156 0.385) 0.415 7.158 ( -0.000 -0.001 -0.400) 0.400 7.299 ( 0.000 4.136 0.771) 4.207 7.324 ( 0.000 4.481 -1.082) 4.610 7.696 ( 0.000 -1.408 0.718) 1.581 7.715 ( 0.000 -1.155 -0.642) 1.321 ======================= Grid point 203 (85/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.628 12.739 0.859) 12.783 0.703 ( -3.337 10.595 -0.456) 11.117 0.763 ( 0.237 10.535 1.635) 10.663 0.888 ( -3.061 9.911 -1.903) 10.546 1.383 ( -6.262 15.160 0.594) 16.413 1.406 ( -6.471 15.498 -1.585) 16.869 1.658 ( 1.034 1.425 2.852) 3.351 1.694 ( 0.680 1.642 2.655) 3.195 1.703 ( 0.422 0.955 -1.267) 1.642 1.744 ( 0.412 -0.196 1.743) 1.802 1.793 ( 0.541 -0.591 -2.719) 2.835 1.861 ( -0.465 -2.339 -2.631) 3.551 1.900 ( -0.090 -3.758 0.661) 3.816 1.971 ( -2.074 -4.808 -1.932) 5.581 2.083 ( 2.818 -4.485 1.619) 5.539 2.129 ( 3.170 -2.132 -0.085) 3.821 2.177 ( 3.384 -9.040 1.430) 9.758 2.209 ( 2.402 -7.702 -1.581) 8.222 2.309 ( 3.124 -5.622 1.588) 6.625 2.322 ( 1.954 -3.334 1.407) 4.113 2.505 ( 0.049 -1.756 -0.831) 1.944 2.513 ( -2.030 4.930 0.143) 5.334 2.520 ( -1.297 3.420 -0.733) 3.731 2.551 ( -0.849 -3.395 -0.744) 3.577 2.965 ( 7.092 -11.810 -0.081) 13.776 2.976 ( 6.579 -11.026 0.042) 12.840 3.191 ( -4.066 -6.959 0.039) 8.060 3.194 ( -4.137 -6.923 -0.070) 8.065 3.395 ( 4.442 -2.300 0.167) 5.005 3.432 ( 2.631 -2.987 -0.074) 3.982 4.487 ( -1.757 0.996 -0.012) 2.020 4.495 ( -2.108 1.043 0.009) 2.352 4.743 ( -1.451 8.584 0.220) 8.708 4.746 ( -1.483 8.697 0.033) 8.822 5.227 ( -1.587 2.987 0.222) 3.390 5.231 ( -1.648 2.848 -0.176) 3.295 5.340 ( 1.913 -3.047 0.239) 3.606 5.343 ( 1.842 -2.925 -0.159) 3.460 5.449 ( -2.857 9.197 0.107) 9.631 5.451 ( -2.716 9.087 -0.050) 9.484 6.182 ( -0.047 -2.142 0.224) 2.155 6.195 ( -0.295 -2.007 -0.284) 2.049 6.291 ( 0.131 2.404 0.260) 2.421 6.299 ( 0.104 2.566 -0.202) 2.576 6.316 ( 0.194 -2.168 -0.062) 2.178 6.323 ( -0.098 -1.539 -0.001) 1.542 6.594 ( 0.971 -2.340 1.334) 2.863 6.616 ( 1.113 -2.986 -1.178) 3.398 7.155 ( -0.446 0.017 0.182) 0.482 7.160 ( -0.345 -0.036 -0.178) 0.390 7.356 ( -1.281 4.116 1.016) 4.429 7.375 ( -1.317 4.199 -1.120) 4.541 7.677 ( 0.854 -1.676 0.554) 1.961 7.694 ( 0.576 -1.475 -0.510) 1.664 ======================= Grid point 204 (86/125) ======================= q-point: ( 0.78 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -5.650 15.966 -0.452) 16.942 0.869 ( -3.608 9.217 -0.264) 9.902 0.963 ( -8.501 12.970 1.089) 15.546 1.040 ( -3.529 8.798 -0.329) 9.485 1.535 ( -1.159 1.294 -0.642) 1.852 1.591 ( -3.916 3.893 -0.016) 5.521 1.636 ( 3.114 -3.042 0.999) 4.467 1.660 ( 1.396 0.896 -0.963) 1.918 1.724 ( 0.682 -2.161 -0.014) 2.266 1.791 ( 2.534 -0.335 0.498) 2.604 1.838 ( -4.253 7.526 0.838) 8.685 1.873 ( 2.008 -3.727 -0.985) 4.347 1.879 ( -4.303 4.915 0.650) 6.564 1.916 ( 3.741 -10.193 -0.099) 10.858 1.950 ( -1.292 -2.024 -1.224) 2.695 2.032 ( 4.852 -4.047 1.040) 6.403 2.059 ( 2.017 -0.730 0.711) 2.260 2.095 ( 1.200 -4.561 -0.328) 4.728 2.215 ( 4.019 -2.043 0.197) 4.513 2.288 ( 0.654 -0.832 0.443) 1.148 2.448 ( 0.847 -4.647 -0.704) 4.776 2.505 ( 0.862 -3.925 -0.199) 4.024 2.627 ( -3.552 6.314 0.280) 7.250 2.630 ( -3.634 6.592 -0.392) 7.538 2.728 ( 5.584 -10.557 -0.030) 11.943 2.748 ( 6.579 -10.816 0.000) 12.659 3.159 ( 3.775 -2.431 0.288) 4.499 3.164 ( 3.292 -2.600 -0.286) 4.205 3.293 ( 0.111 -6.918 -0.032) 6.919 3.344 ( 0.625 -6.905 0.021) 6.933 4.529 ( -1.548 1.065 -0.028) 1.879 4.541 ( -1.457 1.073 0.036) 1.810 4.866 ( -3.113 7.542 0.083) 8.159 4.870 ( -3.097 7.599 -0.021) 8.206 5.247 ( 1.571 -3.395 0.145) 3.744 5.251 ( 1.451 -3.584 -0.133) 3.869 5.304 ( -0.711 2.284 0.038) 2.392 5.311 ( -0.783 2.647 -0.032) 2.761 5.598 ( -3.995 7.966 0.009) 8.911 5.600 ( -4.029 8.256 0.016) 9.187 6.111 ( 2.797 -6.233 -0.029) 6.832 6.125 ( 2.981 -6.283 0.032) 6.954 6.288 ( 0.024 0.771 0.007) 0.772 6.299 ( -0.376 1.256 -0.009) 1.311 6.364 ( -1.961 2.713 0.137) 3.351 6.367 ( -1.824 2.585 -0.132) 3.167 6.551 ( 1.586 -2.329 0.510) 2.863 6.561 ( 1.598 -2.484 -0.485) 2.993 7.162 ( -0.381 -0.087 -0.016) 0.391 7.168 ( -0.495 0.033 0.026) 0.497 7.427 ( -1.724 3.568 0.755) 4.034 7.441 ( -2.165 3.540 -0.779) 4.222 7.636 ( 1.695 -2.032 0.059) 2.647 7.662 ( 1.066 -1.764 -0.064) 2.062 ======================= Grid point 205 (87/125) ======================= q-point: ( 0.89 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -4.675 5.628 -0.000) 7.316 1.070 ( -10.377 13.457 -0.000) 16.993 1.156 ( -0.525 5.274 -0.000) 5.300 1.255 ( -8.733 10.451 -0.000) 13.619 1.527 ( 1.167 -3.375 0.000) 3.571 1.553 ( 1.285 -1.084 0.000) 1.681 1.569 ( 8.608 -7.380 0.000) 11.339 1.633 ( 0.961 -0.348 0.000) 1.022 1.692 ( 2.436 0.156 0.000) 2.441 1.700 ( -0.728 -1.447 0.000) 1.620 1.754 ( 0.826 0.725 -0.000) 1.099 1.853 ( 6.547 -3.840 0.000) 7.590 1.883 ( -2.241 -3.362 0.000) 4.041 1.908 ( -0.975 -2.552 0.000) 2.732 1.923 ( -1.252 -3.305 0.000) 3.534 2.002 ( 0.367 -0.884 0.000) 0.957 2.114 ( 5.616 -1.286 0.000) 5.761 2.139 ( -3.575 5.510 -0.000) 6.568 2.172 ( -6.646 8.124 -0.000) 10.496 2.292 ( -1.628 0.110 -0.000) 1.632 2.396 ( -0.692 -4.476 0.000) 4.529 2.451 ( 0.227 -3.847 0.000) 3.854 2.521 ( 3.108 -8.991 0.000) 9.513 2.525 ( 6.111 -8.863 0.000) 10.765 2.804 ( -5.076 9.823 -0.000) 11.057 2.809 ( -5.706 10.544 -0.000) 11.989 3.006 ( 11.107 0.303 0.000) 11.112 3.014 ( 11.646 0.589 0.000) 11.661 3.264 ( -5.470 -10.217 0.000) 11.589 3.297 ( -4.749 -10.469 0.000) 11.496 4.553 ( 0.029 0.851 -0.000) 0.851 4.559 ( 0.477 0.748 -0.000) 0.887 4.980 ( -1.137 5.057 -0.000) 5.183 4.983 ( -0.915 5.285 -0.000) 5.364 5.183 ( -0.135 -3.679 0.000) 3.682 5.186 ( -0.287 -3.842 0.000) 3.853 5.343 ( -0.049 2.669 -0.000) 2.669 5.354 ( -0.094 2.943 -0.000) 2.944 5.736 ( -2.925 5.817 -0.000) 6.511 5.741 ( -2.751 6.145 -0.000) 6.732 5.991 ( 2.555 -6.209 0.000) 6.714 6.002 ( 2.640 -6.168 0.000) 6.709 6.295 ( 0.401 0.814 -0.000) 0.907 6.315 ( 0.315 1.183 -0.000) 1.224 6.421 ( -1.703 1.736 -0.000) 2.432 6.425 ( -1.965 1.925 -0.000) 2.750 6.500 ( 1.601 -2.047 0.000) 2.599 6.508 ( 1.440 -2.076 0.000) 2.527 7.168 ( -0.350 -0.044 -0.000) 0.353 7.177 ( -0.406 0.116 -0.000) 0.422 7.483 ( -0.278 2.763 -0.000) 2.777 7.510 ( -1.906 2.871 -0.000) 3.446 7.586 ( 0.959 -2.197 0.000) 2.398 7.621 ( 1.266 -2.045 0.000) 2.405 ======================= Grid point 213 (88/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 6.059 7.738) 9.828 0.590 ( 0.000 3.315 -6.309) 7.126 0.694 ( 0.000 10.702 3.816) 11.362 0.731 ( 0.000 10.191 -4.793) 11.262 1.134 ( 0.000 21.134 0.766) 21.148 1.138 ( 0.000 19.748 -0.117) 19.748 1.678 ( -0.000 -0.211 2.522) 2.531 1.699 ( -0.000 -0.197 -2.397) 2.405 1.714 ( -0.000 -0.793 3.083) 3.184 1.736 ( 0.000 -0.141 -1.962) 1.967 1.835 ( -0.000 -2.172 -0.007) 2.172 1.843 ( -0.000 -1.973 -1.436) 2.440 1.961 ( -0.000 -4.013 0.349) 4.029 1.970 ( 0.000 -3.608 -1.559) 3.930 2.149 ( -0.000 -1.831 2.902) 3.431 2.173 ( 0.000 -1.891 -2.738) 3.327 2.270 ( 0.000 -3.812 1.202) 3.998 2.276 ( 0.000 -3.245 -0.228) 3.253 2.425 ( 0.000 -7.994 1.031) 8.060 2.430 ( 0.000 -8.298 -0.008) 8.298 2.453 ( 0.000 2.859 0.292) 2.874 2.455 ( 0.000 2.693 -0.044) 2.693 2.550 ( -0.000 -2.742 -0.021) 2.743 2.556 ( -0.000 -3.120 -1.400) 3.420 3.176 ( 0.000 -7.031 0.106) 7.032 3.177 ( 0.000 -7.026 -0.116) 7.027 3.188 ( 0.000 -8.904 0.055) 8.905 3.188 ( 0.000 -8.942 -0.066) 8.942 3.469 ( -0.000 -3.054 1.086) 3.242 3.477 ( -0.000 -3.262 -1.015) 3.417 4.460 ( 0.000 1.007 0.164) 1.020 4.462 ( 0.000 0.992 -0.182) 1.009 4.645 ( 0.000 8.586 0.229) 8.589 4.646 ( 0.000 8.606 -0.034) 8.606 5.181 ( -0.000 3.142 0.243) 3.151 5.183 ( -0.000 3.098 -0.199) 3.104 5.319 ( -0.000 9.832 0.222) 9.835 5.321 ( -0.000 9.796 -0.246) 9.799 5.399 ( -0.326 -3.601 0.042) 3.616 5.399 ( 0.326 -3.571 0.040) 3.586 6.184 ( 0.000 0.454 0.664) 0.804 6.190 ( 0.000 0.424 -0.701) 0.819 6.247 ( -0.000 4.343 0.414) 4.363 6.250 ( -0.000 4.362 -0.403) 4.381 6.375 ( 0.000 -5.266 0.072) 5.267 6.376 ( 0.000 -5.309 -0.170) 5.312 6.636 ( -0.000 -2.799 1.940) 3.406 6.651 ( -0.000 -3.080 -1.720) 3.527 7.151 ( -0.000 0.106 0.443) 0.455 7.155 ( -0.000 0.052 -0.449) 0.452 7.306 ( -0.000 4.301 0.963) 4.408 7.314 ( -0.000 4.430 -1.083) 4.560 7.703 ( 0.000 -1.322 0.788) 1.539 7.709 ( 0.000 -1.234 -0.758) 1.448 ======================= Grid point 214 (89/125) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 1.549 11.995 -0.000) 12.095 0.700 ( -3.492 11.610 -0.000) 12.124 0.771 ( 0.005 9.979 -0.000) 9.979 0.879 ( -3.440 10.278 -0.000) 10.838 1.388 ( -6.456 15.542 -0.000) 16.830 1.397 ( -6.065 14.241 -0.000) 15.479 1.673 ( 1.479 0.944 -0.000) 1.755 1.695 ( -0.268 2.271 -0.000) 2.287 1.705 ( 1.673 1.013 -0.000) 1.956 1.762 ( -1.651 2.956 -0.000) 3.386 1.770 ( 1.784 -2.674 0.000) 3.215 1.849 ( -0.622 -2.622 0.000) 2.695 1.904 ( -0.263 -3.675 0.000) 3.685 1.962 ( -1.982 -4.966 0.000) 5.347 2.091 ( 3.263 -5.341 0.000) 6.258 2.126 ( 2.577 -1.578 0.000) 3.022 2.191 ( 4.124 -9.460 0.000) 10.320 2.195 ( 1.766 -7.210 0.000) 7.423 2.316 ( 3.327 -5.520 0.000) 6.446 2.328 ( 2.161 -2.928 0.000) 3.639 2.501 ( 0.313 -2.944 0.000) 2.960 2.515 ( -1.722 4.439 -0.000) 4.761 2.516 ( -1.956 5.049 -0.000) 5.415 2.547 ( -0.975 -3.519 0.000) 3.652 2.965 ( 7.096 -11.859 0.000) 13.819 2.977 ( 6.569 -11.007 0.000) 12.818 3.191 ( -4.182 -7.013 0.000) 8.165 3.193 ( -4.029 -6.876 0.000) 7.970 3.395 ( 4.535 -2.355 0.000) 5.110 3.432 ( 2.558 -2.932 0.000) 3.891 4.486 ( -1.740 0.987 -0.000) 2.000 4.495 ( -2.132 1.053 -0.000) 2.378 4.744 ( -1.413 8.605 -0.000) 8.720 4.746 ( -1.501 8.647 -0.000) 8.777 5.229 ( -1.626 2.946 -0.000) 3.365 5.230 ( -1.596 2.898 -0.000) 3.308 5.341 ( 1.764 -2.964 0.000) 3.450 5.342 ( 2.012 -2.985 0.000) 3.600 5.450 ( -2.861 9.240 -0.000) 9.673 5.451 ( -2.721 9.032 -0.000) 9.433 6.183 ( 0.081 -2.235 0.000) 2.236 6.194 ( -0.432 -1.911 0.000) 1.959 6.292 ( 0.239 2.152 -0.000) 2.165 6.298 ( -0.015 2.860 -0.000) 2.860 6.315 ( 0.195 -2.153 0.000) 2.162 6.323 ( -0.095 -1.559 0.000) 1.561 6.603 ( 1.145 -2.706 0.000) 2.939 6.607 ( 0.952 -2.676 0.000) 2.840 7.156 ( -0.331 -0.023 -0.000) 0.332 7.159 ( -0.465 0.005 -0.000) 0.465 7.364 ( -1.177 4.142 -0.000) 4.306 7.367 ( -1.424 4.206 -0.000) 4.441 7.680 ( 1.050 -1.650 0.000) 1.956 7.691 ( 0.389 -1.502 0.000) 1.551 ======================= Grid point 220 (90/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 15.944 -0.000 3.845) 16.401 0.986 ( 10.768 -0.000 0.261) 10.771 0.989 ( 11.123 0.000 0.093) 11.123 1.038 ( 15.273 0.000 -3.089) 15.582 1.595 ( -0.218 0.000 1.054) 1.076 1.618 ( -1.366 -0.000 -1.105) 1.757 1.628 ( -0.683 0.000 -0.044) 0.684 1.652 ( 3.803 0.000 -1.535) 4.101 1.748 ( -3.315 0.000 2.599) 4.212 1.764 ( 0.467 -0.000 1.787) 1.847 1.864 ( 14.469 -0.000 0.873) 14.495 1.873 ( 0.246 -0.000 0.911) 0.944 1.880 ( -12.134 0.000 2.190) 12.330 1.902 ( 2.076 -0.000 -0.853) 2.244 1.949 ( -11.122 -0.000 -1.733) 11.256 1.963 ( -4.258 0.000 -2.910) 5.158 2.076 ( -4.296 0.000 3.766) 5.713 2.084 ( -3.190 -0.000 2.492) 4.048 2.226 ( -2.659 0.000 -2.631) 3.741 2.231 ( -1.451 -0.000 -3.440) 3.733 2.435 ( -4.696 -0.000 1.832) 5.041 2.461 ( -4.212 0.000 -0.217) 4.217 2.636 ( 8.236 0.000 -0.031) 8.237 2.637 ( 8.176 -0.000 -0.096) 8.177 2.743 ( -12.852 -0.000 0.471) 12.861 2.746 ( -12.300 -0.000 0.297) 12.303 3.164 ( -4.184 -0.000 0.378) 4.201 3.175 ( -3.922 -0.000 -0.390) 3.941 3.318 ( -6.276 -0.000 0.268) 6.282 3.323 ( -6.005 0.000 -0.093) 6.006 4.506 ( 2.240 0.000 0.181) 2.247 4.510 ( 2.151 -0.000 -0.138) 2.155 4.848 ( 7.182 0.000 0.162) 7.183 4.851 ( 7.004 0.000 -0.058) 7.004 5.272 ( 0.114 0.000 0.155) 0.192 5.276 ( 0.396 -0.000 -0.136) 0.418 5.353 ( -1.546 0.000 -0.057) 1.547 5.354 ( -0.895 -0.000 -0.124) 0.904 5.588 ( 9.153 -0.000 0.116) 9.154 5.591 ( 9.091 0.000 -0.041) 9.091 6.114 ( -7.415 -0.000 0.367) 7.425 6.119 ( -7.289 0.000 0.059) 7.290 6.258 ( 2.276 0.000 0.450) 2.320 6.269 ( 2.356 -0.000 -0.327) 2.379 6.383 ( 2.777 0.000 0.024) 2.777 6.384 ( 2.755 -0.000 -0.041) 2.756 6.538 ( -2.532 0.000 0.947) 2.703 6.559 ( -3.258 -0.000 -0.638) 3.320 7.182 ( -0.304 -0.000 0.104) 0.321 7.185 ( -0.115 0.000 -0.084) 0.143 7.408 ( 4.482 -0.000 1.472) 4.718 7.448 ( 4.398 0.000 -1.397) 4.614 7.640 ( -2.478 0.000 0.277) 2.493 7.646 ( -2.340 -0.000 -0.196) 2.348 ======================= Grid point 230 (91/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 3.369 1.765 0.538) 3.841 1.118 ( 5.885 1.125 -0.518) 6.014 1.239 ( 12.003 1.218 2.106) 12.247 1.284 ( 9.533 -0.710 -1.059) 9.618 1.494 ( -10.791 3.609 0.067) 11.379 1.567 ( -5.183 -2.302 -0.164) 5.673 1.600 ( -1.566 0.479 1.863) 2.480 1.626 ( -1.509 0.729 -0.853) 1.881 1.701 ( -0.667 1.030 0.914) 1.530 1.726 ( -3.205 1.603 0.246) 3.592 1.745 ( -1.702 0.525 -0.231) 1.796 1.787 ( -0.380 0.620 -2.717) 2.813 1.837 ( -3.104 -0.186 1.415) 3.416 1.906 ( -3.429 -3.898 -0.924) 5.273 1.988 ( 0.730 -0.571 0.904) 1.294 1.997 ( 0.398 -0.609 -0.184) 0.750 2.081 ( 0.545 0.675 4.978) 5.053 2.155 ( -1.607 1.676 -1.947) 3.030 2.199 ( 10.599 -1.347 -1.312) 10.765 2.245 ( 3.724 -2.801 -1.952) 5.052 2.370 ( -3.573 -2.090 0.953) 4.248 2.414 ( -3.675 -4.536 -0.621) 5.871 2.525 ( -9.665 2.470 0.555) 9.991 2.573 ( -7.582 -2.191 0.915) 7.945 2.806 ( 11.126 0.441 -0.022) 11.135 2.812 ( 11.144 -0.058 0.070) 11.144 3.012 ( -5.430 10.775 0.301) 12.069 3.021 ( -5.420 11.185 -0.267) 12.432 3.269 ( -6.110 -9.655 0.203) 11.428 3.283 ( -5.569 -9.939 -0.076) 11.393 4.542 ( 1.741 0.209 0.059) 1.754 4.543 ( 1.623 0.237 -0.059) 1.641 4.960 ( 5.337 0.490 -0.003) 5.359 4.965 ( 5.250 0.044 0.073) 5.251 5.219 ( -4.526 -0.028 0.125) 4.527 5.222 ( -4.646 -0.015 -0.145) 4.648 5.356 ( 1.398 1.715 0.164) 2.219 5.361 ( 1.447 1.641 -0.215) 2.198 5.737 ( 6.672 0.068 -0.007) 6.673 5.739 ( 6.570 -0.085 0.019) 6.571 5.990 ( -6.183 -0.751 0.351) 6.238 5.994 ( -6.162 -0.745 -0.102) 6.207 6.292 ( 1.449 0.398 0.417) 1.560 6.301 ( 1.510 0.264 -0.333) 1.569 6.431 ( 2.231 -0.181 0.050) 2.239 6.432 ( 2.266 -0.205 -0.050) 2.276 6.495 ( -2.365 0.035 0.443) 2.407 6.504 ( -2.562 -0.117 -0.280) 2.580 7.177 ( -0.346 0.099 0.169) 0.398 7.181 ( -0.272 0.058 -0.166) 0.324 7.483 ( 3.036 0.871 0.981) 3.307 7.511 ( 3.242 0.014 -0.963) 3.382 7.599 ( -2.422 -0.264 0.334) 2.459 7.604 ( -1.938 -0.435 -0.196) 1.996 ======================= Grid point 231 (92/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 14.174 -0.000 3.740) 14.659 0.987 ( 10.077 0.000 0.067) 10.077 0.989 ( 12.718 -0.000 0.255) 12.720 1.010 ( 16.469 0.000 -3.629) 16.864 1.603 ( -0.400 0.000 0.924) 1.007 1.610 ( -0.959 -0.000 -0.854) 1.284 1.630 ( 0.481 0.000 0.747) 0.889 1.640 ( 2.262 0.000 -1.388) 2.654 1.766 ( -2.742 0.000 1.554) 3.152 1.772 ( -1.517 -0.000 0.113) 1.522 1.872 ( 10.826 -0.000 0.869) 10.861 1.877 ( 5.857 0.000 -0.233) 5.862 1.897 ( -9.211 -0.000 1.496) 9.331 1.900 ( -1.752 0.000 0.350) 1.786 1.936 ( -10.238 -0.000 -0.968) 10.283 1.941 ( -5.438 0.000 -2.033) 5.805 2.101 ( -3.531 0.000 1.777) 3.953 2.102 ( -2.914 -0.000 1.393) 3.230 2.207 ( -2.624 0.000 -1.464) 3.004 2.208 ( -2.012 -0.000 -1.670) 2.615 2.448 ( -4.612 -0.000 1.391) 4.817 2.457 ( -4.444 0.000 -0.813) 4.517 2.636 ( 8.197 0.000 0.016) 8.197 2.636 ( 8.187 -0.000 -0.065) 8.188 2.747 ( -12.485 0.000 0.276) 12.488 2.748 ( -12.283 -0.000 0.029) 12.283 3.168 ( -4.099 -0.000 0.437) 4.122 3.172 ( -4.008 -0.000 -0.442) 4.032 3.320 ( -6.179 -0.000 0.243) 6.184 3.321 ( -6.083 0.000 -0.173) 6.085 4.507 ( 2.201 0.000 0.190) 2.210 4.509 ( 2.171 -0.000 -0.173) 2.178 4.849 ( 7.121 -0.000 0.141) 7.122 4.850 ( 7.060 0.000 -0.101) 7.061 5.273 ( 0.202 0.000 0.169) 0.263 5.274 ( 0.301 -0.000 -0.161) 0.341 5.353 ( -1.321 0.000 0.005) 1.321 5.353 ( -1.094 -0.000 -0.076) 1.097 5.589 ( 9.125 -0.000 0.104) 9.125 5.590 ( 9.103 0.000 -0.074) 9.103 6.117 ( -7.368 -0.000 0.257) 7.372 6.118 ( -7.324 0.000 -0.089) 7.324 6.262 ( 2.305 0.000 0.464) 2.351 6.266 ( 2.333 -0.000 -0.416) 2.370 6.383 ( 2.773 0.000 0.033) 2.773 6.383 ( 2.766 -0.000 -0.040) 2.766 6.546 ( -2.781 0.000 0.960) 2.942 6.553 ( -3.032 -0.000 -0.838) 3.146 7.183 ( -0.244 -0.000 0.110) 0.268 7.184 ( -0.179 0.000 -0.102) 0.206 7.422 ( 4.465 -0.000 1.643) 4.758 7.435 ( 4.436 0.000 -1.613) 4.720 7.642 ( -2.420 0.000 0.284) 2.437 7.645 ( -2.373 -0.000 -0.252) 2.386 ======================= Grid point 240 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -3.991 7.076 0.430) 8.135 1.119 ( -10.215 13.960 1.348) 17.350 1.137 ( -1.090 3.785 -0.367) 3.956 1.196 ( -9.480 10.201 -1.491) 14.005 1.495 ( 4.947 -5.129 -0.442) 7.140 1.583 ( -0.446 -0.380 0.084) 0.592 1.602 ( 0.908 -3.458 2.501) 4.363 1.621 ( 1.351 -2.655 -1.866) 3.515 1.727 ( 3.084 0.051 1.071) 3.265 1.733 ( 4.316 -0.289 0.671) 4.378 1.784 ( 2.634 -1.947 -0.905) 3.398 1.821 ( 5.630 -3.565 -0.369) 6.674 1.839 ( 0.153 -2.542 0.328) 2.568 1.909 ( -1.197 -5.091 -0.210) 5.234 1.948 ( -5.989 4.979 0.346) 7.796 2.009 ( 0.056 -1.060 -0.905) 1.394 2.019 ( 0.451 -0.261 -0.281) 0.592 2.125 ( -4.919 2.193 -0.175) 5.388 2.229 ( -4.584 4.453 0.477) 6.409 2.270 ( -0.222 0.284 -0.329) 0.488 2.427 ( 2.892 -4.606 0.812) 5.498 2.453 ( -0.207 -4.440 -0.292) 4.454 2.499 ( 6.481 -8.739 -0.218) 10.882 2.561 ( 1.392 -7.052 0.387) 7.199 2.807 ( -5.194 10.192 0.067) 11.439 2.810 ( -5.342 10.186 -0.005) 11.501 3.003 ( 11.054 0.339 -0.028) 11.059 3.015 ( 11.625 0.618 0.024) 11.642 3.269 ( -5.590 -10.213 0.080) 11.643 3.296 ( -4.640 -10.389 -0.016) 11.378 4.554 ( 0.186 0.878 0.025) 0.898 4.557 ( 0.319 0.746 -0.033) 0.812 4.980 ( -1.500 5.144 0.009) 5.358 4.982 ( -0.713 5.299 -0.020) 5.347 5.180 ( -0.523 -3.668 -0.023) 3.705 5.190 ( 0.095 -3.936 0.038) 3.937 5.345 ( -0.101 2.862 0.050) 2.864 5.351 ( -0.033 2.707 -0.060) 2.708 5.739 ( -2.898 5.975 0.106) 6.641 5.739 ( -2.859 6.035 -0.092) 6.678 5.996 ( 2.465 -6.114 0.213) 6.596 5.998 ( 2.522 -6.147 -0.200) 6.647 6.301 ( 0.313 1.197 0.118) 1.243 6.311 ( 0.342 0.860 -0.094) 0.930 6.422 ( -2.034 1.895 0.033) 2.780 6.425 ( -1.747 1.780 -0.001) 2.494 6.496 ( 1.338 -1.590 -0.047) 2.078 6.513 ( 1.634 -2.448 0.046) 2.943 7.170 ( -0.350 0.099 0.060) 0.369 7.174 ( -0.428 -0.015 -0.067) 0.433 7.473 ( -1.261 3.108 -0.115) 3.356 7.525 ( -1.160 2.644 0.167) 2.892 7.589 ( 0.877 -2.481 0.050) 2.632 7.618 ( 1.484 -1.822 -0.042) 2.351 ======================= Grid point 241 (94/125) ======================= q-point: (-0.56 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 3.564 1.886 -0.000) 4.033 1.115 ( 5.635 0.995 -0.000) 5.722 1.249 ( 11.945 1.741 -0.000) 12.071 1.278 ( 9.607 -1.136 0.000) 9.674 1.494 ( -10.727 4.003 -0.000) 11.450 1.566 ( -4.939 -2.813 0.000) 5.684 1.612 ( -1.571 0.912 -0.000) 1.816 1.619 ( -1.364 0.210 -0.000) 1.380 1.707 ( -0.975 1.904 -0.000) 2.139 1.724 ( -5.136 0.476 -0.000) 5.159 1.748 ( 0.266 1.218 -0.000) 1.247 1.773 ( -0.701 0.414 -0.000) 0.814 1.844 ( -3.301 -0.120 -0.000) 3.304 1.902 ( -3.088 -4.056 0.000) 5.098 1.994 ( 0.952 -0.376 0.000) 1.024 1.995 ( 0.656 -0.877 0.000) 1.096 2.110 ( -3.970 2.816 -0.000) 4.867 2.138 ( 2.557 -0.452 0.000) 2.597 2.195 ( 8.790 -0.237 0.000) 8.794 2.236 ( 5.092 -3.882 0.000) 6.403 2.375 ( -3.596 -1.919 0.000) 4.076 2.411 ( -3.855 -4.620 0.000) 6.017 2.528 ( -9.528 2.588 -0.000) 9.873 2.577 ( -7.421 -2.233 0.000) 7.750 2.806 ( 11.116 0.460 0.000) 11.126 2.812 ( 11.151 -0.073 0.000) 11.151 3.013 ( -5.432 10.836 -0.000) 12.121 3.019 ( -5.408 11.124 -0.000) 12.369 3.270 ( -6.119 -9.644 0.000) 11.421 3.283 ( -5.552 -9.935 0.000) 11.381 4.543 ( 1.630 0.236 -0.000) 1.647 4.543 ( 1.728 0.212 0.000) 1.741 4.960 ( 5.338 0.508 0.000) 5.362 4.965 ( 5.246 0.033 0.000) 5.246 5.220 ( -4.565 -0.038 -0.000) 4.566 5.221 ( -4.607 -0.012 -0.000) 4.607 5.357 ( 1.429 1.795 -0.000) 2.294 5.360 ( 1.426 1.558 -0.000) 2.112 5.737 ( 6.675 0.074 0.000) 6.676 5.739 ( 6.561 -0.091 0.000) 6.562 5.993 ( -6.174 -0.719 -0.000) 6.216 5.993 ( -6.202 -0.759 -0.000) 6.248 6.295 ( 1.442 0.545 -0.000) 1.542 6.299 ( 1.514 0.122 0.000) 1.519 6.431 ( 2.262 -0.171 0.000) 2.269 6.432 ( 2.241 -0.217 0.000) 2.252 6.498 ( -2.592 0.184 -0.000) 2.598 6.502 ( -2.358 -0.254 -0.000) 2.371 7.178 ( -0.345 0.159 -0.000) 0.380 7.180 ( -0.277 -0.001 -0.000) 0.277 7.488 ( 2.647 1.295 -0.000) 2.947 7.506 ( 3.612 -0.422 0.000) 3.636 7.600 ( -2.731 -0.251 -0.000) 2.742 7.603 ( -1.609 -0.428 0.000) 1.665 ======================= Grid point 250 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -6.209 12.724 -0.000) 14.158 0.873 ( -9.881 15.055 -0.000) 18.008 0.888 ( -2.741 11.230 -0.000) 11.560 1.051 ( -2.651 7.016 -0.000) 7.500 1.569 ( 0.745 -1.401 0.000) 1.587 1.581 ( 0.047 0.830 -0.000) 0.831 1.665 ( 2.133 -1.977 0.000) 2.908 1.677 ( -4.419 7.275 -0.000) 8.512 1.687 ( -1.096 1.516 -0.000) 1.870 1.767 ( 0.627 -1.606 0.000) 1.724 1.799 ( -2.113 3.100 -0.000) 3.752 1.869 ( -3.276 10.111 -0.000) 10.628 1.931 ( 2.735 -4.334 0.000) 5.125 1.935 ( -0.400 -5.091 0.000) 5.107 1.942 ( 4.344 -6.648 0.000) 7.942 2.013 ( 5.339 -7.661 0.000) 9.339 2.031 ( 1.081 -2.042 0.000) 2.310 2.073 ( 2.721 -4.863 0.000) 5.572 2.214 ( 0.050 -3.466 0.000) 3.466 2.260 ( -0.507 -0.412 0.000) 0.653 2.499 ( 1.618 -2.728 0.000) 3.172 2.505 ( 0.869 -4.345 0.000) 4.431 2.624 ( -3.566 6.232 -0.000) 7.180 2.640 ( -3.392 6.719 -0.000) 7.527 2.731 ( 6.863 -10.986 0.000) 12.953 2.748 ( 5.578 -10.171 0.000) 11.600 3.152 ( 3.608 -2.699 0.000) 4.506 3.171 ( 3.649 -2.171 0.000) 4.246 3.296 ( 0.075 -6.775 0.000) 6.776 3.342 ( 0.337 -7.106 0.000) 7.114 4.531 ( -1.511 1.151 -0.000) 1.900 4.538 ( -1.466 1.013 -0.000) 1.782 4.862 ( -3.323 7.442 -0.000) 8.150 4.870 ( -3.051 7.811 -0.000) 8.386 5.242 ( 1.540 -3.586 0.000) 3.902 5.256 ( 1.282 -3.424 0.000) 3.657 5.302 ( -0.908 2.612 -0.000) 2.765 5.312 ( -0.633 2.237 -0.000) 2.325 5.598 ( -4.088 8.157 -0.000) 9.123 5.599 ( -4.018 8.103 -0.000) 9.044 6.114 ( 2.652 -6.138 0.000) 6.687 6.122 ( 3.196 -6.416 0.000) 7.168 6.287 ( -0.091 1.185 -0.000) 1.189 6.299 ( -0.282 0.908 -0.000) 0.950 6.361 ( -2.166 2.578 -0.000) 3.367 6.370 ( -1.761 2.635 -0.000) 3.169 6.537 ( 1.284 -1.570 0.000) 2.028 6.574 ( 1.872 -3.088 0.000) 3.611 7.164 ( -0.655 -0.002 -0.000) 0.655 7.165 ( -0.208 -0.045 0.000) 0.212 7.407 ( -1.907 3.637 -0.000) 4.107 7.463 ( -2.016 3.336 -0.000) 3.898 7.633 ( 1.070 -2.050 0.000) 2.312 7.666 ( 1.612 -1.671 0.000) 2.322 ======================= Grid point 259 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 19.532 -0.000) 19.532 0.750 ( 0.000 11.590 -0.000) 11.590 0.891 ( 0.000 11.003 -0.000) 11.003 1.001 ( 0.000 7.888 -0.000) 7.888 1.515 ( 0.000 17.919 -0.000) 17.919 1.585 ( -0.000 -1.596 0.000) 1.596 1.603 ( 0.000 23.123 -0.000) 23.123 1.605 ( -0.000 -1.242 0.000) 1.242 1.735 ( 0.000 0.263 -0.000) 0.263 1.759 ( -0.000 -0.124 0.000) 0.124 1.768 ( -0.000 -4.516 0.000) 4.516 1.832 ( -0.000 -6.755 0.000) 6.755 1.973 ( -0.000 -1.983 0.000) 1.983 1.992 ( -0.000 -6.226 0.000) 6.226 2.018 ( -0.000 -3.180 0.000) 3.180 2.027 ( -0.000 -1.503 0.000) 1.503 2.118 ( -0.000 -12.759 0.000) 12.759 2.157 ( -0.000 -13.098 0.000) 13.098 2.231 ( -0.000 -3.469 0.000) 3.469 2.249 ( 0.000 0.430 -0.000) 0.430 2.529 ( -0.000 -3.772 0.000) 3.772 2.546 ( 0.000 5.574 -0.000) 5.574 2.547 ( 0.000 5.746 -0.000) 5.746 2.550 ( -0.000 -0.566 0.000) 0.566 2.938 ( -0.000 -15.233 0.000) 15.233 2.957 ( -0.000 -13.083 0.000) 13.083 3.018 ( -0.000 -8.245 0.000) 8.245 3.023 ( -0.000 -8.234 0.000) 8.234 3.426 ( -0.000 -0.028 0.000) 0.028 3.452 ( -0.000 -1.066 0.000) 1.066 4.477 ( 0.000 0.883 -0.000) 0.883 4.483 ( 0.000 0.727 -0.000) 0.727 4.812 ( 0.000 8.512 -0.000) 8.512 4.823 ( 0.000 8.800 -0.000) 8.800 5.235 ( 0.000 2.282 -0.000) 2.282 5.239 ( 0.000 1.860 -0.000) 1.860 5.315 ( -0.000 -3.783 0.000) 3.783 5.328 ( -0.000 -3.262 0.000) 3.262 5.529 ( 0.000 10.881 -0.000) 10.881 5.534 ( 0.000 10.464 -0.000) 10.464 6.143 ( -0.000 -4.394 0.000) 4.394 6.169 ( -0.000 -5.115 0.000) 5.115 6.290 ( -0.000 -2.048 0.000) 2.048 6.294 ( -0.000 -1.898 0.000) 1.898 6.324 ( 0.000 4.121 -0.000) 4.121 6.343 ( 0.000 3.927 -0.000) 3.927 6.560 ( -0.000 -1.610 0.000) 1.610 6.610 ( -0.000 -3.688 0.000) 3.688 7.147 ( 0.000 0.274 -0.000) 0.274 7.162 ( -0.000 -0.150 0.000) 0.150 7.369 ( 0.000 3.955 -0.000) 3.955 7.424 ( 0.000 3.651 -0.000) 3.651 7.652 ( -0.000 -1.626 0.000) 1.626 7.696 ( -0.000 -1.660 0.000) 1.660 ======================= Grid point 260 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -1.690 13.961 -0.197) 14.064 0.935 ( -2.995 16.864 1.108) 17.164 0.996 ( 0.601 12.256 -0.639) 12.287 1.085 ( -1.176 6.748 -0.045) 6.850 1.566 ( 0.347 -1.310 -0.231) 1.375 1.591 ( 0.330 -0.254 -0.124) 0.434 1.678 ( 2.982 -3.996 -2.601) 5.623 1.692 ( 1.392 -1.194 0.082) 1.836 1.716 ( -1.705 6.961 3.060) 7.793 1.754 ( -0.569 0.759 -0.464) 1.056 1.791 ( -1.025 -1.131 0.687) 1.674 1.850 ( -3.674 3.379 -2.137) 5.430 1.892 ( 0.310 -8.358 1.574) 8.511 1.949 ( -0.743 -6.713 -0.203) 6.757 1.968 ( 2.728 2.322 -1.975) 4.091 1.986 ( 3.234 2.224 1.592) 4.235 2.036 ( 0.640 -4.605 -0.547) 4.681 2.050 ( 0.614 -3.056 2.001) 3.704 2.184 ( 0.619 -3.397 0.663) 3.516 2.260 ( 0.006 1.265 0.366) 1.317 2.480 ( 1.036 -3.967 -0.212) 4.105 2.523 ( 2.294 -0.142 -0.529) 2.358 2.632 ( -2.090 5.234 -0.048) 5.636 2.644 ( -3.536 6.826 -0.045) 7.688 2.725 ( 3.849 -11.656 -0.224) 12.278 2.744 ( 6.463 -10.531 0.018) 12.356 3.012 ( -6.227 -9.950 -0.009) 11.738 3.017 ( -6.417 -9.834 -0.037) 11.743 3.377 ( 5.613 0.104 -0.058) 5.614 3.396 ( 5.283 -0.913 0.116) 5.363 4.505 ( -2.031 0.700 -0.058) 2.149 4.510 ( -2.072 0.524 0.060) 2.138 4.902 ( -1.086 7.393 0.081) 7.473 4.914 ( -1.094 7.438 -0.006) 7.518 5.236 ( 1.463 -3.047 0.066) 3.381 5.244 ( 0.898 -2.666 0.004) 2.813 5.297 ( -1.392 0.999 0.041) 1.714 5.307 ( -1.077 0.330 0.001) 1.127 5.646 ( -1.210 9.746 -0.009) 9.821 5.647 ( -1.215 9.540 0.046) 9.617 6.079 ( 0.994 -6.888 0.015) 6.959 6.092 ( 1.416 -7.356 -0.012) 7.491 6.286 ( -0.639 0.246 -0.010) 0.685 6.292 ( -0.806 0.079 -0.003) 0.810 6.368 ( -0.591 3.433 0.084) 3.485 6.383 ( -0.380 3.053 -0.021) 3.077 6.538 ( 0.687 -1.638 0.104) 1.779 6.565 ( 0.903 -3.285 -0.094) 3.408 7.155 ( -0.463 0.177 0.019) 0.496 7.161 ( -0.137 -0.119 -0.014) 0.182 7.417 ( -1.107 3.555 0.187) 3.728 7.464 ( -1.127 2.430 -0.154) 2.684 7.632 ( 0.739 -1.209 0.111) 1.421 7.670 ( 0.907 -1.896 -0.123) 2.106 ======================= Grid point 261 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -3.238 6.407 -2.119) 7.485 1.125 ( -3.723 5.864 1.425) 7.091 1.139 ( -3.060 11.482 -1.413) 11.966 1.202 ( -3.525 10.396 2.462) 11.250 1.517 ( 2.900 -4.857 1.053) 5.754 1.558 ( 1.886 -7.486 0.541) 7.739 1.584 ( 0.513 -0.821 -2.472) 2.654 1.623 ( 0.495 -1.952 1.615) 2.581 1.752 ( -0.149 0.843 -0.712) 1.113 1.775 ( 1.840 -1.807 -2.704) 3.737 1.785 ( -0.426 -2.786 -0.265) 2.831 1.815 ( 0.922 -1.579 -3.276) 3.752 1.854 ( 2.475 -4.943 2.040) 5.893 1.877 ( 0.699 -2.095 1.456) 2.645 1.937 ( 0.375 4.037 -0.958) 4.166 2.015 ( 0.775 -0.363 -0.662) 1.082 2.021 ( -0.100 1.245 3.222) 3.455 2.081 ( -1.502 -0.136 3.839) 4.124 2.216 ( -3.086 7.257 -0.509) 7.902 2.273 ( -0.098 1.350 -0.048) 1.355 2.420 ( 1.237 -2.752 -0.204) 3.024 2.465 ( 3.586 -0.293 -1.642) 3.955 2.510 ( 3.341 -9.871 -0.623) 10.440 2.543 ( 6.276 -6.410 0.557) 8.988 2.813 ( -5.829 9.859 -0.073) 11.454 2.815 ( -5.555 10.011 -0.139) 11.450 3.021 ( -5.970 -9.897 -0.010) 11.558 3.028 ( -6.451 -10.356 -0.085) 12.201 3.236 ( 9.858 -0.352 -0.480) 9.876 3.255 ( 9.281 -1.539 0.486) 9.420 4.547 ( -1.725 0.425 -0.201) 1.788 4.552 ( -1.658 0.331 0.208) 1.703 5.002 ( -2.640 5.921 0.116) 6.484 5.013 ( -2.642 5.676 -0.046) 6.260 5.156 ( 2.791 -4.190 0.086) 5.035 5.168 ( 2.682 -4.535 -0.049) 5.268 5.347 ( -2.018 1.263 -0.112) 2.383 5.351 ( -2.053 1.070 0.161) 2.321 5.762 ( -2.240 7.384 -0.103) 7.717 5.764 ( -2.309 7.400 0.126) 7.753 5.975 ( 2.719 -6.729 -0.205) 7.260 5.981 ( 2.915 -6.809 0.234) 7.410 6.306 ( -0.752 0.565 -0.291) 0.985 6.313 ( -0.929 0.367 0.256) 1.031 6.413 ( -1.219 2.137 0.058) 2.461 6.418 ( -0.996 1.722 -0.010) 1.989 6.506 ( 1.322 -1.262 0.038) 1.828 6.516 ( 1.435 -2.276 -0.044) 2.691 7.163 ( -0.393 0.009 -0.140) 0.417 7.166 ( -0.471 0.023 0.157) 0.497 7.477 ( -1.761 2.953 0.284) 3.450 7.508 ( -2.107 0.611 -0.121) 2.197 7.601 ( 1.864 -0.451 -0.195) 1.928 7.627 ( 1.618 -1.916 -0.006) 2.508 ======================= Grid point 262 (99/125) ======================= q-point: ( 0.67 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -2.349 -0.000 -2.412) 3.367 1.184 ( 0.318 0.000 2.226) 2.249 1.309 ( -8.909 -0.000 -2.449) 9.239 1.386 ( -4.753 0.000 3.079) 5.663 1.425 ( 4.515 -0.000 -0.543) 4.547 1.432 ( 3.045 0.000 0.245) 3.055 1.577 ( -0.570 -0.000 -2.060) 2.137 1.624 ( -0.046 0.000 1.152) 1.153 1.714 ( 1.555 -0.000 -1.334) 2.049 1.735 ( 3.344 -0.000 -1.270) 3.577 1.773 ( 3.212 0.000 0.380) 3.235 1.785 ( -1.997 -0.000 -0.977) 2.224 1.815 ( -2.972 0.000 0.450) 3.005 1.831 ( 2.352 0.000 2.577) 3.489 1.968 ( -1.615 -0.000 -3.370) 3.737 1.997 ( 0.276 -0.000 -0.649) 0.705 2.072 ( -0.512 0.000 1.129) 1.240 2.124 ( -3.122 0.000 4.557) 5.524 2.301 ( -2.430 -0.000 -0.569) 2.496 2.321 ( -3.280 0.000 0.597) 3.334 2.340 ( 6.456 -0.000 -1.067) 6.544 2.374 ( 7.641 0.000 1.337) 7.757 2.436 ( -3.384 -0.000 -2.181) 4.026 2.452 ( -1.285 -0.000 -0.930) 1.586 2.980 ( 0.789 -0.000 -0.014) 0.789 2.980 ( 1.333 -0.000 0.001) 1.333 3.040 ( 3.887 -0.000 -0.422) 3.910 3.053 ( -2.122 0.000 0.437) 2.166 3.077 ( 0.469 -0.000 -0.145) 0.491 3.077 ( -5.350 -0.000 -0.226) 5.355 4.563 ( 0.185 -0.000 -0.085) 0.204 4.565 ( 0.445 0.000 0.094) 0.455 5.054 ( 4.694 -0.000 -0.171) 4.697 5.058 ( 4.867 -0.000 0.114) 4.868 5.125 ( -5.385 0.000 -0.044) 5.385 5.127 ( -5.390 0.000 0.082) 5.391 5.375 ( -0.317 -0.000 -0.229) 0.391 5.382 ( -0.355 0.000 0.278) 0.451 5.853 ( 5.517 -0.000 -0.155) 5.519 5.857 ( 5.762 0.000 0.191) 5.765 5.876 ( -5.146 -0.000 -0.271) 5.153 5.881 ( -5.263 0.000 0.098) 5.264 6.311 ( 0.452 -0.000 -0.480) 0.660 6.323 ( 0.402 0.000 0.393) 0.563 6.452 ( -2.006 -0.000 -0.205) 2.017 6.457 ( -2.273 0.000 0.117) 2.276 6.469 ( 1.935 -0.000 -0.109) 1.938 6.472 ( 2.008 0.000 0.083) 2.010 7.170 ( -0.399 -0.000 -0.189) 0.442 7.175 ( -0.441 0.000 0.202) 0.485 7.531 ( 0.461 -0.000 -0.081) 0.468 7.537 ( -1.699 0.000 0.361) 1.737 7.568 ( 0.018 -0.000 -0.768) 0.768 7.582 ( 1.765 0.000 0.313) 1.792 ======================= Grid point 270 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 19.322 1.043) 19.350 0.755 ( 0.000 11.730 1.140) 11.785 0.890 ( 0.000 11.015 -0.314) 11.020 0.996 ( 0.000 7.969 -1.321) 8.078 1.503 ( 0.000 14.914 -2.323) 15.094 1.568 ( 0.000 11.343 -4.138) 12.074 1.604 ( 0.000 1.206 3.779) 3.967 1.643 ( 0.000 9.907 4.741) 10.983 1.736 ( 0.000 0.148 0.113) 0.187 1.745 ( -0.000 -1.142 -1.844) 2.169 1.785 ( -0.000 -3.036 2.453) 3.903 1.831 ( -0.000 -6.105 -0.345) 6.115 1.957 ( -0.000 -3.807 -5.351) 6.567 1.962 ( -0.000 -1.576 -2.372) 2.848 2.034 ( -0.000 -2.531 1.423) 2.904 2.047 ( -0.000 -6.845 4.071) 7.965 2.117 ( -0.000 -10.940 -0.081) 10.941 2.156 ( -0.000 -12.219 -0.107) 12.220 2.237 ( -0.000 -3.666 1.497) 3.960 2.256 ( 0.000 -0.059 1.590) 1.591 2.526 ( -0.000 -3.636 -0.661) 3.696 2.541 ( 0.000 1.861 -1.137) 2.181 2.546 ( 0.000 5.559 0.037) 5.559 2.550 ( 0.000 3.217 0.028) 3.217 2.939 ( -0.000 -15.207 0.036) 15.207 2.956 ( -0.000 -13.200 -0.293) 13.204 3.018 ( -0.000 -8.242 0.038) 8.242 3.023 ( -0.000 -8.229 -0.023) 8.229 3.427 ( 0.000 -0.056 0.255) 0.261 3.452 ( -0.000 -1.032 -0.116) 1.039 4.477 ( 0.000 0.880 0.038) 0.881 4.483 ( 0.000 0.733 -0.047) 0.735 4.813 ( 0.000 8.507 0.181) 8.509 4.823 ( 0.000 8.772 0.044) 8.772 5.236 ( 0.000 2.271 0.072) 2.273 5.239 ( 0.000 1.877 0.019) 1.877 5.316 ( -0.000 -3.764 0.176) 3.768 5.328 ( -0.000 -3.275 -0.004) 3.275 5.529 ( 0.000 10.876 0.057) 10.876 5.534 ( 0.000 10.484 -0.017) 10.484 6.144 ( -0.000 -4.406 0.154) 4.409 6.168 ( -0.000 -5.083 -0.208) 5.087 6.290 ( -0.000 -2.036 0.007) 2.036 6.294 ( -0.000 -1.884 -0.054) 1.885 6.325 ( 0.000 4.110 0.206) 4.116 6.343 ( 0.000 3.939 -0.084) 3.940 6.562 ( -0.000 -1.693 0.398) 1.739 6.608 ( -0.000 -3.639 -0.324) 3.653 7.148 ( 0.000 0.262 0.100) 0.280 7.161 ( -0.000 -0.136 -0.103) 0.171 7.370 ( 0.000 3.962 0.386) 3.981 7.422 ( 0.000 3.682 -0.408) 3.705 7.654 ( -0.000 -1.634 0.340) 1.669 7.695 ( -0.000 -1.663 -0.288) 1.688 ======================= Grid point 271 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.892 14.712 0.112) 14.739 0.950 ( -3.274 15.833 2.301) 16.331 0.987 ( 0.748 12.021 -1.496) 12.137 1.083 ( -1.737 7.302 -0.334) 7.513 1.561 ( -0.084 0.008 -0.809) 0.813 1.589 ( -0.229 0.520 -0.454) 0.728 1.659 ( 3.256 -3.239 -1.516) 4.837 1.691 ( 0.562 0.417 -0.042) 0.701 1.736 ( -0.577 -1.143 0.005) 1.280 1.758 ( -0.339 4.641 2.768) 5.414 1.798 ( -0.426 -1.483 0.854) 1.763 1.828 ( -2.447 -3.239 -2.356) 4.694 1.904 ( 0.334 -5.985 0.627) 6.027 1.945 ( -0.495 -5.146 -0.545) 5.199 1.956 ( 0.468 6.882 -0.859) 6.951 1.991 ( 2.342 0.439 -0.421) 2.419 2.043 ( 1.242 -4.477 2.180) 5.132 2.068 ( 1.245 -2.337 2.179) 3.430 2.195 ( 0.893 -3.390 2.003) 4.038 2.266 ( 0.164 0.820 1.028) 1.325 2.476 ( 1.230 -3.462 -0.751) 3.750 2.514 ( 2.052 -0.572 -1.383) 2.540 2.631 ( -2.192 5.375 -0.066) 5.805 2.643 ( -3.356 6.736 -0.151) 7.527 2.721 ( 4.279 -11.637 -0.547) 12.411 2.744 ( 5.981 -10.774 0.021) 12.323 3.012 ( -6.291 -9.987 -0.021) 11.804 3.016 ( -6.353 -9.824 -0.095) 11.699 3.376 ( 5.781 -0.020 -0.119) 5.782 3.398 ( 5.152 -0.782 0.266) 5.218 4.504 ( -1.968 0.653 -0.110) 2.077 4.511 ( -2.136 0.573 0.114) 2.215 4.903 ( -1.077 7.383 0.223) 7.464 4.914 ( -1.084 7.414 -0.033) 7.493 5.237 ( 1.447 -3.018 0.177) 3.352 5.244 ( 0.946 -2.664 0.001) 2.827 5.298 ( -1.335 0.940 0.107) 1.636 5.307 ( -1.102 0.382 0.000) 1.166 5.646 ( -1.182 9.675 0.009) 9.747 5.647 ( -1.236 9.625 0.085) 9.704 6.079 ( 1.072 -6.921 0.039) 7.003 6.092 ( 1.330 -7.296 -0.032) 7.416 6.286 ( -0.601 0.193 -0.025) 0.632 6.292 ( -0.847 0.129 -0.008) 0.857 6.370 ( -0.563 3.422 0.231) 3.476 6.382 ( -0.379 3.090 -0.072) 3.114 6.540 ( 0.706 -1.754 0.295) 1.914 6.564 ( 0.886 -3.194 -0.271) 3.326 7.155 ( -0.427 0.154 0.051) 0.457 7.161 ( -0.179 -0.094 -0.040) 0.206 7.420 ( -1.098 3.527 0.535) 3.732 7.462 ( -1.120 2.552 -0.453) 2.824 7.634 ( 0.796 -1.303 0.321) 1.560 7.668 ( 0.866 -1.873 -0.348) 2.093 ======================= Grid point 272 (102/125) ======================= q-point: ( 0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -2.980 5.079 -2.184) 6.281 1.117 ( -2.929 13.233 -1.869) 13.682 1.150 ( -3.328 4.614 2.413) 6.180 1.222 ( -4.249 11.367 2.204) 12.333 1.528 ( 3.209 -5.538 1.406) 6.554 1.557 ( 1.430 -3.491 -1.328) 3.999 1.574 ( 1.132 -3.978 0.774) 4.208 1.632 ( 0.286 -1.963 0.572) 2.065 1.740 ( 0.693 1.339 -2.688) 3.082 1.749 ( 1.329 -2.548 -2.565) 3.852 1.781 ( 0.687 -1.922 -1.214) 2.375 1.795 ( -1.111 -2.999 -0.906) 3.324 1.870 ( 2.377 -5.584 1.812) 6.333 1.879 ( -1.036 -0.692 -0.664) 1.412 1.934 ( 2.888 1.444 0.238) 3.238 2.010 ( 1.298 -0.056 -0.474) 1.383 2.056 ( -0.689 3.316 4.948) 5.996 2.119 ( -0.889 0.759 5.067) 5.200 2.210 ( -2.867 7.106 -1.130) 7.745 2.273 ( -0.073 0.805 -0.103) 0.815 2.415 ( 1.672 -1.900 -1.384) 2.885 2.450 ( 3.513 -1.727 -1.651) 4.248 2.504 ( 3.411 -9.485 -0.836) 10.114 2.547 ( 5.910 -6.442 0.482) 8.755 2.812 ( -5.886 9.946 -0.121) 11.558 2.814 ( -5.554 9.981 -0.199) 11.424 3.020 ( -6.019 -10.000 -0.023) 11.671 3.027 ( -6.450 -10.321 -0.120) 12.171 3.232 ( 9.817 -0.553 -0.509) 9.846 3.260 ( 9.417 -1.317 0.516) 9.523 4.545 ( -1.757 0.392 -0.179) 1.809 4.553 ( -1.627 0.361 0.189) 1.677 5.003 ( -2.621 5.896 0.205) 6.456 5.012 ( -2.625 5.693 -0.100) 6.270 5.157 ( 2.776 -4.298 0.150) 5.119 5.167 ( 2.756 -4.427 -0.093) 5.216 5.346 ( -1.968 1.191 -0.103) 2.303 5.353 ( -2.083 1.154 0.178) 2.388 5.761 ( -2.173 7.379 -0.077) 7.693 5.765 ( -2.324 7.391 0.113) 7.749 5.974 ( 2.742 -6.783 -0.185) 7.319 5.983 ( 2.903 -6.740 0.229) 7.342 6.303 ( -0.679 0.463 -0.286) 0.871 6.315 ( -0.993 0.459 0.232) 1.118 6.413 ( -1.147 2.091 0.098) 2.388 6.418 ( -0.990 1.787 -0.025) 2.043 6.506 ( 1.342 -1.401 0.064) 1.941 6.515 ( 1.414 -2.156 -0.073) 2.579 7.162 ( -0.361 0.002 -0.108) 0.377 7.167 ( -0.504 0.029 0.134) 0.522 7.480 ( -1.749 2.840 0.519) 3.376 7.507 ( -2.087 0.951 -0.270) 2.309 7.599 ( 2.004 -0.885 -0.281) 2.208 7.627 ( 1.511 -1.707 -0.024) 2.279 ======================= Grid point 273 (103/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -3.113 -0.000 -1.802) 3.597 1.200 ( 0.919 0.000 1.560) 1.810 1.292 ( -9.279 -0.000 -1.625) 9.420 1.408 ( 0.615 0.000 2.070) 2.159 1.420 ( 4.860 -0.000 -0.613) 4.898 1.436 ( -0.618 0.000 0.620) 0.875 1.561 ( -0.381 -0.000 -1.566) 1.612 1.631 ( 0.155 0.000 0.575) 0.596 1.703 ( -0.074 -0.000 -1.163) 1.165 1.721 ( 1.902 -0.000 -1.738) 2.576 1.777 ( -1.743 -0.000 -0.921) 1.972 1.780 ( 4.611 0.000 1.039) 4.726 1.818 ( -3.372 0.000 0.279) 3.384 1.853 ( 1.780 0.000 2.545) 3.106 1.940 ( -1.932 -0.000 -3.242) 3.774 1.992 ( 0.238 -0.000 -0.583) 0.629 2.084 ( 2.440 0.000 1.484) 2.856 2.161 ( -1.926 0.000 4.264) 4.679 2.297 ( -2.026 -0.000 -0.555) 2.101 2.324 ( -4.097 0.000 0.011) 4.097 2.335 ( 4.643 -0.000 0.117) 4.644 2.385 ( 7.579 0.000 1.235) 7.679 2.415 ( -3.799 -0.000 -2.830) 4.737 2.441 ( -0.456 -0.000 -1.540) 1.606 2.979 ( 0.504 -0.000 -0.013) 0.504 2.980 ( 1.388 -0.000 -0.003) 1.388 3.038 ( 5.430 -0.000 -0.244) 5.435 3.056 ( -5.094 0.000 0.232) 5.099 3.075 ( -6.705 -0.000 -0.322) 6.713 3.076 ( 3.463 -0.000 -0.064) 3.463 4.562 ( 0.116 -0.000 -0.061) 0.131 4.566 ( 0.514 0.000 0.072) 0.519 5.053 ( 4.684 -0.000 -0.139) 4.686 5.059 ( 4.953 -0.000 0.074) 4.954 5.125 ( -5.393 0.000 -0.026) 5.393 5.127 ( -5.405 0.000 0.069) 5.406 5.373 ( -0.307 -0.000 -0.162) 0.347 5.384 ( -0.365 0.000 0.217) 0.424 5.852 ( 5.461 -0.000 -0.108) 5.462 5.859 ( 5.837 -0.000 0.149) 5.839 5.874 ( -5.059 -0.000 -0.236) 5.065 5.882 ( -5.238 0.000 0.039) 5.238 6.307 ( 0.477 -0.000 -0.374) 0.606 6.325 ( 0.399 0.000 0.275) 0.485 6.451 ( -1.910 -0.000 -0.170) 1.918 6.458 ( -2.325 0.000 0.069) 2.326 6.468 ( 1.938 -0.000 -0.085) 1.940 6.472 ( 2.043 0.000 0.057) 2.043 7.168 ( -0.384 -0.000 -0.138) 0.408 7.177 ( -0.448 0.000 0.153) 0.473 7.531 ( 1.589 0.000 0.056) 1.590 7.540 ( -2.115 0.000 0.318) 2.139 7.562 ( -0.976 -0.000 -0.721) 1.213 7.584 ( 2.097 0.000 0.149) 2.102 ======================= Grid point 280 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 18.719 1.825) 18.808 0.767 ( 0.000 12.270 1.629) 12.378 0.887 ( 0.000 10.913 -0.182) 10.915 0.980 ( 0.000 8.191 -2.445) 8.548 1.485 ( -0.000 12.478 -1.816) 12.610 1.536 ( 0.000 10.922 -3.667) 11.521 1.639 ( 0.000 3.000 4.441) 5.359 1.682 ( 0.000 7.904 4.411) 9.051 1.733 ( -0.000 0.390 -0.939) 1.017 1.738 ( -0.000 -0.138 0.528) 0.546 1.804 ( -0.000 -2.466 2.238) 3.330 1.826 ( -0.000 -4.124 -0.861) 4.213 1.913 ( -0.000 -2.841 -5.137) 5.870 1.939 ( -0.000 -1.389 -3.091) 3.389 2.046 ( 0.000 -4.590 1.402) 4.799 2.073 ( -0.000 -12.014 1.841) 12.154 2.119 ( 0.000 -5.666 0.718) 5.711 2.155 ( -0.000 -10.195 -0.246) 10.198 2.255 ( 0.000 -3.858 2.782) 4.756 2.274 ( -0.000 -1.024 2.585) 2.780 2.518 ( -0.000 -3.296 -1.216) 3.513 2.529 ( -0.000 0.009 -1.885) 1.885 2.546 ( -0.000 5.546 0.064) 5.547 2.550 ( -0.000 4.770 -0.053) 4.770 2.939 ( -0.000 -15.125 0.088) 15.125 2.953 ( -0.000 -13.517 -0.474) 13.525 3.019 ( -0.000 -8.234 0.075) 8.234 3.023 ( -0.000 -8.219 -0.057) 8.219 3.430 ( 0.000 -0.138 0.458) 0.478 3.450 ( 0.000 -0.937 -0.244) 0.968 4.478 ( -0.000 0.872 0.074) 0.875 4.482 ( -0.000 0.752 -0.086) 0.757 4.815 ( -0.000 8.498 0.308) 8.504 4.824 ( -0.000 8.701 0.034) 8.701 5.236 ( -0.000 2.242 0.119) 2.245 5.239 ( -0.000 1.923 0.019) 1.923 5.318 ( 0.000 -3.712 0.300) 3.724 5.328 ( 0.000 -3.313 -0.036) 3.314 5.530 ( 0.000 10.857 0.098) 10.857 5.533 ( 0.000 10.540 -0.036) 10.540 6.146 ( -0.000 -4.444 0.300) 4.455 6.165 ( -0.000 -4.994 -0.383) 5.009 6.290 ( 0.000 -2.002 0.019) 2.002 6.293 ( 0.000 -1.862 -0.086) 1.864 6.327 ( 0.000 4.092 0.358) 4.107 6.342 ( 0.000 3.971 -0.175) 3.975 6.567 ( -0.000 -1.923 0.727) 2.056 6.604 ( -0.000 -3.494 -0.615) 3.548 7.149 ( -0.000 0.227 0.188) 0.295 7.160 ( -0.000 -0.097 -0.193) 0.216 7.375 ( -0.000 3.979 0.727) 4.045 7.417 ( -0.000 3.762 -0.762) 3.838 7.658 ( -0.000 -1.654 0.632) 1.770 7.691 ( -0.000 -1.672 -0.551) 1.760 ======================= Grid point 281 (105/125) ======================= q-point: ( 0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.005 15.435 0.783) 15.455 0.964 ( 0.130 11.450 -0.467) 11.460 0.980 ( -2.625 15.192 1.204) 15.464 1.079 ( -2.508 7.850 -0.847) 8.285 1.553 ( -0.237 1.352 -1.126) 1.775 1.584 ( -1.149 1.869 -0.733) 2.314 1.653 ( 3.443 -3.979 -0.034) 5.262 1.693 ( 0.863 0.342 0.373) 1.001 1.728 ( -0.031 -1.081 -1.269) 1.667 1.782 ( -1.006 0.703 1.278) 1.772 1.801 ( 0.410 -3.009 0.660) 3.108 1.820 ( -1.655 -4.269 0.661) 4.626 1.900 ( 2.128 -9.297 -1.369) 9.635 1.943 ( -1.318 5.439 -0.110) 5.597 1.951 ( -0.754 7.524 -0.370) 7.570 1.985 ( 0.731 -4.501 -0.616) 4.601 2.064 ( 1.796 -2.555 2.505) 4.004 2.084 ( 1.518 -1.486 1.635) 2.681 2.216 ( 1.454 -3.104 3.026) 4.572 2.276 ( 0.413 -0.009 1.329) 1.392 2.467 ( 1.746 -2.576 -1.497) 3.453 2.502 ( 1.429 -1.362 -1.525) 2.494 2.631 ( -2.371 5.651 0.032) 6.128 2.641 ( -3.038 6.520 -0.257) 7.198 2.716 ( 4.689 -11.730 -0.601) 12.646 2.744 ( 5.471 -11.041 -0.000) 12.323 3.012 ( -6.411 -10.057 -0.019) 11.927 3.015 ( -6.234 -9.795 -0.111) 11.611 3.375 ( 5.991 -0.157 -0.103) 5.994 3.400 ( 4.999 -0.633 0.270) 5.046 4.504 ( -1.908 0.615 -0.096) 2.007 4.512 ( -2.201 0.615 0.101) 2.287 4.905 ( -1.062 7.368 0.306) 7.450 4.914 ( -1.071 7.376 -0.091) 7.454 5.239 ( 1.411 -2.973 0.234) 3.299 5.244 ( 1.031 -2.661 -0.033) 2.854 5.299 ( -1.234 0.834 0.130) 1.495 5.307 ( -1.154 0.476 -0.008) 1.248 5.646 ( -1.159 9.649 0.023) 9.719 5.648 ( -1.249 9.671 0.084) 9.752 6.079 ( 1.202 -6.978 0.048) 7.081 6.092 ( 1.188 -7.198 -0.040) 7.295 6.286 ( -0.546 0.116 -0.027) 0.559 6.292 ( -0.906 0.202 -0.009) 0.928 6.372 ( -0.516 3.398 0.321) 3.452 6.381 ( -0.381 3.154 -0.141) 3.180 6.543 ( 0.745 -1.968 0.438) 2.149 6.561 ( 0.850 -3.019 -0.410) 3.163 7.156 ( -0.357 0.110 0.068) 0.380 7.160 ( -0.258 -0.049 -0.056) 0.269 7.426 ( -1.083 3.463 0.808) 3.717 7.457 ( -1.110 2.757 -0.718) 3.058 7.637 ( 0.913 -1.462 0.475) 1.788 7.664 ( 0.773 -1.820 -0.503) 2.041 ======================= Grid point 282 (106/125) ======================= q-point: ( 0.78 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -2.727 4.192 -1.520) 5.227 1.104 ( -2.802 13.696 -1.150) 14.027 1.168 ( -2.880 4.412 1.783) 5.562 1.237 ( -4.993 12.152 1.406) 13.213 1.532 ( 3.210 -5.571 -0.722) 6.470 1.552 ( 0.705 -1.097 0.720) 1.489 1.587 ( 2.498 -6.526 2.100) 7.297 1.634 ( 0.143 -1.712 -0.111) 1.722 1.712 ( 1.191 -0.794 -3.526) 3.805 1.731 ( 0.613 -0.608 -2.047) 2.222 1.772 ( 0.925 -1.687 -0.743) 2.063 1.794 ( -1.783 -3.583 0.252) 4.010 1.871 ( -1.601 -1.121 -0.961) 2.178 1.883 ( 2.262 -5.403 1.179) 5.975 1.937 ( 3.812 0.714 0.344) 3.894 2.007 ( 1.644 0.238 -0.272) 1.683 2.099 ( -1.022 4.716 5.369) 7.219 2.160 ( -0.011 2.276 4.616) 5.147 2.197 ( -2.368 6.531 -1.983) 7.225 2.272 ( -0.197 -0.115 -0.248) 0.337 2.396 ( 2.580 -1.500 -2.762) 4.066 2.442 ( 2.642 -2.687 -0.407) 3.790 2.497 ( 3.679 -9.141 -0.769) 9.883 2.550 ( 5.607 -6.635 0.261) 8.691 2.811 ( -6.001 10.111 -0.124) 11.759 2.812 ( -5.502 9.874 -0.152) 11.305 3.020 ( -6.071 -10.131 -0.031) 11.811 3.026 ( -6.453 -10.269 -0.091) 12.128 3.228 ( 9.842 -0.642 -0.358) 9.869 3.263 ( 9.505 -1.203 0.362) 9.587 4.544 ( -1.780 0.377 -0.118) 1.824 4.555 ( -1.605 0.374 0.127) 1.653 5.005 ( -2.599 5.861 0.252) 6.416 5.011 ( -2.606 5.720 -0.160) 6.288 5.158 ( 2.736 -4.474 0.163) 5.246 5.167 ( 2.863 -4.253 -0.113) 5.128 5.345 ( -1.928 1.152 -0.065) 2.247 5.354 ( -2.100 1.206 0.131) 2.425 5.760 ( -2.115 7.371 -0.047) 7.669 5.766 ( -2.323 7.382 0.078) 7.740 5.972 ( 2.750 -6.811 -0.120) 7.346 5.985 ( 2.907 -6.696 0.158) 7.301 6.301 ( -0.621 0.405 -0.198) 0.768 6.317 ( -1.041 0.505 0.150) 1.167 6.414 ( -1.050 2.011 0.106) 2.271 6.417 ( -1.000 1.889 -0.041) 2.138 6.507 ( 1.371 -1.592 0.064) 2.102 6.514 ( 1.384 -1.985 -0.072) 2.421 7.162 ( -0.337 -0.003 -0.068) 0.344 7.168 ( -0.529 0.033 0.090) 0.538 7.485 ( -1.734 2.638 0.640) 3.221 7.504 ( -2.062 1.428 -0.425) 2.544 7.597 ( 2.145 -1.357 -0.231) 2.548 7.627 ( 1.403 -1.506 -0.034) 2.058 ======================= Grid point 283 (107/125) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -3.618 -0.000 -0.961) 3.744 1.210 ( 1.268 0.000 0.785) 1.491 1.282 ( -9.435 -0.000 -0.781) 9.468 1.415 ( 5.060 -0.000 -0.418) 5.077 1.420 ( 8.028 0.000 0.716) 8.060 1.442 ( -6.632 0.000 0.827) 6.683 1.551 ( -0.067 -0.000 -0.844) 0.846 1.634 ( 0.369 0.000 0.268) 0.456 1.695 ( -1.535 -0.000 -0.812) 1.736 1.709 ( 1.069 -0.000 -1.031) 1.485 1.771 ( -1.321 -0.000 -0.488) 1.408 1.787 ( 5.335 0.000 0.660) 5.375 1.820 ( -3.722 0.000 0.121) 3.724 1.873 ( 0.514 0.000 2.370) 2.425 1.915 ( -1.329 -0.000 -2.757) 3.061 1.988 ( 0.283 -0.000 -0.320) 0.427 2.095 ( 5.026 0.000 0.986) 5.122 2.191 ( -0.712 0.000 2.808) 2.897 2.292 ( -1.065 -0.000 -0.555) 1.201 2.322 ( -5.088 -0.000 -0.386) 5.102 2.343 ( 2.264 0.000 1.566) 2.753 2.391 ( -4.174 -0.000 -2.913) 5.090 2.394 ( 7.640 0.000 1.041) 7.711 2.428 ( 0.037 -0.000 -1.438) 1.439 2.979 ( 0.270 -0.000 -0.009) 0.270 2.980 ( 1.410 -0.000 -0.003) 1.410 3.036 ( 6.746 -0.000 -0.092) 6.747 3.057 ( -7.359 0.000 0.070) 7.360 3.073 ( -7.850 -0.000 -0.239) 7.853 3.076 ( 5.750 -0.000 0.006) 5.750 4.562 ( 0.071 -0.000 -0.032) 0.078 4.566 ( 0.559 0.000 0.039) 0.561 5.052 ( 4.685 -0.000 -0.078) 4.686 5.059 ( 5.020 -0.000 0.036) 5.020 5.124 ( -5.399 0.000 -0.012) 5.399 5.128 ( -5.420 0.000 0.040) 5.420 5.372 ( -0.301 -0.000 -0.083) 0.312 5.385 ( -0.370 0.000 0.119) 0.389 5.851 ( 5.427 -0.000 -0.055) 5.427 5.860 ( 5.890 -0.000 0.082) 5.891 5.872 ( -4.992 -0.000 -0.138) 4.994 5.882 ( -5.209 0.000 0.009) 5.209 6.305 ( 0.496 -0.000 -0.205) 0.537 6.327 ( 0.399 0.000 0.140) 0.423 6.450 ( -1.840 -0.000 -0.096) 1.842 6.458 ( -2.355 0.000 0.030) 2.355 6.468 ( 1.945 -0.000 -0.047) 1.946 6.473 ( 2.066 -0.000 0.029) 2.067 7.168 ( -0.373 -0.000 -0.073) 0.380 7.178 ( -0.451 0.000 0.082) 0.459 7.532 ( 2.837 0.000 0.107) 2.839 7.542 ( -2.392 0.000 0.189) 2.399 7.557 ( -2.130 -0.000 -0.473) 2.182 7.585 ( 2.324 -0.000 0.048) 2.325 ======================= Grid point 284 (108/125) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -3.795 0.000 -0.000) 3.795 1.213 ( 1.380 -0.000 0.000) 1.380 1.279 ( -9.474 0.000 -0.000) 9.474 1.413 ( 5.114 -0.000 0.000) 5.114 1.422 ( 10.323 -0.000 0.000) 10.323 1.446 ( -8.383 0.000 -0.000) 8.383 1.548 ( 0.090 -0.000 0.000) 0.090 1.635 ( 0.516 -0.000 0.000) 0.516 1.691 ( -2.186 0.000 -0.000) 2.186 1.705 ( 0.783 -0.000 0.000) 0.783 1.769 ( -1.134 0.000 -0.000) 1.134 1.790 ( 5.597 -0.000 0.000) 5.597 1.820 ( -3.890 0.000 -0.000) 3.890 1.890 ( -1.772 0.000 -0.000) 1.772 1.897 ( 0.714 -0.000 0.000) 0.714 1.987 ( 0.310 -0.000 0.000) 0.310 2.099 ( 6.108 -0.000 0.000) 6.108 2.204 ( -0.073 0.000 -0.000) 0.073 2.289 ( -0.746 0.000 -0.000) 0.746 2.320 ( -5.674 0.000 -0.000) 5.674 2.354 ( 2.854 -0.000 0.000) 2.854 2.373 ( -5.866 0.000 -0.000) 5.866 2.400 ( 8.251 -0.000 0.000) 8.251 2.421 ( -0.352 0.000 -0.000) 0.352 2.979 ( 0.178 -0.000 0.000) 0.178 2.980 ( 1.415 -0.000 0.000) 1.415 3.036 ( 7.306 -0.000 0.000) 7.306 3.058 ( -8.117 0.000 -0.000) 8.117 3.071 ( -8.339 0.000 -0.000) 8.339 3.076 ( 6.516 -0.000 0.000) 6.516 4.562 ( 0.055 -0.000 0.000) 0.055 4.567 ( 0.575 -0.000 0.000) 0.575 5.052 ( 4.687 -0.000 0.000) 4.687 5.059 ( 5.045 -0.000 0.000) 5.045 5.124 ( -5.401 0.000 -0.000) 5.401 5.128 ( -5.425 0.000 -0.000) 5.425 5.372 ( -0.299 0.000 -0.000) 0.299 5.386 ( -0.372 0.000 -0.000) 0.372 5.851 ( 5.415 -0.000 0.000) 5.415 5.860 ( 5.910 -0.000 0.000) 5.910 5.872 ( -4.968 0.000 -0.000) 4.968 5.882 ( -5.197 0.000 -0.000) 5.197 6.304 ( 0.504 -0.000 0.000) 0.504 6.328 ( 0.400 -0.000 0.000) 0.400 6.449 ( -1.814 0.000 -0.000) 1.814 6.458 ( -2.364 0.000 -0.000) 2.364 6.468 ( 1.949 -0.000 0.000) 1.949 6.473 ( 2.075 -0.000 0.000) 2.075 7.167 ( -0.368 0.000 -0.000) 0.368 7.178 ( -0.452 0.000 -0.000) 0.452 7.532 ( 3.510 -0.000 0.000) 3.510 7.543 ( -2.492 0.000 -0.000) 2.492 7.554 ( -2.770 0.000 -0.000) 2.770 7.585 ( 2.409 -0.000 0.000) 2.409 ======================= Grid point 290 (109/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -0.000 17.791 2.154) 17.921 0.779 ( -0.000 13.478 0.844) 13.505 0.889 ( -0.000 10.376 0.902) 10.415 0.956 ( -0.000 8.510 -3.186) 9.087 1.475 ( -0.000 11.322 -0.573) 11.337 1.508 ( -0.000 10.628 -2.981) 11.038 1.673 ( -0.000 2.860 3.504) 4.523 1.706 ( -0.000 0.959 0.827) 1.266 1.738 ( -0.000 6.172 2.812) 6.782 1.747 ( -0.000 -0.357 1.776) 1.812 1.816 ( 0.000 -0.715 -1.687) 1.832 1.818 ( 0.000 -0.429 0.431) 0.608 1.876 ( -0.000 -3.482 -3.161) 4.703 1.913 ( -0.000 -1.988 -3.126) 3.704 2.057 ( -0.000 -7.087 1.145) 7.179 2.078 ( 0.000 -14.129 -0.249) 14.131 2.129 ( -0.000 -2.989 1.406) 3.303 2.152 ( -0.000 -7.962 -0.446) 7.975 2.281 ( -0.000 -3.607 3.150) 4.789 2.295 ( -0.000 -1.840 2.368) 2.999 2.507 ( -0.000 -2.840 -1.378) 3.156 2.512 ( -0.000 -0.961 -1.976) 2.198 2.547 ( 0.000 5.541 0.085) 5.541 2.549 ( 0.000 5.273 -0.089) 5.274 2.940 ( 0.000 -14.969 0.170) 14.970 2.949 ( 0.000 -13.941 -0.502) 13.951 3.020 ( 0.000 -8.223 0.105) 8.224 3.022 ( 0.000 -8.210 -0.094) 8.211 3.434 ( 0.000 -0.269 0.571) 0.632 3.447 ( 0.000 -0.792 -0.382) 0.880 4.479 ( -0.000 0.857 0.103) 0.863 4.482 ( -0.000 0.779 -0.114) 0.787 4.818 ( -0.000 8.494 0.345) 8.501 4.824 ( -0.000 8.617 -0.046) 8.617 5.237 ( -0.000 2.195 0.128) 2.199 5.239 ( -0.000 1.990 -0.007) 1.990 5.321 ( 0.000 -3.634 0.341) 3.650 5.327 ( 0.000 -3.375 -0.109) 3.377 5.531 ( 0.000 10.822 0.115) 10.822 5.533 ( 0.000 10.616 -0.060) 10.616 6.149 ( 0.000 -4.512 0.425) 4.532 6.161 ( 0.000 -4.870 -0.497) 4.895 6.291 ( 0.000 -1.956 0.036) 1.956 6.292 ( 0.000 -1.855 -0.091) 1.857 6.331 ( -0.000 4.078 0.431) 4.101 6.340 ( -0.000 4.010 -0.274) 4.020 6.574 ( 0.000 -2.248 0.941) 2.437 6.598 ( 0.000 -3.264 -0.844) 3.371 7.151 ( -0.000 0.173 0.254) 0.308 7.158 ( -0.000 -0.038 -0.259) 0.261 7.382 ( -0.000 3.991 0.986) 4.111 7.410 ( -0.000 3.858 -1.016) 3.989 7.664 ( 0.000 -1.674 0.834) 1.871 7.686 ( 0.000 -1.682 -0.762) 1.847 ======================= Grid point 291 (110/125) ======================= q-point: ( 0.78 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.678 16.654 1.137) 16.707 0.951 ( 1.761 9.091 -1.724) 9.420 0.997 ( -4.140 16.355 2.086) 16.999 1.070 ( -3.195 7.880 -1.055) 8.568 1.545 ( -0.021 1.911 -0.759) 2.056 1.578 ( -1.928 3.070 -0.576) 3.671 1.656 ( 3.277 -4.345 0.521) 5.467 1.697 ( 1.152 0.738 0.494) 1.454 1.718 ( 0.592 -1.548 -1.017) 1.945 1.777 ( -1.319 -5.417 -1.090) 5.681 1.813 ( -0.268 -3.941 1.021) 4.079 1.835 ( -0.468 -1.933 2.604) 3.277 1.885 ( 2.837 -10.077 -2.074) 10.672 1.941 ( -0.476 9.826 -0.319) 9.843 1.949 ( -1.443 11.249 -0.118) 11.341 1.982 ( -0.717 -9.662 -0.181) 9.690 2.081 ( 1.749 -1.081 1.422) 2.500 2.094 ( 1.602 -0.839 0.842) 1.995 2.241 ( 2.149 -2.313 2.706) 4.158 2.286 ( 0.562 -1.045 0.837) 1.452 2.453 ( 2.316 -1.980 -1.585) 3.435 2.491 ( 0.717 -1.923 -0.906) 2.244 2.632 ( -2.684 6.106 0.137) 6.671 2.639 ( -2.585 6.090 -0.277) 6.622 2.712 ( 4.899 -11.879 -0.383) 12.855 2.744 ( 5.149 -11.216 -0.009) 12.341 3.012 ( -6.563 -10.143 -0.008) 12.081 3.014 ( -6.084 -9.744 -0.076) 11.487 3.375 ( 6.149 -0.250 -0.054) 6.154 3.402 ( 4.893 -0.531 0.163) 4.925 4.503 ( -1.869 0.594 -0.054) 1.962 4.512 ( -2.243 0.640 0.057) 2.333 4.908 ( -1.046 7.363 0.314) 7.444 4.912 ( -1.061 7.336 -0.175) 7.414 5.240 ( 1.350 -2.947 0.221) 3.249 5.244 ( 1.134 -2.645 -0.090) 2.879 5.300 ( -1.123 0.716 0.092) 1.335 5.307 ( -1.221 0.583 -0.012) 1.353 5.646 ( -1.143 9.641 0.018) 9.708 5.648 ( -1.256 9.698 0.052) 9.779 6.080 ( 1.331 -7.035 0.034) 7.160 6.092 ( 1.050 -7.104 -0.029) 7.181 6.286 ( -0.501 0.052 -0.017) 0.504 6.292 ( -0.954 0.261 -0.006) 0.989 6.375 ( -0.465 3.357 0.342) 3.406 6.380 ( -0.393 3.231 -0.225) 3.262 6.547 ( 0.807 -2.252 0.487) 2.441 6.557 ( 0.790 -2.768 -0.469) 2.917 7.156 ( -0.265 0.056 0.054) 0.276 7.160 ( -0.358 0.007 -0.047) 0.361 7.434 ( -1.063 3.354 0.962) 3.647 7.450 ( -1.109 2.989 -0.905) 3.314 7.642 ( 1.102 -1.647 0.462) 2.035 7.660 ( 0.606 -1.727 -0.479) 1.892 ======================= Grid point 292 (111/125) ======================= q-point: ( 0.89 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -2.584 3.754 -0.541) 4.589 1.098 ( -2.749 13.932 -0.367) 14.206 1.178 ( -2.513 4.202 0.643) 4.938 1.245 ( -5.495 12.665 0.476) 13.813 1.526 ( 2.520 -3.999 -0.519) 4.755 1.560 ( 1.140 -2.401 0.598) 2.725 1.604 ( 3.585 -7.487 1.401) 8.419 1.632 ( 0.026 -1.332 -0.145) 1.340 1.688 ( 0.612 -1.014 -1.856) 2.201 1.718 ( 0.623 -0.245 -0.912) 1.131 1.768 ( 0.788 -1.533 -0.140) 1.729 1.796 ( -1.852 -3.886 0.136) 4.307 1.865 ( -1.614 -1.194 -0.379) 2.043 1.890 ( 2.194 -5.609 0.407) 6.036 1.939 ( 3.988 0.602 0.112) 4.035 2.006 ( 1.819 0.424 -0.090) 1.870 2.141 ( -1.628 6.151 4.366) 7.717 2.176 ( -2.604 7.394 -2.942) 8.374 2.191 ( 2.009 2.028 2.113) 3.551 2.269 ( -0.630 -1.288 -0.294) 1.464 2.377 ( 2.801 -1.960 -1.456) 3.716 2.441 ( 2.283 -2.646 -0.046) 3.495 2.492 ( 3.915 -9.007 -0.323) 9.827 2.552 ( 5.432 -6.798 0.078) 8.702 2.810 ( -6.083 10.236 -0.055) 11.908 2.812 ( -5.460 9.786 -0.053) 11.206 3.020 ( -6.104 -10.222 -0.016) 11.906 3.025 ( -6.459 -10.229 -0.031) 12.098 3.226 ( 9.872 -0.675 -0.128) 9.896 3.265 ( 9.549 -1.153 0.129) 9.619 4.543 ( -1.793 0.370 -0.041) 1.831 4.555 ( -1.593 0.380 0.044) 1.638 5.007 ( -2.577 5.829 0.252) 6.378 5.009 ( -2.601 5.747 -0.216) 6.312 5.159 ( 2.675 -4.667 0.081) 5.380 5.166 ( 2.968 -4.060 -0.061) 5.030 5.345 ( -1.907 1.135 -0.022) 2.219 5.355 ( -2.107 1.232 0.048) 2.441 5.760 ( -2.082 7.366 -0.016) 7.654 5.766 ( -2.319 7.377 0.028) 7.733 5.972 ( 2.753 -6.824 -0.041) 7.358 5.986 ( 2.912 -6.673 0.056) 7.281 6.300 ( -0.590 0.377 -0.070) 0.703 6.318 ( -1.067 0.525 0.051) 1.190 6.415 ( -0.955 1.907 0.056) 2.133 6.417 ( -1.038 2.008 -0.030) 2.260 6.507 ( 1.396 -1.749 0.028) 2.238 6.514 ( 1.358 -1.843 -0.031) 2.289 7.161 ( -0.324 -0.005 -0.023) 0.325 7.169 ( -0.543 0.035 0.032) 0.545 7.490 ( -1.689 2.347 0.455) 2.927 7.500 ( -2.079 1.907 -0.371) 2.845 7.596 ( 2.229 -1.659 -0.087) 2.780 7.627 ( 1.338 -1.390 -0.017) 1.929 ======================= Grid point 300 (112/125) ======================= q-point: ( 0.78 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.000 16.598 1.874) 16.703 0.779 ( -0.000 15.129 -0.785) 15.149 0.904 ( -0.000 9.541 2.502) 9.864 0.929 ( -0.000 8.925 -3.312) 9.520 1.475 ( -0.000 10.755 0.783) 10.784 1.487 ( -0.000 10.549 -2.010) 10.739 1.695 ( -0.000 1.392 1.710) 2.205 1.704 ( 0.000 0.033 -0.765) 0.766 1.768 ( -0.000 4.143 3.615) 5.498 1.769 ( -0.000 -1.153 3.385) 3.576 1.798 ( 0.000 4.671 -2.607) 5.349 1.803 ( 0.000 3.164 -3.446) 4.678 1.870 ( -0.000 -4.603 1.345) 4.795 1.888 ( -0.000 -3.333 -2.692) 4.285 2.065 ( -0.000 -9.739 0.995) 9.790 2.073 ( -0.000 -12.303 -0.849) 12.332 2.139 ( -0.000 -4.111 1.110) 4.258 2.147 ( -0.000 -5.920 -0.730) 5.965 2.303 ( -0.000 -3.052 1.889) 3.589 2.309 ( 0.000 -2.457 0.573) 2.523 2.498 ( 0.000 -2.316 -0.630) 2.400 2.499 ( -0.000 -1.702 -0.949) 1.949 2.548 ( -0.000 5.520 0.100) 5.521 2.549 ( 0.000 5.455 -0.103) 5.456 2.942 ( 0.000 -14.720 0.286) 14.723 2.945 ( 0.000 -14.368 -0.416) 14.374 3.020 ( 0.000 -8.213 0.122) 8.214 3.021 ( 0.000 -8.208 -0.119) 8.209 3.439 ( -0.000 -0.435 0.583) 0.727 3.444 ( -0.000 -0.617 -0.508) 0.799 4.480 ( -0.000 0.835 0.121) 0.844 4.481 ( -0.000 0.808 -0.125) 0.818 4.821 ( 0.000 8.507 0.289) 8.512 4.823 ( 0.000 8.548 -0.172) 8.549 5.238 ( 0.000 2.135 0.101) 2.137 5.239 ( 0.000 2.064 -0.053) 2.064 5.323 ( 0.000 -3.544 0.300) 3.557 5.326 ( 0.000 -3.454 -0.209) 3.461 5.532 ( 0.000 10.768 0.108) 10.768 5.532 ( 0.000 10.696 -0.086) 10.697 6.153 ( -0.000 -4.610 0.511) 4.639 6.157 ( -0.000 -4.734 -0.540) 4.765 6.291 ( -0.000 -1.909 0.058) 1.910 6.292 ( -0.000 -1.872 -0.078) 1.874 6.334 ( 0.000 4.066 0.427) 4.088 6.338 ( 0.000 4.044 -0.366) 4.061 6.582 ( -0.000 -2.611 1.025) 2.805 6.590 ( -0.000 -2.961 -0.987) 3.122 7.153 ( 0.000 0.105 0.290) 0.309 7.156 ( 0.000 0.032 -0.292) 0.294 7.391 ( -0.000 3.981 1.130) 4.139 7.401 ( -0.000 3.937 -1.142) 4.099 7.671 ( 0.000 -1.687 0.923) 1.923 7.679 ( 0.000 -1.689 -0.894) 1.911 ======================= Grid point 301 (113/125) ======================= q-point: ( 0.89 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.939 18.473 -0.000) 18.497 0.942 ( 1.855 7.239 -0.000) 7.473 1.007 ( -4.136 16.777 -0.000) 17.279 1.065 ( -3.513 7.512 -0.000) 8.293 1.541 ( 0.118 2.016 -0.000) 2.020 1.575 ( -2.218 3.526 -0.000) 4.166 1.659 ( 3.132 -4.402 0.000) 5.402 1.699 ( 1.243 1.465 -0.000) 1.922 1.713 ( 0.926 -2.284 0.000) 2.465 1.772 ( -1.422 -6.689 0.000) 6.839 1.817 ( -0.412 -4.435 0.000) 4.454 1.852 ( -1.383 -0.666 0.000) 1.535 1.871 ( 4.055 -11.306 0.000) 12.011 1.939 ( 0.165 11.224 -0.000) 11.225 1.949 ( -1.708 12.398 -0.000) 12.515 1.981 ( -1.292 -11.421 0.000) 11.494 2.087 ( 1.673 -0.559 0.000) 1.764 2.098 ( 1.616 -0.610 0.000) 1.727 2.254 ( 2.574 -1.651 0.000) 3.058 2.289 ( 0.500 -1.719 0.000) 1.790 2.445 ( 2.507 -1.896 0.000) 3.143 2.487 ( 0.452 -2.021 0.000) 2.071 2.633 ( -3.038 6.571 -0.000) 7.240 2.637 ( -2.171 5.625 -0.000) 6.029 2.710 ( 4.953 -11.948 0.000) 12.934 2.744 ( 5.043 -11.274 0.000) 12.351 3.012 ( -6.650 -10.192 0.000) 12.170 3.014 ( -5.997 -9.709 0.000) 11.411 3.374 ( 6.206 -0.281 0.000) 6.213 3.403 ( 4.856 -0.495 0.000) 4.881 4.503 ( -1.855 0.587 -0.000) 1.946 4.513 ( -2.258 0.648 -0.000) 2.349 4.910 ( -1.005 7.457 -0.000) 7.525 4.911 ( -1.093 7.224 -0.000) 7.306 5.242 ( 1.292 -3.062 0.000) 3.323 5.243 ( 1.210 -2.514 0.000) 2.790 5.300 ( -1.071 0.659 -0.000) 1.257 5.307 ( -1.256 0.635 -0.000) 1.407 5.646 ( -1.138 9.639 -0.000) 9.706 5.649 ( -1.258 9.706 -0.000) 9.788 6.080 ( 1.386 -7.060 0.000) 7.195 6.091 ( 0.991 -7.064 0.000) 7.134 6.286 ( -0.484 0.027 -0.000) 0.485 6.292 ( -0.972 0.284 -0.000) 1.013 6.378 ( -0.430 3.238 -0.000) 3.267 6.378 ( -0.413 3.363 -0.000) 3.388 6.550 ( 0.906 -2.516 0.000) 2.674 6.554 ( 0.693 -2.517 0.000) 2.611 7.156 ( -0.211 0.026 -0.000) 0.213 7.160 ( -0.415 0.037 -0.000) 0.416 7.440 ( -0.962 3.200 -0.000) 3.341 7.444 ( -1.201 3.190 -0.000) 3.409 7.644 ( 1.268 -1.763 0.000) 2.172 7.658 ( 0.449 -1.646 0.000) 1.707 ======================= Grid point 328 (114/125) ======================= q-point: ( 0.44 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -1.434 -0.000 2.707) 3.064 1.164 ( -0.500 0.000 -2.640) 2.687 1.332 ( -8.216 -0.000 3.077) 8.774 1.359 ( -7.030 -0.000 -3.341) 7.783 1.428 ( 4.163 -0.000 0.341) 4.177 1.431 ( 3.869 0.000 -0.194) 3.874 1.594 ( -0.521 -0.000 2.183) 2.244 1.611 ( -0.302 -0.000 -1.828) 1.853 1.725 ( 3.052 -0.000 1.456) 3.381 1.736 ( 4.109 -0.000 -0.882) 4.203 1.779 ( 1.825 -0.000 1.638) 2.452 1.790 ( -0.642 0.000 -0.345) 0.729 1.811 ( -2.238 -0.000 -0.421) 2.277 1.813 ( 0.778 0.000 -1.350) 1.558 1.992 ( -0.323 -0.000 2.128) 2.153 2.000 ( 0.396 -0.000 -0.015) 0.397 2.070 ( -3.151 -0.000 0.820) 3.256 2.089 ( -3.971 0.000 -3.568) 5.339 2.307 ( -2.390 0.000 0.858) 2.540 2.315 ( -2.676 -0.000 -0.923) 2.830 2.350 ( 7.152 -0.000 1.425) 7.293 2.362 ( 7.499 -0.000 -1.424) 7.633 2.450 ( -2.801 0.000 1.205) 3.049 2.456 ( -2.090 -0.000 -0.087) 2.092 2.980 ( 1.130 -0.952 0.003) 1.477 2.980 ( 1.135 0.952 0.002) 1.482 3.045 ( 2.274 -0.000 0.547) 2.339 3.049 ( 0.385 0.000 -0.559) 0.678 3.078 ( -2.036 -0.000 0.113) 2.039 3.078 ( -3.868 0.000 0.041) 3.868 4.563 ( 0.270 -0.000 0.099) 0.288 4.564 ( 0.360 -0.000 -0.103) 0.375 5.056 ( 4.725 0.000 0.172) 4.728 5.057 ( 4.785 -0.000 -0.149) 4.787 5.125 ( -5.379 0.000 0.063) 5.380 5.126 ( -5.380 -0.000 -0.079) 5.381 5.377 ( -0.330 -0.000 0.278) 0.431 5.379 ( -0.343 -0.000 -0.297) 0.454 5.854 ( 5.591 -0.000 0.190) 5.594 5.856 ( 5.676 -0.000 -0.204) 5.680 5.878 ( -5.221 0.000 0.244) 5.227 5.880 ( -5.262 0.000 -0.176) 5.265 6.315 ( 0.429 -0.000 0.514) 0.669 6.319 ( 0.412 -0.000 -0.479) 0.632 6.454 ( -2.108 0.000 0.201) 2.118 6.456 ( -2.200 0.000 -0.167) 2.206 6.470 ( 1.946 0.000 0.115) 1.949 6.471 ( 1.973 -0.000 -0.104) 1.975 7.172 ( -0.416 -0.000 0.220) 0.471 7.173 ( -0.431 -0.000 -0.225) 0.486 7.532 ( -0.442 -0.000 0.222) 0.494 7.534 ( -1.149 0.000 -0.324) 1.194 7.574 ( 0.769 -0.000 0.678) 1.025 7.579 ( 1.333 0.000 -0.507) 1.426 ======================= Grid point 339 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -3.338 7.506 -0.000) 8.215 1.115 ( -3.908 3.386 -0.000) 5.171 1.150 ( -3.251 13.930 -0.000) 14.304 1.188 ( -3.070 9.267 -0.000) 9.762 1.512 ( 2.826 -4.724 0.000) 5.505 1.556 ( 1.652 -7.306 0.000) 7.490 1.602 ( 0.501 -1.413 0.000) 1.499 1.609 ( 0.730 -1.726 0.000) 1.874 1.755 ( -0.243 0.537 -0.000) 0.589 1.781 ( -0.526 -1.448 0.000) 1.540 1.793 ( 1.809 -2.886 0.000) 3.406 1.837 ( 3.295 -4.298 0.000) 5.416 1.840 ( 0.605 0.640 -0.000) 0.881 1.864 ( 1.460 -5.048 0.000) 5.255 1.944 ( -1.011 6.501 -0.000) 6.579 2.006 ( 0.363 -0.710 0.000) 0.797 2.019 ( 0.600 -0.691 0.000) 0.915 2.063 ( -1.714 -0.353 0.000) 1.750 2.219 ( -3.154 7.291 -0.000) 7.944 2.274 ( -0.121 1.529 -0.000) 1.534 2.421 ( 1.198 -2.983 0.000) 3.215 2.473 ( 3.322 0.209 0.000) 3.329 2.513 ( 3.375 -9.997 0.000) 10.551 2.540 ( 6.511 -6.486 0.000) 9.190 2.813 ( -5.815 9.835 -0.000) 11.425 2.816 ( -5.547 10.013 -0.000) 11.446 3.021 ( -5.951 -9.860 0.000) 11.517 3.028 ( -6.452 -10.366 0.000) 12.210 3.239 ( 9.940 -0.136 0.000) 9.941 3.253 ( 9.162 -1.762 0.000) 9.330 4.548 ( -1.697 0.490 -0.000) 1.766 4.551 ( -1.685 0.266 -0.000) 1.706 5.002 ( -2.647 5.929 -0.000) 6.493 5.013 ( -2.649 5.670 -0.000) 6.258 5.155 ( 2.794 -4.153 0.000) 5.006 5.168 ( 2.655 -4.571 0.000) 5.286 5.347 ( -2.053 1.336 -0.000) 2.449 5.351 ( -2.026 0.992 -0.000) 2.256 5.762 ( -2.326 7.355 -0.000) 7.715 5.763 ( -2.244 7.434 -0.000) 7.765 5.976 ( 2.674 -6.656 0.000) 7.173 5.980 ( 2.956 -6.887 0.000) 7.495 6.307 ( -0.804 0.692 -0.000) 1.061 6.312 ( -0.881 0.244 -0.000) 0.914 6.412 ( -1.245 2.152 -0.000) 2.487 6.418 ( -1.001 1.699 -0.000) 1.972 6.506 ( 1.315 -1.212 0.000) 1.788 6.516 ( 1.443 -2.318 0.000) 2.731 7.165 ( -0.447 0.016 0.000) 0.447 7.165 ( -0.417 0.016 0.000) 0.417 7.476 ( -1.766 2.989 -0.000) 3.472 7.509 ( -2.114 0.488 -0.000) 2.169 7.602 ( 1.804 -0.272 0.000) 1.824 7.627 ( 1.665 -2.011 0.000) 2.611 ======================= Grid point 349 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 9.165 -0.000) 9.165 1.046 ( 0.000 7.068 -0.000) 7.068 1.136 ( 0.000 13.827 -0.000) 13.827 1.164 ( 0.000 11.123 -0.000) 11.123 1.549 ( -0.000 -3.025 0.000) 3.025 1.580 ( -0.000 -3.831 0.000) 3.831 1.631 ( -0.000 -8.317 0.000) 8.317 1.659 ( -0.000 -8.805 0.000) 8.805 1.735 ( 0.000 1.289 -0.000) 1.289 1.751 ( -0.000 -0.584 0.000) 0.584 1.804 ( -0.000 -4.427 0.000) 4.427 1.806 ( 0.000 7.767 -0.000) 7.767 1.857 ( -0.000 -7.773 0.000) 7.773 1.875 ( 0.000 0.489 -0.000) 0.489 2.005 ( -0.000 -1.592 0.000) 1.592 2.006 ( -0.000 -1.424 0.000) 1.424 2.042 ( 0.000 3.852 -0.000) 3.852 2.116 ( 0.000 9.601 -0.000) 9.601 2.161 ( 0.000 2.093 -0.000) 2.093 2.281 ( 0.000 2.220 -0.000) 2.220 2.452 ( -0.000 -3.313 0.000) 3.313 2.548 ( -0.000 -3.944 0.000) 3.944 2.622 ( -0.000 -10.083 0.000) 10.083 2.670 ( 0.000 6.287 -0.000) 6.287 2.673 ( 0.000 6.289 -0.000) 6.289 2.710 ( -0.000 -10.228 0.000) 10.228 2.857 ( -0.000 -7.165 0.000) 7.165 2.861 ( -0.000 -7.305 0.000) 7.305 3.431 ( 0.000 0.372 -0.000) 0.372 3.439 ( -0.000 -0.441 0.000) 0.441 4.491 ( 0.000 0.411 -0.000) 0.411 4.493 ( 0.000 0.200 -0.000) 0.200 4.957 ( 0.000 5.089 -0.000) 5.089 4.967 ( 0.000 4.488 -0.000) 4.488 5.224 ( -0.000 -2.311 0.000) 2.311 5.229 ( -0.000 -2.379 0.000) 2.379 5.290 ( 0.000 0.750 -0.000) 0.750 5.296 ( 0.000 0.042 -0.000) 0.042 5.727 ( 0.000 7.699 -0.000) 7.699 5.729 ( 0.000 7.819 -0.000) 7.819 6.020 ( -0.000 -5.940 0.000) 5.940 6.031 ( -0.000 -6.743 0.000) 6.743 6.281 ( 0.000 0.216 -0.000) 0.216 6.284 ( -0.000 -0.026 0.000) 0.026 6.396 ( 0.000 2.714 -0.000) 2.714 6.406 ( 0.000 1.892 -0.000) 1.892 6.529 ( -0.000 -1.108 0.000) 1.108 6.543 ( -0.000 -2.565 0.000) 2.565 7.153 ( 0.000 0.265 -0.000) 0.265 7.158 ( -0.000 -0.217 0.000) 0.217 7.440 ( 0.000 2.886 -0.000) 2.886 7.469 ( 0.000 0.412 -0.000) 0.412 7.634 ( 0.000 0.184 -0.000) 0.184 7.659 ( -0.000 -1.886 0.000) 1.886 ======================= Grid point 350 (117/125) ======================= q-point: ( 0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.812 -0.000 -2.452) 2.583 1.084 ( -1.810 0.000 2.707) 3.256 1.221 ( 0.862 -0.000 -1.832) 2.024 1.236 ( 0.052 0.000 1.811) 1.812 1.513 ( 0.859 0.000 0.036) 0.860 1.517 ( 0.779 0.000 0.966) 1.241 1.597 ( 0.605 -0.000 -1.735) 1.838 1.609 ( 0.047 0.000 1.065) 1.066 1.752 ( -0.722 -0.000 -0.399) 0.825 1.753 ( -0.667 0.000 -0.005) 0.667 1.793 ( 0.233 -0.000 -2.322) 2.333 1.812 ( -0.638 0.000 2.015) 2.113 1.848 ( 0.525 -0.000 -3.894) 3.929 1.869 ( -0.724 0.000 0.593) 0.937 1.988 ( 1.443 0.000 0.164) 1.452 2.008 ( -0.113 0.000 4.430) 4.431 2.064 ( 2.799 0.000 0.216) 2.808 2.067 ( 2.374 0.000 1.055) 2.598 2.268 ( 0.067 -0.000 -0.175) 0.187 2.268 ( 0.022 -0.000 -0.124) 0.126 2.439 ( 1.123 -0.000 -0.817) 1.389 2.447 ( 0.824 0.000 1.087) 1.364 2.576 ( 4.570 -0.000 -2.079) 5.021 2.588 ( 4.050 0.000 0.927) 4.154 2.782 ( -6.701 0.000 -0.036) 6.701 2.782 ( -6.699 0.000 -0.036) 6.700 2.845 ( -3.488 -0.000 -0.397) 3.511 2.848 ( -3.423 0.000 0.313) 3.437 3.381 ( 5.838 -0.000 -0.518) 5.861 3.386 ( 5.634 0.000 0.581) 5.664 4.513 ( -2.053 -0.000 -0.214) 2.064 4.515 ( -2.125 0.000 0.218) 2.136 4.999 ( -1.409 -0.000 -0.066) 1.411 5.000 ( -1.437 0.000 0.120) 1.442 5.190 ( 2.478 -0.000 -0.166) 2.483 5.191 ( 2.411 0.000 0.249) 2.424 5.314 ( -1.997 -0.000 -0.106) 2.000 5.315 ( -2.052 0.000 0.150) 2.057 5.780 ( -0.879 0.000 0.004) 0.879 5.780 ( -0.901 0.000 0.050) 0.902 5.975 ( 1.456 -0.000 -0.279) 1.483 5.977 ( 1.370 0.000 0.293) 1.401 6.292 ( -0.974 -0.000 -0.192) 0.993 6.294 ( -1.073 0.000 0.176) 1.087 6.416 ( -0.244 0.000 0.013) 0.245 6.416 ( -0.256 0.000 0.075) 0.266 6.519 ( 0.746 -0.000 -0.099) 0.752 6.520 ( 0.711 0.000 0.087) 0.716 7.158 ( -0.269 -0.000 -0.070) 0.278 7.159 ( -0.308 0.000 0.075) 0.317 7.473 ( -1.125 0.000 0.035) 1.126 7.473 ( -1.148 0.000 0.119) 1.154 7.632 ( 1.037 -0.000 -0.369) 1.100 7.635 ( 0.881 0.000 0.250) 0.916 ======================= Grid point 360 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.000 8.832 1.015) 8.890 1.047 ( -0.000 6.850 0.406) 6.862 1.135 ( 0.000 14.002 -0.286) 14.005 1.161 ( -0.000 11.475 -0.623) 11.492 1.552 ( 0.000 -2.604 0.502) 2.652 1.581 ( 0.000 -3.156 0.123) 3.159 1.630 ( 0.000 -8.661 -0.310) 8.667 1.654 ( 0.000 -8.551 -1.098) 8.621 1.733 ( 0.000 1.346 -0.492) 1.432 1.752 ( 0.000 -1.074 -0.025) 1.074 1.800 ( 0.000 -3.313 -0.960) 3.449 1.806 ( 0.000 5.685 0.099) 5.685 1.856 ( 0.000 -7.725 -0.331) 7.732 1.864 ( 0.000 -1.102 -2.099) 2.370 2.014 ( 0.000 1.727 1.848) 2.529 2.027 ( 0.000 -0.899 4.399) 4.490 2.047 ( 0.000 2.104 1.293) 2.470 2.116 ( 0.000 11.413 0.007) 11.413 2.165 ( -0.000 0.436 0.933) 1.030 2.282 ( 0.000 1.976 0.353) 2.008 2.453 ( -0.000 -3.103 0.191) 3.109 2.543 ( -0.000 -3.127 -1.229) 3.360 2.622 ( -0.000 -10.798 -0.106) 10.799 2.670 ( -0.000 6.270 0.023) 6.270 2.673 ( -0.000 6.226 0.052) 6.226 2.705 ( -0.000 -10.412 -1.149) 10.475 2.857 ( -0.000 -7.162 0.053) 7.162 2.861 ( -0.000 -7.294 0.009) 7.294 3.431 ( -0.000 0.349 0.136) 0.375 3.439 ( -0.000 -0.415 0.022) 0.416 4.491 ( 0.000 0.406 0.018) 0.406 4.493 ( 0.000 0.207 -0.013) 0.208 4.958 ( 0.000 5.065 0.129) 5.067 4.967 ( 0.000 4.499 -0.007) 4.499 5.225 ( 0.000 -2.308 0.149) 2.313 5.230 ( 0.000 -2.370 0.068) 2.371 5.290 ( 0.000 0.727 0.087) 0.733 5.296 ( 0.000 0.059 0.005) 0.060 5.727 ( -0.000 7.710 0.069) 7.710 5.729 ( -0.000 7.822 0.039) 7.822 6.020 ( -0.000 -5.962 0.090) 5.963 6.031 ( -0.000 -6.717 -0.070) 6.718 6.281 ( 0.000 0.208 0.008) 0.208 6.284 ( 0.000 -0.018 -0.034) 0.039 6.397 ( -0.000 2.696 0.162) 2.700 6.406 ( -0.000 1.924 0.022) 1.924 6.530 ( -0.000 -1.158 0.092) 1.162 6.542 ( -0.000 -2.525 -0.101) 2.527 7.153 ( 0.000 0.251 0.036) 0.254 7.158 ( 0.000 -0.202 -0.034) 0.205 7.441 ( -0.000 2.841 0.309) 2.858 7.469 ( -0.000 0.516 -0.090) 0.524 7.634 ( -0.000 0.095 0.112) 0.147 7.658 ( -0.000 -1.850 -0.227) 1.864 ======================= Grid point 361 (119/125) ======================= q-point: ( 0.67 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.233 -0.000 -1.992) 2.006 1.106 ( -2.638 0.000 2.636) 3.729 1.207 ( 1.495 -0.000 -1.469) 2.095 1.250 ( -0.795 0.000 1.436) 1.642 1.517 ( 0.955 0.000 0.790) 1.240 1.529 ( 0.598 0.000 1.866) 1.960 1.581 ( 0.985 -0.000 -1.930) 2.167 1.614 ( -0.553 0.000 0.269) 0.615 1.744 ( -0.837 -0.000 -1.518) 1.734 1.751 ( -0.787 -0.000 -0.449) 0.906 1.776 ( 1.197 -0.000 -1.574) 1.977 1.811 ( 0.917 -0.000 -3.731) 3.842 1.829 ( -1.057 0.000 1.277) 1.657 1.860 ( -1.601 -0.000 -2.002) 2.564 2.004 ( 3.323 0.000 2.714) 4.290 2.046 ( 0.561 0.000 3.335) 3.382 2.075 ( 1.986 0.000 3.496) 4.021 2.085 ( 1.521 0.000 3.471) 3.790 2.265 ( 0.065 0.000 -0.540) 0.544 2.265 ( 0.067 -0.000 -0.536) 0.541 2.434 ( 1.585 -0.000 -0.503) 1.663 2.457 ( 0.684 0.000 1.296) 1.466 2.554 ( 4.936 -0.000 -3.083) 5.820 2.591 ( 3.397 -0.000 -0.140) 3.399 2.781 ( -6.583 0.000 -0.113) 6.584 2.782 ( -6.767 0.000 -0.069) 6.768 2.842 ( -3.505 -0.000 -0.409) 3.529 2.850 ( -3.331 0.000 0.202) 3.337 3.377 ( 6.047 -0.000 -0.401) 6.061 3.391 ( 5.461 0.000 0.561) 5.490 4.511 ( -1.985 -0.000 -0.186) 1.994 4.517 ( -2.192 0.000 0.194) 2.201 4.999 ( -1.380 0.000 -0.015) 1.380 5.001 ( -1.461 0.000 0.152) 1.469 5.189 ( 2.570 -0.000 -0.077) 2.571 5.194 ( 2.379 0.000 0.287) 2.396 5.313 ( -1.942 -0.000 -0.058) 1.942 5.317 ( -2.099 0.000 0.170) 2.105 5.780 ( -0.844 0.000 0.048) 0.846 5.781 ( -0.907 0.000 0.089) 0.912 5.972 ( 1.533 -0.000 -0.234) 1.551 5.979 ( 1.286 0.000 0.270) 1.314 6.290 ( -0.880 -0.000 -0.180) 0.898 6.295 ( -1.163 0.000 0.142) 1.172 6.416 ( -0.216 0.000 0.084) 0.232 6.417 ( -0.249 0.000 0.140) 0.286 6.518 ( 0.777 -0.000 -0.097) 0.783 6.520 ( 0.678 0.000 0.066) 0.681 7.157 ( -0.235 -0.000 -0.057) 0.242 7.159 ( -0.348 0.000 0.070) 0.355 7.474 ( -1.099 0.000 0.155) 1.110 7.475 ( -1.167 0.000 0.240) 1.192 7.629 ( 1.201 -0.000 -0.431) 1.276 7.636 ( 0.749 0.000 0.126) 0.759 ======================= Grid point 371 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -0.000 7.832 1.753) 8.026 1.052 ( -0.000 6.188 0.621) 6.219 1.132 ( 0.000 14.552 -0.456) 14.559 1.154 ( -0.000 12.526 -1.148) 12.579 1.557 ( 0.000 -1.411 0.764) 1.605 1.581 ( 0.000 -1.446 -0.169) 1.456 1.628 ( 0.000 -9.586 0.032) 9.586 1.644 ( -0.000 -8.603 -1.147) 8.679 1.727 ( 0.000 1.270 -0.937) 1.578 1.747 ( 0.000 -1.935 -1.246) 2.301 1.792 ( 0.000 -1.262 -0.520) 1.365 1.807 ( 0.000 1.918 0.049) 1.919 1.849 ( 0.000 -3.741 -1.370) 3.983 1.852 ( 0.000 -7.535 -0.597) 7.558 2.032 ( -0.000 8.081 2.290) 8.399 2.063 ( -0.000 -0.956 2.616) 2.785 2.064 ( 0.000 -1.141 3.686) 3.858 2.117 ( -0.000 15.990 0.272) 15.992 2.179 ( -0.000 -3.156 2.762) 4.193 2.286 ( -0.000 1.212 0.439) 1.289 2.455 ( 0.000 -2.457 0.357) 2.483 2.528 ( -0.000 -1.405 -2.388) 2.770 2.622 ( -0.000 -12.234 0.168) 12.236 2.670 ( -0.000 6.039 -0.013) 6.039 2.674 ( 0.000 6.083 0.040) 6.083 2.691 ( -0.000 -10.777 -1.972) 10.956 2.858 ( -0.000 -7.155 0.097) 7.156 2.861 ( -0.000 -7.264 -0.012) 7.265 3.433 ( -0.000 0.282 0.229) 0.364 3.439 ( -0.000 -0.342 0.014) 0.343 4.491 ( 0.000 0.389 0.033) 0.390 4.493 ( 0.000 0.227 -0.026) 0.229 4.959 ( 0.000 4.999 0.222) 5.004 4.967 ( 0.000 4.535 -0.036) 4.535 5.226 ( 0.000 -2.300 0.241) 2.313 5.230 ( 0.000 -2.346 0.092) 2.348 5.291 ( 0.000 0.661 0.149) 0.677 5.296 ( 0.000 0.112 -0.008) 0.112 5.728 ( -0.000 7.739 0.112) 7.739 5.730 ( -0.000 7.829 0.053) 7.829 6.021 ( -0.000 -6.027 0.168) 6.030 6.030 ( -0.000 -6.643 -0.136) 6.645 6.281 ( 0.000 0.187 0.019) 0.188 6.283 ( 0.000 0.004 -0.058) 0.058 6.399 ( -0.000 2.641 0.271) 2.655 6.406 ( -0.000 2.013 0.009) 2.013 6.531 ( 0.000 -1.299 0.174) 1.311 6.541 ( 0.000 -2.412 -0.186) 2.419 7.154 ( 0.000 0.210 0.068) 0.221 7.157 ( 0.000 -0.159 -0.065) 0.172 7.445 ( 0.000 2.704 0.555) 2.760 7.468 ( 0.000 0.808 -0.219) 0.837 7.636 ( 0.000 -0.152 0.243) 0.286 7.655 ( 0.000 -1.739 -0.418) 1.788 ======================= Grid point 372 (121/125) ======================= q-point: ( 0.78 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 1.162 -0.000 -1.407) 1.825 1.127 ( -3.220 0.000 2.140) 3.866 1.197 ( 1.886 -0.000 -0.913) 2.095 1.260 ( -1.542 0.000 0.912) 1.791 1.525 ( 1.208 0.000 0.952) 1.538 1.547 ( 0.240 0.000 2.292) 2.305 1.567 ( 1.080 -0.000 -1.459) 1.815 1.614 ( -1.027 -0.000 -0.231) 1.053 1.726 ( -0.164 -0.000 -2.717) 2.722 1.744 ( -0.912 -0.000 -1.266) 1.561 1.769 ( 1.379 -0.000 -0.260) 1.404 1.784 ( 1.433 -0.000 -2.437) 2.827 1.840 ( -1.676 0.000 1.072) 1.989 1.844 ( -1.743 -0.000 -1.745) 2.466 2.022 ( 4.333 0.000 1.411) 4.557 2.059 ( 2.441 0.000 0.710) 2.542 2.120 ( 0.353 0.000 6.211) 6.221 2.125 ( 0.832 0.000 5.860) 5.919 2.257 ( 0.080 -0.000 -1.402) 1.405 2.259 ( 0.097 -0.000 -0.998) 1.003 2.431 ( 2.271 -0.000 -0.131) 2.275 2.468 ( 0.732 0.000 1.350) 1.536 2.526 ( 5.093 -0.000 -3.545) 6.205 2.587 ( 2.645 -0.000 -0.868) 2.784 2.780 ( -6.510 0.000 -0.137) 6.512 2.781 ( -6.763 0.000 -0.068) 6.764 2.839 ( -3.475 -0.000 -0.331) 3.491 2.851 ( -3.243 0.000 0.106) 3.244 3.375 ( 6.232 -0.000 -0.264) 6.237 3.395 ( 5.334 0.000 0.447) 5.352 4.510 ( -1.930 -0.000 -0.136) 1.934 4.518 ( -2.247 0.000 0.146) 2.251 4.999 ( -1.354 0.000 0.014) 1.354 5.002 ( -1.479 0.000 0.141) 1.486 5.188 ( 2.666 -0.000 -0.016) 2.666 5.196 ( 2.374 0.000 0.253) 2.388 5.313 ( -1.893 0.000 -0.022) 1.893 5.318 ( -2.134 0.000 0.149) 2.139 5.781 ( -0.806 0.000 0.062) 0.809 5.782 ( -0.903 0.000 0.094) 0.908 5.971 ( 1.594 -0.000 -0.166) 1.602 5.981 ( 1.215 0.000 0.208) 1.233 6.289 ( -0.803 -0.000 -0.141) 0.815 6.296 ( -1.236 0.000 0.097) 1.240 6.417 ( -0.181 0.000 0.106) 0.210 6.418 ( -0.232 0.000 0.149) 0.276 6.518 ( 0.803 -0.000 -0.078) 0.806 6.521 ( 0.650 0.000 0.043) 0.651 7.157 ( -0.208 -0.000 -0.040) 0.212 7.160 ( -0.381 0.000 0.054) 0.385 7.475 ( -1.072 0.000 0.191) 1.089 7.477 ( -1.187 0.000 0.268) 1.217 7.625 ( 1.354 -0.000 -0.393) 1.410 7.637 ( 0.649 0.000 0.037) 0.650 ======================= Grid point 383 (122/125) ======================= q-point: ( 0.78 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.000 6.228 1.951) 6.526 1.057 ( -0.000 5.119 0.453) 5.138 1.128 ( 0.000 15.486 -0.356) 15.490 1.143 ( -0.000 14.205 -1.385) 14.272 1.563 ( -0.000 0.094 0.682) 0.688 1.578 ( 0.000 0.067 -0.569) 0.573 1.631 ( -0.000 -10.278 0.559) 10.293 1.637 ( -0.000 -9.487 -0.418) 9.497 1.719 ( 0.000 0.860 -0.967) 1.294 1.732 ( 0.000 -1.569 -2.114) 2.633 1.793 ( -0.000 -1.061 0.581) 1.210 1.807 ( 0.000 -0.654 -0.150) 0.671 1.841 ( -0.000 -5.362 -0.547) 5.390 1.846 ( -0.000 -7.174 -0.683) 7.206 2.050 ( 0.000 9.914 2.011) 10.116 2.081 ( 0.000 0.434 0.432) 0.613 2.087 ( -0.000 0.400 2.908) 2.935 2.120 ( 0.000 15.762 0.360) 15.766 2.212 ( 0.000 -4.260 4.814) 6.428 2.288 ( 0.000 -0.081 -0.225) 0.239 2.459 ( 0.000 -1.400 0.616) 1.529 2.505 ( 0.000 -0.022 -2.959) 2.959 2.626 ( -0.000 -13.157 0.784) 13.181 2.667 ( -0.000 -1.724 -1.230) 2.118 2.674 ( -0.000 5.912 -0.010) 5.912 2.676 ( 0.000 -3.939 -1.124) 4.096 2.858 ( 0.000 -7.155 0.123) 7.156 2.861 ( 0.000 -7.227 -0.057) 7.227 3.435 ( 0.000 0.178 0.254) 0.310 3.439 ( 0.000 -0.231 -0.039) 0.234 4.491 ( 0.000 0.363 0.043) 0.366 4.492 ( 0.000 0.257 -0.036) 0.260 4.961 ( -0.000 4.902 0.256) 4.908 4.966 ( -0.000 4.597 -0.093) 4.598 5.228 ( -0.000 -2.291 0.243) 2.304 5.231 ( -0.000 -2.318 0.049) 2.318 5.293 ( -0.000 0.559 0.171) 0.584 5.296 ( -0.000 0.197 -0.046) 0.202 5.729 ( -0.000 7.775 0.115) 7.776 5.730 ( -0.000 7.834 0.031) 7.834 6.023 ( -0.000 -6.129 0.220) 6.133 6.029 ( 0.000 -6.532 -0.193) 6.535 6.281 ( -0.000 0.155 0.034) 0.158 6.283 ( -0.000 0.036 -0.068) 0.077 6.401 ( 0.000 2.552 0.300) 2.570 6.406 ( 0.000 2.143 -0.054) 2.144 6.533 ( -0.000 -1.509 0.234) 1.527 6.539 ( -0.000 -2.233 -0.245) 2.247 7.154 ( 0.000 0.147 0.091) 0.172 7.157 ( 0.000 -0.094 -0.088) 0.129 7.450 ( -0.000 2.465 0.687) 2.559 7.465 ( -0.000 1.229 -0.393) 1.290 7.638 ( -0.000 -0.509 0.387) 0.639 7.651 ( -0.000 -1.544 -0.540) 1.635 ======================= Grid point 384 (123/125) ======================= q-point: ( 0.89 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 1.806 -0.000 -0.732) 1.949 1.141 ( -3.539 0.000 1.213) 3.741 1.192 ( 2.067 -0.000 -0.400) 2.105 1.265 ( -2.069 0.000 0.419) 2.111 1.530 ( 1.718 0.000 0.354) 1.754 1.559 ( 0.800 -0.000 -0.429) 0.908 1.564 ( -0.263 0.000 1.790) 1.809 1.612 ( -1.299 -0.000 -0.266) 1.326 1.704 ( 0.695 -0.000 -2.139) 2.249 1.732 ( -0.604 -0.000 -1.384) 1.510 1.769 ( 1.347 0.000 0.089) 1.350 1.771 ( 1.257 -0.000 -0.766) 1.472 1.833 ( -1.775 -0.000 -0.912) 1.995 1.846 ( -1.947 0.000 0.535) 2.020 2.029 ( 4.644 0.000 0.506) 4.671 2.063 ( 2.825 0.000 0.314) 2.842 2.169 ( 0.215 0.000 5.370) 5.374 2.174 ( 0.550 0.000 5.635) 5.662 2.241 ( 0.174 -0.000 -2.462) 2.469 2.247 ( 0.015 -0.000 -2.010) 2.010 2.431 ( 3.219 0.000 0.220) 3.226 2.478 ( 0.947 0.000 0.993) 1.372 2.499 ( 4.917 -0.000 -2.760) 5.639 2.579 ( 1.924 -0.000 -0.883) 2.117 2.779 ( -6.461 0.000 -0.092) 6.461 2.781 ( -6.744 0.000 -0.040) 6.744 2.836 ( -3.430 -0.000 -0.182) 3.435 2.852 ( -3.181 0.000 0.042) 3.181 3.373 ( 6.358 -0.000 -0.128) 6.360 3.398 ( 5.257 0.000 0.248) 5.263 4.509 ( -1.894 -0.000 -0.072) 1.895 4.519 ( -2.282 0.000 0.078) 2.284 4.999 ( -1.335 0.000 0.016) 1.335 5.003 ( -1.490 0.000 0.085) 1.493 5.188 ( 2.738 -0.000 0.006) 2.738 5.198 ( 2.382 0.000 0.149) 2.387 5.313 ( -1.860 0.000 -0.004) 1.860 5.319 ( -2.156 0.000 0.088) 2.158 5.781 ( -0.777 0.000 0.042) 0.778 5.782 ( -0.896 0.000 0.060) 0.898 5.970 ( 1.631 -0.000 -0.086) 1.634 5.983 ( 1.168 0.000 0.113) 1.174 6.288 ( -0.752 -0.000 -0.077) 0.756 6.296 ( -1.282 0.000 0.049) 1.283 6.418 ( -0.152 0.000 0.072) 0.168 6.419 ( -0.215 0.000 0.095) 0.235 6.517 ( 0.819 -0.000 -0.044) 0.820 6.521 ( 0.632 0.000 0.021) 0.632 7.157 ( -0.192 -0.000 -0.020) 0.193 7.160 ( -0.404 0.000 0.030) 0.405 7.477 ( -1.051 0.000 0.129) 1.058 7.479 ( -1.204 0.000 0.177) 1.217 7.623 ( 1.465 -0.000 -0.238) 1.484 7.637 ( 0.587 -0.000 -0.000) 0.587 ======================= Grid point 386 (124/125) ======================= q-point: ( 1.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 2.036 -0.000 0.000) 2.036 1.146 ( -3.636 0.000 -0.000) 3.636 1.190 ( 2.115 -0.000 0.000) 2.115 1.267 ( -2.263 0.000 -0.000) 2.263 1.531 ( 2.002 -0.000 0.000) 2.002 1.558 ( 0.600 -0.000 0.000) 0.600 1.573 ( -0.567 0.000 -0.000) 0.567 1.610 ( -1.384 0.000 -0.000) 1.384 1.695 ( 1.109 -0.000 0.000) 1.109 1.726 ( -0.408 0.000 -0.000) 0.408 1.768 ( 1.105 -0.000 0.000) 1.105 1.769 ( 1.361 -0.000 0.000) 1.361 1.829 ( -1.797 0.000 -0.000) 1.797 1.849 ( -2.034 0.000 -0.000) 2.034 2.031 ( 4.718 -0.000 0.000) 4.718 2.064 ( 2.914 -0.000 0.000) 2.914 2.201 ( 0.174 -0.000 0.000) 0.174 2.206 ( 0.529 -0.000 0.000) 0.529 2.222 ( 0.268 -0.000 0.000) 0.268 2.231 ( -0.141 0.000 -0.000) 0.141 2.433 ( 3.866 -0.000 0.000) 3.866 2.483 ( 1.099 -0.000 0.000) 1.099 2.486 ( 4.626 -0.000 0.000) 4.626 2.575 ( 1.585 -0.000 0.000) 1.585 2.779 ( -6.443 0.000 -0.000) 6.443 2.780 ( -6.734 0.000 -0.000) 6.734 2.836 ( -3.409 0.000 -0.000) 3.409 2.852 ( -3.159 0.000 -0.000) 3.159 3.373 ( 6.404 -0.000 0.000) 6.404 3.399 ( 5.231 -0.000 0.000) 5.231 4.509 ( -1.881 0.000 -0.000) 1.881 4.519 ( -2.295 0.000 -0.000) 2.295 4.999 ( -1.329 0.000 -0.000) 1.329 5.003 ( -1.494 0.000 -0.000) 1.494 5.188 ( 2.765 -0.000 0.000) 2.765 5.198 ( 2.387 -0.000 0.000) 2.387 5.313 ( -1.848 0.000 -0.000) 1.848 5.319 ( -2.164 0.000 -0.000) 2.164 5.781 ( -0.765 0.000 -0.000) 0.765 5.783 ( -0.893 0.000 -0.000) 0.893 5.969 ( 1.644 -0.000 0.000) 1.644 5.983 ( 1.152 -0.000 0.000) 1.152 6.288 ( -0.734 0.000 -0.000) 0.734 6.297 ( -1.298 0.000 -0.000) 1.298 6.418 ( -0.140 0.000 -0.000) 0.140 6.419 ( -0.209 0.000 -0.000) 0.209 6.517 ( 0.825 -0.000 0.000) 0.825 6.521 ( 0.625 -0.000 0.000) 0.625 7.157 ( -0.186 0.000 -0.000) 0.186 7.160 ( -0.412 0.000 -0.000) 0.412 7.477 ( -1.042 0.000 -0.000) 1.042 7.480 ( -1.211 0.000 -0.000) 1.211 7.622 ( 1.506 -0.000 0.000) 1.506 7.637 ( 0.565 -0.000 0.000) 0.565 ======================= Grid point 397 (125/125) ======================= q-point: ( 0.89 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 4.532 1.383) 4.739 1.058 ( 0.000 4.129 -0.296) 4.140 1.127 ( -0.000 16.383 0.209) 16.384 1.132 ( -0.000 15.957 -1.038) 15.991 1.568 ( -0.000 0.949 0.543) 1.093 1.573 ( 0.000 0.836 -0.600) 1.030 1.635 ( -0.000 -10.538 0.390) 10.545 1.636 ( -0.000 -10.366 0.010) 10.366 1.713 ( -0.000 0.258 -0.205) 0.329 1.717 ( -0.000 -0.610 -1.247) 1.388 1.799 ( 0.000 -1.581 0.743) 1.747 1.804 ( 0.000 -1.647 -0.463) 1.711 1.839 ( -0.000 -6.177 0.030) 6.177 1.841 ( -0.000 -6.714 -0.482) 6.731 2.065 ( -0.000 8.237 1.689) 8.409 2.077 ( -0.000 4.979 -1.094) 5.098 2.108 ( -0.000 4.617 1.994) 5.029 2.119 ( -0.000 9.848 -0.706) 9.873 2.252 ( 0.000 -3.106 4.352) 5.347 2.279 ( -0.000 -1.654 -2.105) 2.678 2.467 ( -0.000 -0.212 1.308) 1.325 2.482 ( -0.000 0.416 -2.429) 2.464 2.635 ( 0.000 -13.032 1.547) 13.123 2.651 ( 0.000 -11.619 -2.148) 11.816 2.673 ( 0.000 4.934 0.010) 4.934 2.674 ( 0.000 5.668 -0.048) 5.668 2.860 ( 0.000 -7.166 0.125) 7.168 2.860 ( 0.000 -7.192 -0.101) 7.193 3.437 ( 0.000 0.047 0.209) 0.214 3.438 ( 0.000 -0.095 -0.124) 0.157 4.492 ( -0.000 0.330 0.046) 0.333 4.492 ( 0.000 0.293 -0.044) 0.296 4.963 ( 0.000 4.791 0.231) 4.796 4.965 ( 0.000 4.685 -0.167) 4.688 5.230 ( -0.000 -2.288 0.166) 2.294 5.231 ( -0.000 -2.296 -0.050) 2.297 5.294 ( 0.000 0.435 0.150) 0.460 5.295 ( -0.000 0.309 -0.100) 0.324 5.730 ( 0.000 7.807 0.078) 7.808 5.730 ( 0.000 7.828 -0.020) 7.828 6.025 ( 0.000 -6.257 0.242) 6.262 6.027 ( 0.000 -6.397 -0.231) 6.401 6.282 ( 0.000 0.116 0.050) 0.126 6.282 ( 0.000 0.075 -0.063) 0.098 6.404 ( 0.000 2.432 0.250) 2.445 6.405 ( 0.000 2.290 -0.153) 2.295 6.535 ( -0.000 -1.756 0.268) 1.776 6.537 ( -0.000 -2.007 -0.272) 2.025 7.155 ( 0.000 0.069 0.102) 0.123 7.156 ( 0.000 -0.015 -0.101) 0.102 7.456 ( 0.000 2.123 0.686) 2.231 7.461 ( 0.000 1.694 -0.570) 1.787 7.642 ( -0.000 -0.901 0.512) 1.036 7.647 ( -0.000 -1.260 -0.572) 1.384 =================== 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 3/39366 10.0 34.908 43.963 20.772 0.000 0.000 0.000 3/39366 20.0 16.796 18.906 5.605 -0.000 0.000 0.000 3/39366 30.0 10.955 11.734 2.875 -0.000 0.000 0.000 3/39366 40.0 8.434 8.847 1.941 -0.000 0.000 0.000 3/39366 50.0 6.971 7.250 1.479 -0.000 0.000 0.000 3/39366 60.0 5.980 6.199 1.201 -0.000 0.000 0.000 3/39366 70.0 5.250 5.437 1.015 -0.000 0.000 0.000 3/39366 80.0 4.685 4.852 0.880 -0.000 0.000 0.000 3/39366 90.0 4.232 4.386 0.777 -0.000 0.000 0.000 3/39366 100.0 3.861 4.003 0.697 -0.000 0.000 0.000 3/39366 110.0 3.550 3.684 0.632 -0.000 0.000 0.000 3/39366 120.0 3.286 3.412 0.578 -0.000 0.000 0.000 3/39366 130.0 3.058 3.178 0.533 -0.000 0.000 0.000 3/39366 140.0 2.860 2.974 0.494 -0.000 0.000 0.000 3/39366 150.0 2.687 2.795 0.461 -0.000 0.000 0.000 3/39366 160.0 2.533 2.636 0.432 -0.000 0.000 0.000 3/39366 170.0 2.396 2.495 0.406 -0.000 0.000 0.000 3/39366 180.0 2.273 2.367 0.384 -0.000 0.000 0.000 3/39366 190.0 2.162 2.253 0.364 -0.000 0.000 0.000 3/39366 200.0 2.061 2.148 0.345 -0.000 0.000 0.000 3/39366 210.0 1.969 2.053 0.329 -0.000 0.000 0.000 3/39366 220.0 1.885 1.966 0.314 -0.000 0.000 0.000 3/39366 230.0 1.808 1.886 0.300 -0.000 0.000 0.000 3/39366 240.0 1.737 1.813 0.288 -0.000 0.000 0.000 3/39366 250.0 1.672 1.745 0.276 -0.000 0.000 0.000 3/39366 260.0 1.611 1.681 0.266 -0.000 0.000 0.000 3/39366 270.0 1.554 1.623 0.256 -0.000 0.000 0.000 3/39366 280.0 1.501 1.568 0.247 -0.000 0.000 0.000 3/39366 290.0 1.452 1.517 0.238 -0.000 0.000 0.000 3/39366 300.0 1.406 1.469 0.231 -0.000 0.000 0.000 3/39366 310.0 1.363 1.424 0.223 -0.000 0.000 0.000 3/39366 320.0 1.322 1.381 0.216 -0.000 0.000 0.000 3/39366 330.0 1.284 1.341 0.210 -0.000 0.000 0.000 3/39366 340.0 1.247 1.304 0.204 -0.000 0.000 0.000 3/39366 350.0 1.213 1.268 0.198 -0.000 0.000 0.000 3/39366 360.0 1.181 1.234 0.192 -0.000 0.000 0.000 3/39366 370.0 1.150 1.202 0.187 -0.000 0.000 0.000 3/39366 380.0 1.121 1.172 0.182 -0.000 0.000 0.000 3/39366 390.0 1.093 1.143 0.178 -0.000 0.000 0.000 3/39366 400.0 1.067 1.116 0.173 -0.000 0.000 0.000 3/39366 410.0 1.042 1.089 0.169 -0.000 0.000 0.000 3/39366 420.0 1.018 1.064 0.165 -0.000 0.000 0.000 3/39366 430.0 0.995 1.041 0.161 -0.000 0.000 0.000 3/39366 440.0 0.973 1.018 0.157 -0.000 0.000 0.000 3/39366 450.0 0.952 0.996 0.154 -0.000 0.000 0.000 3/39366 460.0 0.932 0.975 0.151 -0.000 0.000 0.000 3/39366 470.0 0.913 0.955 0.147 -0.000 0.000 0.000 3/39366 480.0 0.894 0.936 0.144 -0.000 0.000 0.000 3/39366 490.0 0.877 0.917 0.141 -0.000 0.000 0.000 3/39366 500.0 0.860 0.899 0.139 -0.000 0.000 0.000 3/39366 510.0 0.843 0.882 0.136 -0.000 0.000 0.000 3/39366 520.0 0.827 0.866 0.133 -0.000 0.000 0.000 3/39366 530.0 0.812 0.850 0.131 -0.000 0.000 0.000 3/39366 540.0 0.798 0.835 0.128 -0.000 0.000 0.000 3/39366 550.0 0.784 0.820 0.126 -0.000 0.000 0.000 3/39366 560.0 0.770 0.806 0.124 -0.000 0.000 0.000 3/39366 570.0 0.757 0.792 0.122 -0.000 0.000 0.000 3/39366 580.0 0.744 0.779 0.120 -0.000 0.000 0.000 3/39366 590.0 0.732 0.766 0.118 -0.000 0.000 0.000 3/39366 600.0 0.720 0.753 0.116 -0.000 0.000 0.000 3/39366 610.0 0.708 0.741 0.114 -0.000 0.000 0.000 3/39366 620.0 0.697 0.730 0.112 -0.000 0.000 0.000 3/39366 630.0 0.686 0.718 0.110 -0.000 0.000 0.000 3/39366 640.0 0.676 0.707 0.108 -0.000 0.000 0.000 3/39366 650.0 0.666 0.697 0.107 -0.000 0.000 0.000 3/39366 660.0 0.656 0.687 0.105 -0.000 0.000 0.000 3/39366 670.0 0.646 0.677 0.104 -0.000 0.000 0.000 3/39366 680.0 0.637 0.667 0.102 -0.000 0.000 0.000 3/39366 690.0 0.628 0.657 0.101 -0.000 0.000 0.000 3/39366 700.0 0.619 0.648 0.099 -0.000 0.000 0.000 3/39366 710.0 0.611 0.639 0.098 -0.000 0.000 0.000 3/39366 720.0 0.602 0.631 0.096 -0.000 0.000 0.000 3/39366 730.0 0.594 0.622 0.095 -0.000 0.000 0.000 3/39366 740.0 0.586 0.614 0.094 -0.000 0.000 0.000 3/39366 750.0 0.579 0.606 0.093 -0.000 0.000 0.000 3/39366 760.0 0.571 0.598 0.091 -0.000 0.000 0.000 3/39366 770.0 0.564 0.590 0.090 -0.000 0.000 0.000 3/39366 780.0 0.557 0.583 0.089 -0.000 0.000 0.000 3/39366 790.0 0.550 0.576 0.088 -0.000 0.000 0.000 3/39366 800.0 0.543 0.569 0.087 -0.000 0.000 0.000 3/39366 810.0 0.537 0.562 0.086 -0.000 0.000 0.000 3/39366 820.0 0.530 0.555 0.085 -0.000 0.000 0.000 3/39366 830.0 0.524 0.549 0.084 -0.000 0.000 0.000 3/39366 840.0 0.518 0.542 0.083 -0.000 0.000 0.000 3/39366 850.0 0.512 0.536 0.082 -0.000 0.000 0.000 3/39366 860.0 0.506 0.530 0.081 -0.000 0.000 0.000 3/39366 870.0 0.500 0.524 0.080 -0.000 0.000 0.000 3/39366 880.0 0.495 0.518 0.079 -0.000 0.000 0.000 3/39366 890.0 0.489 0.512 0.078 -0.000 0.000 0.000 3/39366 900.0 0.484 0.507 0.077 -0.000 0.000 0.000 3/39366 910.0 0.479 0.501 0.076 -0.000 0.000 0.000 3/39366 920.0 0.473 0.496 0.076 -0.000 0.000 0.000 3/39366 930.0 0.468 0.491 0.075 -0.000 0.000 0.000 3/39366 940.0 0.464 0.486 0.074 -0.000 0.000 0.000 3/39366 950.0 0.459 0.481 0.073 -0.000 0.000 0.000 3/39366 960.0 0.454 0.476 0.072 -0.000 0.000 0.000 3/39366 970.0 0.449 0.471 0.072 -0.000 0.000 0.000 3/39366 980.0 0.445 0.466 0.071 -0.000 0.000 0.000 3/39366 990.0 0.441 0.461 0.070 -0.000 0.000 0.000 3/39366 1000.0 0.436 0.457 0.070 -0.000 0.000 0.000 3/39366 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:33:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|