----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:50:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.486022480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.194913740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.911078230000000 Atomic positions (fractional): *1 Mg 0.26528287629451 0.75000000000000 0.00082118253628 24.305 2 Mg 0.23471712370549 0.25000000000000 0.50082118253628 24.305 3 Mg 0.73471712370549 0.25000000000000 0.99917881746372 24.305 4 Mg 0.76528287629451 0.75000000000000 0.49917881746372 24.305 *5 Al 0.08492330962304 0.75000000000000 0.59036381947946 26.982 6 Al 0.41507669037696 0.25000000000000 0.09036381947946 26.982 7 Al 0.91507669037696 0.25000000000000 0.40963618052054 26.982 8 Al 0.58492330962304 0.75000000000000 0.90963618052054 26.982 *9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 10 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 11 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *13 S 0.08444224418297 0.75000000000000 0.21203052849118 32.065 14 S 0.41555775581703 0.25000000000000 0.71203052849118 32.065 15 S 0.91555775581703 0.25000000000000 0.78796947150882 32.065 16 S 0.58444224418297 0.75000000000000 0.28796947150882 32.065 *17 S 0.42501889655233 0.75000000000000 0.72769642921749 32.065 18 S 0.07498110344767 0.25000000000000 0.22769642921749 32.065 19 S 0.57498110344767 0.25000000000000 0.27230357078251 32.065 20 S 0.92501889655233 0.75000000000000 0.77230357078251 32.065 *21 S 0.15861252240004 0.99673334723689 0.76180245144759 32.065 22 S 0.34138747759996 0.00326665276311 0.26180245144759 32.065 23 S 0.84138747759996 0.49673334723689 0.23819754855241 32.065 24 S 0.65861252240004 0.50326665276311 0.73819754855241 32.065 25 S 0.84138747759996 0.00326665276311 0.23819754855241 32.065 26 S 0.65861252240004 0.99673334723689 0.73819754855241 32.065 27 S 0.15861252240004 0.50326665276311 0.76180245144759 32.065 28 S 0.34138747759996 0.49673334723689 0.26180245144759 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.486022480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.194913740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.911078230000000 Atomic positions (fractional): *1 Mg 0.26528287629451 0.75000000000000 0.00082118253628 24.305 > 1 2 Mg 0.23471712370549 0.25000000000000 0.50082118253628 24.305 > 2 3 Mg 0.73471712370549 0.25000000000000 0.99917881746372 24.305 > 3 4 Mg 0.76528287629451 0.75000000000000 0.49917881746372 24.305 > 4 *5 Al 0.08492330962304 0.75000000000000 0.59036381947946 26.982 > 5 6 Al 0.41507669037696 0.25000000000000 0.09036381947946 26.982 > 6 7 Al 0.91507669037696 0.25000000000000 0.40963618052054 26.982 > 7 8 Al 0.58492330962304 0.75000000000000 0.90963618052054 26.982 > 8 *9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 10 11 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 11 12 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 12 *13 S 0.08444224418297 0.75000000000000 0.21203052849118 32.065 > 13 14 S 0.41555775581703 0.25000000000000 0.71203052849118 32.065 > 14 15 S 0.91555775581703 0.25000000000000 0.78796947150882 32.065 > 15 16 S 0.58444224418297 0.75000000000000 0.28796947150882 32.065 > 16 *17 S 0.42501889655233 0.75000000000000 0.72769642921749 32.065 > 17 18 S 0.07498110344767 0.25000000000000 0.22769642921749 32.065 > 18 19 S 0.57498110344767 0.25000000000000 0.27230357078251 32.065 > 19 20 S 0.92501889655233 0.75000000000000 0.77230357078251 32.065 > 20 *21 S 0.15861252240004 0.99673334723689 0.76180245144759 32.065 > 21 22 S 0.34138747759996 0.00326665276311 0.26180245144759 32.065 > 22 23 S 0.84138747759996 0.49673334723689 0.23819754855241 32.065 > 23 24 S 0.65861252240004 0.50326665276311 0.73819754855241 32.065 > 24 25 S 0.84138747759996 0.00326665276311 0.23819754855241 32.065 > 25 26 S 0.65861252240004 0.99673334723689 0.73819754855241 32.065 > 26 27 S 0.15861252240004 0.50326665276311 0.76180245144759 32.065 > 27 28 S 0.34138747759996 0.49673334723689 0.26180245144759 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.486022480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.389827479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.822156460000000 Atomic positions (fractional): *1 Mg 0.26528287629451 0.37500000000000 0.00041059126814 24.305 > 1 2 Mg 0.26528287629451 0.87500000000000 0.00041059126814 24.305 > 1 3 Mg 0.26528287629451 0.37500000000000 0.50041059126814 24.305 > 1 4 Mg 0.26528287629451 0.87500000000000 0.50041059126814 24.305 > 1 5 Mg 0.23471712370549 0.12500000000000 0.25041059126814 24.305 > 2 6 Mg 0.23471712370549 0.62500000000000 0.25041059126814 24.305 > 2 7 Mg 0.23471712370549 0.12500000000000 0.75041059126814 24.305 > 2 8 Mg 0.23471712370549 0.62500000000000 0.75041059126814 24.305 > 2 9 Mg 0.73471712370549 0.12500000000000 0.49958940873186 24.305 > 3 10 Mg 0.73471712370549 0.62500000000000 0.49958940873186 24.305 > 3 11 Mg 0.73471712370549 0.12500000000000 0.99958940873186 24.305 > 3 12 Mg 0.73471712370549 0.62500000000000 0.99958940873186 24.305 > 3 13 Mg 0.76528287629451 0.37500000000000 0.24958940873186 24.305 > 4 14 Mg 0.76528287629451 0.87500000000000 0.24958940873186 24.305 > 4 15 Mg 0.76528287629451 0.37500000000000 0.74958940873186 24.305 > 4 16 Mg 0.76528287629451 0.87500000000000 0.74958940873186 24.305 > 4 *17 Al 0.08492330962304 0.37500000000000 0.29518190973973 26.982 > 5 18 Al 0.08492330962304 0.87500000000000 0.29518190973973 26.982 > 5 19 Al 0.08492330962304 0.37500000000000 0.79518190973973 26.982 > 5 20 Al 0.08492330962304 0.87500000000000 0.79518190973973 26.982 > 5 21 Al 0.41507669037696 0.12500000000000 0.04518190973973 26.982 > 6 22 Al 0.41507669037696 0.62500000000000 0.04518190973973 26.982 > 6 23 Al 0.41507669037696 0.12500000000000 0.54518190973973 26.982 > 6 24 Al 0.41507669037696 0.62500000000000 0.54518190973973 26.982 > 6 25 Al 0.91507669037696 0.12500000000000 0.20481809026027 26.982 > 7 26 Al 0.91507669037696 0.62500000000000 0.20481809026027 26.982 > 7 27 Al 0.91507669037696 0.12500000000000 0.70481809026027 26.982 > 7 28 Al 0.91507669037696 0.62500000000000 0.70481809026027 26.982 > 7 29 Al 0.58492330962304 0.37500000000000 0.45481809026027 26.982 > 8 30 Al 0.58492330962304 0.87500000000000 0.45481809026027 26.982 > 8 31 Al 0.58492330962304 0.37500000000000 0.95481809026027 26.982 > 8 32 Al 0.58492330962304 0.87500000000000 0.95481809026027 26.982 > 8 *33 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 9 34 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 9 35 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 9 36 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 9 37 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 10 38 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 10 39 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 10 40 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 10 41 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 11 42 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 11 43 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 11 44 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 11 45 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 12 46 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 12 47 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 12 48 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 12 *49 S 0.08444224418297 0.37500000000000 0.10601526424559 32.065 > 13 50 S 0.08444224418297 0.87500000000000 0.10601526424559 32.065 > 13 51 S 0.08444224418297 0.37500000000000 0.60601526424559 32.065 > 13 52 S 0.08444224418297 0.87500000000000 0.60601526424559 32.065 > 13 53 S 0.41555775581703 0.12500000000000 0.35601526424559 32.065 > 14 54 S 0.41555775581703 0.62500000000000 0.35601526424559 32.065 > 14 55 S 0.41555775581703 0.12500000000000 0.85601526424559 32.065 > 14 56 S 0.41555775581703 0.62500000000000 0.85601526424559 32.065 > 14 57 S 0.91555775581703 0.12500000000000 0.39398473575441 32.065 > 15 58 S 0.91555775581703 0.62500000000000 0.39398473575441 32.065 > 15 59 S 0.91555775581703 0.12500000000000 0.89398473575441 32.065 > 15 60 S 0.91555775581703 0.62500000000000 0.89398473575441 32.065 > 15 61 S 0.58444224418297 0.37500000000000 0.14398473575441 32.065 > 16 62 S 0.58444224418297 0.87500000000000 0.14398473575441 32.065 > 16 63 S 0.58444224418297 0.37500000000000 0.64398473575441 32.065 > 16 64 S 0.58444224418297 0.87500000000000 0.64398473575441 32.065 > 16 *65 S 0.42501889655233 0.37500000000000 0.36384821460874 32.065 > 17 66 S 0.42501889655233 0.87500000000000 0.36384821460874 32.065 > 17 67 S 0.42501889655233 0.37500000000000 0.86384821460874 32.065 > 17 68 S 0.42501889655233 0.87500000000000 0.86384821460874 32.065 > 17 69 S 0.07498110344767 0.12500000000000 0.11384821460874 32.065 > 18 70 S 0.07498110344767 0.62500000000000 0.11384821460874 32.065 > 18 71 S 0.07498110344767 0.12500000000000 0.61384821460874 32.065 > 18 72 S 0.07498110344767 0.62500000000000 0.61384821460874 32.065 > 18 73 S 0.57498110344767 0.12500000000000 0.13615178539126 32.065 > 19 74 S 0.57498110344767 0.62500000000000 0.13615178539126 32.065 > 19 75 S 0.57498110344767 0.12500000000000 0.63615178539126 32.065 > 19 76 S 0.57498110344767 0.62500000000000 0.63615178539126 32.065 > 19 77 S 0.92501889655233 0.37500000000000 0.38615178539126 32.065 > 20 78 S 0.92501889655233 0.87500000000000 0.38615178539126 32.065 > 20 79 S 0.92501889655233 0.37500000000000 0.88615178539126 32.065 > 20 80 S 0.92501889655233 0.87500000000000 0.88615178539126 32.065 > 20 *81 S 0.15861252240004 0.49836667361844 0.38090122572380 32.065 > 21 82 S 0.15861252240004 0.99836667361844 0.38090122572380 32.065 > 21 83 S 0.15861252240004 0.49836667361844 0.88090122572380 32.065 > 21 84 S 0.15861252240004 0.99836667361844 0.88090122572380 32.065 > 21 85 S 0.34138747759996 0.00163332638156 0.13090122572380 32.065 > 22 86 S 0.34138747759996 0.50163332638156 0.13090122572380 32.065 > 22 87 S 0.34138747759996 0.00163332638156 0.63090122572380 32.065 > 22 88 S 0.34138747759996 0.50163332638156 0.63090122572380 32.065 > 22 89 S 0.84138747759996 0.24836667361844 0.11909877427620 32.065 > 23 90 S 0.84138747759996 0.74836667361844 0.11909877427620 32.065 > 23 91 S 0.84138747759996 0.24836667361844 0.61909877427620 32.065 > 23 92 S 0.84138747759996 0.74836667361844 0.61909877427620 32.065 > 23 93 S 0.65861252240004 0.25163332638156 0.36909877427620 32.065 > 24 94 S 0.65861252240004 0.75163332638156 0.36909877427620 32.065 > 24 95 S 0.65861252240004 0.25163332638156 0.86909877427620 32.065 > 24 96 S 0.65861252240004 0.75163332638156 0.86909877427620 32.065 > 24 97 S 0.84138747759996 0.00163332638156 0.11909877427620 32.065 > 25 98 S 0.84138747759996 0.50163332638156 0.11909877427620 32.065 > 25 99 S 0.84138747759996 0.00163332638156 0.61909877427620 32.065 > 25 100 S 0.84138747759996 0.50163332638156 0.61909877427620 32.065 > 25 101 S 0.65861252240004 0.49836667361844 0.36909877427620 32.065 > 26 102 S 0.65861252240004 0.99836667361844 0.36909877427620 32.065 > 26 103 S 0.65861252240004 0.49836667361844 0.86909877427620 32.065 > 26 104 S 0.65861252240004 0.99836667361844 0.86909877427620 32.065 > 26 105 S 0.15861252240004 0.25163332638156 0.38090122572380 32.065 > 27 106 S 0.15861252240004 0.75163332638156 0.38090122572380 32.065 > 27 107 S 0.15861252240004 0.25163332638156 0.88090122572380 32.065 > 27 108 S 0.15861252240004 0.75163332638156 0.88090122572380 32.065 > 27 109 S 0.34138747759996 0.24836667361844 0.13090122572380 32.065 > 28 110 S 0.34138747759996 0.74836667361844 0.13090122572380 32.065 > 28 111 S 0.34138747759996 0.24836667361844 0.63090122572380 32.065 > 28 112 S 0.34138747759996 0.74836667361844 0.63090122572380 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2961739 0.0000000 0.0000000 0.0000000 5.6940537 0.0000000 0.0000000 0.0000000 6.0204749 -------------------------- Born effective charges -------------------------- 1 Mg 2.8116067 0.0000000 0.2358658 0.0000000 2.2527543 0.0000000 0.0204988 0.0000000 2.2474739 2 Mg 2.8116067 0.0000000 -0.2358658 0.0000000 2.2527543 0.0000000 -0.0204988 0.0000000 2.2474739 3 Mg 2.8116067 0.0000000 0.2358658 0.0000000 2.2527543 0.0000000 0.0204988 0.0000000 2.2474739 4 Mg 2.8116067 0.0000000 -0.2358658 0.0000000 2.2527543 0.0000000 -0.0204988 0.0000000 2.2474739 5 Al 1.7681758 0.0000000 0.0567945 0.0000000 2.2703494 0.0000000 -0.0834621 0.0000000 3.2328552 6 Al 1.7681758 0.0000000 -0.0567945 0.0000000 2.2703494 0.0000000 0.0834621 0.0000000 3.2328552 7 Al 1.7681758 0.0000000 0.0567945 0.0000000 2.2703494 0.0000000 -0.0834621 0.0000000 3.2328552 8 Al 1.7681758 0.0000000 -0.0567945 0.0000000 2.2703494 0.0000000 0.0834621 0.0000000 3.2328552 9 Al 2.5710728 -0.3754782 -0.3563884 -0.3577435 3.5167763 0.2582225 -0.1564366 -0.0331307 3.0195039 10 Al 2.5710728 -0.3754782 0.3563884 -0.3577435 3.5167763 -0.2582225 0.1564366 0.0331307 3.0195039 11 Al 2.5710728 0.3754782 -0.3563884 0.3577435 3.5167763 -0.2582225 -0.1564366 0.0331307 3.0195039 12 Al 2.5710728 0.3754782 0.3563884 0.3577435 3.5167763 0.2582225 0.1564366 -0.0331307 3.0195039 13 S -1.4550662 0.0000000 -0.1408913 0.0000000 -1.8729522 0.0000000 -0.1664370 0.0000000 -2.7136111 14 S -1.4550662 0.0000000 0.1408913 0.0000000 -1.8729522 0.0000000 0.1664370 0.0000000 -2.7136111 15 S -1.4550662 0.0000000 -0.1408913 0.0000000 -1.8729522 0.0000000 -0.1664370 0.0000000 -2.7136111 16 S -1.4550662 0.0000000 0.1408913 0.0000000 -1.8729522 0.0000000 0.1664370 0.0000000 -2.7136111 17 S -1.9666619 0.0000000 0.1515439 0.0000000 -1.9082679 0.0000000 0.2484906 0.0000000 -1.9481288 18 S -1.9666619 0.0000000 -0.1515439 0.0000000 -1.9082679 0.0000000 -0.2484906 0.0000000 -1.9481288 19 S -1.9666619 0.0000000 0.1515439 0.0000000 -1.9082679 0.0000000 0.2484906 0.0000000 -1.9481288 20 S -1.9666619 0.0000000 -0.1515439 0.0000000 -1.9082679 0.0000000 -0.2484906 0.0000000 -1.9481288 21 S -1.8645636 -0.2125712 0.1793405 -0.2546517 -2.1293299 0.0387021 0.2228964 0.1534016 -1.9190465 22 S -1.8645636 -0.2125712 -0.1793405 -0.2546517 -2.1293299 -0.0387021 -0.2228964 -0.1534016 -1.9190465 23 S -1.8645636 0.2125712 0.1793405 0.2546517 -2.1293299 -0.0387021 0.2228964 -0.1534016 -1.9190465 24 S -1.8645636 0.2125712 -0.1793405 0.2546517 -2.1293299 0.0387021 -0.2228964 0.1534016 -1.9190465 25 S -1.8645636 -0.2125712 0.1793405 -0.2546517 -2.1293299 0.0387021 0.2228964 0.1534016 -1.9190465 26 S -1.8645636 -0.2125712 -0.1793405 -0.2546517 -2.1293299 -0.0387021 -0.2228964 -0.1534016 -1.9190465 27 S -1.8645636 0.2125712 0.1793405 0.2546517 -2.1293299 -0.0387021 0.2228964 -0.1534016 -1.9190465 28 S -1.8645636 0.2125712 -0.1793405 0.2546517 -2.1293299 0.0387021 -0.2228964 0.1534016 -1.9190465 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.075 Solver_block: 200 / 480 - Time: 3.073 Solver_block: 300 / 480 - Time: 3.078 Solver_block: 400 / 480 - Time: 3.082 Solver_block: 480 / 480 - Time: 2.488 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.847 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:51:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:51:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.486022480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.194913740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.911078230000000 Atomic positions (fractional): 1 Mg 0.26528287629451 0.75000000000000 0.00082118253628 24.305 2 Mg 0.23471712370549 0.25000000000000 0.50082118253628 24.305 3 Mg 0.73471712370549 0.25000000000000 0.99917881746372 24.305 4 Mg 0.76528287629451 0.75000000000000 0.49917881746372 24.305 5 Al 0.08492330962304 0.75000000000000 0.59036381947946 26.982 6 Al 0.41507669037696 0.25000000000000 0.09036381947946 26.982 7 Al 0.91507669037696 0.25000000000000 0.40963618052054 26.982 8 Al 0.58492330962304 0.75000000000000 0.90963618052054 26.982 9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 10 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 11 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 13 S 0.08444224418297 0.75000000000000 0.21203052849118 32.065 14 S 0.41555775581703 0.25000000000000 0.71203052849118 32.065 15 S 0.91555775581703 0.25000000000000 0.78796947150882 32.065 16 S 0.58444224418297 0.75000000000000 0.28796947150882 32.065 17 S 0.42501889655233 0.75000000000000 0.72769642921749 32.065 18 S 0.07498110344767 0.25000000000000 0.22769642921749 32.065 19 S 0.57498110344767 0.25000000000000 0.27230357078251 32.065 20 S 0.92501889655233 0.75000000000000 0.77230357078251 32.065 21 S 0.15861252240004 0.99673334723689 0.76180245144759 32.065 22 S 0.34138747759996 0.00326665276311 0.26180245144759 32.065 23 S 0.84138747759996 0.49673334723689 0.23819754855241 32.065 24 S 0.65861252240004 0.50326665276311 0.73819754855241 32.065 25 S 0.84138747759996 0.00326665276311 0.23819754855241 32.065 26 S 0.65861252240004 0.99673334723689 0.73819754855241 32.065 27 S 0.15861252240004 0.50326665276311 0.76180245144759 32.065 28 S 0.34138747759996 0.49673334723689 0.26180245144759 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.486022480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.389827479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.822156460000000 Atomic positions (fractional): 1 Mg 0.26528287629451 0.37500000000000 0.00041059126814 24.305 > 1 2 Mg 0.26528287629451 0.87500000000000 0.00041059126814 24.305 > 1 3 Mg 0.26528287629451 0.37500000000000 0.50041059126814 24.305 > 1 4 Mg 0.26528287629451 0.87500000000000 0.50041059126814 24.305 > 1 5 Mg 0.23471712370549 0.12500000000000 0.25041059126814 24.305 > 5 6 Mg 0.23471712370549 0.62500000000000 0.25041059126814 24.305 > 5 7 Mg 0.23471712370549 0.12500000000000 0.75041059126814 24.305 > 5 8 Mg 0.23471712370549 0.62500000000000 0.75041059126814 24.305 > 5 9 Mg 0.73471712370549 0.12500000000000 0.49958940873186 24.305 > 9 10 Mg 0.73471712370549 0.62500000000000 0.49958940873186 24.305 > 9 11 Mg 0.73471712370549 0.12500000000000 0.99958940873186 24.305 > 9 12 Mg 0.73471712370549 0.62500000000000 0.99958940873186 24.305 > 9 13 Mg 0.76528287629451 0.37500000000000 0.24958940873186 24.305 > 13 14 Mg 0.76528287629451 0.87500000000000 0.24958940873186 24.305 > 13 15 Mg 0.76528287629451 0.37500000000000 0.74958940873186 24.305 > 13 16 Mg 0.76528287629451 0.87500000000000 0.74958940873186 24.305 > 13 17 Al 0.08492330962304 0.37500000000000 0.29518190973973 26.982 > 17 18 Al 0.08492330962304 0.87500000000000 0.29518190973973 26.982 > 17 19 Al 0.08492330962304 0.37500000000000 0.79518190973973 26.982 > 17 20 Al 0.08492330962304 0.87500000000000 0.79518190973973 26.982 > 17 21 Al 0.41507669037696 0.12500000000000 0.04518190973973 26.982 > 21 22 Al 0.41507669037696 0.62500000000000 0.04518190973973 26.982 > 21 23 Al 0.41507669037696 0.12500000000000 0.54518190973973 26.982 > 21 24 Al 0.41507669037696 0.62500000000000 0.54518190973973 26.982 > 21 25 Al 0.91507669037696 0.12500000000000 0.20481809026027 26.982 > 25 26 Al 0.91507669037696 0.62500000000000 0.20481809026027 26.982 > 25 27 Al 0.91507669037696 0.12500000000000 0.70481809026027 26.982 > 25 28 Al 0.91507669037696 0.62500000000000 0.70481809026027 26.982 > 25 29 Al 0.58492330962304 0.37500000000000 0.45481809026027 26.982 > 29 30 Al 0.58492330962304 0.87500000000000 0.45481809026027 26.982 > 29 31 Al 0.58492330962304 0.37500000000000 0.95481809026027 26.982 > 29 32 Al 0.58492330962304 0.87500000000000 0.95481809026027 26.982 > 29 33 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 33 34 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 33 35 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 33 36 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 33 37 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 37 38 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 37 39 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 37 40 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 37 41 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 41 42 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 41 43 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 41 44 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 41 45 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 45 46 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 45 47 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 45 48 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 45 49 S 0.08444224418297 0.37500000000000 0.10601526424559 32.065 > 49 50 S 0.08444224418297 0.87500000000000 0.10601526424559 32.065 > 49 51 S 0.08444224418297 0.37500000000000 0.60601526424559 32.065 > 49 52 S 0.08444224418297 0.87500000000000 0.60601526424559 32.065 > 49 53 S 0.41555775581703 0.12500000000000 0.35601526424559 32.065 > 53 54 S 0.41555775581703 0.62500000000000 0.35601526424559 32.065 > 53 55 S 0.41555775581703 0.12500000000000 0.85601526424559 32.065 > 53 56 S 0.41555775581703 0.62500000000000 0.85601526424559 32.065 > 53 57 S 0.91555775581703 0.12500000000000 0.39398473575441 32.065 > 57 58 S 0.91555775581703 0.62500000000000 0.39398473575441 32.065 > 57 59 S 0.91555775581703 0.12500000000000 0.89398473575441 32.065 > 57 60 S 0.91555775581703 0.62500000000000 0.89398473575441 32.065 > 57 61 S 0.58444224418297 0.37500000000000 0.14398473575441 32.065 > 61 62 S 0.58444224418297 0.87500000000000 0.14398473575441 32.065 > 61 63 S 0.58444224418297 0.37500000000000 0.64398473575441 32.065 > 61 64 S 0.58444224418297 0.87500000000000 0.64398473575441 32.065 > 61 65 S 0.42501889655233 0.37500000000000 0.36384821460874 32.065 > 65 66 S 0.42501889655233 0.87500000000000 0.36384821460874 32.065 > 65 67 S 0.42501889655233 0.37500000000000 0.86384821460874 32.065 > 65 68 S 0.42501889655233 0.87500000000000 0.86384821460874 32.065 > 65 69 S 0.07498110344767 0.12500000000000 0.11384821460874 32.065 > 69 70 S 0.07498110344767 0.62500000000000 0.11384821460874 32.065 > 69 71 S 0.07498110344767 0.12500000000000 0.61384821460874 32.065 > 69 72 S 0.07498110344767 0.62500000000000 0.61384821460874 32.065 > 69 73 S 0.57498110344767 0.12500000000000 0.13615178539126 32.065 > 73 74 S 0.57498110344767 0.62500000000000 0.13615178539126 32.065 > 73 75 S 0.57498110344767 0.12500000000000 0.63615178539126 32.065 > 73 76 S 0.57498110344767 0.62500000000000 0.63615178539126 32.065 > 73 77 S 0.92501889655233 0.37500000000000 0.38615178539126 32.065 > 77 78 S 0.92501889655233 0.87500000000000 0.38615178539126 32.065 > 77 79 S 0.92501889655233 0.37500000000000 0.88615178539126 32.065 > 77 80 S 0.92501889655233 0.87500000000000 0.88615178539126 32.065 > 77 81 S 0.15861252240004 0.49836667361844 0.38090122572380 32.065 > 81 82 S 0.15861252240004 0.99836667361844 0.38090122572380 32.065 > 81 83 S 0.15861252240004 0.49836667361844 0.88090122572380 32.065 > 81 84 S 0.15861252240004 0.99836667361844 0.88090122572380 32.065 > 81 85 S 0.34138747759996 0.00163332638156 0.13090122572380 32.065 > 85 86 S 0.34138747759996 0.50163332638156 0.13090122572380 32.065 > 85 87 S 0.34138747759996 0.00163332638156 0.63090122572380 32.065 > 85 88 S 0.34138747759996 0.50163332638156 0.63090122572380 32.065 > 85 89 S 0.84138747759996 0.24836667361844 0.11909877427620 32.065 > 89 90 S 0.84138747759996 0.74836667361844 0.11909877427620 32.065 > 89 91 S 0.84138747759996 0.24836667361844 0.61909877427620 32.065 > 89 92 S 0.84138747759996 0.74836667361844 0.61909877427620 32.065 > 89 93 S 0.65861252240004 0.25163332638156 0.36909877427620 32.065 > 93 94 S 0.65861252240004 0.75163332638156 0.36909877427620 32.065 > 93 95 S 0.65861252240004 0.25163332638156 0.86909877427620 32.065 > 93 96 S 0.65861252240004 0.75163332638156 0.86909877427620 32.065 > 93 97 S 0.84138747759996 0.00163332638156 0.11909877427620 32.065 > 97 98 S 0.84138747759996 0.50163332638156 0.11909877427620 32.065 > 97 99 S 0.84138747759996 0.00163332638156 0.61909877427620 32.065 > 97 100 S 0.84138747759996 0.50163332638156 0.61909877427620 32.065 > 97 101 S 0.65861252240004 0.49836667361844 0.36909877427620 32.065 > 101 102 S 0.65861252240004 0.99836667361844 0.36909877427620 32.065 > 101 103 S 0.65861252240004 0.49836667361844 0.86909877427620 32.065 > 101 104 S 0.65861252240004 0.99836667361844 0.86909877427620 32.065 > 101 105 S 0.15861252240004 0.25163332638156 0.38090122572380 32.065 > 105 106 S 0.15861252240004 0.75163332638156 0.38090122572380 32.065 > 105 107 S 0.15861252240004 0.25163332638156 0.88090122572380 32.065 > 105 108 S 0.15861252240004 0.75163332638156 0.88090122572380 32.065 > 105 109 S 0.34138747759996 0.24836667361844 0.13090122572380 32.065 > 109 110 S 0.34138747759996 0.74836667361844 0.13090122572380 32.065 > 109 111 S 0.34138747759996 0.24836667361844 0.63090122572380 32.065 > 109 112 S 0.34138747759996 0.74836667361844 0.63090122572380 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2961739 0.0000000 0.0000000 0.0000000 5.6940537 0.0000000 0.0000000 0.0000000 6.0204749 -------------------------- Born effective charges -------------------------- 1 Mg 2.8116067 0.0000000 0.2358658 0.0000000 2.2527543 0.0000000 0.0204988 0.0000000 2.2474739 2 Mg 2.8116067 0.0000000 -0.2358658 0.0000000 2.2527543 0.0000000 -0.0204988 0.0000000 2.2474739 3 Mg 2.8116067 0.0000000 0.2358658 0.0000000 2.2527543 0.0000000 0.0204988 0.0000000 2.2474739 4 Mg 2.8116067 0.0000000 -0.2358658 0.0000000 2.2527543 0.0000000 -0.0204988 0.0000000 2.2474739 5 Al 1.7681758 0.0000000 0.0567945 0.0000000 2.2703494 0.0000000 -0.0834621 0.0000000 3.2328552 6 Al 1.7681758 0.0000000 -0.0567945 0.0000000 2.2703494 0.0000000 0.0834621 0.0000000 3.2328552 7 Al 1.7681758 0.0000000 0.0567945 0.0000000 2.2703494 0.0000000 -0.0834621 0.0000000 3.2328552 8 Al 1.7681758 0.0000000 -0.0567945 0.0000000 2.2703494 0.0000000 0.0834621 0.0000000 3.2328552 9 Al 2.5710728 -0.3754782 -0.3563884 -0.3577435 3.5167763 0.2582225 -0.1564366 -0.0331307 3.0195039 10 Al 2.5710728 -0.3754782 0.3563884 -0.3577435 3.5167763 -0.2582225 0.1564366 0.0331307 3.0195039 11 Al 2.5710728 0.3754782 -0.3563884 0.3577435 3.5167763 -0.2582225 -0.1564366 0.0331307 3.0195039 12 Al 2.5710728 0.3754782 0.3563884 0.3577435 3.5167763 0.2582225 0.1564366 -0.0331307 3.0195039 13 S -1.4550662 0.0000000 -0.1408913 0.0000000 -1.8729522 0.0000000 -0.1664370 0.0000000 -2.7136111 14 S -1.4550662 0.0000000 0.1408913 0.0000000 -1.8729522 0.0000000 0.1664370 0.0000000 -2.7136111 15 S -1.4550662 0.0000000 -0.1408913 0.0000000 -1.8729522 0.0000000 -0.1664370 0.0000000 -2.7136111 16 S -1.4550662 0.0000000 0.1408913 0.0000000 -1.8729522 0.0000000 0.1664370 0.0000000 -2.7136111 17 S -1.9666619 0.0000000 0.1515439 0.0000000 -1.9082679 0.0000000 0.2484906 0.0000000 -1.9481288 18 S -1.9666619 0.0000000 -0.1515439 0.0000000 -1.9082679 0.0000000 -0.2484906 0.0000000 -1.9481288 19 S -1.9666619 0.0000000 0.1515439 0.0000000 -1.9082679 0.0000000 0.2484906 0.0000000 -1.9481288 20 S -1.9666619 0.0000000 -0.1515439 0.0000000 -1.9082679 0.0000000 -0.2484906 0.0000000 -1.9481288 21 S -1.8645636 -0.2125712 0.1793405 -0.2546517 -2.1293299 0.0387021 0.2228964 0.1534016 -1.9190465 22 S -1.8645636 -0.2125712 -0.1793405 -0.2546517 -2.1293299 -0.0387021 -0.2228964 -0.1534016 -1.9190465 23 S -1.8645636 0.2125712 0.1793405 0.2546517 -2.1293299 -0.0387021 0.2228964 -0.1534016 -1.9190465 24 S -1.8645636 0.2125712 -0.1793405 0.2546517 -2.1293299 0.0387021 -0.2228964 0.1534016 -1.9190465 25 S -1.8645636 -0.2125712 0.1793405 -0.2546517 -2.1293299 0.0387021 0.2228964 0.1534016 -1.9190465 26 S -1.8645636 -0.2125712 -0.1793405 -0.2546517 -2.1293299 -0.0387021 -0.2228964 -0.1534016 -1.9190465 27 S -1.8645636 0.2125712 0.1793405 0.2546517 -2.1293299 -0.0387021 0.2228964 -0.1534016 -1.9190465 28 S -1.8645636 0.2125712 -0.1793405 0.2546517 -2.1293299 0.0387021 -0.2228964 0.1534016 -1.9190465 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:51:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:51:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.486022480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.194913740000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.911078230000000 Atomic positions (fractional): 1 Mg 0.26528287629451 0.75000000000000 0.00082118253628 24.305 2 Mg 0.23471712370549 0.25000000000000 0.50082118253628 24.305 3 Mg 0.73471712370549 0.25000000000000 0.99917881746372 24.305 4 Mg 0.76528287629451 0.75000000000000 0.49917881746372 24.305 5 Al 0.08492330962304 0.75000000000000 0.59036381947946 26.982 6 Al 0.41507669037696 0.25000000000000 0.09036381947946 26.982 7 Al 0.91507669037696 0.25000000000000 0.40963618052054 26.982 8 Al 0.58492330962304 0.75000000000000 0.90963618052054 26.982 9 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 10 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 11 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 12 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 13 S 0.08444224418297 0.75000000000000 0.21203052849118 32.065 14 S 0.41555775581703 0.25000000000000 0.71203052849118 32.065 15 S 0.91555775581703 0.25000000000000 0.78796947150882 32.065 16 S 0.58444224418297 0.75000000000000 0.28796947150882 32.065 17 S 0.42501889655233 0.75000000000000 0.72769642921749 32.065 18 S 0.07498110344767 0.25000000000000 0.22769642921749 32.065 19 S 0.57498110344767 0.25000000000000 0.27230357078251 32.065 20 S 0.92501889655233 0.75000000000000 0.77230357078251 32.065 21 S 0.15861252240004 0.99673334723689 0.76180245144759 32.065 22 S 0.34138747759996 0.00326665276311 0.26180245144759 32.065 23 S 0.84138747759996 0.49673334723689 0.23819754855241 32.065 24 S 0.65861252240004 0.50326665276311 0.73819754855241 32.065 25 S 0.84138747759996 0.00326665276311 0.23819754855241 32.065 26 S 0.65861252240004 0.99673334723689 0.73819754855241 32.065 27 S 0.15861252240004 0.50326665276311 0.76180245144759 32.065 28 S 0.34138747759996 0.49673334723689 0.26180245144759 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.486022480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.389827479999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.822156460000000 Atomic positions (fractional): 1 Mg 0.26528287629451 0.37500000000000 0.00041059126814 24.305 > 1 2 Mg 0.26528287629451 0.87500000000000 0.00041059126814 24.305 > 1 3 Mg 0.26528287629451 0.37500000000000 0.50041059126814 24.305 > 1 4 Mg 0.26528287629451 0.87500000000000 0.50041059126814 24.305 > 1 5 Mg 0.23471712370549 0.12500000000000 0.25041059126814 24.305 > 5 6 Mg 0.23471712370549 0.62500000000000 0.25041059126814 24.305 > 5 7 Mg 0.23471712370549 0.12500000000000 0.75041059126814 24.305 > 5 8 Mg 0.23471712370549 0.62500000000000 0.75041059126814 24.305 > 5 9 Mg 0.73471712370549 0.12500000000000 0.49958940873186 24.305 > 9 10 Mg 0.73471712370549 0.62500000000000 0.49958940873186 24.305 > 9 11 Mg 0.73471712370549 0.12500000000000 0.99958940873186 24.305 > 9 12 Mg 0.73471712370549 0.62500000000000 0.99958940873186 24.305 > 9 13 Mg 0.76528287629451 0.37500000000000 0.24958940873186 24.305 > 13 14 Mg 0.76528287629451 0.87500000000000 0.24958940873186 24.305 > 13 15 Mg 0.76528287629451 0.37500000000000 0.74958940873186 24.305 > 13 16 Mg 0.76528287629451 0.87500000000000 0.74958940873186 24.305 > 13 17 Al 0.08492330962304 0.37500000000000 0.29518190973973 26.982 > 17 18 Al 0.08492330962304 0.87500000000000 0.29518190973973 26.982 > 17 19 Al 0.08492330962304 0.37500000000000 0.79518190973973 26.982 > 17 20 Al 0.08492330962304 0.87500000000000 0.79518190973973 26.982 > 17 21 Al 0.41507669037696 0.12500000000000 0.04518190973973 26.982 > 21 22 Al 0.41507669037696 0.62500000000000 0.04518190973973 26.982 > 21 23 Al 0.41507669037696 0.12500000000000 0.54518190973973 26.982 > 21 24 Al 0.41507669037696 0.62500000000000 0.54518190973973 26.982 > 21 25 Al 0.91507669037696 0.12500000000000 0.20481809026027 26.982 > 25 26 Al 0.91507669037696 0.62500000000000 0.20481809026027 26.982 > 25 27 Al 0.91507669037696 0.12500000000000 0.70481809026027 26.982 > 25 28 Al 0.91507669037696 0.62500000000000 0.70481809026027 26.982 > 25 29 Al 0.58492330962304 0.37500000000000 0.45481809026027 26.982 > 29 30 Al 0.58492330962304 0.87500000000000 0.45481809026027 26.982 > 29 31 Al 0.58492330962304 0.37500000000000 0.95481809026027 26.982 > 29 32 Al 0.58492330962304 0.87500000000000 0.95481809026027 26.982 > 29 33 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 33 34 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 33 35 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 33 36 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 33 37 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 37 38 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 37 39 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 37 40 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 37 41 Al 0.00000000000000 0.25000000000000 0.00000000000000 26.982 > 41 42 Al 0.00000000000000 0.75000000000000 0.00000000000000 26.982 > 41 43 Al 0.00000000000000 0.25000000000000 0.50000000000000 26.982 > 41 44 Al 0.00000000000000 0.75000000000000 0.50000000000000 26.982 > 41 45 Al 0.50000000000000 0.25000000000000 0.25000000000000 26.982 > 45 46 Al 0.50000000000000 0.75000000000000 0.25000000000000 26.982 > 45 47 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 45 48 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 45 49 S 0.08444224418297 0.37500000000000 0.10601526424559 32.065 > 49 50 S 0.08444224418297 0.87500000000000 0.10601526424559 32.065 > 49 51 S 0.08444224418297 0.37500000000000 0.60601526424559 32.065 > 49 52 S 0.08444224418297 0.87500000000000 0.60601526424559 32.065 > 49 53 S 0.41555775581703 0.12500000000000 0.35601526424559 32.065 > 53 54 S 0.41555775581703 0.62500000000000 0.35601526424559 32.065 > 53 55 S 0.41555775581703 0.12500000000000 0.85601526424559 32.065 > 53 56 S 0.41555775581703 0.62500000000000 0.85601526424559 32.065 > 53 57 S 0.91555775581703 0.12500000000000 0.39398473575441 32.065 > 57 58 S 0.91555775581703 0.62500000000000 0.39398473575441 32.065 > 57 59 S 0.91555775581703 0.12500000000000 0.89398473575441 32.065 > 57 60 S 0.91555775581703 0.62500000000000 0.89398473575441 32.065 > 57 61 S 0.58444224418297 0.37500000000000 0.14398473575441 32.065 > 61 62 S 0.58444224418297 0.87500000000000 0.14398473575441 32.065 > 61 63 S 0.58444224418297 0.37500000000000 0.64398473575441 32.065 > 61 64 S 0.58444224418297 0.87500000000000 0.64398473575441 32.065 > 61 65 S 0.42501889655233 0.37500000000000 0.36384821460874 32.065 > 65 66 S 0.42501889655233 0.87500000000000 0.36384821460874 32.065 > 65 67 S 0.42501889655233 0.37500000000000 0.86384821460874 32.065 > 65 68 S 0.42501889655233 0.87500000000000 0.86384821460874 32.065 > 65 69 S 0.07498110344767 0.12500000000000 0.11384821460874 32.065 > 69 70 S 0.07498110344767 0.62500000000000 0.11384821460874 32.065 > 69 71 S 0.07498110344767 0.12500000000000 0.61384821460874 32.065 > 69 72 S 0.07498110344767 0.62500000000000 0.61384821460874 32.065 > 69 73 S 0.57498110344767 0.12500000000000 0.13615178539126 32.065 > 73 74 S 0.57498110344767 0.62500000000000 0.13615178539126 32.065 > 73 75 S 0.57498110344767 0.12500000000000 0.63615178539126 32.065 > 73 76 S 0.57498110344767 0.62500000000000 0.63615178539126 32.065 > 73 77 S 0.92501889655233 0.37500000000000 0.38615178539126 32.065 > 77 78 S 0.92501889655233 0.87500000000000 0.38615178539126 32.065 > 77 79 S 0.92501889655233 0.37500000000000 0.88615178539126 32.065 > 77 80 S 0.92501889655233 0.87500000000000 0.88615178539126 32.065 > 77 81 S 0.15861252240004 0.49836667361844 0.38090122572380 32.065 > 81 82 S 0.15861252240004 0.99836667361844 0.38090122572380 32.065 > 81 83 S 0.15861252240004 0.49836667361844 0.88090122572380 32.065 > 81 84 S 0.15861252240004 0.99836667361844 0.88090122572380 32.065 > 81 85 S 0.34138747759996 0.00163332638156 0.13090122572380 32.065 > 85 86 S 0.34138747759996 0.50163332638156 0.13090122572380 32.065 > 85 87 S 0.34138747759996 0.00163332638156 0.63090122572380 32.065 > 85 88 S 0.34138747759996 0.50163332638156 0.63090122572380 32.065 > 85 89 S 0.84138747759996 0.24836667361844 0.11909877427620 32.065 > 89 90 S 0.84138747759996 0.74836667361844 0.11909877427620 32.065 > 89 91 S 0.84138747759996 0.24836667361844 0.61909877427620 32.065 > 89 92 S 0.84138747759996 0.74836667361844 0.61909877427620 32.065 > 89 93 S 0.65861252240004 0.25163332638156 0.36909877427620 32.065 > 93 94 S 0.65861252240004 0.75163332638156 0.36909877427620 32.065 > 93 95 S 0.65861252240004 0.25163332638156 0.86909877427620 32.065 > 93 96 S 0.65861252240004 0.75163332638156 0.86909877427620 32.065 > 93 97 S 0.84138747759996 0.00163332638156 0.11909877427620 32.065 > 97 98 S 0.84138747759996 0.50163332638156 0.11909877427620 32.065 > 97 99 S 0.84138747759996 0.00163332638156 0.61909877427620 32.065 > 97 100 S 0.84138747759996 0.50163332638156 0.61909877427620 32.065 > 97 101 S 0.65861252240004 0.49836667361844 0.36909877427620 32.065 > 101 102 S 0.65861252240004 0.99836667361844 0.36909877427620 32.065 > 101 103 S 0.65861252240004 0.49836667361844 0.86909877427620 32.065 > 101 104 S 0.65861252240004 0.99836667361844 0.86909877427620 32.065 > 101 105 S 0.15861252240004 0.25163332638156 0.38090122572380 32.065 > 105 106 S 0.15861252240004 0.75163332638156 0.38090122572380 32.065 > 105 107 S 0.15861252240004 0.25163332638156 0.88090122572380 32.065 > 105 108 S 0.15861252240004 0.75163332638156 0.88090122572380 32.065 > 105 109 S 0.34138747759996 0.24836667361844 0.13090122572380 32.065 > 109 110 S 0.34138747759996 0.74836667361844 0.13090122572380 32.065 > 109 111 S 0.34138747759996 0.24836667361844 0.63090122572380 32.065 > 109 112 S 0.34138747759996 0.74836667361844 0.63090122572380 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2961739 0.0000000 0.0000000 0.0000000 5.6940537 0.0000000 0.0000000 0.0000000 6.0204749 -------------------------- Born effective charges -------------------------- 1 Mg 2.8116067 0.0000000 0.2358658 0.0000000 2.2527543 0.0000000 0.0204988 0.0000000 2.2474739 2 Mg 2.8116067 0.0000000 -0.2358658 0.0000000 2.2527543 0.0000000 -0.0204988 0.0000000 2.2474739 3 Mg 2.8116067 0.0000000 0.2358658 0.0000000 2.2527543 0.0000000 0.0204988 0.0000000 2.2474739 4 Mg 2.8116067 0.0000000 -0.2358658 0.0000000 2.2527543 0.0000000 -0.0204988 0.0000000 2.2474739 5 Al 1.7681758 0.0000000 0.0567945 0.0000000 2.2703494 0.0000000 -0.0834621 0.0000000 3.2328552 6 Al 1.7681758 0.0000000 -0.0567945 0.0000000 2.2703494 0.0000000 0.0834621 0.0000000 3.2328552 7 Al 1.7681758 0.0000000 0.0567945 0.0000000 2.2703494 0.0000000 -0.0834621 0.0000000 3.2328552 8 Al 1.7681758 0.0000000 -0.0567945 0.0000000 2.2703494 0.0000000 0.0834621 0.0000000 3.2328552 9 Al 2.5710728 -0.3754782 -0.3563884 -0.3577435 3.5167763 0.2582225 -0.1564366 -0.0331307 3.0195039 10 Al 2.5710728 -0.3754782 0.3563884 -0.3577435 3.5167763 -0.2582225 0.1564366 0.0331307 3.0195039 11 Al 2.5710728 0.3754782 -0.3563884 0.3577435 3.5167763 -0.2582225 -0.1564366 0.0331307 3.0195039 12 Al 2.5710728 0.3754782 0.3563884 0.3577435 3.5167763 0.2582225 0.1564366 -0.0331307 3.0195039 13 S -1.4550662 0.0000000 -0.1408913 0.0000000 -1.8729522 0.0000000 -0.1664370 0.0000000 -2.7136111 14 S -1.4550662 0.0000000 0.1408913 0.0000000 -1.8729522 0.0000000 0.1664370 0.0000000 -2.7136111 15 S -1.4550662 0.0000000 -0.1408913 0.0000000 -1.8729522 0.0000000 -0.1664370 0.0000000 -2.7136111 16 S -1.4550662 0.0000000 0.1408913 0.0000000 -1.8729522 0.0000000 0.1664370 0.0000000 -2.7136111 17 S -1.9666619 0.0000000 0.1515439 0.0000000 -1.9082679 0.0000000 0.2484906 0.0000000 -1.9481288 18 S -1.9666619 0.0000000 -0.1515439 0.0000000 -1.9082679 0.0000000 -0.2484906 0.0000000 -1.9481288 19 S -1.9666619 0.0000000 0.1515439 0.0000000 -1.9082679 0.0000000 0.2484906 0.0000000 -1.9481288 20 S -1.9666619 0.0000000 -0.1515439 0.0000000 -1.9082679 0.0000000 -0.2484906 0.0000000 -1.9481288 21 S -1.8645636 -0.2125712 0.1793405 -0.2546517 -2.1293299 0.0387021 0.2228964 0.1534016 -1.9190465 22 S -1.8645636 -0.2125712 -0.1793405 -0.2546517 -2.1293299 -0.0387021 -0.2228964 -0.1534016 -1.9190465 23 S -1.8645636 0.2125712 0.1793405 0.2546517 -2.1293299 -0.0387021 0.2228964 -0.1534016 -1.9190465 24 S -1.8645636 0.2125712 -0.1793405 0.2546517 -2.1293299 0.0387021 -0.2228964 0.1534016 -1.9190465 25 S -1.8645636 -0.2125712 0.1793405 -0.2546517 -2.1293299 0.0387021 0.2228964 0.1534016 -1.9190465 26 S -1.8645636 -0.2125712 -0.1793405 -0.2546517 -2.1293299 -0.0387021 -0.2228964 -0.1534016 -1.9190465 27 S -1.8645636 0.2125712 0.1793405 0.2546517 -2.1293299 -0.0387021 0.2228964 -0.1534016 -1.9190465 28 S -1.8645636 0.2125712 -0.1793405 0.2546517 -2.1293299 0.0387021 -0.2228964 0.1534016 -1.9190465 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 4 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.463 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.201 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.696 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.747 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 8.942 ( 0.000 0.000 0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 8.978 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 9.786 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 10.463 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.086 ( 0.000 0.000 0.000) 0.000 11.687 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.527 ( 0.000 0.000 0.000) 0.000 12.605 ( 0.000 0.000 0.000) 0.000 13.280 ( 0.000 0.000 0.000) 0.000 13.376 ( 0.000 0.000 0.000) 0.000 13.631 ( 0.000 0.000 0.000) 0.000 13.801 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.615 ( 0.000 0.000 0.000) 0.000 14.650 ( 0.000 0.000 0.000) 0.000 14.777 ( 0.000 0.000 0.000) 0.000 14.869 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 33.093 0.000 0.000) 33.093 0.701 ( 34.506 0.000 0.000) 34.506 1.232 ( 60.131 0.000 0.000) 60.131 1.799 ( -19.305 0.000 0.000) 19.305 1.971 ( -26.844 0.000 0.000) 26.844 3.126 ( 9.493 0.000 0.000) 9.493 3.193 ( 16.416 0.000 0.000) 16.416 3.279 ( -34.124 0.000 0.000) 34.124 3.536 ( -4.507 0.000 0.000) 4.507 3.622 ( -11.550 0.000 0.000) 11.550 3.862 ( 14.520 0.000 0.000) 14.520 4.088 ( 5.713 0.000 0.000) 5.713 4.097 ( 1.913 0.000 0.000) 1.913 4.182 ( -3.002 0.000 0.000) 3.002 4.433 ( 6.882 0.000 0.000) 6.882 4.494 ( 1.496 0.000 0.000) 1.496 4.599 ( 2.089 0.000 0.000) 2.089 4.645 ( -13.493 0.000 0.000) 13.493 4.890 ( 1.373 0.000 0.000) 1.373 4.910 ( -0.311 0.000 0.000) 0.311 4.956 ( -8.920 0.000 0.000) 8.920 5.333 ( -11.990 0.000 0.000) 11.990 5.422 ( 0.378 0.000 0.000) 0.378 5.513 ( 3.059 0.000 0.000) 3.059 5.546 ( 0.301 0.000 0.000) 0.301 5.565 ( 0.476 0.000 0.000) 0.476 5.807 ( -0.792 0.000 0.000) 0.792 5.900 ( -11.825 0.000 0.000) 11.825 6.118 ( 5.477 0.000 0.000) 5.477 6.162 ( 0.880 0.000 0.000) 0.880 6.187 ( 15.372 0.000 0.000) 15.372 6.190 ( 0.297 0.000 0.000) 0.297 6.348 ( 5.529 0.000 0.000) 5.529 6.431 ( -4.145 0.000 0.000) 4.145 6.465 ( 1.204 0.000 0.000) 1.204 6.650 ( -0.567 0.000 0.000) 0.567 6.878 ( 11.502 0.000 0.000) 11.502 7.177 ( -13.325 0.000 0.000) 13.325 7.186 ( 8.756 0.000 0.000) 8.756 7.321 ( -8.289 0.000 0.000) 8.289 7.508 ( 6.195 0.000 0.000) 6.195 7.754 ( -13.724 0.000 0.000) 13.724 8.092 ( 7.840 0.000 0.000) 7.840 8.161 ( -4.503 0.000 0.000) 4.503 8.195 ( 6.778 0.000 0.000) 6.778 8.196 ( -2.852 0.000 0.000) 2.852 8.309 ( -0.642 0.000 0.000) 0.642 8.610 ( -9.578 0.000 0.000) 9.578 8.676 ( -1.302 0.000 0.000) 1.302 8.734 ( 1.113 0.000 0.000) 1.113 8.836 ( -5.947 0.000 0.000) 5.947 8.864 ( -2.563 0.000 0.000) 2.563 8.971 ( 0.956 0.000 0.000) 0.956 8.974 ( 0.068 0.000 0.000) 0.068 9.047 ( 2.950 0.000 0.000) 2.950 9.082 ( 0.557 0.000 0.000) 0.557 9.102 ( 6.924 0.000 0.000) 6.924 9.232 ( 2.334 0.000 0.000) 2.334 9.706 ( 9.481 0.000 0.000) 9.481 9.720 ( 0.767 0.000 0.000) 0.767 9.762 ( -0.921 0.000 0.000) 0.921 9.787 ( 0.396 0.000 0.000) 0.396 10.009 ( 1.475 0.000 0.000) 1.475 10.060 ( 0.205 0.000 0.000) 0.205 10.316 ( 1.466 0.000 0.000) 1.466 10.490 ( -2.039 0.000 0.000) 2.039 10.549 ( 7.053 0.000 0.000) 7.053 10.804 ( 1.122 0.000 0.000) 1.122 11.060 ( -2.407 0.000 0.000) 2.407 11.138 ( -8.761 0.000 0.000) 8.761 11.861 ( 1.945 0.000 0.000) 1.945 11.981 ( -2.777 0.000 0.000) 2.777 12.541 ( 1.283 0.000 0.000) 1.283 12.596 ( -0.887 0.000 0.000) 0.887 13.286 ( 0.677 0.000 0.000) 0.677 13.348 ( -2.181 0.000 0.000) 2.181 13.695 ( 5.511 0.000 0.000) 5.511 13.928 ( -4.069 0.000 0.000) 4.069 14.583 ( 0.094 0.000 0.000) 0.094 14.599 ( -0.864 0.000 0.000) 0.864 14.682 ( 2.309 0.000 0.000) 2.309 14.752 ( -0.838 0.000 0.000) 0.838 14.788 ( 1.093 0.000 0.000) 1.093 14.872 ( -2.119 0.000 0.000) 2.119 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -28.750 0.000 0.000) 28.750 1.305 ( 28.750 0.000 0.000) 28.750 1.371 ( -32.109 0.000 0.000) 32.109 1.371 ( 32.109 0.000 0.000) 32.109 2.377 ( -52.862 0.000 0.000) 52.862 2.377 ( 52.862 0.000 0.000) 52.862 3.363 ( -13.266 0.000 0.000) 13.266 3.363 ( 13.266 0.000 0.000) 13.266 3.432 ( -7.324 0.000 0.000) 7.324 3.432 ( 7.324 0.000 0.000) 7.324 4.112 ( -4.776 0.000 0.000) 4.776 4.112 ( 4.776 0.000 0.000) 4.776 4.258 ( -17.800 0.000 0.000) 17.800 4.258 ( 17.800 0.000 0.000) 17.800 4.310 ( -15.137 0.000 0.000) 15.137 4.310 ( 15.137 0.000 0.000) 15.137 4.593 ( -3.380 0.000 0.000) 3.380 4.593 ( 3.380 0.000 0.000) 3.380 4.908 ( -0.345 0.000 0.000) 0.345 4.908 ( 0.345 0.000 0.000) 0.345 5.045 ( -14.116 0.000 0.000) 14.116 5.045 ( 14.116 0.000 0.000) 14.116 5.480 ( -5.251 0.000 0.000) 5.251 5.480 ( 5.251 0.000 0.000) 5.251 5.559 ( -1.245 0.000 0.000) 1.245 5.559 ( 1.245 0.000 0.000) 1.245 5.791 ( -0.135 0.000 0.000) 0.135 5.791 ( 0.135 0.000 0.000) 0.135 6.181 ( -0.910 0.000 0.000) 0.910 6.181 ( 0.910 0.000 0.000) 0.910 6.267 ( -8.593 0.000 0.000) 8.593 6.267 ( 8.593 0.000 0.000) 8.593 6.461 ( -6.532 0.000 0.000) 6.532 6.461 ( 6.532 0.000 0.000) 6.532 6.512 ( -9.703 0.000 0.000) 9.703 6.512 ( 9.703 0.000 0.000) 9.703 6.959 ( -2.617 0.000 0.000) 2.617 6.959 ( 2.617 0.000 0.000) 2.617 7.457 ( -14.828 0.000 0.000) 14.828 7.457 ( 14.828 0.000 0.000) 14.828 7.458 ( -15.496 0.000 0.000) 15.496 7.458 ( 15.496 0.000 0.000) 15.496 8.074 ( -5.330 0.000 0.000) 5.330 8.074 ( 5.330 0.000 0.000) 5.330 8.229 ( -3.820 0.000 0.000) 3.820 8.229 ( 3.820 0.000 0.000) 3.820 8.444 ( -7.663 0.000 0.000) 7.663 8.444 ( 7.663 0.000 0.000) 7.663 8.694 ( -3.657 0.000 0.000) 3.657 8.694 ( 3.657 0.000 0.000) 3.657 8.807 ( -2.508 0.000 0.000) 2.508 8.807 ( 2.508 0.000 0.000) 2.508 8.977 ( -0.131 0.000 0.000) 0.131 8.977 ( 0.131 0.000 0.000) 0.131 9.083 ( -0.705 0.000 0.000) 0.705 9.083 ( 0.705 0.000 0.000) 0.705 9.221 ( -3.817 0.000 0.000) 3.817 9.221 ( 3.817 0.000 0.000) 3.817 9.740 ( -1.171 0.000 0.000) 1.171 9.740 ( 1.171 0.000 0.000) 1.171 9.798 ( -0.315 0.000 0.000) 0.315 9.798 ( 0.315 0.000 0.000) 0.315 10.042 ( -1.666 0.000 0.000) 1.666 10.042 ( 1.666 0.000 0.000) 1.666 10.416 ( -5.672 0.000 0.000) 5.672 10.416 ( 5.672 0.000 0.000) 5.672 10.732 ( -9.598 0.000 0.000) 9.598 10.732 ( 9.598 0.000 0.000) 9.598 11.019 ( -0.126 0.000 0.000) 0.126 11.019 ( 0.126 0.000 0.000) 0.126 11.916 ( -3.349 0.000 0.000) 3.349 11.916 ( 3.349 0.000 0.000) 3.349 12.571 ( -1.517 0.000 0.000) 1.517 12.571 ( 1.517 0.000 0.000) 1.517 13.308 ( -1.573 0.000 0.000) 1.573 13.308 ( 1.573 0.000 0.000) 1.573 13.820 ( -6.327 0.000 0.000) 6.327 13.820 ( 6.327 0.000 0.000) 6.327 14.587 ( -0.364 0.000 0.000) 0.364 14.587 ( 0.364 0.000 0.000) 0.364 14.726 ( -1.805 0.000 0.000) 1.805 14.726 ( 1.805 0.000 0.000) 1.805 14.823 ( -2.370 0.000 0.000) 2.370 14.823 ( 2.370 0.000 0.000) 2.370 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.000 34.247 0.000) 34.247 0.678 ( 0.000 34.474 0.000) 34.474 1.324 ( 0.000 64.988 0.000) 64.988 2.296 ( 0.000 25.052 0.000) 25.052 2.370 ( 0.000 5.318 0.000) 5.318 2.991 ( 0.000 4.899 0.000) 4.899 3.005 ( 0.000 -1.845 0.000) 1.845 3.391 ( 0.000 -9.420 0.000) 9.420 3.769 ( 0.000 -2.243 0.000) 2.243 3.828 ( 0.000 12.147 0.000) 12.147 3.856 ( 0.000 -1.438 0.000) 1.438 3.956 ( 0.000 -6.140 0.000) 6.140 4.079 ( 0.000 1.907 0.000) 1.907 4.278 ( 0.000 -0.150 0.000) 0.150 4.306 ( 0.000 6.549 0.000) 6.549 4.448 ( 0.000 1.168 0.000) 1.168 4.534 ( 0.000 -1.297 0.000) 1.297 4.713 ( 0.000 -12.331 0.000) 12.331 4.834 ( 0.000 3.283 0.000) 3.283 4.835 ( 0.000 -2.115 0.000) 2.115 5.237 ( 0.000 9.680 0.000) 9.680 5.490 ( 0.000 -4.543 0.000) 4.543 5.496 ( 0.000 1.960 0.000) 1.960 5.557 ( 0.000 8.999 0.000) 8.999 5.582 ( 0.000 1.272 0.000) 1.272 5.664 ( 0.000 10.895 0.000) 10.895 5.892 ( 0.000 6.330 0.000) 6.330 5.939 ( 0.000 7.487 0.000) 7.487 5.980 ( 0.000 -0.001 0.000) 0.001 6.204 ( 0.000 -1.947 0.000) 1.947 6.256 ( 0.000 6.244 0.000) 6.244 6.387 ( 0.000 1.849 0.000) 1.849 6.399 ( 0.000 -5.024 0.000) 5.024 6.402 ( 0.000 10.750 0.000) 10.750 6.536 ( 0.000 10.842 0.000) 10.842 6.580 ( 0.000 20.163 0.000) 20.163 6.707 ( 0.000 -5.021 0.000) 5.021 6.982 ( 0.000 -5.378 0.000) 5.378 7.199 ( 0.000 -3.131 0.000) 3.131 7.371 ( 0.000 -8.863 0.000) 8.863 7.467 ( 0.000 9.505 0.000) 9.505 7.875 ( 0.000 -13.907 0.000) 13.907 7.894 ( 0.000 -11.895 0.000) 11.895 8.075 ( 0.000 -0.581 0.000) 0.581 8.164 ( 0.000 -2.035 0.000) 2.035 8.179 ( 0.000 5.040 0.000) 5.040 8.405 ( 0.000 -3.631 0.000) 3.631 8.408 ( 0.000 -3.784 0.000) 3.784 8.629 ( 0.000 -3.920 0.000) 3.920 8.666 ( 0.000 -7.205 0.000) 7.205 8.666 ( 0.000 -5.803 0.000) 5.803 8.746 ( 0.000 -12.264 0.000) 12.264 8.822 ( 0.000 -2.292 0.000) 2.292 8.888 ( 0.000 -5.200 0.000) 5.200 9.071 ( 0.000 4.697 0.000) 4.697 9.148 ( 0.000 4.498 0.000) 4.498 9.209 ( 0.000 0.721 0.000) 0.721 9.263 ( 0.000 9.332 0.000) 9.332 9.587 ( 0.000 2.531 0.000) 2.531 9.626 ( 0.000 -2.855 0.000) 2.855 9.770 ( 0.000 -1.483 0.000) 1.483 9.791 ( 0.000 1.075 0.000) 1.075 9.972 ( 0.000 -8.045 0.000) 8.045 10.131 ( 0.000 1.432 0.000) 1.432 10.329 ( 0.000 -0.161 0.000) 0.161 10.449 ( 0.000 -1.408 0.000) 1.408 10.706 ( 0.000 -6.565 0.000) 6.565 10.867 ( 0.000 -8.798 0.000) 8.798 11.137 ( 0.000 5.292 0.000) 5.292 11.292 ( 0.000 5.447 0.000) 5.447 11.628 ( 0.000 -4.924 0.000) 4.924 11.979 ( 0.000 -3.293 0.000) 3.293 12.544 ( 0.000 1.769 0.000) 1.769 12.622 ( 0.000 1.829 0.000) 1.829 13.241 ( 0.000 -4.009 0.000) 4.009 13.448 ( 0.000 -12.932 0.000) 12.932 13.968 ( 0.000 11.206 0.000) 11.206 14.041 ( 0.000 6.606 0.000) 6.606 14.566 ( 0.000 -1.554 0.000) 1.554 14.604 ( 0.000 -1.019 0.000) 1.019 14.619 ( 0.000 -3.031 0.000) 3.031 14.742 ( 0.000 -3.084 0.000) 3.084 14.826 ( 0.000 -0.272 0.000) 0.272 14.839 ( 0.000 -2.710 0.000) 2.710 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 24.544 22.975 0.000) 33.619 1.004 ( 25.597 22.950 0.000) 34.379 1.758 ( 37.418 46.171 0.000) 59.429 2.051 ( -24.679 8.571 0.000) 26.125 2.052 ( -20.929 20.740 0.000) 29.465 3.057 ( -2.271 1.177 0.000) 2.558 3.196 ( 12.624 0.022 0.000) 12.624 3.381 ( -0.735 -11.023 0.000) 11.048 3.603 ( -15.778 21.095 0.000) 26.343 3.734 ( -9.650 3.945 0.000) 10.425 3.878 ( 7.960 -3.557 0.000) 8.719 3.992 ( 4.299 -6.417 0.000) 7.724 4.093 ( 2.132 1.602 0.000) 2.667 4.211 ( -4.481 1.008 0.000) 4.593 4.360 ( 2.654 -1.667 0.000) 3.134 4.484 ( -3.210 -6.661 0.000) 7.394 4.551 ( 7.174 3.566 0.000) 8.012 4.719 ( -8.843 6.022 0.000) 10.699 4.752 ( 2.759 -8.825 0.000) 9.246 4.830 ( -1.073 -2.431 0.000) 2.657 5.085 ( -8.379 10.742 0.000) 13.624 5.392 ( -1.244 0.035 0.000) 1.244 5.415 ( -8.357 -1.096 0.000) 8.429 5.595 ( 0.558 4.198 0.000) 4.235 5.686 ( 0.106 10.659 0.000) 10.660 5.695 ( 4.683 10.970 0.000) 11.928 5.753 ( -10.026 -0.608 0.000) 10.045 5.853 ( -3.540 2.573 0.000) 4.376 6.151 ( 10.637 -0.196 0.000) 10.638 6.274 ( 1.227 7.205 0.000) 7.309 6.340 ( 6.769 10.118 0.000) 12.174 6.373 ( 0.512 9.386 0.000) 9.400 6.410 ( 2.789 6.535 0.000) 7.105 6.410 ( 3.888 -3.546 0.000) 5.262 6.522 ( -2.913 9.369 0.000) 9.812 6.653 ( 4.063 7.147 0.000) 8.221 6.853 ( 13.256 -1.206 0.000) 13.311 6.984 ( 0.200 -9.337 0.000) 9.339 7.161 ( -7.383 -3.488 0.000) 8.166 7.260 ( -6.675 -5.423 0.000) 8.600 7.603 ( -14.671 -14.383 0.000) 20.545 7.632 ( 11.615 9.306 0.000) 14.883 8.016 ( -7.312 -3.848 0.000) 8.263 8.082 ( 5.402 -9.867 0.000) 11.249 8.192 ( 2.531 -1.562 0.000) 2.974 8.216 ( -2.424 1.912 0.000) 3.088 8.250 ( 7.348 -3.284 0.000) 8.048 8.553 ( -5.909 -3.739 0.000) 6.993 8.643 ( 3.830 -8.144 0.000) 8.999 8.680 ( -0.499 -3.280 0.000) 3.318 8.720 ( -1.874 -13.373 0.000) 13.504 8.756 ( -3.590 -6.119 0.000) 7.095 8.786 ( 11.058 -6.668 0.000) 12.913 8.929 ( 1.911 -6.004 0.000) 6.301 9.032 ( -3.629 4.753 0.000) 5.980 9.036 ( -5.628 3.848 0.000) 6.818 9.259 ( 1.203 5.653 0.000) 5.779 9.267 ( 2.285 1.501 0.000) 2.734 9.653 ( 2.175 -3.329 0.000) 3.977 9.690 ( 4.267 -0.017 0.000) 4.267 9.785 ( 1.253 -1.383 0.000) 1.866 9.805 ( 1.937 1.389 0.000) 2.384 9.993 ( 3.216 -7.186 0.000) 7.873 10.116 ( -1.180 2.828 0.000) 3.064 10.318 ( 0.905 0.738 0.000) 1.167 10.525 ( 6.200 -2.422 0.000) 6.656 10.608 ( -9.915 -0.206 0.000) 9.918 10.767 ( -3.486 -5.630 0.000) 6.622 11.121 ( -1.385 6.160 0.000) 6.314 11.191 ( -6.433 6.797 0.000) 9.358 11.749 ( 6.701 -7.167 0.000) 9.812 11.945 ( -3.189 -3.546 0.000) 4.769 12.556 ( 1.174 1.711 0.000) 2.075 12.612 ( -0.997 1.731 0.000) 1.998 13.251 ( 0.975 -3.917 0.000) 4.036 13.366 ( -5.508 -6.150 0.000) 8.256 13.910 ( -0.986 16.073 0.000) 16.103 14.012 ( -2.758 7.726 0.000) 8.203 14.571 ( 0.350 -1.422 0.000) 1.465 14.590 ( -0.728 -0.831 0.000) 1.105 14.642 ( 1.577 -3.800 0.000) 4.115 14.729 ( -3.787 -1.345 0.000) 4.019 14.758 ( 1.619 -2.505 0.000) 2.983 14.847 ( -1.561 -2.056 0.000) 2.581 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -13.773 13.762 0.000) 19.470 1.478 ( 13.773 13.762 0.000) 19.470 1.579 ( -12.653 18.597 0.000) 22.493 1.579 ( 12.653 18.597 0.000) 22.493 2.582 ( -39.742 21.529 0.000) 45.198 2.582 ( 39.742 21.529 0.000) 45.198 3.352 ( -3.177 -8.227 0.000) 8.819 3.352 ( 3.177 -8.227 0.000) 8.819 3.544 ( -7.533 14.263 0.000) 16.130 3.544 ( 7.533 14.263 0.000) 16.130 4.032 ( -4.662 -8.711 0.000) 9.880 4.032 ( 4.662 -8.711 0.000) 9.880 4.163 ( -1.889 -0.628 0.000) 1.991 4.163 ( 1.889 -0.628 0.000) 1.991 4.382 ( -3.767 -3.120 0.000) 4.891 4.382 ( 3.767 -3.120 0.000) 4.891 4.610 ( -1.045 6.614 0.000) 6.696 4.610 ( 1.045 6.614 0.000) 6.696 4.798 ( -1.839 -4.838 0.000) 5.176 4.798 ( 1.839 -4.838 0.000) 5.176 5.169 ( -14.099 8.343 0.000) 16.382 5.169 ( 14.099 8.343 0.000) 16.382 5.450 ( -6.786 -0.412 0.000) 6.799 5.450 ( 6.786 -0.412 0.000) 6.799 5.722 ( -0.804 12.992 0.000) 13.017 5.722 ( 0.804 12.992 0.000) 13.017 5.756 ( -5.564 -4.473 0.000) 7.139 5.756 ( 5.564 -4.473 0.000) 7.139 6.270 ( -1.338 2.201 0.000) 2.576 6.270 ( 1.338 2.201 0.000) 2.576 6.398 ( -0.899 10.591 0.000) 10.629 6.398 ( 0.899 10.591 0.000) 10.629 6.470 ( -0.407 6.898 0.000) 6.910 6.470 ( 0.407 6.898 0.000) 6.910 6.596 ( -8.705 7.569 0.000) 11.536 6.596 ( 8.705 7.569 0.000) 11.536 6.949 ( -0.886 -0.849 0.000) 1.227 6.949 ( 0.886 -0.849 0.000) 1.227 7.216 ( -10.002 -14.006 0.000) 17.211 7.216 ( 10.002 -14.006 0.000) 17.211 7.515 ( -15.010 -1.208 0.000) 15.058 7.515 ( 15.010 -1.208 0.000) 15.058 8.051 ( -6.705 -1.207 0.000) 6.813 8.051 ( 6.705 -1.207 0.000) 6.813 8.232 ( -0.943 -1.324 0.000) 1.626 8.232 ( 0.943 -1.324 0.000) 1.626 8.413 ( -7.629 -3.020 0.000) 8.205 8.413 ( 7.629 -3.020 0.000) 8.205 8.666 ( -0.810 -4.618 0.000) 4.688 8.666 ( 0.810 -4.618 0.000) 4.688 8.705 ( -2.195 -9.347 0.000) 9.601 8.705 ( 2.195 -9.347 0.000) 9.601 8.929 ( -2.793 -7.818 0.000) 8.302 8.929 ( 2.793 -7.818 0.000) 8.302 8.981 ( -0.221 2.295 0.000) 2.306 8.981 ( 0.221 2.295 0.000) 2.306 9.286 ( -0.499 2.316 0.000) 2.369 9.286 ( 0.499 2.316 0.000) 2.369 9.696 ( -1.750 -2.235 0.000) 2.838 9.696 ( 1.750 -2.235 0.000) 2.838 9.813 ( -1.261 -1.110 0.000) 1.680 9.813 ( 1.261 -1.110 0.000) 1.680 10.080 ( -3.094 0.558 0.000) 3.144 10.080 ( 3.094 0.558 0.000) 3.144 10.417 ( -8.406 -0.745 0.000) 8.439 10.417 ( 8.406 -0.745 0.000) 8.439 10.668 ( -7.157 -5.648 0.000) 9.117 10.668 ( 7.157 -5.648 0.000) 9.117 11.107 ( -1.071 8.270 0.000) 8.339 11.107 ( 1.071 8.270 0.000) 8.339 11.862 ( -4.907 -4.755 0.000) 6.833 11.862 ( 4.907 -4.755 0.000) 6.833 12.585 ( -1.545 1.627 0.000) 2.244 12.585 ( 1.545 1.627 0.000) 2.244 13.285 ( -2.627 -3.850 0.000) 4.661 13.285 ( 2.627 -3.850 0.000) 4.661 13.945 ( -3.348 11.140 0.000) 11.632 13.945 ( 3.348 11.140 0.000) 11.632 14.579 ( -0.437 -0.916 0.000) 1.014 14.579 ( 0.437 -0.916 0.000) 1.014 14.677 ( -1.937 -3.999 0.000) 4.443 14.677 ( 1.937 -3.999 0.000) 4.443 14.802 ( -2.554 -1.865 0.000) 3.163 14.802 ( 2.554 -1.865 0.000) 3.163 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.000 36.159 0.000) 36.159 1.368 ( 0.000 34.909 0.000) 34.909 2.538 ( 0.000 55.299 0.000) 55.299 2.550 ( 0.000 13.015 0.000) 13.015 2.777 ( 0.000 16.579 0.000) 16.579 2.959 ( 0.000 -2.383 0.000) 2.383 3.046 ( 0.000 -4.275 0.000) 4.275 3.223 ( 0.000 -10.434 0.000) 10.434 3.560 ( 0.000 -8.903 0.000) 8.903 3.648 ( 0.000 -8.910 0.000) 8.910 3.770 ( 0.000 -12.472 0.000) 12.472 4.005 ( 0.000 1.804 0.000) 1.804 4.207 ( 0.000 8.879 0.000) 8.879 4.353 ( 0.000 -10.215 0.000) 10.215 4.468 ( 0.000 0.397 0.000) 0.397 4.490 ( 0.000 -3.171 0.000) 3.171 4.509 ( 0.000 16.944 0.000) 16.944 4.662 ( 0.000 15.922 0.000) 15.922 4.913 ( 0.000 8.180 0.000) 8.180 4.987 ( 0.000 10.597 0.000) 10.597 5.375 ( 0.000 -7.060 0.000) 7.060 5.430 ( 0.000 6.986 0.000) 6.986 5.576 ( 0.000 5.307 0.000) 5.307 5.604 ( 0.000 11.162 0.000) 11.162 5.706 ( 0.000 5.375 0.000) 5.375 5.710 ( 0.000 -19.385 0.000) 19.385 5.979 ( 0.000 2.262 0.000) 2.262 5.987 ( 0.000 1.034 0.000) 1.034 6.005 ( 0.000 4.435 0.000) 4.435 6.233 ( 0.000 12.271 0.000) 12.271 6.352 ( 0.000 1.368 0.000) 1.368 6.366 ( 0.000 1.795 0.000) 1.795 6.584 ( 0.000 -3.604 0.000) 3.604 6.664 ( 0.000 21.320 0.000) 21.320 6.711 ( 0.000 18.498 0.000) 18.498 6.811 ( 0.000 10.484 0.000) 10.484 6.886 ( 0.000 -4.849 0.000) 4.849 6.983 ( 0.000 -18.053 0.000) 18.053 7.078 ( 0.000 25.420 0.000) 25.420 7.153 ( 0.000 -11.843 0.000) 11.843 7.541 ( 0.000 -22.220 0.000) 22.220 7.557 ( 0.000 -13.418 0.000) 13.418 7.675 ( 0.000 10.455 0.000) 10.455 8.058 ( 0.000 -1.343 0.000) 1.343 8.137 ( 0.000 -0.353 0.000) 0.353 8.256 ( 0.000 -3.243 0.000) 3.243 8.308 ( 0.000 -5.561 0.000) 5.561 8.343 ( 0.000 2.878 0.000) 2.878 8.501 ( 0.000 -8.859 0.000) 8.859 8.548 ( 0.000 -3.906 0.000) 3.906 8.554 ( 0.000 -6.849 0.000) 6.849 8.568 ( 0.000 -2.457 0.000) 2.457 8.799 ( 0.000 -0.693 0.000) 0.693 8.827 ( 0.000 -0.300 0.000) 0.300 9.117 ( 0.000 -0.671 0.000) 0.671 9.177 ( 0.000 -1.821 0.000) 1.821 9.237 ( 0.000 2.272 0.000) 2.272 9.394 ( 0.000 4.112 0.000) 4.112 9.540 ( 0.000 -5.582 0.000) 5.582 9.632 ( 0.000 0.284 0.000) 0.284 9.736 ( 0.000 -1.557 0.000) 1.557 9.764 ( 0.000 -10.397 0.000) 10.397 9.789 ( 0.000 -1.188 0.000) 1.188 10.103 ( 0.000 -6.123 0.000) 6.123 10.332 ( 0.000 0.264 0.000) 0.264 10.411 ( 0.000 -2.296 0.000) 2.296 10.568 ( 0.000 -6.530 0.000) 6.530 10.623 ( 0.000 -13.410 0.000) 13.410 11.294 ( 0.000 10.012 0.000) 10.012 11.401 ( 0.000 4.994 0.000) 4.994 11.545 ( 0.000 -2.650 0.000) 2.650 11.881 ( 0.000 -6.622 0.000) 6.622 12.602 ( 0.000 4.225 0.000) 4.225 12.682 ( 0.000 4.310 0.000) 4.310 13.120 ( 0.000 -7.920 0.000) 7.920 13.173 ( 0.000 -14.161 0.000) 14.161 14.188 ( 0.000 10.443 0.000) 10.443 14.203 ( 0.000 8.846 0.000) 8.846 14.525 ( 0.000 -2.525 0.000) 2.525 14.545 ( 0.000 -3.902 0.000) 3.902 14.581 ( 0.000 -1.139 0.000) 1.139 14.674 ( 0.000 -3.586 0.000) 3.586 14.781 ( 0.000 -2.559 0.000) 2.559 14.813 ( 0.000 -1.205 0.000) 1.205 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 14.171 27.811 0.000) 31.213 1.516 ( 14.371 31.890 0.000) 34.978 2.307 ( -18.995 17.389 0.000) 25.753 2.415 ( -24.143 13.633 0.000) 27.726 2.747 ( 17.876 46.018 0.000) 49.368 3.088 ( 0.232 -9.975 0.000) 9.978 3.102 ( 1.403 -12.059 0.000) 12.140 3.205 ( 1.124 -2.532 0.000) 2.770 3.633 ( 6.584 -7.981 0.000) 10.347 3.670 ( 3.384 -2.247 0.000) 4.062 3.796 ( 2.156 -12.350 0.000) 12.537 4.011 ( -3.225 9.449 0.000) 9.984 4.207 ( 1.063 7.737 0.000) 7.810 4.244 ( -6.493 -6.506 0.000) 9.192 4.441 ( -10.994 8.404 0.000) 13.838 4.469 ( -0.410 12.302 0.000) 12.309 4.659 ( 10.822 6.628 0.000) 12.691 4.672 ( 9.254 3.558 0.000) 9.914 4.876 ( -8.151 8.543 0.000) 11.807 4.907 ( -1.709 8.332 0.000) 8.505 5.328 ( -4.099 -4.720 0.000) 6.251 5.342 ( -10.851 14.947 0.000) 18.470 5.412 ( -2.363 1.748 0.000) 2.939 5.518 ( 2.718 -4.758 0.000) 5.480 5.774 ( -1.784 -2.851 0.000) 3.363 5.903 ( -11.811 2.655 0.000) 12.105 5.943 ( -1.209 5.580 0.000) 5.709 5.962 ( 5.506 10.913 0.000) 12.223 6.130 ( 1.463 -9.042 0.000) 9.159 6.154 ( 6.350 -0.066 0.000) 6.351 6.268 ( -0.909 -3.617 0.000) 3.729 6.425 ( 5.926 -2.751 0.000) 6.534 6.588 ( 2.854 6.461 0.000) 7.063 6.692 ( 1.168 18.971 0.000) 19.007 6.767 ( 2.873 13.817 0.000) 14.113 6.883 ( -0.566 -1.389 0.000) 1.500 6.923 ( 9.799 6.981 0.000) 12.031 7.007 ( -2.871 -2.991 0.000) 4.146 7.095 ( 2.309 17.841 0.000) 17.990 7.142 ( -2.304 -4.436 0.000) 4.999 7.312 ( -6.640 -9.545 0.000) 11.627 7.788 ( 10.578 -18.294 0.000) 21.132 7.802 ( 5.176 6.693 0.000) 8.461 7.961 ( -12.385 -1.804 0.000) 12.515 8.088 ( 0.581 -8.190 0.000) 8.211 8.158 ( 1.609 -1.183 0.000) 1.998 8.307 ( 0.565 1.622 0.000) 1.718 8.447 ( -4.342 -6.911 0.000) 8.162 8.478 ( 4.236 -4.855 0.000) 6.444 8.522 ( 0.689 -5.774 0.000) 5.815 8.591 ( 0.697 -3.889 0.000) 3.951 8.668 ( 7.004 -6.188 0.000) 9.346 8.705 ( -6.601 0.192 0.000) 6.604 8.831 ( -1.672 -3.746 0.000) 4.102 9.105 ( -3.770 2.568 0.000) 4.561 9.117 ( -1.157 1.984 0.000) 2.297 9.278 ( 1.593 -0.424 0.000) 1.649 9.318 ( -3.662 1.107 0.000) 3.826 9.563 ( 2.223 -6.032 0.000) 6.429 9.698 ( -1.550 -0.982 0.000) 1.835 9.753 ( 1.390 -1.438 0.000) 2.000 9.777 ( 4.289 -9.665 0.000) 10.574 9.799 ( 3.384 -3.671 0.000) 4.993 10.081 ( -2.597 -7.595 0.000) 8.027 10.343 ( 1.370 1.267 0.000) 1.866 10.462 ( 4.305 -3.498 0.000) 5.547 10.516 ( -5.924 -6.420 0.000) 8.736 10.592 ( -1.487 -8.788 0.000) 8.913 11.291 ( -0.124 10.267 0.000) 10.268 11.346 ( -3.312 7.477 0.000) 8.178 11.633 ( 6.227 -4.439 0.000) 7.647 11.846 ( -3.371 -6.392 0.000) 7.226 12.614 ( 1.146 4.253 0.000) 4.405 12.671 ( -1.085 4.314 0.000) 4.448 13.126 ( 0.555 -8.341 0.000) 8.360 13.162 ( -0.957 -12.486 0.000) 12.523 14.182 ( -0.442 11.253 0.000) 11.262 14.194 ( -0.756 9.571 0.000) 9.601 14.527 ( 0.308 -2.786 0.000) 2.803 14.552 ( -0.032 -4.442 0.000) 4.442 14.576 ( 0.586 -0.595 0.000) 0.835 14.701 ( 2.384 -3.153 0.000) 3.952 14.711 ( -5.068 -0.535 0.000) 5.096 14.803 ( -1.592 -2.333 0.000) 2.825 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -3.251 21.226 0.000) 21.473 1.841 ( 3.251 21.226 0.000) 21.473 1.960 ( -6.345 20.676 0.000) 21.627 1.960 ( 6.345 20.676 0.000) 21.627 3.046 ( -4.298 -6.803 0.000) 8.047 3.046 ( 4.298 -6.803 0.000) 8.047 3.146 ( -7.946 10.693 0.000) 13.322 3.146 ( 7.946 10.693 0.000) 13.322 3.761 ( -2.776 -12.052 0.000) 12.368 3.761 ( 2.776 -12.052 0.000) 12.368 3.822 ( -8.471 13.216 0.000) 15.698 3.822 ( 8.471 13.216 0.000) 15.698 4.200 ( -1.820 -5.815 0.000) 6.093 4.200 ( 1.820 -5.815 0.000) 6.093 4.404 ( -5.614 15.334 0.000) 16.329 4.404 ( 5.614 15.334 0.000) 16.329 4.764 ( -1.109 6.882 0.000) 6.970 4.764 ( 1.109 6.882 0.000) 6.970 4.851 ( -3.982 7.715 0.000) 8.682 4.851 ( 3.982 7.715 0.000) 8.682 5.263 ( -2.407 1.889 0.000) 3.060 5.263 ( 2.407 1.889 0.000) 3.060 5.525 ( -13.551 5.792 0.000) 14.737 5.525 ( 13.551 5.792 0.000) 14.737 5.646 ( -6.091 -4.640 0.000) 7.657 5.646 ( 6.091 -4.640 0.000) 7.657 5.954 ( -1.151 7.439 0.000) 7.528 5.954 ( 1.151 7.439 0.000) 7.528 6.210 ( -0.123 -3.808 0.000) 3.810 6.210 ( 0.123 -3.808 0.000) 3.810 6.421 ( -8.552 -12.497 0.000) 15.143 6.421 ( 8.552 -12.497 0.000) 15.143 6.681 ( -2.327 12.605 0.000) 12.817 6.681 ( 2.327 12.605 0.000) 12.817 6.834 ( -5.391 4.696 0.000) 7.150 6.834 ( 5.391 4.696 0.000) 7.150 6.945 ( -1.462 6.239 0.000) 6.408 6.945 ( 1.462 6.239 0.000) 6.408 7.135 ( -1.086 11.257 0.000) 11.309 7.135 ( 1.086 11.257 0.000) 11.309 7.482 ( -20.406 -0.316 0.000) 20.408 7.482 ( 20.406 -0.316 0.000) 20.408 7.952 ( -4.597 -12.343 0.000) 13.171 7.952 ( 4.597 -12.343 0.000) 13.171 8.157 ( -3.647 -2.165 0.000) 4.241 8.157 ( 3.647 -2.165 0.000) 4.241 8.347 ( -4.335 -3.738 0.000) 5.724 8.347 ( 4.335 -3.738 0.000) 5.724 8.541 ( -4.445 -5.135 0.000) 6.791 8.541 ( 4.445 -5.135 0.000) 6.791 8.598 ( -4.445 -0.733 0.000) 4.505 8.598 ( 4.445 -0.733 0.000) 4.505 8.771 ( -3.652 -7.956 0.000) 8.754 8.771 ( 3.652 -7.956 0.000) 8.754 9.077 ( -1.171 5.245 0.000) 5.374 9.077 ( 1.171 5.245 0.000) 5.374 9.292 ( -0.169 -1.752 0.000) 1.760 9.292 ( 0.169 -1.752 0.000) 1.760 9.626 ( -3.921 -5.824 0.000) 7.021 9.626 ( 3.921 -5.824 0.000) 7.021 9.778 ( -0.912 -1.505 0.000) 1.760 9.778 ( 0.912 -1.505 0.000) 1.760 9.974 ( -8.317 -10.439 0.000) 13.346 9.974 ( 8.317 -10.439 0.000) 13.346 10.398 ( -4.478 -0.384 0.000) 4.495 10.398 ( 4.478 -0.384 0.000) 4.495 10.547 ( -3.448 -5.799 0.000) 6.746 10.547 ( 3.448 -5.799 0.000) 6.746 11.299 ( -1.236 10.010 0.000) 10.086 11.299 ( 1.236 10.010 0.000) 10.086 11.754 ( -5.564 -5.785 0.000) 8.027 11.754 ( 5.564 -5.785 0.000) 8.027 12.643 ( -1.573 4.297 0.000) 4.575 12.643 ( 1.573 4.297 0.000) 4.575 13.141 ( -0.975 -9.843 0.000) 9.891 13.141 ( 0.975 -9.843 0.000) 9.891 14.180 ( -0.390 11.055 0.000) 11.062 14.180 ( 0.390 11.055 0.000) 11.062 14.538 ( -0.773 -3.353 0.000) 3.441 14.538 ( 0.773 -3.353 0.000) 3.441 14.621 ( -3.528 -0.758 0.000) 3.609 14.621 ( 3.528 -0.758 0.000) 3.609 14.756 ( -2.797 -2.715 0.000) 3.898 14.756 ( 2.797 -2.715 0.000) 3.898 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.000 33.569 0.000) 33.569 2.076 ( 0.000 35.311 0.000) 35.311 2.674 ( 0.000 -27.671 0.000) 27.671 2.727 ( 0.000 -27.347 0.000) 27.347 2.875 ( 0.000 18.870 0.000) 18.870 2.926 ( 0.000 -0.606 0.000) 0.606 2.942 ( 0.000 -3.387 0.000) 3.387 3.208 ( 0.000 -6.541 0.000) 6.541 3.693 ( 0.000 13.891 0.000) 13.891 3.701 ( 0.000 18.852 0.000) 18.852 3.807 ( 0.000 24.853 0.000) 24.853 3.922 ( 0.000 -8.475 0.000) 8.475 4.039 ( 0.000 -17.186 0.000) 17.186 4.357 ( 0.000 -17.429 0.000) 17.429 4.373 ( 0.000 6.908 0.000) 6.908 4.460 ( 0.000 -1.871 0.000) 1.871 4.807 ( 0.000 13.765 0.000) 13.765 4.996 ( 0.000 12.017 0.000) 12.017 5.059 ( 0.000 4.116 0.000) 4.116 5.133 ( 0.000 -19.444 0.000) 19.444 5.172 ( 0.000 7.200 0.000) 7.200 5.317 ( 0.000 -10.151 0.000) 10.151 5.560 ( 0.000 9.021 0.000) 9.021 5.736 ( 0.000 -4.271 0.000) 4.271 5.894 ( 0.000 14.531 0.000) 14.531 5.900 ( 0.000 25.062 0.000) 25.062 6.006 ( 0.000 0.425 0.000) 0.425 6.072 ( 0.000 3.275 0.000) 3.275 6.101 ( 0.000 5.524 0.000) 5.524 6.234 ( 0.000 -3.578 0.000) 3.578 6.245 ( 0.000 -10.873 0.000) 10.873 6.496 ( 0.000 -27.828 0.000) 27.828 6.593 ( 0.000 12.589 0.000) 12.589 6.626 ( 0.000 7.799 0.000) 7.799 6.786 ( 0.000 -6.991 0.000) 6.991 6.839 ( 0.000 -10.684 0.000) 10.684 6.886 ( 0.000 1.907 0.000) 1.907 7.068 ( 0.000 -11.335 0.000) 11.335 7.110 ( 0.000 21.039 0.000) 21.039 7.187 ( 0.000 7.950 0.000) 7.950 7.376 ( 0.000 -0.874 0.000) 0.874 7.406 ( 0.000 -6.627 0.000) 6.627 7.877 ( 0.000 9.943 0.000) 9.943 8.039 ( 0.000 -2.505 0.000) 2.505 8.126 ( 0.000 -2.961 0.000) 2.961 8.180 ( 0.000 4.954 0.000) 4.954 8.202 ( 0.000 -5.356 0.000) 5.356 8.321 ( 0.000 -8.735 0.000) 8.735 8.408 ( 0.000 1.593 0.000) 1.593 8.456 ( 0.000 -3.478 0.000) 3.478 8.597 ( 0.000 7.273 0.000) 7.273 8.672 ( 0.000 16.843 0.000) 16.843 8.758 ( 0.000 -4.867 0.000) 4.867 8.868 ( 0.000 4.094 0.000) 4.094 9.010 ( 0.000 -9.423 0.000) 9.423 9.032 ( 0.000 -14.237 0.000) 14.237 9.306 ( 0.000 4.736 0.000) 4.736 9.418 ( 0.000 -6.237 0.000) 6.237 9.448 ( 0.000 1.958 0.000) 1.958 9.513 ( 0.000 -6.057 0.000) 6.057 9.721 ( 0.000 1.779 0.000) 1.779 9.733 ( 0.000 2.251 0.000) 2.251 9.758 ( 0.000 -1.776 0.000) 1.776 9.878 ( 0.000 -12.647 0.000) 12.647 10.340 ( 0.000 0.776 0.000) 0.776 10.367 ( 0.000 -1.900 0.000) 1.900 10.456 ( 0.000 -2.912 0.000) 2.912 10.467 ( 0.000 -3.268 0.000) 3.268 11.479 ( 0.000 2.768 0.000) 2.768 11.509 ( 0.000 11.100 0.000) 11.100 11.515 ( 0.000 -1.100 0.000) 1.100 11.718 ( 0.000 -9.597 0.000) 9.597 12.718 ( 0.000 7.665 0.000) 7.665 12.794 ( 0.000 6.854 0.000) 6.854 12.911 ( 0.000 -11.719 0.000) 11.719 12.950 ( 0.000 -8.636 0.000) 8.636 14.364 ( 0.000 6.909 0.000) 6.909 14.365 ( 0.000 7.014 0.000) 7.014 14.465 ( 0.000 -3.682 0.000) 3.682 14.471 ( 0.000 -3.922 0.000) 3.922 14.569 ( 0.000 0.347 0.000) 0.347 14.604 ( 0.000 -3.064 0.000) 3.064 14.755 ( 0.000 0.136 0.000) 0.136 14.780 ( 0.000 -1.903 0.000) 1.903 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 4.311 29.261 0.000) 29.577 2.172 ( 8.988 33.284 0.000) 34.477 2.629 ( -16.163 8.304 0.000) 18.171 2.631 ( -3.621 -17.850 0.000) 18.214 2.740 ( -10.700 14.373 0.000) 17.919 2.807 ( -2.604 -23.067 0.000) 23.213 2.872 ( -2.673 -16.267 0.000) 16.485 3.156 ( -5.654 -15.815 0.000) 16.795 3.761 ( 4.267 11.839 0.000) 12.584 3.811 ( 2.683 10.668 0.000) 11.001 3.896 ( 14.911 32.437 0.000) 35.700 3.964 ( 2.647 -8.324 0.000) 8.735 4.040 ( -1.124 -11.865 0.000) 11.918 4.426 ( 3.603 11.957 0.000) 12.488 4.443 ( 9.274 -16.169 0.000) 18.640 4.579 ( 6.817 -1.642 0.000) 7.012 4.865 ( 5.006 11.452 0.000) 12.499 4.897 ( -5.982 15.166 0.000) 16.304 5.014 ( -7.395 1.000 0.000) 7.463 5.040 ( -3.067 1.755 0.000) 3.534 5.250 ( 3.767 -0.944 0.000) 3.884 5.380 ( 5.740 -11.108 0.000) 12.504 5.483 ( -4.717 6.600 0.000) 8.113 5.644 ( -10.933 0.176 0.000) 10.934 5.687 ( -8.646 8.883 0.000) 12.396 5.849 ( -3.874 8.278 0.000) 9.140 5.955 ( -4.610 -6.714 0.000) 8.144 6.065 ( -15.641 -8.378 0.000) 17.743 6.150 ( 1.846 9.289 0.000) 9.471 6.156 ( 3.420 0.984 0.000) 3.559 6.249 ( 0.217 -10.233 0.000) 10.236 6.285 ( -5.199 0.014 0.000) 5.199 6.693 ( 5.387 4.719 0.000) 7.162 6.767 ( 3.949 -4.594 0.000) 6.058 6.789 ( -1.538 -5.857 0.000) 6.055 6.813 ( 2.065 -6.174 0.000) 6.510 7.115 ( 15.739 6.857 0.000) 17.167 7.151 ( 3.918 19.712 0.000) 20.097 7.201 ( 9.146 4.585 0.000) 10.231 7.239 ( 7.617 2.628 0.000) 8.058 7.395 ( 1.518 0.665 0.000) 1.657 7.475 ( 5.931 -11.793 0.000) 13.201 7.865 ( -8.696 0.838 0.000) 8.736 7.902 ( -12.137 -3.345 0.000) 12.590 8.068 ( 3.422 6.614 0.000) 7.446 8.180 ( 0.043 3.766 0.000) 3.766 8.223 ( 0.838 -7.531 0.000) 7.578 8.298 ( -2.101 -7.511 0.000) 7.800 8.443 ( 2.255 1.528 0.000) 2.724 8.516 ( 5.373 -4.019 0.000) 6.710 8.596 ( -0.726 6.163 0.000) 6.206 8.674 ( 0.263 14.891 0.000) 14.894 8.712 ( -4.460 -2.093 0.000) 4.927 8.808 ( -5.395 3.441 0.000) 6.399 9.005 ( 0.083 -12.904 0.000) 12.904 9.028 ( -0.317 -13.730 0.000) 13.734 9.301 ( -0.515 4.379 0.000) 4.409 9.374 ( -4.802 5.263 0.000) 7.124 9.424 ( 0.857 -7.254 0.000) 7.305 9.516 ( -1.683 -9.451 0.000) 9.600 9.739 ( 2.158 1.026 0.000) 2.390 9.746 ( 1.036 1.458 0.000) 1.789 9.763 ( 0.344 -1.366 0.000) 1.409 9.857 ( -2.110 -10.597 0.000) 10.805 10.365 ( 2.032 1.195 0.000) 2.358 10.400 ( 2.817 -2.502 0.000) 3.768 10.439 ( -1.360 -0.787 0.000) 1.571 10.471 ( -0.071 -3.793 0.000) 3.794 11.473 ( 0.049 5.268 0.000) 5.268 11.501 ( -0.748 10.428 0.000) 10.454 11.558 ( 3.398 -3.593 0.000) 4.945 11.694 ( -2.309 -8.799 0.000) 9.097 12.730 ( 1.143 7.604 0.000) 7.689 12.784 ( -0.945 7.034 0.000) 7.097 12.919 ( 0.697 -11.258 0.000) 11.280 12.946 ( -0.378 -9.066 0.000) 9.074 14.361 ( -0.209 6.855 0.000) 6.858 14.361 ( -0.280 6.884 0.000) 6.890 14.463 ( -0.144 -3.841 0.000) 3.844 14.468 ( -0.328 -4.284 0.000) 4.296 14.583 ( 1.699 1.530 0.000) 2.286 14.635 ( 2.612 -3.342 0.000) 4.241 14.715 ( -3.488 1.206 0.000) 3.691 14.755 ( -2.328 -2.446 0.000) 3.377 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -11.107 20.631 0.000) 23.431 2.256 ( 11.107 20.631 0.000) 23.431 2.450 ( -10.598 27.624 0.000) 29.587 2.450 ( 10.598 27.624 0.000) 29.587 2.673 ( -4.330 -20.762 0.000) 21.208 2.673 ( 4.330 -20.762 0.000) 21.208 3.000 ( -8.990 -25.023 0.000) 26.589 3.000 ( 8.990 -25.023 0.000) 26.589 3.817 ( -1.370 10.274 0.000) 10.365 3.817 ( 1.370 10.274 0.000) 10.365 4.004 ( -1.576 -7.736 0.000) 7.895 4.004 ( 1.576 -7.736 0.000) 7.895 4.274 ( -18.352 24.348 0.000) 30.490 4.274 ( 18.352 24.348 0.000) 30.490 4.622 ( -3.483 -3.967 0.000) 5.279 4.622 ( 3.483 -3.967 0.000) 5.279 4.885 ( -2.367 7.787 0.000) 8.139 4.885 ( 2.367 7.787 0.000) 8.139 4.967 ( -2.941 1.847 0.000) 3.473 4.967 ( 2.941 1.847 0.000) 3.473 5.348 ( -7.290 7.674 0.000) 10.585 5.348 ( 7.290 7.674 0.000) 10.585 5.495 ( -5.195 -5.429 0.000) 7.514 5.495 ( 5.195 -5.429 0.000) 7.514 5.693 ( -11.053 5.247 0.000) 12.235 5.693 ( 11.053 5.247 0.000) 12.235 5.872 ( -1.948 -13.096 0.000) 13.240 5.872 ( 1.948 -13.096 0.000) 13.240 6.208 ( -0.083 1.637 0.000) 1.639 6.208 ( 0.083 1.637 0.000) 1.639 6.225 ( -0.296 -2.323 0.000) 2.342 6.225 ( 0.296 -2.323 0.000) 2.342 6.772 ( -1.614 -0.305 0.000) 1.643 6.772 ( 1.614 -0.305 0.000) 1.643 6.807 ( -2.786 -3.375 0.000) 4.377 6.807 ( 2.786 -3.375 0.000) 4.377 7.222 ( -1.534 17.266 0.000) 17.334 7.222 ( 1.534 17.266 0.000) 17.334 7.396 ( -3.267 5.441 0.000) 6.347 7.396 ( 3.267 5.441 0.000) 6.347 7.522 ( -19.436 3.540 0.000) 19.755 7.522 ( 19.436 3.540 0.000) 19.755 7.664 ( -12.959 -13.245 0.000) 18.530 7.664 ( 12.959 -13.245 0.000) 18.530 8.167 ( -2.641 2.390 0.000) 3.562 8.167 ( 2.641 2.390 0.000) 3.562 8.249 ( -2.212 -5.454 0.000) 5.886 8.249 ( 2.212 -5.454 0.000) 5.886 8.524 ( -5.738 3.999 0.000) 6.994 8.524 ( 5.738 3.999 0.000) 6.994 8.628 ( -4.606 -5.740 0.000) 7.359 8.628 ( 4.606 -5.740 0.000) 7.359 8.697 ( -3.424 11.244 0.000) 11.754 8.697 ( 3.424 11.244 0.000) 11.754 9.018 ( -0.784 -14.773 0.000) 14.794 9.018 ( 0.784 -14.773 0.000) 14.794 9.304 ( -1.600 5.798 0.000) 6.015 9.304 ( 1.600 5.798 0.000) 6.015 9.461 ( -2.818 -9.297 0.000) 9.714 9.461 ( 2.818 -9.297 0.000) 9.714 9.762 ( -0.382 0.004 0.000) 0.382 9.762 ( 0.382 0.004 0.000) 0.382 9.800 ( -3.279 -4.808 0.000) 5.819 9.800 ( 3.279 -4.808 0.000) 5.819 10.406 ( -1.882 1.247 0.000) 2.257 10.406 ( 1.882 1.247 0.000) 2.257 10.453 ( -1.899 -3.547 0.000) 4.024 10.453 ( 1.899 -3.547 0.000) 4.024 11.484 ( -0.879 8.384 0.000) 8.430 11.484 ( 0.879 8.384 0.000) 8.430 11.632 ( -3.652 -6.650 0.000) 7.587 11.632 ( 3.652 -6.650 0.000) 7.587 12.758 ( -1.484 7.379 0.000) 7.527 12.758 ( 1.484 7.379 0.000) 7.527 12.934 ( -0.759 -10.146 0.000) 10.175 12.934 ( 0.759 -10.146 0.000) 10.175 14.358 ( -0.014 6.795 0.000) 6.795 14.358 ( 0.014 6.795 0.000) 6.795 14.462 ( -0.120 -4.200 0.000) 4.202 14.462 ( 0.120 -4.200 0.000) 4.202 14.639 ( -3.646 2.219 0.000) 4.268 14.639 ( 3.646 2.219 0.000) 4.268 14.696 ( -3.252 -3.206 0.000) 4.567 14.696 ( 3.252 -3.206 0.000) 4.567 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 0.000 34.564) 34.564 0.757 ( 0.000 0.000 35.210) 35.210 1.700 ( 0.000 0.000 79.207) 79.207 2.118 ( 0.000 0.000 9.661) 9.661 2.609 ( 0.000 0.000 22.739) 22.739 2.809 ( 0.000 0.000 -7.955) 7.955 3.085 ( 0.000 0.000 5.613) 5.613 3.555 ( 0.000 0.000 -9.513) 9.513 3.627 ( 0.000 0.000 8.867) 8.867 3.641 ( 0.000 0.000 -5.141) 5.141 3.734 ( 0.000 0.000 -1.801) 1.801 3.891 ( 0.000 0.000 -12.987) 12.987 4.141 ( 0.000 0.000 -11.570) 11.570 4.289 ( 0.000 0.000 0.846) 0.846 4.325 ( 0.000 0.000 19.705) 19.705 4.435 ( 0.000 0.000 -1.871) 1.871 4.670 ( 0.000 0.000 -11.518) 11.518 4.707 ( 0.000 0.000 2.733) 2.733 4.799 ( 0.000 0.000 5.130) 5.130 4.975 ( 0.000 0.000 0.667) 0.667 5.175 ( 0.000 0.000 3.927) 3.927 5.379 ( 0.000 0.000 -6.457) 6.457 5.394 ( 0.000 0.000 -4.009) 4.009 5.497 ( 0.000 0.000 0.621) 0.621 5.515 ( 0.000 0.000 -1.145) 1.145 5.532 ( 0.000 0.000 0.804) 0.804 5.792 ( 0.000 0.000 -2.794) 2.794 5.968 ( 0.000 0.000 -10.023) 10.023 5.990 ( 0.000 0.000 -0.285) 0.285 6.018 ( 0.000 0.000 -7.981) 7.981 6.118 ( 0.000 0.000 2.887) 2.887 6.210 ( 0.000 0.000 4.763) 4.763 6.333 ( 0.000 0.000 -8.414) 8.414 6.378 ( 0.000 0.000 5.011) 5.011 6.533 ( 0.000 0.000 7.070) 7.070 6.645 ( 0.000 0.000 1.496) 1.496 6.729 ( 0.000 0.000 -2.482) 2.482 7.147 ( 0.000 0.000 3.100) 3.100 7.155 ( 0.000 0.000 2.701) 2.701 7.395 ( 0.000 0.000 3.711) 3.711 7.513 ( 0.000 0.000 -1.445) 1.445 7.841 ( 0.000 0.000 -11.767) 11.767 8.014 ( 0.000 0.000 0.546) 0.546 8.029 ( 0.000 0.000 0.952) 0.952 8.123 ( 0.000 0.000 2.533) 2.533 8.210 ( 0.000 0.000 -0.759) 0.759 8.371 ( 0.000 0.000 -7.588) 7.588 8.375 ( 0.000 0.000 -4.402) 4.402 8.678 ( 0.000 0.000 -10.162) 10.162 8.708 ( 0.000 0.000 -3.211) 3.211 8.719 ( 0.000 0.000 1.908) 1.908 8.752 ( 0.000 0.000 -1.001) 1.001 8.823 ( 0.000 0.000 0.595) 0.595 8.936 ( 0.000 0.000 -3.011) 3.011 9.071 ( 0.000 0.000 6.026) 6.026 9.072 ( 0.000 0.000 -0.591) 0.591 9.073 ( 0.000 0.000 -25.110) 25.110 9.312 ( 0.000 0.000 5.435) 5.435 9.451 ( 0.000 0.000 -9.011) 9.011 9.605 ( 0.000 0.000 -21.533) 21.533 9.736 ( 0.000 0.000 -1.182) 1.182 9.754 ( 0.000 0.000 3.694) 3.694 9.784 ( 0.000 0.000 1.121) 1.121 9.886 ( 0.000 0.000 -4.524) 4.524 10.402 ( 0.000 0.000 27.355) 27.355 10.616 ( 0.000 0.000 -8.337) 8.337 10.726 ( 0.000 0.000 15.307) 15.307 10.962 ( 0.000 0.000 11.715) 11.715 11.259 ( 0.000 0.000 2.146) 2.146 11.514 ( 0.000 0.000 -7.706) 7.706 11.778 ( 0.000 0.000 8.220) 8.220 12.494 ( 0.000 0.000 -4.588) 4.588 12.579 ( 0.000 0.000 3.767) 3.767 12.619 ( 0.000 0.000 1.260) 1.260 13.256 ( 0.000 0.000 -1.078) 1.078 13.452 ( 0.000 0.000 5.889) 5.889 13.587 ( 0.000 0.000 -3.712) 3.712 13.804 ( 0.000 0.000 0.138) 0.138 13.992 ( 0.000 0.000 1.575) 1.575 14.520 ( 0.000 0.000 -7.016) 7.016 14.631 ( 0.000 0.000 2.178) 2.178 14.745 ( 0.000 0.000 0.946) 0.946 14.954 ( 0.000 0.000 6.906) 6.906 15.731 ( 0.000 0.000 -3.117) 3.117 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 21.523 0.000 25.605) 33.449 1.168 ( 30.567 0.000 23.917) 38.812 1.926 ( -17.531 0.000 11.294) 20.854 1.986 ( 27.558 0.000 62.982) 68.747 2.244 ( -22.922 0.000 19.725) 30.241 3.104 ( 12.796 0.000 -0.625) 12.811 3.179 ( 8.555 0.000 4.486) 9.659 3.398 ( -15.781 0.000 2.387) 15.960 3.559 ( -6.357 0.000 7.549) 9.869 3.616 ( -9.731 0.000 -0.684) 9.755 3.781 ( 11.278 0.000 -7.319) 13.445 3.942 ( 5.339 0.000 -10.322) 11.621 4.068 ( -4.423 0.000 -10.138) 11.060 4.242 ( -2.545 0.000 11.650) 11.925 4.424 ( 8.731 0.000 -0.757) 8.764 4.455 ( 0.314 0.000 -3.806) 3.819 4.563 ( -13.197 0.000 -4.240) 13.861 4.694 ( -0.210 0.000 -9.921) 9.923 4.752 ( -3.735 0.000 7.049) 7.978 4.832 ( -6.483 0.000 -6.149) 8.936 5.131 ( -4.857 0.000 8.034) 9.388 5.285 ( -10.152 0.000 -3.619) 10.778 5.426 ( 3.474 0.000 0.069) 3.474 5.457 ( 2.686 0.000 -4.312) 5.080 5.554 ( 0.726 0.000 -0.294) 0.783 5.567 ( 1.788 0.000 1.465) 2.312 5.787 ( -0.297 0.000 -0.842) 0.893 5.959 ( -7.158 0.000 4.704) 8.565 6.042 ( 8.849 0.000 -6.776) 11.146 6.149 ( 5.609 0.000 -5.701) 7.998 6.191 ( 14.251 0.000 -0.663) 14.266 6.221 ( 0.807 0.000 4.656) 4.726 6.329 ( -1.768 0.000 2.950) 3.440 6.373 ( -0.056 0.000 -5.462) 5.462 6.503 ( -1.409 0.000 4.610) 4.820 6.608 ( -6.785 0.000 -5.555) 8.769 6.809 ( 4.823 0.000 -5.433) 7.265 7.183 ( -9.379 0.000 -0.409) 9.388 7.235 ( 9.423 0.000 4.482) 10.435 7.332 ( -0.115 0.000 3.228) 3.230 7.520 ( 7.278 0.000 2.640) 7.742 7.706 ( -10.585 0.000 -5.158) 11.775 7.970 ( -10.372 0.000 -7.932) 13.057 8.072 ( 7.023 0.000 -1.734) 7.234 8.152 ( 5.928 0.000 -2.412) 6.400 8.257 ( -3.341 0.000 -2.262) 4.035 8.342 ( 5.383 0.000 4.031) 6.725 8.523 ( -2.746 0.000 -10.667) 11.015 8.632 ( 4.353 0.000 -10.791) 11.636 8.694 ( -1.860 0.000 1.472) 2.372 8.725 ( -0.120 0.000 -4.579) 4.581 8.774 ( -2.000 0.000 2.280) 3.033 8.777 ( -0.380 0.000 -7.967) 7.976 8.901 ( -3.447 0.000 -0.727) 3.523 9.079 ( 1.340 0.000 1.406) 1.942 9.096 ( 0.973 0.000 2.209) 2.414 9.230 ( 10.826 0.000 -18.674) 21.586 9.344 ( 5.435 0.000 2.318) 5.908 9.558 ( -2.799 0.000 -18.904) 19.110 9.610 ( 2.256 0.000 -6.788) 7.152 9.672 ( 6.744 0.000 -7.092) 9.787 9.758 ( 0.410 0.000 3.365) 3.390 9.780 ( -0.442 0.000 1.557) 1.619 9.966 ( 4.172 0.000 -6.852) 8.022 10.289 ( -6.963 0.000 23.581) 24.588 10.521 ( -9.151 0.000 -7.442) 11.795 10.814 ( 6.383 0.000 15.397) 16.668 11.018 ( 2.245 0.000 16.295) 16.449 11.185 ( -2.202 0.000 5.008) 5.471 11.468 ( -5.650 0.000 2.165) 6.051 11.804 ( 3.084 0.000 3.742) 4.849 12.153 ( -17.491 0.000 6.828) 18.777 12.592 ( 1.395 0.000 4.001) 4.237 12.653 ( -0.505 0.000 3.183) 3.222 13.270 ( 1.400 0.000 -0.703) 1.566 13.386 ( -4.235 0.000 2.382) 4.859 13.684 ( 7.110 0.000 -0.446) 7.124 13.947 ( -4.326 0.000 1.451) 4.563 14.083 ( 17.185 0.000 -15.150) 22.909 14.480 ( -4.053 0.000 -9.505) 10.333 14.649 ( 1.648 0.000 2.667) 3.135 14.731 ( -1.458 0.000 2.103) 2.559 14.982 ( 3.219 0.000 7.969) 8.595 15.405 ( -20.251 0.000 13.395) 24.280 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -24.450 0.000 16.060) 29.253 1.490 ( 24.450 0.000 16.060) 29.253 1.742 ( -26.473 0.000 23.838) 35.624 1.742 ( 26.473 0.000 23.838) 35.624 2.702 ( -38.141 0.000 32.340) 50.007 2.702 ( 38.141 0.000 32.340) 50.007 3.391 ( -11.789 0.000 2.161) 11.986 3.391 ( 11.789 0.000 2.161) 11.986 3.426 ( -8.198 0.000 0.138) 8.199 3.426 ( 8.198 0.000 0.138) 8.199 3.953 ( -5.578 0.000 -11.847) 13.094 3.953 ( 5.578 0.000 -11.847) 13.094 4.204 ( -17.590 0.000 -4.963) 18.277 4.204 ( 17.590 0.000 -4.963) 18.277 4.326 ( -9.638 0.000 0.190) 9.640 4.326 ( 9.638 0.000 0.190) 9.640 4.631 ( -8.383 0.000 1.652) 8.545 4.631 ( 8.383 0.000 1.652) 8.545 4.747 ( -5.009 0.000 -9.462) 10.705 4.747 ( 5.009 0.000 -9.462) 10.705 5.114 ( -4.699 0.000 2.202) 5.190 5.114 ( 4.699 0.000 2.202) 5.190 5.523 ( -3.022 0.000 -3.132) 4.352 5.523 ( 3.022 0.000 -3.132) 4.352 5.528 ( -5.451 0.000 2.989) 6.217 5.528 ( 5.451 0.000 2.989) 6.217 5.825 ( -4.758 0.000 4.160) 6.321 5.825 ( 4.758 0.000 4.160) 6.321 6.231 ( -0.635 0.000 3.518) 3.575 6.231 ( 0.635 0.000 3.518) 3.575 6.252 ( -9.964 0.000 -1.873) 10.139 6.252 ( 9.964 0.000 -1.873) 10.139 6.410 ( -10.233 0.000 -7.973) 12.972 6.410 ( 10.233 0.000 -7.973) 12.972 6.448 ( -8.440 0.000 -0.008) 8.440 6.448 ( 8.440 0.000 -0.008) 8.440 6.917 ( -10.571 0.000 -3.403) 11.106 6.917 ( 10.571 0.000 -3.403) 11.106 7.470 ( -12.504 0.000 0.397) 12.510 7.470 ( 12.504 0.000 0.397) 12.510 7.494 ( -12.880 0.000 2.431) 13.107 7.494 ( 12.880 0.000 2.431) 13.107 8.019 ( -15.347 0.000 -3.567) 15.756 8.019 ( 15.347 0.000 -3.567) 15.756 8.192 ( -2.810 0.000 -2.994) 4.106 8.192 ( 2.810 0.000 -2.994) 4.106 8.450 ( -4.251 0.000 -0.647) 4.300 8.450 ( 4.251 0.000 -0.647) 4.300 8.678 ( -1.326 0.000 -0.570) 1.443 8.678 ( 1.326 0.000 -0.570) 1.443 8.731 ( -3.837 0.000 -13.609) 14.140 8.731 ( 3.837 0.000 -13.609) 14.140 8.820 ( -4.098 0.000 0.413) 4.119 8.820 ( 4.098 0.000 0.413) 4.119 9.101 ( -0.507 0.000 1.392) 1.482 9.101 ( 0.507 0.000 1.392) 1.482 9.404 ( -6.267 0.000 -4.424) 7.671 9.404 ( 6.267 0.000 -4.424) 7.671 9.523 ( -6.095 0.000 -13.406) 14.727 9.523 ( 6.095 0.000 -13.406) 14.727 9.769 ( -0.590 0.000 2.515) 2.583 9.769 ( 0.590 0.000 2.515) 2.583 9.940 ( -9.175 0.000 -6.642) 11.327 9.940 ( 9.175 0.000 -6.642) 11.327 10.299 ( -9.707 0.000 2.601) 10.050 10.299 ( 9.707 0.000 2.601) 10.050 10.944 ( -6.417 0.000 16.924) 18.100 10.944 ( 6.417 0.000 16.924) 18.100 11.301 ( -9.683 0.000 8.613) 12.959 11.301 ( 9.683 0.000 8.613) 12.959 11.911 ( -7.908 0.000 2.342) 8.248 11.911 ( 7.908 0.000 2.342) 8.248 12.626 ( -1.812 0.000 3.976) 4.370 12.626 ( 1.812 0.000 3.976) 4.370 13.313 ( -2.912 0.000 0.392) 2.939 13.313 ( 2.912 0.000 0.392) 2.939 13.830 ( -7.012 0.000 0.955) 7.077 13.830 ( 7.012 0.000 0.955) 7.077 14.349 ( -9.494 0.000 -14.511) 17.341 14.349 ( 9.494 0.000 -14.511) 17.341 14.690 ( -2.309 0.000 3.135) 3.893 14.690 ( 2.309 0.000 3.135) 3.893 15.107 ( -9.883 0.000 11.916) 15.481 15.107 ( 9.883 0.000 11.916) 15.481 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 22.638 24.861) 33.623 1.290 ( 0.000 32.639 27.999) 43.003 1.964 ( 0.000 30.386 59.988) 67.245 2.379 ( 0.000 22.329 8.407) 23.859 2.646 ( 0.000 4.448 20.767) 21.238 2.834 ( 0.000 2.792 -7.654) 8.147 3.106 ( 0.000 1.589 5.567) 5.790 3.449 ( 0.000 -10.213 6.012) 11.852 3.621 ( 0.000 3.795 -9.517) 10.246 3.669 ( 0.000 -4.345 -7.919) 9.032 3.819 ( 0.000 3.395 -4.109) 5.330 3.979 ( 0.000 7.652 -6.162) 9.825 4.121 ( 0.000 -0.560 -3.060) 3.111 4.289 ( 0.000 -1.762 12.456) 12.580 4.378 ( 0.000 7.218 2.616) 7.677 4.425 ( 0.000 -0.084 -3.031) 3.032 4.597 ( 0.000 -6.041 -8.206) 10.190 4.619 ( 0.000 -3.009 0.061) 3.009 4.819 ( 0.000 3.799 5.972) 7.078 4.839 ( 0.000 -7.110 -1.220) 7.214 5.267 ( 0.000 6.642 1.706) 6.858 5.442 ( 0.000 -5.069 -2.290) 5.562 5.480 ( 0.000 5.992 0.874) 6.056 5.550 ( 0.000 9.913 -3.252) 10.433 5.604 ( 0.000 4.718 0.350) 4.731 5.649 ( 0.000 7.432 -1.115) 7.516 5.792 ( 0.000 4.303 -9.215) 10.170 5.918 ( 0.000 -4.385 -6.448) 7.798 5.926 ( 0.000 5.976 -0.786) 6.027 6.099 ( 0.000 3.873 -2.711) 4.727 6.337 ( 0.000 12.094 3.530) 12.598 6.373 ( 0.000 2.752 -7.773) 8.246 6.375 ( 0.000 15.188 -2.662) 15.420 6.453 ( 0.000 1.378 5.335) 5.510 6.566 ( 0.000 -5.079 4.406) 6.724 6.613 ( 0.000 15.044 4.164) 15.610 6.693 ( 0.000 -3.768 -0.098) 3.770 7.006 ( 0.000 -5.007 2.611) 5.647 7.203 ( 0.000 -2.898 0.801) 3.007 7.367 ( 0.000 -11.672 -2.567) 11.951 7.481 ( 0.000 7.699 0.977) 7.761 7.820 ( 0.000 -6.976 -7.233) 10.049 7.901 ( 0.000 -13.918 1.389) 13.987 8.051 ( 0.000 2.233 0.218) 2.244 8.141 ( 0.000 -2.492 -2.093) 3.254 8.175 ( 0.000 5.159 0.677) 5.203 8.344 ( 0.000 -3.188 -4.183) 5.260 8.348 ( 0.000 -2.185 -6.290) 6.658 8.598 ( 0.000 -4.305 -4.512) 6.237 8.646 ( 0.000 -5.074 -1.513) 5.295 8.697 ( 0.000 -6.218 1.877) 6.496 8.705 ( 0.000 -3.200 1.168) 3.406 8.802 ( 0.000 -0.009 -3.115) 3.115 8.848 ( 0.000 -6.795 -1.155) 6.893 9.042 ( 0.000 -0.031 -11.669) 11.669 9.109 ( 0.000 2.785 -3.808) 4.718 9.173 ( 0.000 3.337 -4.194) 5.360 9.344 ( 0.000 1.951 1.760) 2.628 9.456 ( 0.000 0.466 -9.419) 9.431 9.556 ( 0.000 -3.050 -22.985) 23.186 9.578 ( 0.000 -6.870 0.149) 6.872 9.651 ( 0.000 -3.625 0.450) 3.653 9.987 ( 0.000 -2.697 -0.592) 2.761 10.022 ( 0.000 13.092 6.938) 14.817 10.523 ( 0.000 9.261 15.991) 18.479 10.572 ( 0.000 -3.897 -12.374) 12.973 10.710 ( 0.000 -1.275 17.284) 17.331 10.954 ( 0.000 -1.185 13.682) 13.733 11.268 ( 0.000 1.270 1.645) 2.078 11.387 ( 0.000 -8.781 -2.474) 9.123 11.687 ( 0.000 -8.105 6.548) 10.419 12.115 ( 0.000 -17.130 6.504) 18.323 12.586 ( 0.000 0.989 3.404) 3.545 12.638 ( 0.000 2.008 1.435) 2.468 13.291 ( 0.000 -3.329 3.777) 5.035 13.471 ( 0.000 -10.972 1.778) 11.115 13.860 ( 0.000 6.834 -6.532) 9.454 13.884 ( 0.000 24.650 -21.170) 32.494 14.098 ( 0.000 8.117 2.107) 8.386 14.508 ( 0.000 -0.899 -7.709) 7.762 14.627 ( 0.000 -0.253 2.542) 2.554 14.708 ( 0.000 -3.261 1.751) 3.702 14.915 ( 0.000 -3.663 6.251) 7.245 15.424 ( 0.000 -20.465 11.873) 23.660 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 20.659 17.338 20.133) 33.656 1.473 ( 16.214 23.717 27.771) 39.957 2.158 ( -16.215 20.495 13.204) 29.280 2.244 ( 22.586 26.725 43.561) 55.874 2.296 ( -21.695 5.767 17.649) 28.555 3.072 ( 6.998 0.193 2.891) 7.574 3.227 ( 9.858 3.209 3.495) 10.941 3.405 ( -2.413 -9.625 1.519) 10.039 3.547 ( -7.385 7.137 -2.017) 10.467 3.753 ( 7.326 -4.913 -8.386) 12.171 3.769 ( -6.163 10.311 2.168) 12.207 3.985 ( 0.972 3.759 -6.283) 7.386 4.052 ( -5.423 -2.380 -2.885) 6.588 4.206 ( -4.487 -0.253 5.170) 6.850 4.402 ( -1.845 1.000 -0.126) 2.102 4.474 ( 1.180 -0.192 -3.882) 4.062 4.560 ( -0.777 1.684 0.071) 1.856 4.646 ( 2.742 -2.015 -5.749) 6.681 4.692 ( -1.873 -1.525 1.193) 2.694 4.855 ( -3.013 -0.724 0.939) 3.238 5.175 ( -6.848 6.978 3.924) 10.535 5.350 ( -3.920 0.786 -1.564) 4.293 5.399 ( -8.296 0.822 -1.614) 8.491 5.498 ( -8.206 5.134 -8.248) 12.717 5.599 ( 3.988 -2.606 -4.146) 6.315 5.708 ( 4.229 13.111 2.139) 13.942 5.834 ( 1.074 3.044 1.435) 3.532 5.875 ( -1.692 2.513 3.865) 4.911 6.062 ( 11.864 -2.280 -9.203) 15.187 6.265 ( 9.854 3.371 -3.177) 10.888 6.334 ( 0.627 7.463 5.062) 9.039 6.354 ( -1.044 11.920 -5.569) 13.198 6.402 ( 1.032 8.125 -2.171) 8.473 6.463 ( 1.246 7.251 1.331) 7.476 6.479 ( -2.966 6.586 3.139) 7.875 6.675 ( -2.722 3.882 -1.017) 4.849 6.751 ( 6.968 -3.137 -4.231) 8.735 7.049 ( 6.159 -6.894 2.883) 9.684 7.145 ( -9.724 -4.547 0.792) 10.764 7.338 ( 1.394 -5.681 4.780) 7.554 7.570 ( -4.698 -3.500 -2.791) 6.490 7.634 ( 1.756 1.069 -0.273) 2.074 7.940 ( -4.867 -3.866 -6.575) 9.048 8.032 ( -1.955 -5.084 -2.066) 5.825 8.149 ( 3.231 -0.430 -1.427) 3.558 8.238 ( 0.073 -1.552 -0.134) 1.560 8.287 ( 6.989 -1.770 1.949) 7.469 8.492 ( -4.198 -2.498 -7.515) 8.963 8.540 ( 5.030 -7.064 -8.951) 12.462 8.688 ( -0.714 -3.330 1.268) 3.634 8.706 ( 2.905 -3.451 -0.980) 4.616 8.728 ( -0.085 -5.179 -1.111) 5.298 8.756 ( -3.227 -0.763 -0.727) 3.395 8.849 ( -0.533 -4.960 -3.062) 5.853 9.026 ( 0.156 -1.428 -5.133) 5.330 9.090 ( -2.637 0.496 2.384) 3.590 9.220 ( 4.949 -1.476 -10.727) 11.906 9.335 ( 1.012 -0.244 2.735) 2.927 9.517 ( -2.366 -2.747 -19.053) 19.395 9.550 ( -1.960 -4.811 -11.730) 12.829 9.582 ( 7.136 -0.946 -5.048) 8.792 9.689 ( 1.991 -3.162 -0.547) 3.776 10.014 ( 5.931 1.691 0.862) 6.227 10.097 ( 5.405 8.589 6.203) 11.894 10.395 ( -8.876 10.254 11.423) 17.732 10.484 ( -8.927 -1.984 -9.012) 12.839 10.795 ( 5.760 -1.811 16.678) 17.737 10.983 ( 0.207 -3.609 18.084) 18.442 11.194 ( -1.342 1.483 2.380) 3.109 11.398 ( -2.487 -4.702 2.829) 6.025 11.720 ( 3.718 -7.452 2.196) 8.612 12.001 ( -8.859 -10.434 3.731) 14.187 12.597 ( 1.148 0.930 3.336) 3.648 12.642 ( -0.164 0.748 2.301) 2.425 13.290 ( 0.315 -2.460 3.125) 3.990 13.393 ( -5.100 -4.526 2.236) 7.176 13.832 ( 2.871 12.884 -4.828) 14.055 14.000 ( -0.768 7.575 -5.653) 9.483 14.164 ( 9.329 6.181 -11.853) 16.301 14.470 ( -3.829 -0.728 -9.843) 10.586 14.639 ( 1.134 -0.786 2.919) 3.229 14.697 ( -1.108 -2.985 2.722) 4.189 14.940 ( 2.829 -3.883 7.306) 8.744 15.254 ( -12.444 -11.977 14.057) 22.269 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -24.736 15.866 14.526) 32.782 1.706 ( 24.736 15.866 14.526) 32.782 1.861 ( -20.953 12.709 23.877) 34.215 1.861 ( 20.953 12.709 23.877) 34.215 2.828 ( -28.056 14.069 23.266) 39.069 2.828 ( 28.056 14.069 23.266) 39.069 3.367 ( -3.337 -6.480 1.605) 7.463 3.367 ( 3.337 -6.480 1.605) 7.463 3.570 ( -10.075 14.233 3.150) 17.720 3.570 ( 10.075 14.233 3.150) 17.720 3.914 ( -7.694 -4.919 -8.844) 12.713 3.914 ( 7.694 -4.919 -8.844) 12.713 4.094 ( -8.345 -3.105 -4.246) 9.864 4.094 ( 8.345 -3.105 -4.246) 9.864 4.384 ( -4.814 0.725 -2.215) 5.349 4.384 ( 4.814 0.725 -2.215) 5.349 4.668 ( -5.021 4.091 3.927) 7.574 4.668 ( 5.021 4.091 3.927) 7.574 4.746 ( -5.997 0.046 -4.331) 7.397 4.746 ( 5.997 0.046 -4.331) 7.397 5.167 ( -8.634 7.437 -1.178) 11.456 5.167 ( 8.634 7.437 -1.178) 11.456 5.372 ( -3.971 -4.658 -4.229) 7.440 5.372 ( 3.971 -4.658 -4.229) 7.440 5.712 ( -4.868 3.105 -2.016) 6.115 5.712 ( 4.868 3.105 -2.016) 6.115 5.839 ( -2.467 3.744 7.194) 8.477 5.839 ( 2.467 3.744 7.194) 8.477 6.283 ( -5.068 -1.214 -2.228) 5.667 6.283 ( 5.068 -1.214 -2.228) 5.667 6.368 ( -4.884 9.082 -6.419) 12.147 6.368 ( 4.884 9.082 -6.419) 12.147 6.414 ( -0.739 9.361 1.549) 9.517 6.414 ( 0.739 9.361 1.549) 9.517 6.571 ( -7.996 9.376 -1.049) 12.367 6.571 ( 7.996 9.376 -1.049) 12.367 6.889 ( -10.812 -2.153 -4.104) 11.763 6.889 ( 10.812 -2.153 -4.104) 11.763 7.279 ( -13.827 -11.032 3.306) 17.995 7.279 ( 13.827 -11.032 3.306) 17.995 7.557 ( -14.129 -0.065 3.955) 14.673 7.557 ( 14.129 -0.065 3.955) 14.673 7.968 ( -7.762 -2.574 -6.586) 10.500 7.968 ( 7.762 -2.574 -6.586) 10.500 8.217 ( -2.281 0.327 -1.327) 2.658 8.217 ( 2.281 0.327 -1.327) 2.658 8.395 ( -4.133 -4.013 -1.754) 6.022 8.395 ( 4.133 -4.013 -1.754) 6.022 8.650 ( -4.429 -5.429 -6.148) 9.322 8.650 ( 4.429 -5.429 -6.148) 9.322 8.692 ( -0.655 -2.936 0.608) 3.069 8.692 ( 0.655 -2.936 0.608) 3.069 8.799 ( -3.862 -2.095 -3.680) 5.732 8.799 ( 3.862 -2.095 -3.680) 5.732 9.049 ( -1.506 -2.762 1.222) 3.375 9.049 ( 1.506 -2.762 1.222) 3.375 9.326 ( -3.647 -4.874 -3.110) 6.836 9.326 ( 3.647 -4.874 -3.110) 6.836 9.499 ( -1.906 -1.586 -16.673) 16.856 9.499 ( 1.906 -1.586 -16.673) 16.856 9.685 ( -2.566 -2.830 -2.091) 4.355 9.685 ( 2.566 -2.830 -2.091) 4.355 10.211 ( -0.190 -3.160 14.307) 14.653 10.211 ( 0.190 -3.160 14.307) 14.653 10.255 ( -6.666 13.387 -11.871) 19.093 10.255 ( 6.666 13.387 -11.871) 19.093 10.910 ( -5.594 -3.238 17.893) 19.025 10.910 ( 5.594 -3.238 17.893) 19.025 11.284 ( -7.427 -0.740 6.240) 9.729 11.284 ( 7.427 -0.740 6.240) 9.729 11.833 ( -7.281 -6.824 -0.100) 9.979 11.833 ( 7.281 -6.824 -0.100) 9.979 12.625 ( -1.371 0.628 3.085) 3.434 12.625 ( 1.371 0.628 3.085) 3.434 13.316 ( -2.482 -2.282 2.637) 4.281 13.316 ( 2.482 -2.282 2.637) 4.281 13.923 ( -5.174 9.105 -1.943) 10.651 13.923 ( 5.174 9.105 -1.943) 10.651 14.352 ( -7.954 0.522 -13.795) 15.933 14.352 ( 7.954 0.522 -13.795) 15.933 14.668 ( -1.622 -1.937 3.403) 4.238 14.668 ( 1.622 -1.937 3.403) 4.238 15.044 ( -7.814 -5.666 10.864) 14.533 15.044 ( 7.814 -5.666 10.864) 14.533 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 30.274 14.934) 33.757 1.808 ( 0.000 23.706 32.209) 39.993 2.735 ( 0.000 11.583 14.277) 18.385 2.770 ( 0.000 34.716 17.945) 39.079 2.860 ( 0.000 12.883 7.289) 14.802 2.900 ( 0.000 4.465 -3.037) 5.400 3.154 ( 0.000 6.013 12.990) 14.314 3.237 ( 0.000 -13.236 2.099) 13.402 3.538 ( 0.000 -8.837 -7.569) 11.636 3.543 ( 0.000 -1.695 0.539) 1.779 3.789 ( 0.000 -4.332 1.203) 4.495 4.070 ( 0.000 -4.492 5.156) 6.838 4.127 ( 0.000 4.307 -5.259) 6.798 4.360 ( 0.000 -8.977 -2.170) 9.236 4.406 ( 0.000 8.212 -1.483) 8.345 4.482 ( 0.000 5.890 -3.514) 6.859 4.574 ( 0.000 4.731 6.460) 8.007 4.724 ( 0.000 15.372 -4.249) 15.948 4.856 ( 0.000 7.535 -4.820) 8.944 4.956 ( 0.000 8.730 3.036) 9.243 5.309 ( 0.000 -7.818 -5.386) 9.494 5.377 ( 0.000 6.294 -1.195) 6.406 5.560 ( 0.000 -17.425 -10.318) 20.251 5.582 ( 0.000 0.172 -0.564) 0.590 5.706 ( 0.000 15.181 8.169) 17.240 5.718 ( 0.000 5.442 -1.484) 5.641 5.949 ( 0.000 6.639 -6.435) 9.245 5.956 ( 0.000 7.181 -0.502) 7.198 6.085 ( 0.000 -3.632 6.378) 7.339 6.179 ( 0.000 16.136 -5.418) 17.021 6.360 ( 0.000 -5.137 1.643) 5.393 6.405 ( 0.000 2.624 1.013) 2.812 6.517 ( 0.000 -6.061 -4.322) 7.444 6.540 ( 0.000 0.678 -13.378) 13.395 6.730 ( 0.000 16.741 4.426) 17.316 6.759 ( 0.000 16.668 0.848) 16.689 6.965 ( 0.000 -1.481 2.955) 3.305 7.013 ( 0.000 17.669 -1.456) 17.729 7.023 ( 0.000 -15.551 1.379) 15.612 7.136 ( 0.000 -6.877 -3.102) 7.544 7.570 ( 0.000 -14.928 2.235) 15.094 7.634 ( 0.000 -6.464 5.285) 8.350 7.649 ( 0.000 8.959 -2.428) 9.282 8.078 ( 0.000 -0.191 1.421) 1.433 8.131 ( 0.000 1.055 0.214) 1.076 8.248 ( 0.000 -6.318 -3.326) 7.140 8.289 ( 0.000 -3.476 -3.482) 4.919 8.309 ( 0.000 7.661 -1.075) 7.736 8.508 ( 0.000 -5.035 -0.887) 5.113 8.532 ( 0.000 -6.528 1.128) 6.625 8.547 ( 0.000 -6.507 1.284) 6.633 8.628 ( 0.000 -4.509 2.707) 5.259 8.746 ( 0.000 -1.796 -4.225) 4.591 8.825 ( 0.000 1.697 -0.062) 1.698 9.015 ( 0.000 -3.425 -13.766) 14.186 9.163 ( 0.000 2.736 -5.813) 6.425 9.209 ( 0.000 1.319 -2.116) 2.493 9.342 ( 0.000 -3.018 -5.440) 6.221 9.447 ( 0.000 -1.938 -11.689) 11.848 9.507 ( 0.000 -2.591 -13.122) 13.376 9.508 ( 0.000 -1.052 -4.088) 4.221 9.565 ( 0.000 -4.442 -4.193) 6.108 9.822 ( 0.000 -10.953 3.065) 11.374 10.077 ( 0.000 -10.809 6.498) 12.612 10.565 ( 0.000 5.315 -4.705) 7.098 10.638 ( 0.000 2.067 16.043) 16.176 10.681 ( 0.000 -1.546 19.315) 19.377 10.892 ( 0.000 -4.901 20.239) 20.824 11.306 ( 0.000 0.814 -8.714) 8.752 11.327 ( 0.000 5.087 -0.357) 5.099 11.520 ( 0.000 -7.143 0.789) 7.186 11.866 ( 0.000 -10.301 -1.516) 10.412 12.629 ( 0.000 3.653 2.358) 4.348 12.704 ( 0.000 4.682 1.949) 5.072 13.172 ( 0.000 -8.115 4.522) 9.290 13.209 ( 0.000 -14.229 3.107) 14.564 14.036 ( 0.000 9.495 -8.384) 12.666 14.192 ( 0.000 7.644 -16.581) 18.259 14.260 ( 0.000 7.648 0.413) 7.659 14.504 ( 0.000 0.570 -9.148) 9.166 14.633 ( 0.000 1.242 4.176) 4.357 14.639 ( 0.000 -2.913 3.533) 4.579 14.826 ( 0.000 -4.739 4.058) 6.239 15.090 ( 0.000 -13.229 11.305) 17.401 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 12.623 25.101 13.802) 31.304 1.914 ( 10.098 21.929 29.500) 38.119 2.473 ( -20.427 11.753 9.659) 25.470 2.529 ( -18.276 14.784 13.292) 27.005 2.930 ( 11.407 26.844 13.787) 32.261 3.087 ( 5.322 -3.178 0.880) 6.261 3.157 ( -1.161 -7.389 6.681) 10.029 3.271 ( 1.537 -5.927 6.536) 8.956 3.556 ( 4.707 -2.396 -6.721) 8.548 3.647 ( 9.191 3.865 3.591) 10.598 3.817 ( 1.309 -5.130 0.987) 5.386 4.058 ( -2.446 0.042 3.507) 4.276 4.089 ( -1.463 4.084 -5.965) 7.376 4.248 ( -5.382 2.419 -1.778) 6.162 4.501 ( -2.692 6.790 4.554) 8.608 4.547 ( -5.629 9.330 -0.771) 10.924 4.624 ( 11.174 5.319 -2.226) 12.574 4.681 ( 1.860 10.077 1.054) 10.301 4.763 ( -2.940 7.357 -2.832) 8.414 4.936 ( -1.431 7.757 -0.777) 7.926 5.299 ( -1.941 2.857 -6.774) 7.604 5.304 ( -2.796 -5.672 -1.811) 6.578 5.413 ( -8.240 1.917 -1.680) 8.626 5.522 ( -1.832 2.084 4.198) 5.032 5.680 ( -10.120 1.817 -8.462) 13.317 5.787 ( -2.591 -0.066 -6.136) 6.661 5.960 ( 2.181 9.076 -0.189) 9.336 6.001 ( -0.290 -0.096 1.537) 1.567 6.032 ( 5.395 3.457 -3.499) 7.301 6.235 ( 2.093 -3.772 3.127) 5.328 6.304 ( -0.444 -4.724 3.451) 5.868 6.459 ( 1.192 -3.618 2.321) 4.461 6.539 ( 6.460 4.005 -5.926) 9.638 6.606 ( 3.897 2.126 -13.887) 14.579 6.719 ( -2.233 11.651 -0.939) 11.900 6.791 ( 4.183 14.611 1.175) 15.244 6.975 ( -5.288 9.815 0.345) 11.155 7.005 ( -1.367 -1.967 -2.280) 3.307 7.065 ( 7.616 6.061 4.545) 10.742 7.234 ( 8.780 -1.939 2.280) 9.276 7.379 ( -9.692 -3.993 5.555) 11.863 7.766 ( 8.565 2.133 -4.291) 9.814 7.777 ( 5.752 -5.918 -0.365) 8.261 7.963 ( -14.721 -1.697 0.554) 14.829 8.097 ( 1.861 -3.481 1.013) 4.075 8.191 ( 2.505 -2.178 2.214) 3.990 8.326 ( 0.848 3.363 -0.101) 3.469 8.387 ( -0.831 -6.949 -3.733) 7.932 8.445 ( 1.170 -3.029 -6.154) 6.959 8.565 ( -0.046 -7.555 3.118) 8.173 8.585 ( 1.891 -6.291 0.417) 6.582 8.632 ( -1.175 -5.330 -0.135) 5.460 8.721 ( -0.610 -1.073 -0.645) 1.393 8.780 ( -3.770 -1.232 -3.346) 5.189 9.034 ( 1.270 -0.184 -10.746) 10.822 9.122 ( -2.946 2.498 0.188) 3.868 9.205 ( 0.005 0.489 -8.403) 8.418 9.301 ( -2.070 -3.801 -2.645) 5.073 9.454 ( -0.498 -3.706 -11.268) 11.872 9.488 ( -1.587 -2.319 -15.633) 15.884 9.557 ( 4.304 -1.750 -5.020) 6.840 9.630 ( 3.659 -2.886 -4.395) 6.406 9.836 ( 3.001 -13.171 4.181) 14.141 10.070 ( -1.929 -14.194 5.239) 15.252 10.537 ( -1.748 8.709 -1.238) 8.969 10.584 ( -3.061 5.244 14.065) 15.320 10.747 ( 4.165 -2.861 18.528) 19.204 10.885 ( -1.358 -5.573 20.727) 21.506 11.265 ( -0.128 5.551 -4.940) 7.432 11.360 ( -0.509 1.381 0.289) 1.501 11.567 ( 4.661 -6.728 -2.737) 8.630 11.810 ( -5.156 -9.045 -2.755) 10.769 12.641 ( 1.160 3.748 2.372) 4.584 12.695 ( -0.910 4.403 2.112) 4.967 13.175 ( 0.332 -8.460 4.282) 9.488 13.201 ( -0.709 -12.597 3.392) 13.065 14.063 ( 2.665 10.198 -6.694) 12.486 14.196 ( -1.493 9.053 -7.811) 12.049 14.274 ( 3.024 4.225 -8.064) 9.593 14.467 ( -3.662 0.347 -9.824) 10.490 14.632 ( 0.055 -0.076 4.404) 4.405 14.640 ( -0.081 -1.239 3.012) 3.258 14.844 ( 2.000 -5.317 5.291) 7.763 15.023 ( -5.581 -10.494 10.551) 15.893 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -21.415 16.699 11.822) 29.618 2.019 ( 21.415 16.699 11.822) 29.618 2.187 ( -15.316 18.260 21.680) 32.219 2.187 ( 15.316 18.260 21.680) 32.219 3.082 ( -2.754 -7.592 3.215) 8.693 3.082 ( 2.754 -7.592 3.215) 8.693 3.225 ( -4.751 2.173 5.792) 7.800 3.225 ( 4.751 2.173 5.792) 7.800 3.732 ( -8.498 -2.172 -1.207) 8.854 3.732 ( 8.498 -2.172 -1.207) 8.854 3.892 ( -13.378 13.289 8.340) 20.619 3.892 ( 13.378 13.289 8.340) 20.619 4.137 ( -5.792 0.955 -5.932) 8.346 4.137 ( 5.792 0.955 -5.932) 8.346 4.422 ( -1.808 8.765 2.046) 9.180 4.422 ( 1.808 8.765 2.046) 9.180 4.747 ( -1.352 7.459 -1.606) 7.749 4.747 ( 1.352 7.459 -1.606) 7.749 4.867 ( -6.867 7.200 -0.343) 9.956 4.867 ( 6.867 7.200 -0.343) 9.956 5.278 ( -1.824 0.381 0.750) 2.008 5.278 ( 1.824 0.381 0.750) 2.008 5.380 ( -11.825 5.056 -10.688) 16.722 5.380 ( 11.825 5.056 -10.688) 16.722 5.642 ( -8.966 -3.915 -0.502) 9.796 5.642 ( 8.966 -3.915 -0.502) 9.796 5.975 ( -0.894 4.751 1.903) 5.195 5.975 ( 0.894 4.751 1.903) 5.195 6.202 ( -4.481 -4.139 -1.332) 6.243 6.202 ( 4.481 -4.139 -1.332) 6.243 6.393 ( -7.102 -7.603 -1.646) 10.533 6.393 ( 7.102 -7.603 -1.646) 10.533 6.661 ( -2.907 4.776 -6.991) 8.951 6.661 ( 2.907 4.776 -6.991) 8.951 6.750 ( -10.468 5.685 -2.376) 12.147 6.750 ( 10.468 5.685 -2.376) 12.147 6.939 ( -4.233 12.355 0.852) 13.088 6.939 ( 4.233 12.355 0.852) 13.088 7.209 ( -6.800 7.884 4.867) 11.493 7.209 ( 6.800 7.884 4.867) 11.493 7.536 ( -18.955 -0.241 4.297) 19.438 7.536 ( 18.955 -0.241 4.297) 19.438 7.899 ( -2.946 -5.988 -4.810) 8.226 7.899 ( 2.946 -5.988 -4.810) 8.226 8.180 ( -5.123 -1.982 1.118) 5.606 8.180 ( 5.123 -1.982 1.118) 5.606 8.331 ( -0.806 -3.200 -1.191) 3.508 8.331 ( 0.806 -3.200 -1.191) 3.508 8.541 ( -4.239 -4.180 -3.526) 6.919 8.541 ( 4.239 -4.180 -3.526) 6.919 8.586 ( -1.869 -6.754 1.007) 7.080 8.586 ( 1.869 -6.754 1.007) 7.080 8.729 ( -0.736 -3.273 -2.259) 4.044 8.729 ( 0.736 -3.273 -2.259) 4.044 9.064 ( -2.190 2.892 -2.681) 4.511 9.064 ( 2.190 2.892 -2.681) 4.511 9.248 ( -3.262 -3.555 -6.426) 8.036 9.248 ( 3.262 -3.555 -6.426) 8.036 9.456 ( -1.061 -2.909 -13.328) 13.683 9.456 ( 1.061 -2.909 -13.328) 13.683 9.634 ( -2.656 -2.503 -4.243) 5.597 9.634 ( 2.656 -2.503 -4.243) 5.597 9.966 ( -7.826 -16.296 3.099) 18.341 9.966 ( 7.826 -16.296 3.099) 18.341 10.535 ( -1.596 9.879 7.368) 12.427 10.535 ( 1.596 9.879 7.368) 12.427 10.829 ( -3.834 -4.466 19.013) 19.903 10.829 ( 3.834 -4.466 19.013) 19.903 11.310 ( -3.538 3.716 -0.240) 5.137 11.310 ( 3.538 3.716 -0.240) 5.137 11.686 ( -6.597 -7.301 -4.343) 10.756 11.686 ( 6.597 -7.301 -4.343) 10.756 12.669 ( -1.492 3.995 2.325) 4.857 12.669 ( 1.492 3.995 2.325) 4.857 13.186 ( -0.729 -9.934 3.858) 10.682 13.186 ( 0.729 -9.934 3.858) 10.682 14.133 ( -3.923 10.302 -4.307) 11.836 14.133 ( 3.923 10.302 -4.307) 11.836 14.370 ( -5.500 0.923 -11.242) 12.549 14.370 ( 5.500 0.923 -11.242) 12.549 14.636 ( -0.272 -0.574 3.628) 3.683 14.636 ( 0.272 -0.574 3.628) 3.683 14.913 ( -4.774 -7.016 7.960) 11.635 14.913 ( 4.774 -7.016 7.960) 11.635 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.000 30.332 9.138) 31.679 2.295 ( 0.000 24.684 19.365) 31.374 2.728 ( 0.000 -23.317 4.735) 23.793 2.800 ( 0.000 -20.630 7.313) 21.887 2.925 ( 0.000 2.126 1.366) 2.527 2.970 ( 0.000 1.542 7.801) 7.952 3.015 ( 0.000 8.894 5.435) 10.423 3.290 ( 0.000 -10.895 1.098) 10.950 3.695 ( 0.000 12.232 4.885) 13.171 3.703 ( 0.000 11.508 2.279) 11.732 3.880 ( 0.000 9.571 1.713) 9.723 3.984 ( 0.000 -13.151 -3.406) 13.585 4.031 ( 0.000 16.589 15.117) 22.443 4.363 ( 0.000 5.006 -1.735) 5.298 4.441 ( 0.000 -1.865 -0.997) 2.115 4.533 ( 0.000 -13.638 15.143) 20.379 4.707 ( 0.000 13.772 -6.157) 15.086 4.966 ( 0.000 -5.561 -5.281) 7.669 5.014 ( 0.000 8.720 -11.324) 14.293 5.130 ( 0.000 6.554 3.287) 7.332 5.158 ( 0.000 -6.916 -10.653) 12.701 5.174 ( 0.000 -9.592 -4.417) 10.560 5.538 ( 0.000 9.681 -0.238) 9.684 5.726 ( 0.000 -5.511 -0.153) 5.513 5.735 ( 0.000 16.785 -6.777) 18.102 5.999 ( 0.000 9.626 0.817) 9.661 6.009 ( 0.000 -4.990 0.606) 5.026 6.083 ( 0.000 2.555 -1.599) 3.014 6.109 ( 0.000 12.941 4.419) 13.675 6.253 ( 0.000 -4.356 1.241) 4.529 6.274 ( 0.000 -12.894 -0.450) 12.901 6.425 ( 0.000 -11.840 -4.447) 12.647 6.468 ( 0.000 11.976 -9.732) 15.432 6.546 ( 0.000 7.239 -6.585) 9.786 6.682 ( 0.000 -11.847 -4.669) 12.733 6.764 ( 0.000 -11.081 -5.520) 12.380 6.879 ( 0.000 0.400 -0.942) 1.024 7.007 ( 0.000 -10.102 -4.213) 10.945 7.175 ( 0.000 18.946 4.799) 19.544 7.336 ( 0.000 14.764 11.647) 18.805 7.438 ( 0.000 -2.854 3.739) 4.703 7.588 ( 0.000 -5.354 13.208) 14.252 7.842 ( 0.000 10.420 -3.227) 10.908 8.033 ( 0.000 -6.355 -1.547) 6.541 8.133 ( 0.000 -1.227 0.538) 1.340 8.169 ( 0.000 0.256 0.373) 0.452 8.240 ( 0.000 1.059 1.543) 1.872 8.346 ( 0.000 -6.259 2.347) 6.685 8.436 ( 0.000 -0.464 2.439) 2.482 8.449 ( 0.000 -0.565 -0.481) 0.742 8.587 ( 0.000 3.417 -1.929) 3.924 8.595 ( 0.000 10.097 -7.059) 12.320 8.745 ( 0.000 -0.059 -6.842) 6.842 8.807 ( 0.000 -7.372 -1.085) 7.451 8.946 ( 0.000 2.742 -5.646) 6.277 9.167 ( 0.000 -10.799 5.747) 12.233 9.255 ( 0.000 2.148 -17.773) 17.903 9.262 ( 0.000 4.486 -4.145) 6.108 9.366 ( 0.000 -6.457 -8.379) 10.579 9.388 ( 0.000 -7.780 -2.705) 8.237 9.505 ( 0.000 1.064 -6.624) 6.709 9.529 ( 0.000 -0.672 -9.142) 9.167 9.672 ( 0.000 -2.040 -3.462) 4.018 9.774 ( 0.000 -13.097 -2.872) 13.408 10.646 ( 0.000 -0.280 18.886) 18.888 10.649 ( 0.000 -0.448 18.543) 18.548 10.694 ( 0.000 5.039 14.419) 15.274 10.791 ( 0.000 -4.922 20.218) 20.808 11.358 ( 0.000 3.228 -9.999) 10.507 11.421 ( 0.000 -3.314 -5.785) 6.667 11.471 ( 0.000 8.910 -4.262) 9.876 11.665 ( 0.000 -10.118 -4.762) 11.183 12.741 ( 0.000 7.763 2.044) 8.027 12.824 ( 0.000 7.180 2.666) 7.659 12.942 ( 0.000 -11.882 2.826) 12.214 12.994 ( 0.000 -9.141 3.958) 9.962 14.194 ( 0.000 5.690 -8.874) 10.542 14.253 ( 0.000 -0.308 -10.613) 10.617 14.390 ( 0.000 5.506 -2.309) 5.971 14.483 ( 0.000 -3.465 -5.870) 6.816 14.631 ( 0.000 2.107 3.474) 4.063 14.668 ( 0.000 0.445 7.146) 7.160 14.765 ( 0.000 0.766 0.827) 1.127 14.877 ( 0.000 -8.631 6.202) 10.629 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 4.770 26.692 9.309) 28.668 2.374 ( 7.486 23.482 17.795) 30.399 2.687 ( -6.478 -6.926 4.783) 10.622 2.709 ( -11.481 0.101 6.950) 13.421 2.858 ( -5.972 2.900 10.047) 12.043 2.887 ( 1.601 -14.149 6.474) 15.642 2.915 ( -8.697 -9.877 5.531) 14.276 3.197 ( -7.413 -14.233 2.393) 16.225 3.704 ( 5.641 10.429 -2.008) 12.026 3.854 ( 1.072 7.833 0.951) 7.963 3.909 ( 5.321 -7.245 -1.021) 9.047 4.001 ( 2.606 1.614 -0.603) 3.124 4.112 ( 7.437 21.387 14.726) 27.010 4.410 ( 4.103 10.853 -0.873) 11.636 4.563 ( 7.497 -4.686 1.279) 8.933 4.583 ( 6.664 -9.340 9.748) 15.056 4.774 ( 4.596 10.683 -4.595) 12.504 4.896 ( -3.431 2.729 -5.761) 7.240 4.997 ( -4.932 13.028 -0.646) 13.945 5.092 ( -3.683 5.232 0.604) 6.427 5.183 ( 2.605 -4.316 -5.386) 7.377 5.233 ( 5.532 -9.481 -11.589) 15.962 5.424 ( -6.598 5.610 -4.566) 9.790 5.598 ( -11.423 -5.962 -3.926) 13.470 5.686 ( -6.359 9.777 0.250) 11.666 5.872 ( -6.609 9.003 1.540) 11.274 5.928 ( -5.435 -6.474 0.618) 8.476 6.047 ( -9.777 -2.748 -2.321) 10.417 6.101 ( 3.067 3.192 -2.388) 5.029 6.200 ( -1.679 1.054 1.837) 2.702 6.231 ( -1.890 -8.432 -1.477) 8.766 6.297 ( -3.999 -4.483 1.239) 6.134 6.604 ( 5.054 1.668 -9.118) 10.558 6.657 ( 6.520 4.551 -6.709) 10.403 6.711 ( -1.027 -8.376 -5.830) 10.256 6.758 ( 0.539 -6.262 -5.231) 8.177 7.069 ( 13.895 5.934 -1.234) 15.160 7.168 ( 14.410 -5.328 -2.425) 15.554 7.258 ( 8.747 14.865 5.523) 18.110 7.343 ( 0.472 16.657 9.897) 19.381 7.455 ( 0.882 1.305 4.689) 4.946 7.616 ( 2.752 -8.761 8.811) 12.727 7.868 ( -3.146 3.336 -0.668) 4.634 7.929 ( -10.433 -2.753 1.967) 10.968 8.083 ( 1.572 4.388 1.149) 4.801 8.209 ( 1.190 2.547 2.221) 3.583 8.230 ( 0.713 -6.657 -1.005) 6.770 8.314 ( -2.761 -4.894 1.194) 5.744 8.436 ( 0.504 0.869 -4.923) 5.025 8.447 ( 0.067 -2.476 0.500) 2.527 8.565 ( -2.611 2.710 -7.075) 8.014 8.590 ( -1.914 3.538 -4.152) 5.781 8.725 ( -0.760 2.559 -2.758) 3.838 8.804 ( -1.711 2.729 2.630) 4.158 8.934 ( 1.112 -6.855 -9.064) 11.419 9.101 ( -5.179 -11.712 0.278) 12.810 9.239 ( -0.623 4.995 -8.247) 9.662 9.266 ( -0.449 4.108 -3.941) 5.710 9.367 ( -0.144 -5.412 -6.764) 8.664 9.392 ( -0.572 -8.217 -3.861) 9.097 9.534 ( 2.890 0.304 -8.319) 8.812 9.569 ( 4.092 -3.102 -7.776) 9.318 9.654 ( -1.668 -1.868 -4.301) 4.977 9.753 ( -2.426 -12.516 -3.256) 13.159 10.643 ( 0.699 2.216 17.513) 17.666 10.682 ( 0.412 3.390 14.391) 14.791 10.692 ( 1.565 -0.666 18.972) 19.048 10.781 ( -1.094 -4.790 19.749) 20.350 11.375 ( 1.650 4.683 -8.410) 9.767 11.446 ( 0.575 2.682 -3.474) 4.427 11.472 ( 1.668 0.838 -7.039) 7.282 11.631 ( -3.231 -9.020 -5.300) 10.950 12.754 ( 1.287 7.766 2.187) 8.171 12.814 ( -1.003 7.447 2.672) 7.976 12.951 ( 0.830 -11.629 2.900) 12.014 12.988 ( -0.590 -9.593 3.747) 10.315 14.225 ( 2.859 5.611 -7.563) 9.841 14.282 ( 2.856 -0.245 -9.996) 10.399 14.365 ( -2.400 5.177 -2.799) 6.356 14.448 ( -3.257 -2.847 -6.114) 7.490 14.642 ( 1.010 2.596 3.431) 4.419 14.680 ( 0.640 2.236 5.663) 6.122 14.752 ( -0.549 -2.134 2.005) 2.979 14.842 ( -3.048 -7.796 5.885) 10.233 ======================= Grid point 52 (24/60) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -13.718 18.560 9.358) 24.904 2.372 ( 13.718 18.560 9.358) 24.904 2.578 ( -10.461 19.076 11.930) 24.813 2.578 ( 10.461 19.076 11.930) 24.813 2.768 ( -3.581 -15.997 8.610) 18.517 2.768 ( 3.581 -15.997 8.610) 18.517 3.031 ( -8.623 -19.863 3.691) 21.966 3.031 ( 8.623 -19.863 3.691) 21.966 3.816 ( -4.278 8.002 -0.971) 9.126 3.816 ( 4.278 8.002 -0.971) 9.126 3.981 ( -2.757 -7.723 -2.665) 8.623 3.981 ( 2.757 -7.723 -2.665) 8.623 4.375 ( -12.532 23.317 9.607) 28.160 4.375 ( 12.532 23.317 9.607) 28.160 4.636 ( -1.232 2.633 2.210) 3.652 4.636 ( 1.232 2.633 2.210) 3.652 4.872 ( -4.437 5.295 -1.347) 7.038 4.872 ( 4.437 5.295 -1.347) 7.038 4.964 ( -8.409 1.037 -1.404) 8.588 4.964 ( 8.409 1.037 -1.404) 8.588 5.299 ( -7.663 2.084 -5.319) 9.558 5.299 ( 7.663 2.084 -5.319) 9.558 5.360 ( -8.703 -4.429 -10.795) 14.556 5.360 ( 8.703 -4.429 -10.795) 14.556 5.696 ( -8.266 7.814 1.878) 11.529 5.696 ( 8.266 7.814 1.878) 11.529 5.901 ( -3.374 -11.270 2.781) 12.088 5.901 ( 3.374 -11.270 2.781) 12.088 6.177 ( -2.503 1.131 -2.435) 3.671 6.177 ( 2.503 1.131 -2.435) 3.671 6.223 ( -1.898 -4.761 -0.151) 5.128 6.223 ( 1.898 -4.761 -0.151) 5.128 6.686 ( -2.137 0.281 -7.644) 7.942 6.686 ( 2.137 0.281 -7.644) 7.942 6.729 ( -2.698 -3.914 -6.403) 7.974 6.729 ( 2.698 -3.914 -6.403) 7.974 7.280 ( -6.029 16.097 4.335) 17.727 7.280 ( 6.029 16.097 4.335) 17.727 7.409 ( -6.448 4.774 2.349) 8.359 7.409 ( 6.448 4.774 2.349) 8.359 7.573 ( -18.863 4.497 3.532) 19.711 7.573 ( 18.863 4.497 3.532) 19.711 7.745 ( -10.017 -9.574 4.688) 14.629 7.745 ( 10.017 -9.574 4.688) 14.629 8.187 ( -4.548 2.741 0.943) 5.393 8.187 ( 4.548 2.741 0.943) 5.393 8.262 ( -1.567 -3.745 0.822) 4.142 8.262 ( 1.567 -3.745 0.822) 4.142 8.469 ( -0.580 -0.297 -6.436) 6.469 8.469 ( 0.580 -0.297 -6.436) 6.469 8.509 ( -0.992 -2.195 -6.164) 6.618 8.509 ( 0.992 -2.195 -6.164) 6.618 8.752 ( -2.672 7.384 1.806) 8.057 8.752 ( 2.672 7.384 1.806) 8.057 9.000 ( -4.539 -12.387 -4.886) 14.068 9.000 ( 4.539 -12.387 -4.886) 14.068 9.244 ( -1.105 5.093 -3.812) 6.457 9.244 ( 1.105 5.093 -3.812) 6.457 9.372 ( -0.823 -6.034 -4.883) 7.806 9.372 ( 0.823 -6.034 -4.883) 7.806 9.599 ( -3.003 -0.236 -7.652) 8.224 9.599 ( 3.003 -0.236 -7.652) 8.224 9.675 ( -4.921 -9.560 -4.431) 11.629 9.675 ( 4.921 -9.560 -4.431) 11.629 10.665 ( -1.207 4.416 15.785) 16.436 10.665 ( 1.207 4.416 15.785) 16.436 10.744 ( -2.504 -3.988 18.793) 19.374 10.744 ( 2.504 -3.988 18.793) 19.374 11.417 ( -2.254 6.461 -5.355) 8.690 11.417 ( 2.254 6.461 -5.355) 8.690 11.549 ( -4.556 -6.656 -6.434) 10.318 11.549 ( 4.556 -6.656 -6.434) 10.318 12.786 ( -1.653 7.711 2.492) 8.270 12.786 ( 1.653 7.711 2.492) 8.270 12.971 ( -1.033 -10.677 3.267) 11.214 12.971 ( 1.033 -10.677 3.267) 11.214 14.294 ( -3.560 5.700 -5.299) 8.558 14.294 ( 3.560 5.700 -5.299) 8.558 14.366 ( -4.337 -1.729 -7.470) 8.809 14.366 ( 4.337 -1.729 -7.470) 8.809 14.669 ( -1.485 3.992 3.406) 5.454 14.669 ( 1.485 3.992 3.406) 5.454 14.777 ( -2.846 -6.440 4.878) 8.565 14.777 ( 2.846 -6.440 4.878) 8.565 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.000 0.000 32.581) 32.581 1.475 ( 0.000 0.000 32.378) 32.378 2.373 ( 0.000 0.000 13.144) 13.144 2.743 ( 0.000 0.000 4.199) 4.199 3.042 ( 0.000 0.000 14.776) 14.776 3.216 ( 0.000 0.000 4.694) 4.694 3.275 ( 0.000 0.000 27.761) 27.761 3.380 ( 0.000 0.000 33.415) 33.415 3.505 ( 0.000 0.000 -7.427) 7.427 3.606 ( 0.000 0.000 -12.893) 12.893 3.729 ( 0.000 0.000 2.994) 2.994 3.892 ( 0.000 0.000 -11.401) 11.401 3.927 ( 0.000 0.000 15.515) 15.515 4.241 ( 0.000 0.000 -3.960) 3.960 4.300 ( 0.000 0.000 -10.120) 10.120 4.472 ( 0.000 0.000 -4.117) 4.117 4.643 ( 0.000 0.000 -4.989) 4.989 4.721 ( 0.000 0.000 14.767) 14.767 4.944 ( 0.000 0.000 -2.028) 2.028 4.989 ( 0.000 0.000 8.725) 8.725 5.182 ( 0.000 0.000 -15.703) 15.703 5.190 ( 0.000 0.000 -9.549) 9.549 5.376 ( 0.000 0.000 13.771) 13.771 5.512 ( 0.000 0.000 -0.071) 0.071 5.548 ( 0.000 0.000 3.373) 3.373 5.596 ( 0.000 0.000 4.242) 4.242 5.683 ( 0.000 0.000 -12.339) 12.339 5.729 ( 0.000 0.000 -1.607) 1.607 5.919 ( 0.000 0.000 -6.068) 6.068 5.936 ( 0.000 0.000 0.199) 0.199 6.130 ( 0.000 0.000 -8.543) 8.543 6.250 ( 0.000 0.000 8.192) 8.192 6.331 ( 0.000 0.000 5.990) 5.990 6.460 ( 0.000 0.000 2.423) 2.423 6.521 ( 0.000 0.000 -11.439) 11.439 6.680 ( 0.000 0.000 -2.009) 2.009 6.742 ( 0.000 0.000 11.138) 11.138 7.210 ( 0.000 0.000 4.180) 4.180 7.287 ( 0.000 0.000 8.074) 8.074 7.389 ( 0.000 0.000 -10.984) 10.984 7.498 ( 0.000 0.000 2.559) 2.559 7.572 ( 0.000 0.000 -12.023) 12.023 8.016 ( 0.000 0.000 -0.190) 0.190 8.056 ( 0.000 0.000 1.468) 1.468 8.065 ( 0.000 0.000 -13.636) 13.636 8.158 ( 0.000 0.000 0.519) 0.519 8.198 ( 0.000 0.000 -8.136) 8.136 8.334 ( 0.000 0.000 0.444) 0.444 8.568 ( 0.000 0.000 -2.391) 2.391 8.627 ( 0.000 0.000 -3.207) 3.207 8.639 ( 0.000 0.000 -15.251) 15.251 8.678 ( 0.000 0.000 -7.977) 7.977 8.740 ( 0.000 0.000 -1.278) 1.278 8.866 ( 0.000 0.000 1.942) 1.942 8.903 ( 0.000 0.000 0.914) 0.914 8.914 ( 0.000 0.000 -28.081) 28.081 9.045 ( 0.000 0.000 -1.607) 1.607 9.159 ( 0.000 0.000 2.203) 2.203 9.241 ( 0.000 0.000 -7.057) 7.057 9.443 ( 0.000 0.000 -1.399) 1.399 9.666 ( 0.000 0.000 -5.894) 5.894 9.810 ( 0.000 0.000 -3.295) 3.295 9.819 ( 0.000 0.000 2.140) 2.140 9.846 ( 0.000 0.000 4.290) 4.290 10.738 ( 0.000 0.000 16.879) 16.879 10.852 ( 0.000 0.000 -4.748) 4.748 10.908 ( 0.000 0.000 12.649) 12.649 11.029 ( 0.000 0.000 -0.369) 0.369 11.358 ( 0.000 0.000 10.745) 10.745 11.483 ( 0.000 0.000 6.519) 6.519 11.928 ( 0.000 0.000 4.092) 4.092 12.357 ( 0.000 0.000 -8.142) 8.142 12.653 ( 0.000 0.000 1.800) 1.800 12.665 ( 0.000 0.000 3.788) 3.788 13.250 ( 0.000 0.000 0.508) 0.508 13.495 ( 0.000 0.000 -4.606) 4.606 13.600 ( 0.000 0.000 7.754) 7.754 13.805 ( 0.000 0.000 0.211) 0.211 14.016 ( 0.000 0.000 0.300) 0.300 14.306 ( 0.000 0.000 -11.802) 11.802 14.713 ( 0.000 0.000 5.086) 5.086 14.796 ( 0.000 0.000 3.154) 3.154 15.115 ( 0.000 0.000 7.673) 7.673 15.642 ( 0.000 0.000 -5.032) 5.032 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 11.998 0.000 28.707) 31.113 1.700 ( 21.562 0.000 26.330) 34.032 2.227 ( -13.287 0.000 15.781) 20.630 2.574 ( -15.158 0.000 13.076) 20.018 3.158 ( 8.734 0.000 7.249) 11.351 3.268 ( 5.236 0.000 1.962) 5.592 3.313 ( 1.222 0.000 -1.261) 1.756 3.458 ( 10.633 0.000 60.118) 61.051 3.538 ( -1.255 0.000 -8.891) 8.979 3.646 ( 0.635 0.000 -1.869) 1.974 3.747 ( 8.094 0.000 -6.833) 10.593 3.838 ( -2.656 0.000 -10.556) 10.886 3.945 ( -0.460 0.000 20.337) 20.342 4.279 ( -3.221 0.000 -9.907) 10.418 4.367 ( 2.377 0.000 -4.493) 5.083 4.394 ( -7.933 0.000 -0.847) 7.978 4.453 ( -7.594 0.000 -5.121) 9.159 4.680 ( -2.126 0.000 9.741) 9.970 4.752 ( -12.067 0.000 2.525) 12.328 4.876 ( -9.329 0.000 5.285) 10.722 5.163 ( -5.841 0.000 -6.934) 9.066 5.196 ( -7.234 0.000 -2.564) 7.675 5.346 ( 11.300 0.000 -8.821) 14.335 5.405 ( -4.362 0.000 0.177) 4.366 5.523 ( -4.189 0.000 -4.990) 6.515 5.614 ( -0.137 0.000 1.866) 1.871 5.790 ( 6.081 0.000 -0.076) 6.081 5.931 ( 18.838 0.000 0.397) 18.842 5.963 ( 3.026 0.000 -0.608) 3.086 6.134 ( 13.643 0.000 -4.549) 14.382 6.185 ( -5.630 0.000 7.940) 9.734 6.257 ( 9.308 0.000 -3.571) 9.970 6.334 ( -0.949 0.000 4.377) 4.479 6.410 ( -4.646 0.000 -1.739) 4.961 6.428 ( -6.226 0.000 -3.962) 7.379 6.654 ( -4.529 0.000 8.516) 9.645 6.700 ( -1.284 0.000 -3.932) 4.137 7.180 ( -9.361 0.000 0.353) 9.368 7.346 ( 5.107 0.000 5.179) 7.273 7.371 ( -0.630 0.000 -3.187) 3.249 7.550 ( -2.859 0.000 -7.979) 8.475 7.551 ( 9.150 0.000 -1.096) 9.216 7.824 ( -12.125 0.000 -7.725) 14.377 8.035 ( 3.732 0.000 -1.663) 4.085 8.121 ( 3.253 0.000 -0.932) 3.384 8.200 ( -8.374 0.000 -4.655) 9.580 8.215 ( 4.129 0.000 -12.506) 13.170 8.344 ( 3.359 0.000 -6.509) 7.325 8.486 ( -0.110 0.000 -6.027) 6.028 8.640 ( 0.919 0.000 -3.024) 3.160 8.660 ( -4.242 0.000 -2.939) 5.161 8.713 ( -2.172 0.000 -1.088) 2.429 8.834 ( -1.751 0.000 3.246) 3.688 8.865 ( 10.452 0.000 -12.913) 16.613 8.884 ( -2.067 0.000 0.449) 2.115 8.960 ( 4.483 0.000 -24.277) 24.687 9.076 ( 2.469 0.000 -0.837) 2.607 9.150 ( -0.871 0.000 1.541) 1.770 9.328 ( 7.746 0.000 -6.821) 10.321 9.471 ( 3.186 0.000 -5.459) 6.321 9.616 ( -2.281 0.000 -1.882) 2.957 9.823 ( -0.802 0.000 -6.422) 6.472 9.824 ( 0.409 0.000 2.468) 2.501 9.842 ( -0.324 0.000 3.982) 3.996 10.661 ( -5.523 0.000 13.204) 14.313 10.717 ( -8.099 0.000 9.226) 12.276 11.010 ( 6.773 0.000 4.434) 8.095 11.120 ( 4.966 0.000 -1.744) 5.264 11.354 ( 0.703 0.000 13.773) 13.791 11.487 ( -0.587 0.000 5.688) 5.718 11.931 ( 0.906 0.000 4.281) 4.376 12.201 ( -11.700 0.000 -1.734) 11.828 12.676 ( 0.965 0.000 3.417) 3.551 12.690 ( 1.587 0.000 0.803) 1.779 13.268 ( 1.772 0.000 0.479) 1.835 13.410 ( -5.144 0.000 -0.529) 5.171 13.710 ( 7.493 0.000 3.332) 8.200 13.906 ( 8.780 0.000 -4.140) 9.708 13.973 ( -4.163 0.000 0.670) 4.217 14.249 ( -5.487 0.000 -11.242) 12.509 14.737 ( 2.159 0.000 5.169) 5.602 14.806 ( 0.339 0.000 4.139) 4.153 15.136 ( 2.978 0.000 6.448) 7.103 15.504 ( -11.727 0.000 -0.630) 11.744 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -17.039 0.000 21.691) 27.583 1.908 ( 17.039 0.000 21.691) 27.583 2.177 ( -23.485 0.000 18.853) 30.116 2.177 ( 23.485 0.000 18.853) 30.116 3.296 ( -3.673 0.000 4.225) 5.598 3.296 ( 3.673 0.000 4.225) 5.598 3.409 ( -8.160 0.000 -2.085) 8.422 3.409 ( 8.160 0.000 -2.085) 8.422 3.726 ( -5.320 0.000 -7.389) 9.105 3.726 ( 5.320 0.000 -7.389) 9.105 3.771 ( -17.002 0.000 44.040) 47.208 3.771 ( 17.002 0.000 44.040) 47.208 4.058 ( -17.596 0.000 -8.802) 19.675 4.058 ( 17.596 0.000 -8.802) 19.675 4.240 ( -4.350 0.000 -7.930) 9.045 4.240 ( 4.350 0.000 -7.930) 9.045 4.652 ( -12.445 0.000 1.692) 12.559 4.652 ( 12.445 0.000 1.692) 12.559 4.658 ( -1.259 0.000 3.097) 3.344 4.658 ( 1.259 0.000 3.097) 3.344 5.089 ( -1.064 0.000 -4.073) 4.209 5.089 ( 1.064 0.000 -4.073) 4.209 5.430 ( -4.161 0.000 -5.532) 6.922 5.430 ( 4.161 0.000 -5.532) 6.922 5.540 ( -7.184 0.000 -2.744) 7.690 5.540 ( 7.184 0.000 -2.744) 7.690 5.944 ( -7.544 0.000 3.050) 8.138 5.944 ( 7.544 0.000 3.050) 8.138 6.187 ( -8.695 0.000 -3.475) 9.364 6.187 ( 8.695 0.000 -3.475) 9.364 6.222 ( -7.309 0.000 -0.237) 7.313 6.222 ( 7.309 0.000 -0.237) 7.313 6.376 ( -1.166 0.000 4.254) 4.411 6.376 ( 1.166 0.000 4.254) 4.411 6.473 ( -11.666 0.000 2.414) 11.913 6.473 ( 11.666 0.000 2.414) 11.913 6.852 ( -16.601 0.000 -1.951) 16.715 6.852 ( 16.601 0.000 -1.951) 16.715 7.459 ( -5.629 0.000 -0.959) 5.710 7.459 ( 5.629 0.000 -0.959) 5.710 7.492 ( -10.884 0.000 -4.431) 11.751 7.492 ( 10.884 0.000 -4.431) 11.751 7.932 ( -15.745 0.000 -6.028) 16.859 7.932 ( 15.745 0.000 -6.028) 16.859 8.124 ( -3.242 0.000 -3.303) 4.629 8.124 ( 3.242 0.000 -3.303) 4.629 8.338 ( -4.143 0.000 -11.812) 12.518 8.338 ( 4.143 0.000 -11.812) 12.518 8.537 ( -5.389 0.000 -2.302) 5.860 8.537 ( 5.389 0.000 -2.302) 5.860 8.667 ( -2.118 0.000 -1.262) 2.466 8.667 ( 2.118 0.000 -1.262) 2.466 8.836 ( -1.958 0.000 2.037) 2.826 8.836 ( 1.958 0.000 2.037) 2.826 8.995 ( -2.269 0.000 -17.810) 17.954 8.995 ( 2.269 0.000 -17.810) 17.954 9.122 ( -1.940 0.000 0.283) 1.960 9.122 ( 1.940 0.000 0.283) 1.960 9.460 ( -4.903 0.000 -5.409) 7.300 9.460 ( 4.903 0.000 -5.409) 7.300 9.719 ( -9.359 0.000 -6.687) 11.502 9.719 ( 9.359 0.000 -6.687) 11.502 9.833 ( -0.512 0.000 3.235) 3.275 9.833 ( 0.512 0.000 3.235) 3.275 10.607 ( -1.628 0.000 12.959) 13.061 10.607 ( 1.628 0.000 12.959) 13.061 11.129 ( -3.969 0.000 2.227) 4.551 11.129 ( 3.969 0.000 2.227) 4.551 11.426 ( -5.175 0.000 8.985) 10.369 11.426 ( 5.175 0.000 8.985) 10.369 12.001 ( -6.863 0.000 3.220) 7.580 12.001 ( 6.863 0.000 3.220) 7.580 12.696 ( -0.707 0.000 2.242) 2.351 12.696 ( 0.707 0.000 2.242) 2.351 13.321 ( -3.577 0.000 0.309) 3.591 13.321 ( 3.577 0.000 0.309) 3.591 13.859 ( -6.928 0.000 1.665) 7.125 13.859 ( 6.928 0.000 1.665) 7.125 14.098 ( -9.228 0.000 -9.193) 13.026 14.098 ( 9.228 0.000 -9.193) 13.026 14.786 ( -2.251 0.000 5.284) 5.743 14.786 ( 2.251 0.000 5.284) 5.743 15.267 ( -10.105 0.000 3.918) 10.838 15.267 ( 10.105 0.000 3.918) 10.838 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.000 13.084 29.253) 32.046 1.850 ( 0.000 30.786 26.363) 40.531 2.614 ( 0.000 21.080 12.621) 24.569 2.771 ( 0.000 3.074 3.429) 4.605 3.017 ( 0.000 -1.611 11.418) 11.531 3.072 ( 0.000 -4.788 13.310) 14.145 3.416 ( 0.000 4.537 2.440) 5.152 3.507 ( 0.000 -3.472 -5.289) 6.327 3.519 ( 0.000 11.981 43.604) 45.220 3.603 ( 0.000 0.333 1.776) 1.807 3.779 ( 0.000 2.914 3.349) 4.440 3.909 ( 0.000 3.014 2.204) 3.734 3.970 ( 0.000 9.243 -8.509) 12.563 4.285 ( 0.000 -1.149 -9.981) 10.047 4.391 ( 0.000 10.505 0.659) 10.525 4.418 ( 0.000 -4.614 -7.715) 8.990 4.485 ( 0.000 -8.135 -0.831) 8.177 4.678 ( 0.000 -4.764 12.898) 13.749 4.793 ( 0.000 -8.142 -2.096) 8.408 4.975 ( 0.000 -1.526 3.476) 3.796 5.281 ( 0.000 1.555 -15.876) 15.952 5.367 ( 0.000 11.115 -1.410) 11.204 5.433 ( 0.000 7.256 -0.305) 7.262 5.469 ( 0.000 -0.314 -0.320) 0.449 5.562 ( 0.000 -0.469 -3.923) 3.951 5.678 ( 0.000 4.963 3.368) 5.997 5.679 ( 0.000 0.226 3.329) 3.337 5.806 ( 0.000 -1.085 -4.708) 4.832 5.877 ( 0.000 11.023 -1.509) 11.126 6.011 ( 0.000 5.008 -6.389) 8.118 6.155 ( 0.000 2.976 -7.136) 7.732 6.384 ( 0.000 11.560 4.167) 12.288 6.454 ( 0.000 9.359 4.180) 10.250 6.538 ( 0.000 3.860 2.009) 4.352 6.603 ( 0.000 -6.822 -0.321) 6.829 6.659 ( 0.000 10.622 -3.366) 11.143 6.766 ( 0.000 6.816 9.007) 11.295 7.130 ( 0.000 -6.284 8.509) 10.578 7.256 ( 0.000 -10.372 -7.108) 12.574 7.262 ( 0.000 -5.948 4.825) 7.658 7.474 ( 0.000 1.796 -2.697) 3.240 7.601 ( 0.000 0.514 -11.977) 11.988 7.869 ( 0.000 -14.176 -5.175) 15.091 8.099 ( 0.000 2.269 -0.954) 2.462 8.105 ( 0.000 2.555 -0.817) 2.682 8.134 ( 0.000 -1.780 -0.576) 1.871 8.162 ( 0.000 -0.726 -11.622) 11.645 8.316 ( 0.000 -1.237 0.738) 1.441 8.521 ( 0.000 -3.383 -2.646) 4.295 8.597 ( 0.000 -2.134 -5.004) 5.441 8.645 ( 0.000 -2.431 -8.464) 8.806 8.669 ( 0.000 1.747 -9.038) 9.205 8.744 ( 0.000 -0.725 -5.562) 5.609 8.790 ( 0.000 -6.521 -10.087) 12.011 8.817 ( 0.000 -4.576 -0.212) 4.581 8.878 ( 0.000 -3.486 -6.968) 7.791 9.164 ( 0.000 0.228 -0.713) 0.748 9.181 ( 0.000 8.192 -5.506) 9.871 9.273 ( 0.000 2.281 -4.338) 4.901 9.371 ( 0.000 -4.498 0.445) 4.520 9.616 ( 0.000 -3.610 -3.389) 4.952 9.654 ( 0.000 -7.595 2.890) 8.126 9.978 ( 0.000 3.958 -0.101) 3.960 10.064 ( 0.000 18.674 -4.148) 19.129 10.641 ( 0.000 -10.603 17.485) 20.449 10.861 ( 0.000 1.517 -5.543) 5.746 10.908 ( 0.000 0.126 13.768) 13.768 11.029 ( 0.000 0.246 -5.580) 5.585 11.347 ( 0.000 -0.963 10.305) 10.350 11.415 ( 0.000 -6.085 8.997) 10.861 11.822 ( 0.000 -9.515 4.207) 10.404 12.139 ( 0.000 -16.584 -3.343) 16.918 12.663 ( 0.000 0.160 3.507) 3.510 12.677 ( 0.000 2.488 2.029) 3.211 13.353 ( 0.000 2.645 1.482) 3.032 13.497 ( 0.000 -4.235 0.058) 4.235 13.702 ( 0.000 11.492 0.733) 11.515 13.744 ( 0.000 0.306 -3.540) 3.553 14.109 ( 0.000 6.665 -0.968) 6.735 14.282 ( 0.000 -1.751 -12.328) 12.452 14.709 ( 0.000 -0.152 4.789) 4.791 14.770 ( 0.000 -2.344 3.420) 4.147 15.063 ( 0.000 -4.981 7.130) 8.697 15.500 ( 0.000 -12.532 -1.329) 12.602 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 14.126 10.975 26.174) 31.702 1.994 ( 13.186 26.690 23.457) 37.900 2.449 ( -14.951 17.799 15.373) 27.868 2.613 ( -12.334 5.243 12.879) 18.587 3.112 ( 7.244 -1.758 9.147) 11.800 3.186 ( 6.860 -4.203 4.885) 9.412 3.358 ( -1.928 1.634 -0.884) 2.677 3.500 ( -2.358 -4.369 -1.187) 5.105 3.593 ( 5.057 3.007 22.154) 22.922 3.678 ( 9.316 9.529 20.420) 24.384 3.832 ( 5.084 6.594 -2.657) 8.740 3.906 ( -3.121 2.080 -0.887) 3.854 3.973 ( 1.911 7.473 2.052) 7.981 4.235 ( -9.884 -6.328 -7.738) 14.058 4.337 ( -3.173 2.559 0.849) 4.164 4.372 ( -5.069 -1.160 -4.499) 6.876 4.502 ( 6.204 5.964 -3.235) 9.193 4.699 ( 2.269 0.336 9.994) 10.254 4.770 ( -5.096 -1.293 4.079) 6.654 4.874 ( -7.973 -0.205 3.072) 8.547 5.160 ( -7.031 4.146 -4.480) 9.311 5.219 ( -7.576 3.859 -9.127) 12.474 5.358 ( -8.275 0.537 -3.934) 9.179 5.420 ( -5.072 -7.067 -1.503) 8.828 5.532 ( 2.498 5.891 -3.025) 7.078 5.685 ( 0.780 5.284 -5.338) 7.551 5.837 ( 5.988 1.901 -0.449) 6.299 5.880 ( 12.072 -0.383 -2.422) 12.319 5.987 ( 6.775 4.652 4.775) 9.505 6.178 ( 6.846 -0.323 -5.788) 8.971 6.212 ( 5.249 4.156 -4.730) 8.198 6.363 ( -1.211 13.469 2.086) 13.683 6.457 ( 0.622 7.094 4.447) 8.396 6.494 ( -3.611 3.267 -0.250) 4.876 6.563 ( -4.766 9.397 2.301) 10.785 6.627 ( 3.247 -0.756 -0.152) 3.338 6.740 ( -4.438 8.088 2.914) 9.674 7.073 ( -5.263 -7.297 0.614) 9.018 7.209 ( -4.686 -7.788 2.058) 9.319 7.402 ( 11.407 -5.477 1.442) 12.736 7.485 ( -3.895 -2.703 -5.069) 6.940 7.589 ( 3.994 3.520 -4.204) 6.783 7.786 ( -3.065 -4.103 -7.861) 9.382 8.029 ( -7.695 -1.736 0.490) 7.903 8.129 ( 1.967 -0.631 -2.007) 2.880 8.189 ( -1.598 -0.495 -6.080) 6.306 8.232 ( 6.576 2.094 -10.126) 12.254 8.274 ( 0.607 -3.797 -5.279) 6.531 8.440 ( -1.779 -3.531 -3.224) 5.102 8.604 ( -4.958 -2.649 -7.003) 8.980 8.658 ( 3.008 -1.633 -3.453) 4.862 8.692 ( -1.165 -2.060 -5.265) 5.772 8.790 ( -0.845 -4.118 -2.024) 4.666 8.808 ( 3.613 -4.783 -3.017) 6.710 8.848 ( 4.754 -3.900 -1.268) 6.278 8.925 ( 4.107 -1.917 -15.954) 16.585 9.107 ( -3.094 0.333 -1.114) 3.305 9.165 ( -1.351 3.628 -3.431) 5.173 9.344 ( 2.333 -1.537 -1.607) 3.223 9.388 ( 3.330 -3.320 -3.867) 6.088 9.582 ( -0.664 -2.917 -0.350) 3.012 9.673 ( 0.211 -5.678 -0.703) 5.725 9.992 ( 1.959 6.743 -0.681) 7.055 10.089 ( 1.205 17.399 -5.793) 18.378 10.596 ( -3.127 -7.866 17.065) 19.049 10.727 ( -8.152 1.852 7.998) 11.570 11.003 ( 5.507 -0.560 2.628) 6.128 11.090 ( 3.686 -2.297 -6.139) 7.520 11.335 ( 0.244 -1.798 14.262) 14.377 11.432 ( 0.244 -4.653 6.759) 8.210 11.826 ( 0.867 -9.410 4.213) 10.347 12.040 ( -8.255 -13.385 -0.715) 15.742 12.672 ( 0.824 0.184 3.294) 3.401 12.689 ( 0.636 1.098 1.989) 2.359 13.350 ( 0.219 2.530 2.070) 3.277 13.440 ( -3.925 -0.667 1.652) 4.310 13.773 ( 5.449 6.984 -0.078) 8.859 13.828 ( 6.265 -0.286 -5.943) 8.639 14.086 ( -1.638 6.613 -1.698) 7.021 14.232 ( -4.745 -1.075 -11.667) 12.641 14.727 ( 1.604 -0.800 4.917) 5.233 14.779 ( 0.340 -2.403 4.288) 4.927 15.083 ( 2.725 -5.058 6.034) 8.331 15.391 ( -9.362 -10.110 1.191) 13.830 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -18.654 12.180 20.247) 30.105 2.084 ( 18.654 12.180 20.247) 30.105 2.318 ( -16.200 15.781 19.141) 29.629 2.318 ( 16.200 15.781 19.141) 29.629 3.228 ( -2.886 -3.797 5.483) 7.267 3.228 ( 2.886 -3.797 5.483) 7.267 3.402 ( -4.954 -2.297 -1.229) 5.597 3.402 ( 4.954 -2.297 -1.229) 5.597 3.758 ( -8.900 1.339 0.350) 9.007 3.758 ( 8.900 1.339 0.350) 9.007 3.911 ( -9.798 10.186 18.165) 23.016 3.911 ( 9.798 10.186 18.165) 23.016 4.017 ( -11.094 -0.466 4.998) 12.177 4.017 ( 11.094 -0.466 4.998) 12.177 4.265 ( -2.588 4.721 -5.572) 7.749 4.265 ( 2.588 4.721 -5.572) 7.749 4.665 ( -8.388 1.184 -1.838) 8.668 4.665 ( 8.388 1.184 -1.838) 8.668 4.756 ( -2.724 6.002 5.338) 8.482 4.756 ( 2.724 6.002 5.338) 8.482 5.086 ( -1.402 2.124 -4.579) 5.239 5.086 ( 1.402 2.124 -4.579) 5.239 5.318 ( -3.225 -5.614 -3.059) 7.161 5.318 ( 3.225 -5.614 -3.059) 7.161 5.635 ( -4.815 2.666 -5.976) 8.124 5.635 ( 4.815 2.666 -5.976) 8.124 5.963 ( -4.052 1.640 1.027) 4.490 5.963 ( 4.052 1.640 1.027) 4.490 6.155 ( -7.073 1.488 -3.099) 7.864 6.155 ( 7.073 1.488 -3.099) 7.864 6.290 ( -3.937 2.851 -0.851) 4.935 6.290 ( 3.937 2.851 -0.851) 4.935 6.488 ( -3.000 7.947 1.994) 8.725 6.488 ( 3.000 7.947 1.994) 8.725 6.586 ( -8.808 10.100 3.997) 13.985 6.586 ( 8.808 10.100 3.997) 13.985 6.817 ( -14.367 -1.214 -2.097) 14.570 6.817 ( 14.367 -1.214 -2.097) 14.570 7.297 ( -10.262 -7.550 -1.840) 12.873 7.297 ( 10.262 -7.550 -1.840) 12.873 7.629 ( -8.124 4.609 0.377) 9.348 7.629 ( 8.124 4.609 0.377) 9.348 7.828 ( -9.724 -6.230 -5.906) 12.971 7.828 ( 9.724 -6.230 -5.906) 12.971 8.165 ( -1.542 0.681 -4.228) 4.552 8.165 ( 1.542 0.681 -4.228) 4.552 8.299 ( -0.731 -2.022 -9.728) 9.963 8.299 ( 0.731 -2.022 -9.728) 9.963 8.478 ( -6.054 -3.594 -4.807) 8.525 8.478 ( 6.054 -3.594 -4.807) 8.525 8.694 ( -0.412 -0.415 -2.539) 2.605 8.694 ( 0.412 -0.415 -2.539) 2.605 8.787 ( -1.925 -4.478 1.948) 5.249 8.787 ( 1.925 -4.478 1.948) 5.249 8.952 ( -2.471 -3.784 -13.101) 13.859 8.952 ( 2.471 -3.784 -13.101) 13.859 9.114 ( -3.292 0.210 -1.404) 3.585 9.114 ( 3.292 0.210 -1.404) 3.585 9.391 ( -2.815 -5.028 -2.064) 6.121 9.391 ( 2.815 -5.028 -2.064) 6.121 9.637 ( -3.859 -3.163 -2.080) 5.405 9.637 ( 3.859 -3.163 -2.080) 5.405 10.061 ( -3.933 12.648 -4.676) 14.047 10.061 ( 3.933 12.648 -4.676) 14.047 10.593 ( -3.916 -0.994 14.608) 15.156 10.593 ( 3.916 -0.994 14.608) 15.156 11.098 ( -3.094 -2.780 -1.136) 4.312 11.098 ( 3.094 -2.780 -1.136) 4.312 11.389 ( -4.094 -3.012 9.641) 10.899 11.389 ( 4.094 -3.012 9.641) 10.899 11.886 ( -5.679 -10.076 2.813) 11.903 11.886 ( 5.679 -10.076 2.813) 11.903 12.689 ( -0.621 0.260 2.635) 2.719 12.689 ( 0.621 0.260 2.635) 2.719 13.375 ( -2.342 1.584 2.398) 3.708 13.375 ( 2.342 1.584 2.398) 3.708 13.873 ( -3.073 2.943 -2.359) 4.865 13.873 ( 3.073 2.943 -2.359) 4.865 14.116 ( -5.486 2.045 -8.359) 10.206 14.116 ( 5.486 2.045 -8.359) 10.206 14.764 ( -1.740 -1.899 5.157) 5.765 14.764 ( 1.740 -1.899 5.157) 5.765 15.197 ( -8.552 -6.565 4.044) 11.515 15.197 ( 8.552 -6.565 4.044) 11.515 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.000 22.496 22.685) 31.948 2.431 ( 0.000 24.100 25.008) 34.730 2.860 ( 0.000 5.309 2.110) 5.712 3.000 ( 0.000 1.047 6.353) 6.439 3.028 ( 0.000 -1.318 6.033) 6.175 3.031 ( 0.000 14.840 11.202) 18.593 3.350 ( 0.000 -9.700 8.886) 13.155 3.410 ( 0.000 -7.509 -2.078) 7.791 3.644 ( 0.000 4.147 6.269) 7.516 3.764 ( 0.000 11.370 16.185) 19.779 3.850 ( 0.000 4.697 19.628) 20.183 4.037 ( 0.000 5.918 -2.964) 6.619 4.141 ( 0.000 6.754 4.892) 8.340 4.251 ( 0.000 -8.035 -7.088) 10.715 4.327 ( 0.000 9.205 -6.345) 11.180 4.518 ( 0.000 8.020 4.380) 9.138 4.600 ( 0.000 0.994 2.659) 2.839 4.622 ( 0.000 9.937 -3.677) 10.596 4.758 ( 0.000 5.247 -3.277) 6.186 4.945 ( 0.000 0.097 -4.962) 4.963 5.187 ( 0.000 -8.416 -5.702) 10.166 5.333 ( 0.000 -15.058 -10.005) 18.079 5.482 ( 0.000 -2.480 -0.505) 2.531 5.558 ( 0.000 8.373 7.435) 11.197 5.672 ( 0.000 11.330 -18.104) 21.357 5.683 ( 0.000 3.775 -1.187) 3.957 5.886 ( 0.000 14.511 6.622) 15.950 5.937 ( 0.000 7.085 -1.976) 7.355 6.105 ( 0.000 10.523 0.706) 10.546 6.124 ( 0.000 5.411 -6.381) 8.366 6.187 ( 0.000 -0.426 -9.389) 9.399 6.423 ( 0.000 -9.202 3.074) 9.702 6.448 ( 0.000 -4.896 6.285) 7.967 6.607 ( 0.000 -0.009 3.934) 3.934 6.686 ( 0.000 9.007 -5.730) 10.675 6.811 ( 0.000 3.826 1.588) 4.142 7.012 ( 0.000 -10.525 3.641) 11.137 7.015 ( 0.000 2.203 -1.364) 2.591 7.098 ( 0.000 -2.628 7.676) 8.113 7.138 ( 0.000 13.307 5.212) 14.291 7.541 ( 0.000 -5.574 -6.438) 8.516 7.564 ( 0.000 6.693 -4.926) 8.310 7.696 ( 0.000 2.508 -1.961) 3.184 8.080 ( 0.000 -4.098 -5.079) 6.526 8.116 ( 0.000 -0.297 -4.078) 4.089 8.151 ( 0.000 2.090 0.087) 2.091 8.167 ( 0.000 1.429 -7.466) 7.601 8.306 ( 0.000 -0.159 -0.888) 0.902 8.476 ( 0.000 -1.001 -5.832) 5.917 8.528 ( 0.000 -3.906 -1.359) 4.135 8.580 ( 0.000 -4.440 -3.903) 5.911 8.598 ( 0.000 -11.783 -7.770) 14.115 8.702 ( 0.000 -6.461 -6.447) 9.128 8.724 ( 0.000 -2.898 1.494) 3.260 8.757 ( 0.000 7.407 -4.756) 8.802 8.829 ( 0.000 -0.252 -12.907) 12.910 9.157 ( 0.000 -1.030 -2.754) 2.941 9.293 ( 0.000 0.594 0.288) 0.660 9.316 ( 0.000 2.582 -0.567) 2.643 9.324 ( 0.000 2.330 -2.582) 3.478 9.520 ( 0.000 -6.108 -2.960) 6.787 9.536 ( 0.000 -4.322 2.567) 5.027 9.918 ( 0.000 -10.352 5.521) 11.732 10.306 ( 0.000 -21.277 11.351) 24.116 10.448 ( 0.000 17.329 -4.193) 17.829 10.909 ( 0.000 2.927 -2.578) 3.900 10.922 ( 0.000 0.923 9.171) 9.217 11.042 ( 0.000 0.704 -13.525) 13.543 11.287 ( 0.000 -5.360 14.745) 15.689 11.335 ( 0.000 0.157 7.867) 7.869 11.611 ( 0.000 -10.259 5.072) 11.444 11.823 ( 0.000 -14.345 -2.127) 14.502 12.691 ( 0.000 3.093 3.242) 4.481 12.755 ( 0.000 5.501 2.601) 6.085 13.286 ( 0.000 -7.709 5.564) 9.507 13.288 ( 0.000 -13.775 4.027) 14.352 13.868 ( 0.000 8.803 -6.912) 11.192 13.953 ( 0.000 10.472 -5.861) 12.000 14.234 ( 0.000 5.388 -2.704) 6.028 14.269 ( 0.000 1.012 -12.500) 12.541 14.720 ( 0.000 -2.112 3.845) 4.386 14.722 ( 0.000 1.881 3.852) 4.287 14.936 ( 0.000 -7.239 5.829) 9.294 15.224 ( 0.000 -13.887 2.207) 14.061 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 9.550 19.057 20.991) 29.916 2.507 ( 6.561 21.265 24.128) 32.824 2.676 ( -14.726 8.018 10.988) 20.047 2.859 ( -8.734 12.104 14.856) 21.059 3.105 ( 4.993 -2.801 0.965) 5.806 3.124 ( 2.758 -0.360 5.300) 5.986 3.306 ( -2.050 -7.130 5.664) 9.334 3.386 ( -3.012 -7.641 1.328) 8.320 3.630 ( 3.167 4.999 8.643) 10.475 3.828 ( -0.840 -3.546 1.044) 3.791 3.899 ( 5.701 6.292 3.329) 9.121 4.067 ( -1.400 1.230 6.364) 6.632 4.112 ( -0.486 9.709 14.244) 17.245 4.179 ( 1.199 10.101 -3.954) 10.914 4.457 ( 8.987 7.260 -4.989) 12.585 4.483 ( -5.417 13.065 -2.655) 14.391 4.633 ( 4.383 6.727 -1.063) 8.099 4.694 ( 4.871 2.138 2.532) 5.891 4.788 ( 1.622 4.793 2.988) 5.876 4.900 ( -4.061 2.488 -0.402) 4.779 5.186 ( -3.044 -4.622 -4.232) 6.967 5.245 ( -4.517 -9.788 -6.538) 12.608 5.313 ( -7.852 3.639 -0.210) 8.657 5.436 ( -14.234 7.162 -11.781) 19.817 5.600 ( 1.501 1.057 -2.871) 3.408 5.761 ( -4.919 7.191 3.575) 9.418 5.917 ( 8.826 3.249 -3.445) 10.016 5.959 ( 2.467 6.134 0.053) 6.612 6.094 ( 0.700 4.332 3.713) 5.748 6.202 ( 2.549 1.529 -8.259) 8.777 6.275 ( 3.126 1.199 -6.611) 7.411 6.434 ( -0.132 -11.081 1.430) 11.173 6.475 ( 5.497 -1.692 3.526) 6.746 6.510 ( -6.102 -1.471 1.338) 6.418 6.644 ( -4.325 5.840 -3.115) 7.906 6.821 ( 0.230 5.742 -1.418) 5.919 6.955 ( 0.843 -3.272 -0.299) 3.392 7.031 ( -2.421 17.102 3.672) 17.659 7.181 ( 3.243 9.185 5.146) 11.016 7.285 ( 14.125 -3.631 3.895) 15.095 7.438 ( -6.905 0.612 -1.621) 7.119 7.651 ( 5.273 1.886 -5.381) 7.767 7.716 ( 3.816 0.614 -6.809) 7.829 7.984 ( -13.012 -2.035 -0.123) 13.170 8.094 ( 0.201 -2.022 -2.511) 3.230 8.192 ( 2.780 -0.504 -6.732) 7.301 8.230 ( 2.535 1.022 -7.280) 7.776 8.265 ( 1.132 -1.433 -2.159) 2.828 8.398 ( -4.057 0.175 -2.360) 4.697 8.536 ( -1.964 -7.678 -8.179) 11.389 8.579 ( -1.053 -6.061 -4.188) 7.442 8.640 ( -2.031 -5.433 0.699) 5.843 8.651 ( 0.632 -2.110 -5.976) 6.369 8.730 ( 1.042 -4.978 0.888) 5.163 8.764 ( 4.189 -1.881 -7.471) 8.769 8.922 ( 3.644 1.067 -10.884) 11.528 9.105 ( -2.869 0.425 -1.239) 3.154 9.241 ( -4.236 2.221 -0.432) 4.802 9.303 ( 0.195 0.675 -0.717) 1.004 9.358 ( 0.140 -0.347 -1.241) 1.296 9.519 ( 1.657 -3.875 -1.545) 4.489 9.573 ( 1.623 -4.748 -1.608) 5.269 9.957 ( 4.368 -10.741 6.459) 13.273 10.250 ( -5.971 -16.410 7.843) 19.143 10.508 ( 5.968 12.824 0.597) 14.158 10.802 ( -6.621 5.291 4.045) 9.391 10.990 ( 2.974 -0.832 1.062) 3.266 11.054 ( 0.420 -1.650 -12.643) 12.757 11.288 ( 1.360 -2.163 15.340) 15.552 11.363 ( 1.185 -1.124 6.439) 6.643 11.618 ( 0.991 -10.200 4.675) 11.264 11.768 ( -4.824 -12.769 -0.753) 13.671 12.703 ( 1.156 3.381 3.245) 4.827 12.750 ( -0.604 5.016 2.824) 5.788 13.281 ( -0.097 -9.530 4.929) 10.729 13.290 ( -0.124 -10.990 4.796) 11.992 13.920 ( 4.609 8.378 -7.206) 11.973 13.982 ( 2.470 9.695 -6.273) 11.809 14.205 ( -2.528 5.094 -3.217) 6.533 14.232 ( -3.398 1.441 -11.643) 12.215 14.717 ( 0.304 -0.283 4.018) 4.039 14.734 ( 0.395 -0.813 4.568) 4.657 14.954 ( 2.218 -7.377 4.963) 9.163 15.160 ( -5.667 -12.053 2.887) 13.628 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -17.239 12.880 16.394) 27.052 2.320 ( 17.239 12.880 16.394) 27.052 2.685 ( -8.956 16.514 22.357) 29.202 2.685 ( 8.956 16.514 22.357) 29.202 3.149 ( -0.831 -6.275 2.478) 6.798 3.149 ( 0.831 -6.275 2.478) 6.798 3.317 ( -2.642 -5.313 3.036) 6.665 3.317 ( 2.642 -5.313 3.036) 6.665 3.754 ( -6.844 -0.729 2.268) 7.246 3.754 ( 6.844 -0.729 2.268) 7.246 3.966 ( -4.358 -1.825 -7.434) 8.808 3.966 ( 4.358 -1.825 -7.434) 8.808 4.213 ( -1.475 17.183 11.195) 20.561 4.213 ( 1.475 17.183 11.195) 20.561 4.478 ( -7.350 13.937 8.595) 17.948 4.478 ( 7.350 13.937 8.595) 17.948 4.683 ( -4.617 4.243 -4.508) 7.723 4.683 ( 4.617 4.243 -4.508) 7.723 4.872 ( -2.977 3.862 3.234) 5.851 4.872 ( 2.977 3.862 3.234) 5.851 5.169 ( -6.299 2.260 -6.763) 9.515 5.169 ( 6.299 2.260 -6.763) 9.515 5.228 ( -1.998 -2.439 -5.408) 6.260 5.228 ( 1.998 -2.439 -5.408) 6.260 5.661 ( -5.054 2.782 0.917) 5.842 5.661 ( 5.054 2.782 0.917) 5.842 6.010 ( -1.531 2.144 0.094) 2.636 6.010 ( 1.531 2.144 0.094) 2.636 6.162 ( -6.104 -1.655 -1.699) 6.549 6.162 ( 6.104 -1.655 -1.699) 6.549 6.332 ( -5.048 -2.002 -4.632) 7.138 6.332 ( 5.048 -2.002 -4.632) 7.138 6.526 ( -4.124 -1.659 -1.128) 4.586 6.526 ( 4.124 -1.659 -1.128) 4.586 6.692 ( -10.576 -2.064 -3.072) 11.205 6.692 ( 10.576 -2.064 -3.072) 11.205 7.005 ( -2.060 18.310 4.068) 18.869 7.005 ( 2.060 18.310 4.068) 18.869 7.273 ( -7.805 7.375 -0.088) 10.739 7.273 ( 7.805 7.375 -0.088) 10.739 7.621 ( -16.856 -2.614 3.022) 17.323 7.621 ( 16.856 -2.614 3.022) 17.323 7.774 ( -2.486 -1.272 -6.854) 7.401 7.774 ( 2.486 -1.272 -6.854) 7.401 8.132 ( -4.289 -1.434 -6.470) 7.894 8.132 ( 4.289 -1.434 -6.470) 7.894 8.298 ( -5.343 0.241 -4.300) 6.862 8.298 ( 5.343 0.241 -4.300) 6.862 8.415 ( -8.248 -3.603 -5.480) 10.537 8.415 ( 8.248 -3.603 -5.480) 10.537 8.597 ( -2.017 -8.132 -0.915) 8.428 8.597 ( 2.017 -8.132 -0.915) 8.428 8.699 ( -2.963 -3.072 -1.161) 4.424 8.699 ( 2.963 -3.072 -1.161) 4.424 8.888 ( -5.602 -2.511 -9.509) 11.318 8.888 ( 5.602 -2.511 -9.509) 11.318 9.139 ( -5.091 2.317 -0.287) 5.601 9.139 ( 5.091 2.317 -0.287) 5.601 9.328 ( -2.080 -0.507 -0.811) 2.290 9.328 ( 2.080 -0.507 -0.811) 2.290 9.569 ( -2.039 -4.185 -2.745) 5.404 9.569 ( 2.039 -4.185 -2.745) 5.404 10.094 ( -8.470 -12.071 6.824) 16.249 10.094 ( 8.470 -12.071 6.824) 16.249 10.655 ( -7.828 8.598 3.797) 12.232 10.655 ( 7.828 8.598 3.797) 12.232 11.039 ( -1.826 -2.964 -4.922) 6.029 11.039 ( 1.826 -2.964 -4.922) 6.029 11.343 ( -2.987 -0.833 9.162) 9.673 11.343 ( 2.987 -0.833 9.162) 9.673 11.668 ( -4.171 -10.620 2.400) 11.660 11.668 ( 4.171 -10.620 2.400) 11.660 12.730 ( -1.322 4.114 3.144) 5.344 12.730 ( 1.322 4.114 3.144) 5.344 13.284 ( -0.338 -9.794 4.921) 10.966 13.284 ( 0.338 -9.794 4.921) 10.966 14.006 ( -2.001 8.845 -7.089) 11.510 14.006 ( 2.001 8.845 -7.089) 11.510 14.171 ( -0.880 2.933 -7.235) 7.856 14.171 ( 0.880 2.933 -7.235) 7.856 14.730 ( -0.708 -0.938 4.723) 4.867 14.730 ( 0.708 -0.938 4.723) 4.867 15.036 ( -5.765 -8.928 3.802) 11.287 15.036 ( 5.765 -8.928 3.802) 11.287 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 24.568 16.340) 29.506 2.802 ( 0.000 14.588 23.667) 27.802 2.858 ( 0.000 -15.724 9.382) 18.310 2.978 ( 0.000 3.759 2.638) 4.592 2.993 ( 0.000 -2.908 5.154) 5.918 3.095 ( 0.000 -7.843 10.701) 13.267 3.237 ( 0.000 0.562 14.349) 14.360 3.274 ( 0.000 -3.315 3.175) 4.591 3.777 ( 0.000 7.096 0.332) 7.104 3.811 ( 0.000 1.634 -1.583) 2.275 3.903 ( 0.000 -2.641 2.763) 3.823 3.950 ( 0.000 -8.896 0.996) 8.951 4.305 ( 0.000 8.531 -2.336) 8.845 4.454 ( 0.000 -3.401 5.142) 6.165 4.480 ( 0.000 19.404 6.842) 20.575 4.633 ( 0.000 17.882 12.808) 21.996 4.731 ( 0.000 -0.527 -11.119) 11.132 4.789 ( 0.000 6.375 -4.706) 7.924 4.908 ( 0.000 0.110 1.500) 1.504 4.969 ( 0.000 -13.375 2.028) 13.528 5.038 ( 0.000 -6.014 -2.827) 6.645 5.052 ( 0.000 7.396 -8.176) 11.025 5.421 ( 0.000 1.952 -10.950) 11.122 5.634 ( 0.000 -10.673 -9.742) 14.450 5.791 ( 0.000 13.417 5.308) 14.429 5.882 ( 0.000 10.500 -9.137) 13.919 6.033 ( 0.000 -5.220 -7.038) 8.763 6.070 ( 0.000 -1.329 -6.908) 7.034 6.125 ( 0.000 -8.897 6.508) 11.023 6.149 ( 0.000 4.884 -3.555) 6.041 6.267 ( 0.000 8.723 4.403) 9.771 6.365 ( 0.000 2.942 -2.801) 4.062 6.388 ( 0.000 2.202 3.556) 4.183 6.543 ( 0.000 -2.293 6.993) 7.360 6.622 ( 0.000 -14.773 -1.719) 14.872 6.676 ( 0.000 -6.734 -2.227) 7.093 6.865 ( 0.000 0.137 0.150) 0.203 6.946 ( 0.000 -6.424 -0.953) 6.494 7.299 ( 0.000 13.711 6.599) 15.217 7.467 ( 0.000 -1.531 -2.464) 2.901 7.567 ( 0.000 19.609 8.453) 21.353 7.741 ( 0.000 10.526 -5.373) 11.818 7.806 ( 0.000 0.067 2.720) 2.721 7.943 ( 0.000 -8.911 -6.297) 10.911 8.119 ( 0.000 0.343 -3.670) 3.686 8.139 ( 0.000 -1.304 -5.294) 5.452 8.274 ( 0.000 5.928 2.199) 6.323 8.288 ( 0.000 -0.992 -15.681) 15.712 8.362 ( 0.000 -7.159 -16.408) 17.902 8.443 ( 0.000 -6.433 1.778) 6.675 8.475 ( 0.000 0.231 0.264) 0.351 8.500 ( 0.000 -2.441 3.644) 4.386 8.604 ( 0.000 -1.248 -8.539) 8.630 8.648 ( 0.000 -4.155 -1.722) 4.498 8.888 ( 0.000 5.737 -9.444) 11.050 8.929 ( 0.000 6.182 -1.826) 6.446 9.155 ( 0.000 3.840 -3.585) 5.253 9.306 ( 0.000 2.104 4.553) 5.016 9.337 ( 0.000 -6.577 -1.494) 6.745 9.377 ( 0.000 1.431 6.554) 6.708 9.417 ( 0.000 0.655 -2.403) 2.491 9.467 ( 0.000 -3.050 0.219) 3.057 9.667 ( 0.000 -8.269 4.159) 9.256 9.839 ( 0.000 -21.498 8.297) 23.044 10.751 ( 0.000 12.105 -5.656) 13.361 10.909 ( 0.000 -3.418 1.674) 3.806 10.962 ( 0.000 2.308 0.739) 2.424 11.016 ( 0.000 -3.304 -7.641) 8.325 11.264 ( 0.000 3.166 10.788) 11.243 11.340 ( 0.000 -1.771 3.978) 4.355 11.475 ( 0.000 -0.885 5.202) 5.277 11.583 ( 0.000 -9.564 -0.458) 9.575 12.798 ( 0.000 7.794 3.228) 8.436 12.889 ( 0.000 6.746 2.931) 7.356 13.025 ( 0.000 -10.701 4.916) 11.777 13.099 ( 0.000 -9.982 5.469) 11.382 14.019 ( 0.000 5.490 -7.214) 9.065 14.066 ( 0.000 1.136 -6.653) 6.750 14.310 ( 0.000 2.074 -4.932) 5.350 14.311 ( 0.000 1.913 -9.356) 9.550 14.711 ( 0.000 1.752 3.764) 4.152 14.784 ( 0.000 -1.546 1.371) 2.066 14.815 ( 0.000 1.760 5.913) 6.169 14.976 ( 0.000 -10.713 2.970) 11.117 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 3.757 21.606 15.441) 26.821 2.804 ( -4.714 6.719 8.711) 11.968 2.837 ( 0.245 -6.334 17.430) 18.547 2.889 ( -3.704 7.556 12.564) 15.122 2.999 ( -0.814 -7.287 4.836) 8.784 3.121 ( 1.365 -7.132 13.148) 15.020 3.157 ( -5.718 1.120 15.644) 16.694 3.251 ( -2.438 -5.057 5.097) 7.583 3.741 ( -0.420 4.651 3.379) 5.764 3.803 ( -1.155 1.231 -4.219) 4.544 3.906 ( -1.925 -6.488 -1.291) 6.890 3.917 ( -1.344 -3.252 -5.646) 6.653 4.405 ( 8.492 12.242 0.187) 14.900 4.541 ( 6.582 16.338 13.478) 22.179 4.582 ( 8.320 1.563 -0.645) 8.490 4.673 ( 7.184 5.397 2.516) 9.331 4.746 ( -2.692 7.243 -3.485) 8.477 4.792 ( 2.303 3.570 -3.422) 5.456 4.923 ( 0.146 3.471 -2.803) 4.464 5.014 ( 1.383 -8.473 -2.794) 9.029 5.033 ( -0.983 7.034 -5.924) 9.249 5.063 ( 2.426 -4.035 -0.191) 4.712 5.330 ( -8.760 0.674 -3.855) 9.594 5.480 ( -13.415 -5.821 -9.962) 17.694 5.705 ( -2.439 10.492 3.272) 11.258 5.911 ( 0.477 -2.067 -3.485) 4.080 5.976 ( -5.629 8.090 0.098) 9.856 6.019 ( -2.563 -2.231 3.629) 4.971 6.077 ( 1.134 -5.104 2.852) 5.955 6.157 ( -0.305 -5.338 -5.104) 7.391 6.240 ( -4.838 1.708 1.299) 5.292 6.312 ( -4.184 -1.256 1.248) 4.543 6.453 ( 4.298 1.942 -1.785) 5.043 6.536 ( 1.762 2.840 -2.922) 4.439 6.615 ( -3.407 -11.910 -2.176) 12.577 6.629 ( -2.707 -5.660 -5.274) 8.196 7.059 ( 16.248 5.263 -0.371) 17.083 7.156 ( 16.858 -5.092 1.052) 17.642 7.365 ( 5.297 12.725 3.809) 14.300 7.487 ( 1.429 1.882 -2.985) 3.807 7.545 ( -1.862 18.056 7.164) 19.514 7.720 ( -3.912 1.459 -0.617) 4.221 7.793 ( 0.763 5.536 -8.425) 10.110 7.931 ( -8.088 -4.871 -3.167) 9.959 8.075 ( -1.073 0.656 -3.320) 3.550 8.136 ( 2.650 -4.836 -5.446) 7.750 8.229 ( -2.106 0.747 -5.784) 6.201 8.298 ( 0.078 1.363 0.309) 1.400 8.337 ( -2.590 -5.457 -13.334) 14.639 8.405 ( -3.247 -1.049 -1.781) 3.849 8.451 ( -0.898 -5.553 0.916) 5.699 8.474 ( -3.483 -6.336 0.120) 7.231 8.658 ( 5.225 0.924 -4.692) 7.083 8.705 ( 4.120 -2.853 -5.435) 7.393 8.812 ( -4.077 8.516 -3.844) 10.194 8.928 ( -2.846 -1.941 -6.545) 7.396 9.175 ( 2.256 7.927 -2.053) 8.493 9.284 ( -2.111 4.548 4.775) 6.924 9.346 ( 0.048 -3.181 -1.919) 3.716 9.373 ( -0.540 1.385 5.365) 5.567 9.435 ( 1.913 -0.874 -2.351) 3.154 9.498 ( 2.795 -2.439 -0.704) 3.776 9.662 ( 0.324 -12.553 6.259) 14.031 9.813 ( -2.900 -21.346 8.493) 23.156 10.775 ( 2.390 11.114 -4.639) 12.279 10.894 ( -1.605 2.033 1.650) 3.071 10.958 ( -0.195 -2.028 -1.443) 2.497 10.997 ( -1.595 -3.741 -5.639) 6.953 11.301 ( 3.349 3.554 8.947) 10.193 11.373 ( 2.472 -0.288 3.354) 4.177 11.465 ( -0.761 -2.849 5.352) 6.110 11.553 ( -2.766 -8.588 0.528) 9.038 12.816 ( 1.655 8.025 3.455) 8.892 12.883 ( -0.742 7.888 3.446) 8.640 13.032 ( 0.823 -11.621 4.582) 12.519 13.088 ( -1.131 -10.491 5.168) 11.749 14.064 ( 4.196 5.096 -7.423) 9.934 14.100 ( 3.166 1.798 -6.520) 7.468 14.274 ( -3.286 2.035 -7.969) 8.856 14.278 ( -3.316 1.729 -6.362) 7.379 14.722 ( 1.046 2.137 3.819) 4.499 14.784 ( -0.921 4.233 2.513) 5.008 14.815 ( 1.113 -5.228 4.831) 7.205 14.940 ( -3.269 -9.680 3.144) 10.689 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -10.634 15.147 12.122) 22.124 2.603 ( 10.634 15.147 12.122) 22.124 2.866 ( -2.918 -5.983 11.483) 13.273 2.866 ( 2.918 -5.983 11.483) 13.273 3.023 ( -5.224 3.430 15.990) 17.168 3.023 ( 5.224 3.430 15.990) 17.168 3.188 ( -3.674 -8.320 10.775) 14.100 3.188 ( 3.674 -8.320 10.775) 14.100 3.776 ( -2.234 3.478 -1.885) 4.543 3.776 ( 2.234 3.478 -1.885) 4.543 3.878 ( -0.822 -5.940 -6.316) 8.709 3.878 ( 0.822 -5.940 -6.316) 8.709 4.588 ( -7.903 16.275 3.341) 18.399 4.588 ( 7.903 16.275 3.341) 18.399 4.711 ( -3.929 7.922 3.954) 9.686 4.711 ( 3.929 7.922 3.954) 9.686 4.821 ( -4.375 2.948 -3.875) 6.545 4.821 ( 4.375 2.948 -3.875) 6.545 4.893 ( -4.944 0.473 -3.982) 6.365 4.893 ( 4.944 0.473 -3.982) 6.365 5.112 ( -1.842 -0.029 -4.832) 5.172 5.112 ( 1.842 -0.029 -4.832) 5.172 5.227 ( -5.506 -4.014 -1.871) 7.066 5.227 ( 5.506 -4.014 -1.871) 7.066 5.786 ( -8.493 9.361 5.184) 13.661 5.786 ( 8.493 9.361 5.184) 13.661 5.974 ( -3.326 -7.306 3.091) 8.602 5.974 ( 3.326 -7.306 3.091) 8.602 6.134 ( -4.775 0.849 -0.640) 4.892 6.134 ( 4.775 0.849 -0.640) 4.892 6.211 ( -4.868 -6.503 -1.161) 8.206 6.211 ( 4.868 -6.503 -1.161) 8.206 6.530 ( -3.112 0.956 -4.495) 5.550 6.530 ( 3.112 0.956 -4.495) 5.550 6.584 ( -2.421 -5.297 -5.722) 8.165 6.584 ( 2.421 -5.297 -5.722) 8.165 7.346 ( -9.454 12.794 0.086) 15.908 7.346 ( 9.454 12.794 0.086) 15.908 7.460 ( -5.540 3.805 0.483) 6.738 7.460 ( 5.540 3.805 0.483) 6.738 7.617 ( -13.711 5.334 -0.376) 14.717 7.617 ( 13.711 5.334 -0.376) 14.717 7.745 ( -5.929 -2.556 -5.376) 8.401 7.745 ( 5.929 -2.556 -5.376) 8.401 8.136 ( -5.309 2.075 -6.053) 8.314 8.136 ( 5.309 2.075 -6.053) 8.314 8.254 ( -5.268 -8.152 -4.841) 10.846 8.254 ( 5.268 -8.152 -4.841) 10.846 8.333 ( -3.260 1.417 -0.299) 3.568 8.333 ( 3.260 1.417 -0.299) 3.568 8.435 ( -0.183 -7.303 -0.827) 7.352 8.435 ( 0.183 -7.303 -0.827) 7.352 8.733 ( -2.699 5.519 -3.423) 7.033 8.733 ( 2.699 5.519 -3.423) 7.033 8.832 ( -5.908 -3.673 -6.923) 9.815 8.832 ( 5.908 -3.673 -6.923) 9.815 9.230 ( -2.953 7.605 1.273) 8.257 9.230 ( 2.953 7.605 1.273) 8.257 9.352 ( -0.959 -0.246 1.998) 2.230 9.352 ( 0.959 -0.246 1.998) 2.230 9.497 ( -2.949 0.295 -2.476) 3.862 9.497 ( 2.949 0.295 -2.476) 3.862 9.725 ( -5.204 -19.898 8.798) 22.370 9.725 ( 5.204 -19.898 8.798) 22.370 10.839 ( -3.577 8.241 -1.718) 9.147 10.839 ( 3.577 8.241 -1.718) 9.147 10.967 ( -1.148 -4.747 -3.007) 5.735 10.967 ( 1.148 -4.747 -3.007) 5.735 11.373 ( -2.949 3.831 5.558) 7.367 11.373 ( 2.949 3.831 5.558) 7.367 11.487 ( -3.235 -7.511 2.989) 8.707 11.487 ( 3.235 -7.511 2.989) 8.707 12.855 ( -1.935 8.455 3.790) 9.466 12.855 ( 1.935 8.455 3.790) 9.466 13.058 ( -1.612 -11.581 4.590) 12.561 13.058 ( 1.612 -11.581 4.590) 12.561 14.156 ( -1.915 5.327 -7.244) 9.194 14.156 ( 1.915 5.327 -7.244) 9.194 14.207 ( -0.898 0.030 -6.947) 7.005 14.207 ( 0.898 0.030 -6.947) 7.005 14.751 ( -1.809 3.494 3.896) 5.537 14.751 ( 1.809 3.494 3.896) 5.537 14.866 ( -3.586 -7.668 3.394) 9.119 14.866 ( 3.586 -7.668 3.394) 9.119 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.000 0.000 28.640) 28.640 2.106 ( 0.000 0.000 26.635) 26.635 2.606 ( 0.000 0.000 6.778) 6.778 2.959 ( 0.000 0.000 9.274) 9.274 3.059 ( 0.000 0.000 -7.999) 7.999 3.219 ( 0.000 0.000 -3.501) 3.501 3.257 ( 0.000 0.000 7.014) 7.014 3.318 ( 0.000 0.000 -10.658) 10.658 3.411 ( 0.000 0.000 -3.295) 3.295 3.645 ( 0.000 0.000 -10.160) 10.160 3.947 ( 0.000 0.000 15.280) 15.280 4.021 ( 0.000 0.000 -4.958) 4.958 4.043 ( 0.000 0.000 -12.026) 12.026 4.196 ( 0.000 0.000 0.985) 0.985 4.484 ( 0.000 0.000 -0.427) 0.427 4.504 ( 0.000 0.000 -8.268) 8.268 4.624 ( 0.000 0.000 28.281) 28.281 4.790 ( 0.000 0.000 -20.157) 20.157 4.856 ( 0.000 0.000 0.225) 0.225 5.002 ( 0.000 0.000 6.495) 6.495 5.182 ( 0.000 0.000 10.992) 10.992 5.191 ( 0.000 0.000 28.219) 28.219 5.394 ( 0.000 0.000 -5.451) 5.451 5.463 ( 0.000 0.000 -4.366) 4.366 5.642 ( 0.000 0.000 -1.470) 1.470 5.741 ( 0.000 0.000 11.355) 11.355 5.744 ( 0.000 0.000 2.455) 2.455 5.801 ( 0.000 0.000 19.359) 19.359 5.818 ( 0.000 0.000 -1.429) 1.429 5.928 ( 0.000 0.000 -4.768) 4.768 6.053 ( 0.000 0.000 1.640) 1.640 6.311 ( 0.000 0.000 -3.501) 3.501 6.399 ( 0.000 0.000 4.113) 4.113 6.441 ( 0.000 0.000 3.963) 3.963 6.479 ( 0.000 0.000 -0.154) 0.154 6.658 ( 0.000 0.000 0.260) 0.260 6.932 ( 0.000 0.000 3.574) 3.574 7.094 ( 0.000 0.000 -12.930) 12.930 7.327 ( 0.000 0.000 -1.632) 1.632 7.382 ( 0.000 0.000 -13.298) 13.298 7.391 ( 0.000 0.000 -4.110) 4.110 7.405 ( 0.000 0.000 2.090) 2.090 7.530 ( 0.000 0.000 -29.439) 29.439 8.023 ( 0.000 0.000 1.141) 1.141 8.077 ( 0.000 0.000 0.188) 0.188 8.098 ( 0.000 0.000 -12.485) 12.485 8.100 ( 0.000 0.000 1.360) 1.360 8.288 ( 0.000 0.000 -2.688) 2.688 8.368 ( 0.000 0.000 -8.559) 8.559 8.461 ( 0.000 0.000 -7.957) 7.957 8.557 ( 0.000 0.000 -0.616) 0.616 8.587 ( 0.000 0.000 -0.466) 0.466 8.607 ( 0.000 0.000 -0.805) 0.805 8.676 ( 0.000 0.000 -3.728) 3.728 8.892 ( 0.000 0.000 0.659) 0.659 8.925 ( 0.000 0.000 -0.446) 0.446 9.049 ( 0.000 0.000 2.773) 2.773 9.170 ( 0.000 0.000 -1.015) 1.015 9.225 ( 0.000 0.000 4.113) 4.113 9.409 ( 0.000 0.000 -2.071) 2.071 9.573 ( 0.000 0.000 -1.931) 1.931 9.720 ( 0.000 0.000 -5.272) 5.272 9.871 ( 0.000 0.000 2.520) 2.520 9.912 ( 0.000 0.000 1.658) 1.658 10.652 ( 0.000 0.000 -8.648) 8.648 10.712 ( 0.000 0.000 -11.882) 11.882 11.177 ( 0.000 0.000 19.373) 19.373 11.358 ( 0.000 0.000 14.999) 14.999 11.609 ( 0.000 0.000 11.006) 11.006 11.616 ( 0.000 0.000 4.166) 4.166 11.933 ( 0.000 0.000 -3.020) 3.020 12.155 ( 0.000 0.000 -10.789) 10.789 12.691 ( 0.000 0.000 1.722) 1.722 12.721 ( 0.000 0.000 1.264) 1.264 13.276 ( 0.000 0.000 1.875) 1.875 13.403 ( 0.000 0.000 -4.032) 4.032 13.766 ( 0.000 0.000 7.599) 7.599 13.827 ( 0.000 0.000 2.194) 2.194 13.994 ( 0.000 0.000 -2.519) 2.519 14.071 ( 0.000 0.000 -9.715) 9.715 14.816 ( 0.000 0.000 4.009) 4.009 14.854 ( 0.000 0.000 1.971) 1.971 15.268 ( 0.000 0.000 6.720) 6.720 15.527 ( 0.000 0.000 -5.735) 5.735 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 6.170 0.000 23.753) 24.541 2.251 ( 13.320 0.000 24.888) 28.229 2.519 ( -7.847 0.000 9.691) 12.470 2.847 ( -10.755 0.000 9.168) 14.132 3.151 ( 8.279 0.000 -2.236) 8.576 3.226 ( 2.425 0.000 -3.771) 4.484 3.294 ( 2.931 0.000 3.253) 4.378 3.364 ( 0.960 0.000 -6.730) 6.798 3.527 ( 11.224 0.000 -7.348) 13.415 3.640 ( 0.161 0.000 -8.147) 8.148 3.778 ( -9.229 0.000 7.148) 11.674 3.942 ( -4.206 0.000 -11.820) 12.546 4.048 ( -4.100 0.000 -11.512) 12.220 4.205 ( -16.990 0.000 -10.615) 20.034 4.452 ( 14.305 0.000 6.424) 15.681 4.484 ( 2.014 0.000 5.643) 5.992 4.632 ( -2.452 0.000 24.007) 24.132 4.830 ( 2.625 0.000 0.396) 2.654 4.986 ( -3.759 0.000 2.490) 4.509 4.993 ( 1.481 0.000 -1.561) 2.151 5.098 ( -5.798 0.000 23.946) 24.638 5.108 ( 3.934 0.000 -4.078) 5.666 5.284 ( -5.292 0.000 8.934) 10.383 5.393 ( -3.243 0.000 4.026) 5.169 5.526 ( -14.033 0.000 15.908) 21.213 5.583 ( -6.609 0.000 -6.246) 9.093 5.792 ( 4.308 0.000 1.260) 4.488 5.940 ( 0.165 0.000 -5.355) 5.358 6.009 ( 16.126 0.000 2.068) 16.258 6.059 ( 12.904 0.000 0.166) 12.906 6.259 ( 0.450 0.000 2.437) 2.478 6.259 ( 12.213 0.000 2.639) 12.495 6.359 ( -3.843 0.000 4.420) 5.857 6.445 ( 0.217 0.000 3.060) 3.068 6.467 ( -0.933 0.000 1.072) 1.421 6.657 ( 0.226 0.000 0.440) 0.494 6.816 ( -9.580 0.000 3.736) 10.282 7.086 ( -0.262 0.000 -12.128) 12.131 7.234 ( -13.297 0.000 -6.603) 14.846 7.410 ( -5.443 0.000 -34.166) 34.597 7.411 ( 2.342 0.000 -0.138) 2.346 7.451 ( 2.486 0.000 0.059) 2.487 7.489 ( 8.529 0.000 -0.811) 8.567 8.007 ( 0.187 0.000 -0.491) 0.525 8.014 ( -1.788 0.000 -8.695) 8.877 8.028 ( -10.451 0.000 -9.169) 13.903 8.090 ( -0.282 0.000 -2.304) 2.321 8.161 ( -7.907 0.000 -8.181) 11.377 8.390 ( 7.599 0.000 -0.209) 7.602 8.596 ( 0.869 0.000 -0.931) 1.274 8.608 ( 8.554 0.000 -10.025) 13.178 8.653 ( 3.391 0.000 1.681) 3.785 8.659 ( -1.411 0.000 -3.171) 3.471 8.720 ( 5.526 0.000 -0.986) 5.614 8.884 ( 0.134 0.000 2.017) 2.021 8.934 ( -0.312 0.000 2.279) 2.300 9.063 ( 1.683 0.000 0.387) 1.727 9.153 ( -1.599 0.000 -1.194) 1.996 9.284 ( 6.249 0.000 2.248) 6.641 9.402 ( -0.310 0.000 -1.763) 1.790 9.567 ( -0.086 0.000 -1.850) 1.852 9.701 ( -2.430 0.000 -5.809) 6.297 9.877 ( 0.595 0.000 2.366) 2.439 9.906 ( -0.550 0.000 1.761) 1.844 10.626 ( -1.954 0.000 -7.698) 7.942 10.669 ( -3.661 0.000 -9.511) 10.191 11.228 ( 4.755 0.000 16.360) 17.037 11.367 ( 0.133 0.000 14.065) 14.065 11.610 ( 0.108 0.000 9.143) 9.143 11.619 ( 0.084 0.000 6.235) 6.236 11.941 ( 1.118 0.000 -2.992) 3.194 12.096 ( -5.103 0.000 -7.775) 9.300 12.707 ( 1.172 0.000 0.917) 1.488 12.724 ( 0.203 0.000 1.041) 1.060 13.289 ( 1.262 0.000 1.439) 1.914 13.375 ( -2.355 0.000 -2.278) 3.276 13.808 ( 3.731 0.000 5.219) 6.415 13.866 ( 3.629 0.000 0.105) 3.631 13.966 ( -2.702 0.000 -1.475) 3.079 14.038 ( -3.127 0.000 -8.222) 8.796 14.841 ( 2.351 0.000 4.157) 4.775 14.881 ( 1.937 0.000 2.449) 3.123 15.256 ( -0.263 0.000 5.094) 5.101 15.449 ( -6.897 0.000 -3.806) 7.878 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -9.582 0.000 16.768) 19.313 2.334 ( 9.582 0.000 16.768) 19.313 2.565 ( -16.323 0.000 16.741) 23.382 2.565 ( 16.323 0.000 16.741) 23.382 3.303 ( -4.164 0.000 0.241) 4.171 3.303 ( 4.164 0.000 0.241) 4.171 3.313 ( -5.114 0.000 -4.327) 6.699 3.313 ( 5.114 0.000 -4.327) 6.699 3.656 ( -3.470 0.000 -1.203) 3.673 3.656 ( 3.470 0.000 -1.203) 3.673 3.841 ( -17.483 0.000 -10.718) 20.507 3.841 ( 17.483 0.000 -10.718) 20.507 3.924 ( -4.188 0.000 -14.258) 14.860 3.924 ( 4.188 0.000 -14.258) 14.860 4.561 ( -4.019 0.000 12.268) 12.909 4.561 ( 4.019 0.000 12.268) 12.909 4.764 ( -15.221 0.000 9.565) 17.977 4.764 ( 15.221 0.000 9.565) 17.977 4.897 ( -3.252 0.000 4.626) 5.655 4.897 ( 3.252 0.000 4.626) 5.655 5.138 ( -8.807 0.000 19.880) 21.744 5.138 ( 8.807 0.000 19.880) 21.744 5.364 ( -1.458 0.000 10.311) 10.414 5.364 ( 1.458 0.000 10.311) 10.414 5.376 ( -13.583 0.000 -12.844) 18.694 5.376 ( 13.583 0.000 -12.844) 18.694 5.890 ( -4.737 0.000 -3.173) 5.702 5.890 ( 4.737 0.000 -3.173) 5.702 6.207 ( -1.301 0.000 -1.493) 1.981 6.207 ( 1.301 0.000 -1.493) 1.981 6.271 ( -3.841 0.000 6.391) 7.456 6.271 ( 3.841 0.000 6.391) 7.456 6.451 ( -0.507 0.000 2.204) 2.261 6.451 ( 0.507 0.000 2.204) 2.261 6.557 ( -11.730 0.000 3.334) 12.195 6.557 ( 11.730 0.000 3.334) 12.195 6.834 ( -15.904 0.000 -0.584) 15.915 6.834 ( 15.904 0.000 -0.584) 15.915 7.229 ( -8.484 0.000 -20.362) 22.059 7.229 ( 8.484 0.000 -20.362) 22.059 7.460 ( -1.643 0.000 1.217) 2.044 7.460 ( 1.643 0.000 1.217) 2.044 7.753 ( -14.392 0.000 -8.514) 16.722 7.753 ( 14.392 0.000 -8.514) 16.722 8.049 ( -3.184 0.000 -3.658) 4.849 8.049 ( 3.184 0.000 -3.658) 4.849 8.053 ( -3.763 0.000 -12.181) 12.749 8.053 ( 3.763 0.000 -12.181) 12.749 8.569 ( -8.613 0.000 2.611) 9.000 8.569 ( 8.613 0.000 2.611) 9.000 8.625 ( -1.853 0.000 -2.058) 2.769 8.625 ( 1.853 0.000 -2.058) 2.769 8.750 ( -3.334 0.000 -4.815) 5.857 8.750 ( 3.334 0.000 -4.815) 5.857 8.907 ( -1.827 0.000 3.866) 4.276 8.907 ( 1.827 0.000 3.866) 4.276 9.110 ( -2.551 0.000 -1.336) 2.880 9.110 ( 2.551 0.000 -1.336) 2.880 9.392 ( -2.070 0.000 -0.234) 2.083 9.392 ( 2.070 0.000 -0.234) 2.083 9.614 ( -5.154 0.000 -4.531) 6.863 9.614 ( 5.154 0.000 -4.531) 6.863 9.892 ( -0.804 0.000 2.038) 2.191 9.892 ( 0.804 0.000 2.038) 2.191 10.610 ( -1.170 0.000 -7.126) 7.222 10.610 ( 1.170 0.000 -7.126) 7.222 11.330 ( -4.143 0.000 13.166) 13.802 11.330 ( 4.143 0.000 13.166) 13.802 11.615 ( -0.388 0.000 8.001) 8.010 11.615 ( 0.388 0.000 8.001) 8.010 11.993 ( -4.236 0.000 -3.935) 5.782 11.993 ( 4.236 0.000 -3.935) 5.782 12.723 ( -0.364 0.000 0.626) 0.725 12.723 ( 0.364 0.000 0.626) 0.725 13.325 ( -2.319 0.000 0.072) 2.320 13.325 ( 2.319 0.000 0.072) 2.320 13.893 ( -4.309 0.000 1.371) 4.522 13.893 ( 4.309 0.000 1.371) 4.522 13.955 ( -4.772 0.000 -4.364) 6.466 13.955 ( 4.772 0.000 -4.364) 6.466 14.889 ( -1.575 0.000 3.953) 4.255 14.889 ( 1.575 0.000 3.953) 4.255 15.306 ( -5.753 0.000 0.438) 5.770 15.306 ( 5.753 0.000 0.438) 5.770 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 0.000 8.539 26.781) 28.110 2.384 ( 0.000 23.993 23.249) 33.409 2.849 ( 0.000 21.117 7.603) 22.444 2.962 ( 0.000 0.663 9.344) 9.368 3.053 ( 0.000 0.731 -4.391) 4.452 3.176 ( 0.000 -4.653 5.536) 7.232 3.290 ( 0.000 5.828 -5.092) 7.740 3.411 ( 0.000 8.657 -8.364) 12.037 3.519 ( 0.000 6.648 -0.810) 6.697 3.770 ( 0.000 10.588 -8.485) 13.568 3.910 ( 0.000 -2.530 5.164) 5.750 3.979 ( 0.000 -2.496 0.012) 2.496 4.069 ( 0.000 2.936 -3.681) 4.709 4.195 ( 0.000 -2.760 -7.536) 8.026 4.391 ( 0.000 -9.031 -2.103) 9.272 4.486 ( 0.000 0.954 1.657) 1.912 4.693 ( 0.000 5.091 25.733) 26.232 4.714 ( 0.000 -4.243 -10.820) 11.622 4.916 ( 0.000 5.126 -5.322) 7.389 5.032 ( 0.000 1.567 -1.815) 2.398 5.042 ( 0.000 -8.388 7.984) 11.581 5.232 ( 0.000 2.041 29.083) 29.155 5.387 ( 0.000 -1.083 -6.684) 6.771 5.398 ( 0.000 -7.936 -7.230) 10.735 5.639 ( 0.000 -5.309 -9.531) 10.910 5.768 ( 0.000 4.647 2.488) 5.271 5.788 ( 0.000 3.071 12.675) 13.041 5.792 ( 0.000 5.636 8.511) 10.208 5.925 ( 0.000 5.033 1.146) 5.162 5.959 ( 0.000 13.743 10.057) 17.030 6.144 ( 0.000 1.147 5.233) 5.357 6.421 ( 0.000 8.481 -6.742) 10.834 6.447 ( 0.000 3.461 -1.393) 3.731 6.582 ( 0.000 7.748 3.546) 8.521 6.609 ( 0.000 9.179 2.849) 9.611 6.642 ( 0.000 3.497 0.736) 3.574 6.908 ( 0.000 0.492 1.590) 1.664 7.081 ( 0.000 -0.157 -8.209) 8.211 7.255 ( 0.000 -5.529 -7.925) 9.663 7.273 ( 0.000 -7.122 -9.774) 12.094 7.404 ( 0.000 0.506 -4.474) 4.502 7.432 ( 0.000 2.038 5.096) 5.489 7.567 ( 0.000 1.344 -21.899) 21.940 7.917 ( 0.000 -9.672 -0.654) 9.694 8.020 ( 0.000 -4.066 -4.736) 6.242 8.094 ( 0.000 -2.700 -8.389) 8.813 8.110 ( 0.000 1.495 0.023) 1.495 8.291 ( 0.000 -0.955 -3.187) 3.327 8.351 ( 0.000 -0.122 -10.236) 10.237 8.424 ( 0.000 -6.240 -7.604) 9.836 8.497 ( 0.000 -1.873 -1.149) 2.198 8.507 ( 0.000 -1.830 -2.546) 3.135 8.620 ( 0.000 1.273 0.441) 1.347 8.719 ( 0.000 1.495 -3.460) 3.769 8.879 ( 0.000 -1.662 4.570) 4.863 8.913 ( 0.000 -4.128 3.490) 5.406 9.134 ( 0.000 7.607 -1.016) 7.675 9.138 ( 0.000 -2.107 -1.824) 2.787 9.280 ( 0.000 4.003 3.865) 5.565 9.400 ( 0.000 -1.073 0.953) 1.435 9.546 ( 0.000 -2.748 -1.574) 3.167 9.661 ( 0.000 -4.709 -2.235) 5.213 9.978 ( 0.000 5.010 -0.028) 5.010 9.993 ( 0.000 11.595 -1.947) 11.757 10.665 ( 0.000 0.949 -9.003) 9.053 10.725 ( 0.000 0.982 -12.012) 12.052 11.052 ( 0.000 -12.561 18.294) 22.191 11.274 ( 0.000 -8.688 11.671) 14.550 11.582 ( 0.000 -2.938 5.399) 6.147 11.594 ( 0.000 -1.330 10.702) 10.784 11.841 ( 0.000 -7.956 -2.058) 8.217 12.016 ( 0.000 -11.580 -7.550) 13.824 12.716 ( 0.000 2.596 1.523) 3.010 12.721 ( 0.000 0.397 1.755) 1.800 13.373 ( 0.000 6.282 1.087) 6.376 13.464 ( 0.000 3.590 -2.684) 4.483 13.735 ( 0.000 -5.745 2.530) 6.277 13.802 ( 0.000 3.872 6.820) 7.843 14.030 ( 0.000 -3.080 -10.875) 11.303 14.058 ( 0.000 4.698 -3.903) 6.108 14.804 ( 0.000 -1.013 3.616) 3.755 14.832 ( 0.000 -2.002 2.125) 2.919 15.205 ( 0.000 -5.926 6.274) 8.630 15.433 ( 0.000 -8.755 -4.350) 9.776 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 9.364 7.364 24.645) 27.374 2.467 ( 7.669 22.967 20.329) 31.616 2.753 ( -8.845 17.928 11.073) 22.853 2.876 ( -8.087 4.883 9.014) 13.057 3.135 ( 7.054 -0.342 -1.459) 7.211 3.229 ( 4.206 -3.899 4.003) 6.994 3.275 ( 0.713 4.155 -4.032) 5.833 3.430 ( -1.254 4.462 -3.257) 5.665 3.601 ( 7.958 5.088 -4.864) 10.624 3.749 ( -1.355 7.871 -4.567) 9.200 3.816 ( -4.233 5.904 -0.050) 7.264 3.912 ( -4.199 -2.072 -9.066) 10.204 4.011 ( -8.157 -3.248 -10.092) 13.377 4.171 ( -13.076 -2.727 -8.926) 16.066 4.390 ( 12.672 -3.316 5.174) 14.084 4.554 ( 7.288 4.558 4.771) 9.831 4.676 ( -2.577 3.267 18.310) 18.777 4.847 ( 1.690 -5.583 1.070) 5.930 4.941 ( 1.950 6.057 5.500) 8.411 4.982 ( 1.158 -5.725 -5.771) 8.211 5.030 ( -2.885 0.962 -3.785) 4.855 5.178 ( -1.812 4.485 31.853) 32.218 5.295 ( -4.634 -4.791 -7.061) 9.710 5.377 ( -1.384 -1.007 -1.647) 2.375 5.510 ( -9.288 -0.410 11.288) 14.623 5.658 ( -10.275 8.646 4.925) 14.304 5.816 ( 6.079 1.540 0.003) 6.270 5.876 ( 5.450 1.198 -0.030) 5.580 6.054 ( 7.549 3.625 0.696) 8.404 6.125 ( 6.148 -1.066 0.678) 6.277 6.214 ( 7.146 2.483 5.751) 9.503 6.375 ( -1.520 6.703 -3.062) 7.525 6.446 ( 0.550 6.869 0.364) 6.901 6.588 ( -3.451 9.057 0.768) 9.723 6.589 ( 1.320 7.663 4.427) 8.948 6.652 ( 3.568 1.866 2.102) 4.542 6.822 ( -6.575 3.132 0.914) 7.340 7.047 ( -4.703 -1.941 -4.473) 6.774 7.145 ( -7.616 -5.142 -6.986) 11.544 7.324 ( -1.343 -4.389 -21.360) 21.848 7.441 ( 1.966 -1.096 2.476) 3.346 7.500 ( 6.524 1.350 -1.483) 6.825 7.512 ( 0.674 3.979 -11.705) 12.382 7.899 ( -1.193 -6.851 -5.207) 8.687 8.004 ( -5.129 -2.040 -11.429) 12.692 8.070 ( -1.769 0.322 -3.822) 4.224 8.105 ( 0.693 0.938 -4.479) 4.628 8.137 ( -8.172 -1.034 -4.950) 9.611 8.368 ( 4.103 -0.426 -1.536) 4.401 8.487 ( 3.438 -7.574 -3.427) 8.996 8.572 ( 4.296 -4.588 -2.142) 6.641 8.602 ( 1.703 -2.755 -5.158) 6.091 8.648 ( 4.863 -1.514 -0.576) 5.125 8.732 ( 1.741 2.276 -3.807) 4.765 8.881 ( -2.574 -4.708 3.283) 6.290 8.905 ( 0.979 -1.404 3.643) 4.025 9.115 ( -1.103 -0.644 0.432) 1.349 9.144 ( 0.444 4.574 0.091) 4.596 9.331 ( 4.307 3.006 1.743) 5.534 9.388 ( -0.751 -1.324 1.111) 1.885 9.542 ( 0.129 -2.471 -1.713) 3.009 9.643 ( -1.905 -4.411 -2.827) 5.574 9.987 ( 0.934 6.895 -0.030) 6.958 10.008 ( 0.944 11.682 -2.038) 11.896 10.646 ( -1.469 1.499 -8.079) 8.347 10.684 ( -3.378 1.118 -8.850) 9.538 11.105 ( 4.829 -12.495 14.243) 19.552 11.267 ( -1.119 -10.132 10.832) 14.875 11.586 ( 0.347 -2.559 6.044) 6.573 11.597 ( 0.128 -1.355 10.367) 10.456 11.847 ( 0.899 -8.056 -2.112) 8.377 11.970 ( -3.958 -10.474 -5.525) 12.486 12.724 ( 0.596 1.826 1.419) 2.388 12.726 ( 0.451 0.926 1.564) 1.873 13.381 ( 0.796 5.920 1.149) 6.083 13.443 ( -1.796 4.140 -1.238) 4.680 13.773 ( 3.484 -5.258 0.818) 6.360 13.831 ( 2.264 2.356 4.549) 5.601 14.005 ( -2.056 -2.107 -9.305) 9.760 14.033 ( -2.280 4.526 -3.432) 6.120 14.824 ( 1.914 -1.513 3.828) 4.539 14.856 ( 1.695 -2.249 2.525) 3.782 15.196 ( -0.152 -5.729 4.794) 7.471 15.366 ( -5.986 -7.823 -2.824) 10.247 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -11.672 10.437 18.972) 24.599 2.514 ( 11.672 10.437 18.972) 24.599 2.677 ( -10.107 15.775 13.507) 23.097 2.677 ( 10.107 15.775 13.507) 23.097 3.257 ( -2.757 -2.578 0.317) 3.787 3.257 ( 2.757 -2.578 0.317) 3.787 3.351 ( -5.187 1.841 -0.660) 5.543 3.351 ( 5.187 1.841 -0.660) 5.543 3.733 ( -2.544 3.933 -3.330) 5.747 3.733 ( 2.544 3.933 -3.330) 5.747 3.822 ( -5.590 1.634 -7.197) 9.258 3.822 ( 5.590 1.634 -7.197) 9.258 3.933 ( -8.483 1.335 -14.056) 16.471 3.933 ( 8.483 1.335 -14.056) 16.471 4.595 ( -6.312 2.168 9.022) 11.222 4.595 ( 6.312 2.168 9.022) 11.222 4.749 ( -9.409 -0.447 9.165) 13.143 4.749 ( 9.409 -0.447 9.165) 13.143 4.927 ( -2.042 2.885 0.998) 3.673 4.927 ( 2.042 2.885 0.998) 3.673 5.121 ( -8.369 -5.269 2.425) 10.182 5.121 ( 8.369 -5.269 2.425) 10.182 5.332 ( -7.073 3.638 25.549) 26.758 5.332 ( 7.073 3.638 25.549) 26.758 5.455 ( -8.919 4.533 -9.740) 13.963 5.455 ( 8.919 4.533 -9.740) 13.963 5.918 ( -2.691 2.771 -2.090) 4.392 5.918 ( 2.691 2.771 -2.090) 4.392 6.126 ( -1.622 -3.150 -1.581) 3.880 6.126 ( 1.622 -3.150 -1.581) 3.880 6.359 ( -5.308 0.909 4.843) 7.243 6.359 ( 5.308 0.909 4.843) 7.243 6.496 ( -5.080 7.880 1.010) 9.430 6.496 ( 5.080 7.880 1.010) 9.430 6.692 ( -6.348 5.859 1.294) 8.735 6.692 ( 6.348 5.859 1.294) 8.735 6.807 ( -12.960 2.179 1.140) 13.191 6.807 ( 12.960 2.179 1.140) 13.191 7.169 ( -7.221 -2.993 -12.857) 15.047 7.169 ( 7.221 -2.993 -12.857) 15.047 7.523 ( -1.801 3.283 -6.763) 7.730 7.523 ( 1.801 3.283 -6.763) 7.730 7.707 ( -13.299 -2.949 -5.323) 14.625 7.707 ( 13.299 -2.949 -5.323) 14.625 8.012 ( -3.271 -2.542 -9.256) 10.141 8.012 ( 3.271 -2.542 -9.256) 10.141 8.092 ( -1.589 1.985 -5.681) 6.224 8.092 ( 1.589 1.985 -5.681) 6.224 8.472 ( -4.770 -5.720 1.923) 7.692 8.472 ( 4.770 -5.720 1.923) 7.692 8.610 ( -0.192 -2.549 -4.451) 5.133 8.610 ( 0.192 -2.549 -4.451) 5.133 8.747 ( -2.881 -1.115 -2.745) 4.133 8.747 ( 2.881 -1.115 -2.745) 4.133 8.868 ( -3.036 -3.892 2.144) 5.382 8.868 ( 3.036 -3.892 2.144) 5.382 9.131 ( -1.716 1.895 1.639) 3.037 9.131 ( 1.716 1.895 1.639) 3.037 9.383 ( -0.482 -1.088 1.355) 1.803 9.383 ( 0.482 -1.088 1.355) 1.803 9.583 ( -3.650 -2.707 -3.213) 5.566 9.583 ( 3.650 -2.707 -3.213) 5.566 10.009 ( -0.898 10.379 -0.997) 10.465 10.009 ( 0.898 10.379 -0.997) 10.465 10.633 ( -0.884 1.761 -6.882) 7.159 10.633 ( 0.884 1.761 -6.882) 7.159 11.210 ( -4.647 -12.130 10.365) 16.618 11.210 ( 4.647 -12.130 10.365) 16.618 11.594 ( -0.381 -1.766 8.481) 8.671 11.594 ( 0.381 -1.766 8.481) 8.671 11.889 ( -3.415 -8.735 -2.788) 9.785 11.889 ( 3.415 -8.735 -2.788) 9.785 12.732 ( -0.060 1.287 1.388) 1.894 12.732 ( 0.060 1.287 1.388) 1.894 13.406 ( -1.698 5.109 0.568) 5.414 13.406 ( 1.698 5.109 0.568) 5.414 13.843 ( -2.187 -3.119 -0.256) 3.818 13.843 ( 2.187 -3.119 -0.256) 3.818 13.987 ( -1.308 2.771 -4.261) 5.248 13.987 ( 1.308 2.771 -4.261) 5.248 14.864 ( -1.294 -2.290 3.765) 4.593 14.864 ( 1.294 -2.290 3.765) 4.593 15.241 ( -5.050 -6.175 0.710) 8.009 15.241 ( 5.050 -6.175 0.710) 8.009 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 0.000 16.172 22.367) 27.601 2.838 ( 0.000 16.444 13.255) 21.121 2.997 ( 0.000 3.005 6.959) 7.580 3.093 ( 0.000 -2.029 3.998) 4.484 3.119 ( 0.000 6.170 4.967) 7.921 3.272 ( 0.000 14.957 9.759) 17.859 3.418 ( 0.000 6.422 2.357) 6.841 3.597 ( 0.000 6.068 6.468) 8.869 3.611 ( 0.000 2.864 -2.090) 3.545 3.836 ( 0.000 -3.072 0.713) 3.154 3.911 ( 0.000 -3.072 -5.606) 6.392 4.002 ( 0.000 7.940 -4.348) 9.052 4.067 ( 0.000 -8.218 -6.522) 10.492 4.201 ( 0.000 6.733 0.211) 6.736 4.345 ( 0.000 14.550 -6.899) 16.103 4.496 ( 0.000 0.173 -6.611) 6.614 4.723 ( 0.000 -2.106 10.462) 10.672 4.732 ( 0.000 5.452 -0.301) 5.460 4.830 ( 0.000 -9.335 5.195) 10.683 5.065 ( 0.000 1.720 -5.251) 5.525 5.138 ( 0.000 -14.548 -8.715) 16.959 5.172 ( 0.000 16.611 2.950) 16.871 5.262 ( 0.000 -0.348 20.823) 20.826 5.353 ( 0.000 -2.048 -5.264) 5.648 5.588 ( 0.000 -3.417 -10.688) 11.221 5.862 ( 0.000 5.281 11.674) 12.813 5.881 ( 0.000 5.493 -0.876) 5.562 5.972 ( 0.000 11.019 5.527) 12.328 6.022 ( 0.000 -0.768 1.048) 1.299 6.169 ( 0.000 6.752 6.289) 9.227 6.208 ( 0.000 9.268 7.073) 11.658 6.509 ( 0.000 -5.476 -0.008) 5.476 6.548 ( 0.000 6.539 -7.372) 9.854 6.601 ( 0.000 -4.227 6.834) 8.035 6.621 ( 0.000 5.633 1.285) 5.777 6.751 ( 0.000 -5.124 -4.708) 6.959 6.981 ( 0.000 2.073 -4.028) 4.530 7.174 ( 0.000 -6.655 -3.468) 7.504 7.229 ( 0.000 15.412 1.803) 15.517 7.274 ( 0.000 6.765 7.828) 10.346 7.385 ( 0.000 -0.807 -3.683) 3.770 7.465 ( 0.000 -2.150 -16.491) 16.630 7.499 ( 0.000 3.394 3.399) 4.803 7.842 ( 0.000 2.369 -14.032) 14.230 7.942 ( 0.000 -3.657 -7.258) 8.127 7.990 ( 0.000 -6.192 -7.747) 9.918 8.141 ( 0.000 3.061 -3.851) 4.919 8.192 ( 0.000 -7.650 -11.181) 13.547 8.333 ( 0.000 -1.773 -1.241) 2.164 8.404 ( 0.000 4.009 -3.567) 5.366 8.498 ( 0.000 0.105 -1.785) 1.788 8.522 ( 0.000 1.280 -1.957) 2.339 8.648 ( 0.000 2.806 -0.701) 2.892 8.718 ( 0.000 -1.133 -2.332) 2.592 8.792 ( 0.000 -7.062 3.518) 7.890 8.809 ( 0.000 -4.975 6.017) 7.807 9.100 ( 0.000 -1.299 -1.957) 2.349 9.255 ( 0.000 3.831 -3.267) 5.035 9.377 ( 0.000 6.376 5.020) 8.115 9.389 ( 0.000 1.042 4.934) 5.043 9.467 ( 0.000 -4.830 -0.333) 4.842 9.560 ( 0.000 -5.207 -0.529) 5.234 10.029 ( 0.000 -2.505 4.785) 5.402 10.275 ( 0.000 15.242 -6.685) 16.643 10.571 ( 0.000 -19.164 3.311) 19.448 10.737 ( 0.000 0.039 -12.675) 12.675 10.790 ( 0.000 -4.513 0.674) 4.563 11.033 ( 0.000 -13.611 0.252) 13.614 11.522 ( 0.000 -2.636 7.402) 7.857 11.562 ( 0.000 -1.767 9.513) 9.675 11.682 ( 0.000 -6.755 1.738) 6.975 11.792 ( 0.000 -9.565 -0.923) 9.610 12.756 ( 0.000 3.519 2.687) 4.428 12.798 ( 0.000 5.703 1.110) 5.810 13.372 ( 0.000 -11.597 3.600) 12.143 13.383 ( 0.000 -6.124 3.231) 6.924 13.767 ( 0.000 7.424 -2.001) 7.689 13.925 ( 0.000 6.611 2.433) 7.045 14.007 ( 0.000 2.427 -11.463) 11.717 14.149 ( 0.000 3.978 -5.228) 6.570 14.789 ( 0.000 -1.768 2.447) 3.020 14.790 ( 0.000 -0.012 2.403) 2.403 15.056 ( 0.000 -8.308 5.300) 9.854 15.220 ( 0.000 -11.650 -1.984) 11.817 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 6.014 13.499 20.712) 25.444 2.880 ( -3.952 7.619 12.591) 15.238 2.938 ( 1.427 12.383 8.492) 15.083 3.112 ( 0.955 5.620 9.680) 11.234 3.129 ( 1.952 -0.019 2.212) 2.950 3.289 ( 1.336 11.334 10.482) 15.496 3.377 ( -4.167 6.352 2.442) 7.980 3.493 ( -6.130 1.945 5.935) 8.751 3.672 ( 5.357 1.882 -1.968) 6.009 3.800 ( -2.732 -1.784 -6.536) 7.305 3.823 ( -8.610 -5.850 -2.985) 10.829 3.986 ( -3.898 -1.146 -6.979) 8.075 4.044 ( 2.355 11.895 -5.088) 13.150 4.250 ( -5.400 16.580 -10.378) 20.292 4.377 ( 12.409 3.445 1.177) 12.932 4.606 ( 8.161 0.030 -1.960) 8.393 4.703 ( -1.321 -1.414 5.253) 5.597 4.756 ( 0.770 -2.089 10.818) 11.045 4.883 ( 3.723 -1.518 -2.352) 4.658 5.037 ( -4.294 -2.843 -6.504) 8.296 5.072 ( -3.856 -5.855 -6.184) 9.348 5.168 ( -5.234 6.572 -9.015) 12.323 5.296 ( 4.365 4.197 34.034) 34.569 5.339 ( 4.339 -0.171 -3.120) 5.347 5.566 ( -5.216 3.311 1.786) 6.431 5.846 ( -0.546 5.833 1.584) 6.069 5.871 ( 0.333 7.229 5.447) 9.058 5.960 ( 1.171 6.078 0.359) 6.200 6.069 ( 1.962 -2.848 -1.666) 3.839 6.163 ( -2.862 5.061 3.579) 6.827 6.263 ( 5.711 3.597 5.788) 8.892 6.458 ( -7.301 -0.784 -1.631) 7.522 6.521 ( 1.496 -4.974 0.872) 5.266 6.596 ( 0.984 -2.754 4.598) 5.450 6.626 ( -2.865 4.208 0.078) 5.092 6.755 ( 0.576 -0.260 -2.682) 2.755 6.954 ( 0.197 3.221 -0.424) 3.254 7.093 ( -5.955 8.073 -3.087) 10.496 7.244 ( -3.495 13.738 -1.526) 14.257 7.292 ( 5.134 0.692 -12.384) 13.423 7.396 ( -1.591 0.920 -0.059) 1.839 7.503 ( 5.148 -5.094 -5.403) 9.036 7.539 ( 4.416 2.597 -2.510) 5.705 7.817 ( -3.849 -0.493 -10.624) 11.311 7.949 ( 0.126 -1.744 -9.048) 9.216 8.014 ( 1.480 -4.226 -6.053) 7.529 8.123 ( 0.206 1.233 -7.356) 7.462 8.167 ( -3.870 2.665 -3.742) 6.007 8.361 ( 1.637 -1.469 0.379) 2.232 8.413 ( 0.681 0.141 -2.204) 2.311 8.490 ( 1.619 -2.630 -2.901) 4.237 8.539 ( 1.760 -2.474 -4.444) 5.383 8.637 ( -0.418 -0.040 1.119) 1.195 8.734 ( 1.258 -2.961 -1.714) 3.645 8.765 ( -2.494 -6.227 2.610) 7.198 8.841 ( 0.458 -3.503 0.652) 3.592 9.097 ( 1.172 0.234 0.985) 1.549 9.241 ( -1.939 3.619 -0.721) 4.168 9.368 ( -0.430 2.138 5.142) 5.585 9.401 ( 0.553 3.896 4.082) 5.670 9.469 ( 0.678 -4.785 -1.485) 5.056 9.549 ( -1.180 -4.995 -1.491) 5.344 10.080 ( 4.877 -0.802 5.000) 7.031 10.279 ( -1.063 12.779 -3.272) 13.234 10.579 ( 1.545 -14.383 0.186) 14.467 10.706 ( -2.712 1.137 -9.805) 10.236 10.821 ( 3.016 -8.564 -1.764) 9.249 10.999 ( -3.435 -14.279 -0.587) 14.698 11.534 ( 1.084 -2.253 7.664) 8.061 11.569 ( 0.238 -1.368 9.571) 9.671 11.686 ( 0.630 -7.120 1.313) 7.268 11.767 ( -2.224 -8.749 -0.009) 9.027 12.768 ( 1.098 3.961 2.645) 4.888 12.799 ( -0.018 5.531 1.522) 5.736 13.371 ( 0.019 -10.389 3.504) 10.964 13.381 ( -0.213 -7.317 3.157) 7.972 13.802 ( 3.225 7.187 -2.752) 8.345 13.934 ( -0.337 7.717 0.293) 7.730 13.998 ( 0.268 1.432 -9.277) 9.390 14.119 ( -2.812 3.752 -4.903) 6.784 14.795 ( 0.995 -1.141 2.991) 3.352 14.811 ( 1.252 -1.425 2.479) 3.121 15.051 ( 0.011 -8.193 4.141) 9.180 15.173 ( -4.170 -10.633 -1.111) 11.475 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -11.193 8.379 15.796) 21.095 2.675 ( 11.193 8.379 15.796) 21.095 3.061 ( -5.838 12.586 10.346) 17.307 3.061 ( 5.838 12.586 10.346) 17.307 3.222 ( -6.150 1.628 6.552) 9.132 3.222 ( 6.150 1.628 6.552) 9.132 3.390 ( -4.908 2.259 5.008) 7.367 3.390 ( 4.908 2.259 5.008) 7.367 3.718 ( -0.913 -0.676 -6.782) 6.876 3.718 ( 0.913 -0.676 -6.782) 6.876 3.851 ( -7.725 -2.392 -4.001) 9.023 3.851 ( 7.725 -2.392 -4.001) 9.023 4.135 ( -5.625 18.425 -9.147) 21.326 4.135 ( 5.625 18.425 -9.147) 21.326 4.598 ( -7.676 -0.735 0.947) 7.769 4.598 ( 7.676 -0.735 0.947) 7.769 4.785 ( -2.864 2.810 7.247) 8.284 4.785 ( 2.864 2.810 7.247) 8.284 4.908 ( -4.072 -6.711 -4.514) 9.056 4.908 ( 4.072 -6.711 -4.514) 9.056 5.061 ( -2.739 2.385 -3.002) 4.712 5.061 ( 2.739 2.385 -3.002) 4.712 5.367 ( -3.532 -1.429 13.575) 14.099 5.367 ( 3.532 -1.429 13.575) 14.099 5.648 ( -12.239 13.989 6.741) 19.772 5.648 ( 12.239 13.989 6.741) 19.772 5.981 ( -1.877 2.404 -1.376) 3.346 5.981 ( 1.877 2.404 -1.376) 3.346 6.093 ( -3.960 0.006 -2.685) 4.785 6.093 ( 3.960 0.006 -2.685) 4.785 6.344 ( -4.117 -1.999 4.248) 6.244 6.344 ( 4.117 -1.999 4.248) 6.244 6.564 ( -2.622 -1.965 2.695) 4.243 6.564 ( 2.622 -1.965 2.695) 4.243 6.678 ( -6.750 -3.111 1.156) 7.522 6.678 ( 6.750 -3.111 1.156) 7.522 7.006 ( -3.262 10.352 -6.173) 12.486 7.006 ( 3.262 10.352 -6.173) 12.486 7.239 ( -3.916 11.929 -3.273) 12.975 7.239 ( 3.916 11.929 -3.273) 12.975 7.511 ( -4.867 -4.704 -13.309) 14.931 7.511 ( 4.867 -4.704 -13.309) 14.931 7.669 ( -8.695 -1.067 -0.461) 8.772 7.669 ( 8.695 -1.067 -0.461) 8.772 7.989 ( -3.165 0.625 -5.119) 6.051 7.989 ( 3.165 0.625 -5.119) 6.051 8.125 ( -1.317 2.587 -7.335) 7.889 8.125 ( 1.317 2.587 -7.335) 7.889 8.402 ( -2.395 -1.825 1.516) 3.371 8.402 ( 2.395 -1.825 1.516) 3.371 8.536 ( -2.008 -4.532 -4.006) 6.374 8.536 ( 2.008 -4.532 -4.006) 6.374 8.687 ( -4.480 -4.112 0.616) 6.112 8.687 ( 4.480 -4.112 0.616) 6.112 8.791 ( -3.871 -3.447 -1.878) 5.513 8.791 ( 3.871 -3.447 -1.878) 5.513 9.169 ( -4.748 2.027 2.277) 5.643 9.169 ( 4.748 2.027 2.277) 5.643 9.382 ( -1.633 2.408 4.686) 5.516 9.382 ( 1.633 2.408 4.686) 5.516 9.510 ( -2.580 -4.521 -2.659) 5.845 9.510 ( 2.580 -4.521 -2.659) 5.845 10.200 ( -6.118 4.179 3.151) 8.052 10.200 ( 6.118 4.179 3.151) 8.052 10.639 ( -3.737 -2.287 -6.413) 7.767 10.639 ( 3.737 -2.287 -6.413) 7.767 10.907 ( -5.132 -13.742 -1.896) 14.791 10.907 ( 5.132 -13.742 -1.896) 14.791 11.559 ( -1.154 -1.479 8.643) 8.844 11.559 ( 1.154 -1.479 8.643) 8.844 11.717 ( -2.397 -7.643 1.059) 8.080 11.717 ( 2.397 -7.643 1.059) 8.080 12.790 ( -0.912 4.884 2.280) 5.467 12.790 ( 0.912 4.884 2.280) 5.467 13.375 ( -0.330 -8.838 3.248) 9.422 13.375 ( 0.330 -8.838 3.248) 9.422 13.880 ( -4.068 6.934 -3.972) 8.967 13.880 ( 4.068 6.934 -3.972) 8.967 14.048 ( -3.782 2.921 -4.544) 6.594 14.048 ( 3.782 2.921 -4.544) 6.594 14.818 ( -0.802 -1.700 3.249) 3.754 14.818 ( 0.802 -1.700 3.249) 3.754 15.085 ( -3.645 -8.817 1.158) 9.611 15.085 ( 3.645 -8.817 1.158) 9.611 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 0.000 16.213 15.190) 22.217 2.975 ( 0.000 -1.071 6.293) 6.384 3.046 ( 0.000 0.331 3.585) 3.600 3.061 ( 0.000 -1.173 4.253) 4.412 3.279 ( 0.000 8.407 12.469) 15.039 3.397 ( 0.000 -1.636 12.495) 12.602 3.510 ( 0.000 2.679 18.728) 18.919 3.576 ( 0.000 -4.306 15.854) 16.428 3.666 ( 0.000 2.608 -7.982) 8.397 3.735 ( 0.000 -5.395 -3.247) 6.296 3.837 ( 0.000 -0.355 -7.311) 7.320 3.902 ( 0.000 -6.527 -5.583) 8.589 4.303 ( 0.000 15.387 -1.251) 15.437 4.382 ( 0.000 9.313 -5.069) 10.603 4.536 ( 0.000 3.674 -1.310) 3.900 4.634 ( 0.000 -7.561 7.539) 10.677 4.661 ( 0.000 -0.825 -1.267) 1.511 4.781 ( 0.000 -9.997 -9.288) 13.646 4.811 ( 0.000 20.558 -7.347) 21.832 4.905 ( 0.000 3.355 -0.471) 3.388 5.145 ( 0.000 1.490 -4.666) 4.898 5.160 ( 0.000 -7.769 -6.484) 10.119 5.330 ( 0.000 -0.476 3.734) 3.764 5.421 ( 0.000 -11.576 -11.553) 16.354 5.538 ( 0.000 18.129 8.664) 20.093 5.839 ( 0.000 -11.262 2.216) 11.478 5.998 ( 0.000 7.535 2.497) 7.938 6.035 ( 0.000 4.166 -0.020) 4.166 6.164 ( 0.000 5.885 6.021) 8.419 6.288 ( 0.000 -5.897 4.280) 7.286 6.362 ( 0.000 9.266 5.281) 10.665 6.411 ( 0.000 4.913 6.139) 7.863 6.518 ( 0.000 -2.965 7.345) 7.921 6.594 ( 0.000 -9.060 -0.433) 9.071 6.647 ( 0.000 2.447 -1.726) 2.994 6.689 ( 0.000 -0.998 4.949) 5.049 6.932 ( 0.000 -8.181 6.904) 10.705 6.963 ( 0.000 -4.799 1.248) 4.959 7.275 ( 0.000 -0.098 -13.825) 13.825 7.305 ( 0.000 -0.826 -15.826) 15.848 7.613 ( 0.000 8.353 -4.608) 9.540 7.663 ( 0.000 15.358 0.523) 15.367 7.701 ( 0.000 14.479 -1.246) 14.532 7.818 ( 0.000 -7.960 -5.410) 9.625 7.870 ( 0.000 0.075 -14.529) 14.529 7.942 ( 0.000 0.188 -10.772) 10.773 8.035 ( 0.000 -6.058 -5.712) 8.326 8.169 ( 0.000 -8.412 -4.153) 9.381 8.349 ( 0.000 6.997 3.732) 7.930 8.470 ( 0.000 -0.395 -0.847) 0.935 8.510 ( 0.000 2.398 1.917) 3.070 8.518 ( 0.000 1.747 0.745) 1.899 8.605 ( 0.000 -6.784 4.526) 8.155 8.639 ( 0.000 -7.182 0.628) 7.209 8.762 ( 0.000 5.371 -4.069) 6.738 8.821 ( 0.000 2.901 -6.918) 7.502 9.118 ( 0.000 4.752 -0.045) 4.752 9.258 ( 0.000 -5.356 -4.562) 7.036 9.387 ( 0.000 0.822 1.880) 2.052 9.458 ( 0.000 -4.856 -0.644) 4.898 9.496 ( 0.000 9.074 8.951) 12.746 9.567 ( 0.000 12.401 9.050) 15.352 9.829 ( 0.000 -13.771 9.682) 16.834 10.050 ( 0.000 -26.938 8.941) 28.383 10.554 ( 0.000 12.013 -9.580) 15.365 10.722 ( 0.000 -3.146 -11.626) 12.044 10.785 ( 0.000 0.565 -10.686) 10.701 10.822 ( 0.000 -6.071 -10.713) 12.314 11.493 ( 0.000 -0.054 7.662) 7.662 11.520 ( 0.000 -2.402 7.066) 7.463 11.607 ( 0.000 -0.428 6.168) 6.183 11.651 ( 0.000 -4.642 4.524) 6.482 12.868 ( 0.000 7.457 3.078) 8.067 12.930 ( 0.000 5.811 0.742) 5.858 13.139 ( 0.000 -8.836 5.279) 10.293 13.199 ( 0.000 -10.149 3.343) 10.685 13.907 ( 0.000 5.422 -3.028) 6.210 13.967 ( 0.000 -0.774 -3.271) 3.361 14.131 ( 0.000 6.187 -6.301) 8.831 14.193 ( 0.000 -0.066 -5.672) 5.672 14.780 ( 0.000 1.279 2.608) 2.905 14.810 ( 0.000 0.814 0.953) 1.253 14.921 ( 0.000 -2.928 4.034) 4.985 15.007 ( 0.000 -8.985 0.083) 8.986 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 1.519 14.161 14.244) 20.142 2.960 ( -1.631 0.448 7.923) 8.101 3.009 ( -2.629 -0.568 4.498) 5.241 3.087 ( 0.347 -4.339 3.930) 5.864 3.275 ( 1.109 7.365 11.794) 13.949 3.366 ( -0.882 -1.386 9.326) 9.469 3.486 ( -5.152 2.351 16.666) 17.602 3.517 ( -4.202 -0.085 13.736) 14.365 3.690 ( 3.205 0.329 -2.170) 3.884 3.709 ( -0.304 -2.590 -6.366) 6.879 3.819 ( -2.537 1.604 -3.664) 4.736 3.881 ( -3.209 -4.963 -1.835) 6.189 4.361 ( 6.051 13.914 -4.109) 15.719 4.464 ( 5.998 6.834 -5.806) 10.789 4.563 ( 3.954 -0.203 -4.159) 5.742 4.660 ( -0.627 2.118 -7.648) 7.960 4.701 ( 4.570 -2.589 2.169) 5.683 4.711 ( -2.260 6.671 2.283) 7.404 4.842 ( -0.916 -1.487 -6.356) 6.591 4.924 ( 0.769 3.515 -0.707) 3.667 5.105 ( -2.320 1.713 -5.333) 6.063 5.198 ( 2.792 -6.060 -5.201) 8.460 5.251 ( -6.512 1.718 -3.585) 7.630 5.365 ( -4.346 -7.848 2.983) 9.455 5.691 ( 11.494 11.743 7.631) 18.118 5.881 ( 4.216 -4.068 4.994) 7.699 6.002 ( -0.239 2.957 -0.420) 2.997 6.012 ( -1.155 2.376 0.072) 2.643 6.127 ( -2.236 6.465 4.586) 8.236 6.248 ( -2.126 -3.291 6.788) 7.838 6.316 ( -5.129 4.863 8.402) 10.979 6.400 ( -3.394 2.451 6.990) 8.147 6.499 ( -3.070 0.438 -0.905) 3.231 6.524 ( 0.171 -1.369 5.233) 5.412 6.581 ( -2.452 -5.073 -0.117) 5.636 6.667 ( -6.681 -11.690 6.807) 15.087 7.017 ( 10.933 6.846 -3.926) 13.483 7.157 ( 10.267 -6.162 -4.603) 12.828 7.246 ( -0.404 4.326 -14.802) 15.427 7.356 ( 2.681 -7.055 -16.410) 18.062 7.531 ( -5.042 10.686 -4.483) 12.637 7.603 ( -1.166 2.896 -3.583) 4.753 7.651 ( -5.137 13.434 -0.984) 14.416 7.800 ( -5.755 -2.916 -7.573) 9.949 7.940 ( 5.613 1.349 -6.801) 8.921 7.984 ( 4.582 1.706 -5.804) 7.589 8.101 ( 4.502 -2.641 -3.017) 6.029 8.199 ( 1.343 -4.973 -2.551) 5.748 8.353 ( 0.246 2.841 2.897) 4.065 8.399 ( -3.880 -0.744 0.252) 3.958 8.470 ( -3.638 -0.242 1.077) 3.802 8.504 ( -2.566 -1.733 0.644) 3.162 8.610 ( 2.741 -1.920 0.749) 3.429 8.661 ( 0.479 -4.545 -0.289) 4.579 8.727 ( -2.028 4.739 -3.559) 6.264 8.799 ( -2.932 -1.601 -6.035) 6.898 9.155 ( 3.566 6.209 0.461) 7.175 9.282 ( 1.403 -1.892 -3.938) 4.589 9.359 ( -2.032 -1.292 1.957) 3.103 9.433 ( -2.273 -4.699 -0.660) 5.262 9.516 ( 1.849 10.763 8.670) 13.944 9.579 ( 0.459 14.185 7.847) 16.217 9.868 ( 3.899 -17.565 11.384) 21.292 10.040 ( -1.653 -26.693 10.719) 28.812 10.579 ( 2.816 10.538 -10.824) 15.366 10.721 ( -0.511 -0.797 -12.551) 12.586 10.767 ( -1.599 -1.232 -9.581) 9.791 10.799 ( -1.887 -5.163 -11.248) 12.520 11.511 ( 1.670 0.213 7.459) 7.646 11.540 ( 1.733 -2.020 7.011) 7.499 11.596 ( -1.044 -0.955 5.805) 5.975 11.636 ( -1.467 -4.448 4.679) 6.620 12.890 ( 1.991 8.080 3.209) 8.919 12.939 ( 0.547 7.564 1.498) 7.730 13.134 ( -0.132 -10.580 4.664) 11.563 13.183 ( -1.538 -10.853 3.245) 11.431 13.941 ( 3.231 5.441 -3.584) 7.272 14.000 ( 3.090 -0.550 -3.617) 4.789 14.100 ( -2.941 6.010 -5.967) 8.965 14.161 ( -3.100 -0.096 -5.424) 6.248 14.792 ( 1.154 1.507 2.664) 3.271 14.821 ( 0.886 1.439 1.170) 2.056 14.909 ( -0.878 -4.301 3.624) 5.692 14.977 ( -2.682 -8.329 0.478) 8.763 ======================= Grid point 122 (48/60) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( -5.775 9.775 11.029) 15.829 2.860 ( 5.775 9.775 11.029) 15.829 3.038 ( -3.830 -7.432 5.512) 10.014 3.038 ( 3.830 -7.432 5.512) 10.014 3.353 ( -6.177 5.643 11.086) 13.889 3.353 ( 6.177 5.643 11.086) 13.889 3.416 ( -5.167 -0.659 9.589) 10.912 3.416 ( 5.167 -0.659 9.589) 10.912 3.743 ( -3.349 2.122 -1.743) 4.330 3.743 ( 3.349 2.122 -1.743) 4.330 3.791 ( -4.829 -2.905 -0.380) 5.648 3.791 ( 4.829 -2.905 -0.380) 5.648 4.491 ( -5.291 12.740 -7.450) 15.678 4.491 ( 5.291 12.740 -7.450) 15.678 4.627 ( -3.132 0.547 -5.827) 6.637 4.627 ( 3.132 0.547 -5.827) 6.637 4.754 ( -6.210 0.956 -5.119) 8.104 4.754 ( 6.210 0.956 -5.119) 8.104 4.854 ( -7.250 -1.656 1.908) 7.677 4.854 ( 7.250 -1.656 1.908) 7.677 5.121 ( -4.589 4.381 -1.173) 6.452 5.121 ( 4.589 4.381 -1.173) 6.452 5.270 ( -4.224 -8.398 0.498) 9.413 5.270 ( 4.224 -8.398 0.498) 9.413 5.910 ( -7.738 9.155 7.428) 14.102 5.910 ( 7.738 9.155 7.428) 14.102 5.986 ( -3.345 -1.135 -0.559) 3.577 5.986 ( 3.345 -1.135 -0.559) 3.577 6.148 ( -5.789 6.750 4.758) 10.086 6.148 ( 5.789 6.750 4.758) 10.086 6.305 ( -5.533 -4.027 10.193) 12.277 6.305 ( 5.533 -4.027 10.193) 12.277 6.506 ( -2.666 -1.827 0.924) 3.362 6.506 ( 2.666 -1.827 0.924) 3.362 6.562 ( -2.788 -6.434 3.131) 7.679 6.562 ( 2.788 -6.434 3.131) 7.679 7.182 ( -4.258 8.289 -14.465) 17.207 7.182 ( 4.258 8.289 -14.465) 17.207 7.351 ( -4.637 -8.433 -15.427) 18.183 7.351 ( 4.637 -8.433 -15.427) 18.183 7.531 ( -5.126 11.605 -1.920) 12.831 7.531 ( 5.126 11.605 -1.920) 12.831 7.656 ( -6.587 -1.707 -1.440) 6.955 7.656 ( 6.587 -1.707 -1.440) 6.955 8.037 ( -2.922 5.130 -1.946) 6.216 8.037 ( 2.922 5.130 -1.946) 6.216 8.156 ( -3.792 -3.015 -3.538) 5.999 8.156 ( 3.792 -3.015 -3.538) 5.999 8.380 ( -2.025 0.414 2.455) 3.209 8.380 ( 2.025 0.414 2.455) 3.209 8.436 ( -2.815 -4.832 -0.002) 5.592 8.436 ( 2.815 -4.832 -0.002) 5.592 8.661 ( -0.815 2.294 -2.178) 3.267 8.661 ( 0.815 2.294 -2.178) 3.267 8.725 ( -2.945 -3.304 -3.850) 5.866 8.725 ( 2.945 -3.304 -3.850) 5.866 9.242 ( -4.498 5.900 0.440) 7.432 9.242 ( 4.498 5.900 0.440) 7.432 9.376 ( -2.986 -6.373 -1.037) 7.114 9.376 ( 2.986 -6.373 -1.037) 7.114 9.561 ( -2.112 14.263 7.772) 16.379 9.561 ( 2.112 14.263 7.772) 16.379 9.968 ( -5.194 -23.101 12.469) 26.760 9.968 ( 5.194 -23.101 12.469) 26.760 10.662 ( -4.717 5.538 -12.077) 14.099 10.662 ( 4.717 5.538 -12.077) 14.099 10.765 ( -1.271 -4.274 -10.698) 11.590 10.765 ( 1.271 -4.274 -10.698) 11.590 11.549 ( -1.651 0.796 7.426) 7.649 11.549 ( 1.651 0.796 7.426) 7.649 11.598 ( -1.957 -4.247 4.821) 6.716 11.598 ( 1.957 -4.247 4.821) 6.716 12.931 ( -1.573 9.225 2.948) 9.811 12.931 ( 1.573 9.225 2.948) 9.811 13.148 ( -1.541 -12.155 3.449) 12.728 13.148 ( 1.541 -12.155 3.449) 12.728 14.022 ( -4.421 5.668 -4.716) 8.597 14.022 ( 4.421 5.668 -4.716) 8.597 14.080 ( -4.519 -0.251 -4.737) 6.552 14.080 ( 4.519 -0.251 -4.737) 6.552 14.821 ( -1.239 2.442 2.450) 3.674 14.821 ( 1.239 2.442 2.450) 3.674 14.919 ( -2.358 -7.213 1.640) 7.764 14.919 ( 2.358 -7.213 1.640) 7.764 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 0.000 0.000 -13.389) 13.389 2.552 ( 0.000 0.000 13.389) 13.389 2.644 ( 0.000 0.000 -21.906) 21.906 2.644 ( 0.000 0.000 21.906) 21.906 3.166 ( 0.000 0.000 -1.237) 1.237 3.166 ( 0.000 0.000 1.237) 1.237 3.295 ( 0.000 0.000 -7.186) 7.186 3.295 ( 0.000 0.000 7.186) 7.186 3.459 ( 0.000 0.000 -6.657) 6.657 3.459 ( 0.000 0.000 6.657) 6.657 3.891 ( 0.000 0.000 -1.255) 1.255 3.891 ( 0.000 0.000 1.255) 1.255 4.265 ( 0.000 0.000 -1.692) 1.692 4.265 ( 0.000 0.000 1.692) 1.692 4.389 ( 0.000 0.000 -10.604) 10.604 4.389 ( 0.000 0.000 10.604) 10.604 4.536 ( 0.000 0.000 -7.747) 7.747 4.536 ( 0.000 0.000 7.747) 7.747 5.022 ( 0.000 0.000 -4.644) 4.644 5.022 ( 0.000 0.000 4.644) 4.644 5.369 ( 0.000 0.000 -3.254) 3.254 5.369 ( 0.000 0.000 3.254) 3.254 5.464 ( 0.000 0.000 -14.060) 14.060 5.464 ( 0.000 0.000 14.060) 14.060 5.783 ( 0.000 0.000 -6.518) 6.518 5.783 ( 0.000 0.000 6.518) 6.518 5.807 ( 0.000 0.000 -3.731) 3.731 5.807 ( 0.000 0.000 3.731) 3.731 6.085 ( 0.000 0.000 -6.102) 6.102 6.085 ( 0.000 0.000 6.102) 6.102 6.368 ( 0.000 0.000 -4.960) 4.960 6.368 ( 0.000 0.000 4.960) 4.960 6.419 ( 0.000 0.000 -51.086) 51.086 6.419 ( 0.000 0.000 51.086) 51.086 6.488 ( 0.000 0.000 -0.313) 0.313 6.488 ( 0.000 0.000 0.313) 0.313 6.742 ( 0.000 0.000 -8.246) 8.246 6.742 ( 0.000 0.000 8.246) 8.246 7.115 ( 0.000 0.000 -7.771) 7.771 7.115 ( 0.000 0.000 7.771) 7.771 7.388 ( 0.000 0.000 -2.242) 2.242 7.388 ( 0.000 0.000 2.242) 2.242 7.706 ( 0.000 0.000 -18.517) 18.517 7.706 ( 0.000 0.000 18.517) 18.517 8.059 ( 0.000 0.000 -1.752) 1.752 8.059 ( 0.000 0.000 1.752) 1.752 8.201 ( 0.000 0.000 -6.951) 6.951 8.201 ( 0.000 0.000 6.951) 6.951 8.338 ( 0.000 0.000 -4.487) 4.487 8.338 ( 0.000 0.000 4.487) 4.487 8.594 ( 0.000 0.000 -1.890) 1.890 8.594 ( 0.000 0.000 1.890) 1.890 8.608 ( 0.000 0.000 -2.318) 2.318 8.608 ( 0.000 0.000 2.318) 2.318 8.905 ( 0.000 0.000 -0.829) 0.829 8.905 ( 0.000 0.000 0.829) 0.829 9.122 ( 0.000 0.000 -3.266) 3.266 9.122 ( 0.000 0.000 3.266) 3.266 9.334 ( 0.000 0.000 -4.884) 4.884 9.334 ( 0.000 0.000 4.884) 4.884 9.607 ( 0.000 0.000 -4.487) 4.487 9.607 ( 0.000 0.000 4.487) 4.487 9.914 ( 0.000 0.000 -1.262) 1.262 9.914 ( 0.000 0.000 1.262) 1.262 10.562 ( 0.000 0.000 -1.319) 1.319 10.562 ( 0.000 0.000 1.319) 1.319 11.473 ( 0.000 0.000 -6.453) 6.453 11.473 ( 0.000 0.000 6.453) 6.453 11.713 ( 0.000 0.000 -4.728) 4.728 11.713 ( 0.000 0.000 4.728) 4.728 11.931 ( 0.000 0.000 -8.064) 8.064 11.931 ( 0.000 0.000 8.064) 8.064 12.721 ( 0.000 0.000 -0.965) 0.965 12.721 ( 0.000 0.000 0.965) 0.965 13.328 ( 0.000 0.000 -3.011) 3.011 13.328 ( 0.000 0.000 3.011) 3.011 13.908 ( 0.000 0.000 -5.566) 5.566 13.908 ( 0.000 0.000 5.566) 5.566 13.908 ( 0.000 0.000 -5.641) 5.641 13.908 ( 0.000 0.000 5.641) 5.641 14.868 ( 0.000 0.000 -0.841) 0.841 14.868 ( 0.000 0.000 0.841) 0.841 15.402 ( 0.000 0.000 -6.067) 6.067 15.402 ( 0.000 0.000 6.067) 6.067 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -0.936 0.000 -9.134) 9.182 2.540 ( -0.936 0.000 9.134) 9.182 2.709 ( 5.120 0.000 -17.260) 18.003 2.709 ( 5.120 0.000 17.260) 18.003 3.223 ( 4.556 0.000 -4.833) 6.642 3.223 ( 4.556 0.000 4.833) 6.642 3.297 ( 1.135 0.000 -6.902) 6.994 3.297 ( 1.135 0.000 6.902) 6.994 3.497 ( 4.226 0.000 -4.516) 6.185 3.497 ( 4.226 0.000 4.516) 6.185 3.818 ( -6.797 0.000 -5.183) 8.547 3.818 ( -6.797 0.000 5.183) 8.547 3.969 ( -16.409 0.000 -10.641) 19.558 3.969 ( -16.409 0.000 10.641) 19.558 4.598 ( 4.630 0.000 -7.898) 9.155 4.598 ( 4.630 0.000 7.898) 9.155 4.698 ( 17.772 0.000 -15.373) 23.498 4.698 ( 17.772 0.000 15.373) 23.498 4.933 ( -4.599 0.000 -7.774) 9.032 4.933 ( -4.599 0.000 7.774) 9.032 5.293 ( -6.976 0.000 -6.704) 9.675 5.293 ( -6.976 0.000 6.704) 9.675 5.337 ( -11.281 0.000 -14.738) 18.559 5.337 ( -11.281 0.000 14.738) 18.559 5.839 ( 2.044 0.000 -3.131) 3.739 5.839 ( 2.044 0.000 3.131) 3.739 5.902 ( 8.653 0.000 -8.812) 12.350 5.902 ( 8.653 0.000 8.812) 12.350 6.154 ( 5.195 0.000 -9.973) 11.245 6.154 ( 5.195 0.000 9.973) 11.245 6.357 ( -0.802 0.000 -4.136) 4.213 6.357 ( -0.802 0.000 4.136) 4.213 6.380 ( -2.809 0.000 -42.159) 42.252 6.380 ( -2.809 0.000 42.159) 42.252 6.480 ( -0.696 0.000 -0.571) 0.900 6.480 ( -0.696 0.000 0.571) 0.900 6.760 ( 2.149 0.000 -10.755) 10.968 6.760 ( 2.149 0.000 10.755) 10.968 7.065 ( -5.213 0.000 -5.927) 7.893 7.065 ( -5.213 0.000 5.927) 7.893 7.435 ( 3.717 0.000 -2.080) 4.259 7.435 ( 3.717 0.000 2.080) 4.259 7.667 ( -1.904 0.000 -15.420) 15.537 7.667 ( -1.904 0.000 15.420) 15.537 8.031 ( -2.278 0.000 -2.601) 3.457 8.031 ( -2.278 0.000 2.601) 3.457 8.035 ( -10.671 0.000 -4.038) 11.410 8.035 ( -10.671 0.000 4.038) 11.410 8.457 ( 9.050 0.000 -5.190) 10.433 8.457 ( 9.050 0.000 5.190) 10.433 8.604 ( -0.300 0.000 -1.652) 1.679 8.604 ( -0.300 0.000 1.652) 1.679 8.706 ( 5.377 0.000 -1.999) 5.737 8.706 ( 5.377 0.000 1.999) 5.737 8.930 ( 2.097 0.000 -1.946) 2.861 8.930 ( 2.097 0.000 1.946) 2.861 9.107 ( -1.370 0.000 -2.865) 3.175 9.107 ( -1.370 0.000 2.865) 3.175 9.354 ( 2.473 0.000 -3.156) 4.010 9.354 ( 2.473 0.000 3.156) 4.010 9.587 ( -1.927 0.000 -3.970) 4.413 9.587 ( -1.927 0.000 3.970) 4.413 9.914 ( -0.005 0.000 -0.892) 0.892 9.914 ( -0.005 0.000 0.892) 0.892 10.540 ( -1.833 0.000 -0.984) 2.080 10.540 ( -1.833 0.000 0.984) 2.080 11.479 ( 0.571 0.000 -4.969) 5.002 11.479 ( 0.571 0.000 4.969) 5.002 11.729 ( 1.387 0.000 -3.931) 4.168 11.729 ( 1.387 0.000 3.931) 4.168 11.914 ( -1.454 0.000 -6.361) 6.525 11.914 ( -1.454 0.000 6.361) 6.525 12.725 ( 0.313 0.000 -0.641) 0.713 12.725 ( 0.313 0.000 0.641) 0.713 13.327 ( -0.082 0.000 -2.122) 2.123 13.327 ( -0.082 0.000 2.122) 2.123 13.908 ( 0.040 0.000 -3.928) 3.928 13.908 ( 0.040 0.000 3.928) 3.928 13.909 ( 0.060 0.000 -4.005) 4.005 13.909 ( 0.060 0.000 4.005) 4.005 14.897 ( 2.543 0.000 -0.973) 2.723 14.897 ( 2.543 0.000 0.973) 2.723 15.358 ( -3.652 0.000 -4.606) 5.878 15.358 ( -3.652 0.000 4.606) 5.878 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 3.281 ( -0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.624 ( -0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.919 ( -0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.001 ( -0.000 0.000 -0.000) 0.000 5.001 ( 0.000 0.000 -0.000) 0.000 5.096 ( -0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 6.016 ( -0.000 0.000 -0.000) 0.000 6.016 ( -0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 -0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 -0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 6.965 ( -0.000 0.000 -0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.659 ( -0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.906 ( -0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 8.000 ( -0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.584 ( -0.000 0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 8.960 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 10.515 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 11.749 ( -0.000 0.000 -0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.909 ( 0.000 0.000 0.000) 0.000 13.909 ( 0.000 0.000 0.000) 0.000 13.910 ( 0.000 0.000 0.000) 0.000 13.910 ( 0.000 0.000 0.000) 0.000 14.934 ( 0.000 0.000 0.000) 0.000 14.934 ( 0.000 0.000 0.000) 0.000 15.308 ( 0.000 0.000 0.000) 0.000 15.308 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.000 7.034 -13.383) 15.119 2.661 ( 0.000 7.034 13.383) 15.119 2.840 ( 0.000 20.043 -6.106) 20.952 2.840 ( 0.000 20.043 6.106) 20.952 3.222 ( 0.000 4.939 -1.442) 5.146 3.222 ( 0.000 4.939 1.442) 5.146 3.262 ( 0.000 -0.388 -5.149) 5.164 3.262 ( 0.000 -0.388 5.149) 5.164 3.599 ( 0.000 11.589 -6.495) 13.285 3.599 ( 0.000 11.589 6.495) 13.285 3.866 ( 0.000 -2.501 -2.299) 3.397 3.866 ( 0.000 -2.501 2.299) 3.397 4.242 ( 0.000 -2.946 -5.245) 6.015 4.242 ( 0.000 -2.946 5.245) 6.015 4.332 ( 0.000 -4.017 -13.806) 14.378 4.332 ( 0.000 -4.017 13.806) 14.378 4.616 ( 0.000 7.499 -7.441) 10.565 4.616 ( 0.000 7.499 7.441) 10.565 4.995 ( 0.000 -2.627 -5.101) 5.738 4.995 ( 0.000 -2.627 5.101) 5.738 5.238 ( 0.000 -12.233 -6.941) 14.065 5.238 ( 0.000 -12.233 6.941) 14.065 5.401 ( 0.000 -2.338 -10.124) 10.391 5.401 ( 0.000 -2.338 10.124) 10.391 5.789 ( 0.000 3.264 -1.495) 3.590 5.789 ( 0.000 3.264 1.495) 3.590 5.973 ( 0.000 8.245 -1.957) 8.474 5.973 ( 0.000 8.245 1.957) 8.474 6.169 ( 0.000 8.349 -15.053) 17.213 6.169 ( 0.000 8.349 15.053) 17.213 6.348 ( 0.000 -1.690 -4.976) 5.255 6.348 ( 0.000 -1.690 4.976) 5.255 6.422 ( 0.000 0.686 -46.322) 46.327 6.422 ( 0.000 0.686 46.322) 46.327 6.637 ( 0.000 10.939 -0.569) 10.954 6.637 ( 0.000 10.939 0.569) 10.954 6.740 ( 0.000 0.214 -9.417) 9.420 6.740 ( 0.000 0.214 9.417) 9.420 7.083 ( 0.000 0.538 -5.855) 5.879 7.083 ( 0.000 0.538 5.855) 5.879 7.405 ( 0.000 1.137 -2.831) 3.051 7.405 ( 0.000 1.137 2.831) 3.051 7.715 ( 0.000 0.687 -16.932) 16.946 7.715 ( 0.000 0.687 16.932) 16.946 8.028 ( 0.000 -3.864 -5.027) 6.340 8.028 ( 0.000 -3.864 5.027) 6.340 8.118 ( 0.000 -8.128 -4.088) 9.098 8.118 ( 0.000 -8.128 4.088) 9.098 8.329 ( 0.000 -0.407 -2.242) 2.279 8.329 ( 0.000 -0.407 2.242) 2.279 8.491 ( 0.000 -3.424 -0.035) 3.424 8.491 ( 0.000 -3.424 0.035) 3.424 8.654 ( 0.000 1.721 -2.501) 3.036 8.654 ( 0.000 1.721 2.501) 3.036 8.957 ( 0.000 0.135 -0.904) 0.914 8.957 ( 0.000 0.135 0.904) 0.914 9.107 ( 0.000 0.543 -0.270) 0.606 9.107 ( 0.000 0.543 0.270) 0.606 9.372 ( 0.000 3.055 -3.453) 4.611 9.372 ( 0.000 3.055 3.453) 4.611 9.583 ( 0.000 -2.402 -4.034) 4.695 9.583 ( 0.000 -2.402 4.034) 4.695 9.976 ( 0.000 6.352 -0.013) 6.352 9.976 ( 0.000 6.352 0.013) 6.352 10.572 ( 0.000 0.678 -1.384) 1.541 10.572 ( 0.000 0.678 1.384) 1.541 11.338 ( 0.000 -14.117 -6.838) 15.685 11.338 ( 0.000 -14.117 6.838) 15.685 11.685 ( 0.000 -2.569 -4.250) 4.966 11.685 ( 0.000 -2.569 4.250) 4.966 11.852 ( 0.000 -6.036 -6.690) 9.011 11.852 ( 0.000 -6.036 6.690) 9.011 12.736 ( 0.000 1.658 -0.243) 1.676 12.736 ( 0.000 1.658 0.243) 1.676 13.408 ( 0.000 5.927 -2.277) 6.350 13.408 ( 0.000 5.927 2.277) 6.350 13.838 ( 0.000 -5.193 -7.068) 8.771 13.838 ( 0.000 -5.193 7.068) 8.771 13.947 ( 0.000 3.188 -6.381) 7.133 13.947 ( 0.000 3.188 6.381) 7.133 14.850 ( 0.000 -1.653 -0.625) 1.767 14.850 ( 0.000 -1.653 0.625) 1.767 15.329 ( 0.000 -6.953 -5.402) 8.805 15.329 ( 0.000 -6.953 5.402) 8.805 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 4.413 7.982 -10.527) 13.929 2.715 ( 4.413 7.982 10.527) 13.929 2.825 ( -1.251 18.040 -2.946) 18.322 2.825 ( -1.251 18.040 2.946) 18.322 3.230 ( 0.917 -0.317 -2.392) 2.581 3.230 ( 0.917 -0.317 2.392) 2.581 3.325 ( 5.863 4.712 -5.776) 9.484 3.325 ( 5.863 4.712 5.776) 9.484 3.608 ( 1.123 9.649 -6.160) 11.503 3.608 ( 1.123 9.649 6.160) 11.503 3.793 ( -7.086 -2.671 -4.470) 8.793 3.793 ( -7.086 -2.671 4.470) 8.793 3.963 ( -13.854 0.013 -8.443) 16.224 3.963 ( -13.854 0.013 8.443) 16.224 4.589 ( 11.561 -3.271 -7.060) 13.935 4.589 ( 11.561 -3.271 7.060) 13.935 4.712 ( 7.431 4.457 -2.762) 9.095 4.712 ( 7.431 4.457 2.762) 9.095 4.951 ( -0.279 0.658 -7.362) 7.397 4.951 ( -0.279 0.658 7.362) 7.397 5.126 ( -8.273 -10.300 -8.240) 15.570 5.126 ( -8.273 -10.300 8.240) 15.570 5.401 ( -4.192 1.080 -10.525) 11.380 5.401 ( -4.192 1.080 10.525) 11.380 5.818 ( 4.276 0.958 -2.049) 4.837 5.818 ( 4.276 0.958 2.049) 4.837 5.988 ( -0.545 4.019 -3.897) 5.625 5.988 ( -0.545 4.019 3.897) 5.625 6.174 ( -0.208 3.032 -6.276) 6.974 6.174 ( -0.208 3.032 6.276) 6.974 6.352 ( 0.916 1.908 -14.824) 14.975 6.352 ( 0.916 1.908 14.824) 14.975 6.428 ( 1.673 2.154 -22.526) 22.690 6.428 ( 1.673 2.154 22.526) 22.690 6.619 ( -2.399 9.517 -1.934) 10.004 6.619 ( -2.399 9.517 1.934) 10.004 6.768 ( 3.426 2.028 -10.204) 10.953 6.768 ( 3.426 2.028 10.204) 10.953 7.030 ( -5.067 -0.433 -3.258) 6.039 7.030 ( -5.067 -0.433 3.258) 6.039 7.440 ( 3.377 0.394 -0.370) 3.420 7.440 ( 3.377 0.394 0.370) 3.420 7.692 ( -2.682 1.944 -14.665) 15.034 7.692 ( -2.682 1.944 14.665) 15.034 7.938 ( -5.584 -5.980 -5.927) 10.103 7.938 ( -5.584 -5.980 5.927) 10.103 8.080 ( -3.099 0.680 -1.706) 3.603 8.080 ( -3.099 0.680 1.706) 3.603 8.403 ( 6.194 -3.167 -3.750) 7.903 8.403 ( 6.194 -3.167 3.750) 7.903 8.558 ( 2.988 -5.814 -0.378) 6.548 8.558 ( 2.988 -5.814 0.378) 6.548 8.674 ( 2.678 0.751 -2.051) 3.456 8.674 ( 2.678 0.751 2.051) 3.456 8.939 ( -2.359 -2.945 -1.242) 3.972 8.939 ( -2.359 -2.945 1.242) 3.972 9.130 ( 2.097 2.705 -1.633) 3.793 9.130 ( 2.097 2.705 1.633) 3.793 9.382 ( 1.308 2.320 -1.812) 3.221 9.382 ( 1.308 2.320 1.812) 3.221 9.564 ( -1.798 -2.343 -3.552) 4.620 9.564 ( -1.798 -2.343 3.552) 4.620 9.988 ( 0.980 7.564 -0.220) 7.630 9.988 ( 0.980 7.564 0.220) 7.630 10.555 ( -1.372 1.151 -1.009) 2.056 10.555 ( -1.372 1.151 1.009) 2.056 11.338 ( 0.087 -14.802 -5.144) 15.670 11.338 ( 0.087 -14.802 5.144) 15.670 11.703 ( 1.594 -2.473 -4.000) 4.966 11.703 ( 1.594 -2.473 4.000) 4.966 11.834 ( -1.651 -6.026 -5.691) 8.451 11.834 ( -1.651 -6.026 5.691) 8.451 12.741 ( 0.422 1.791 -0.138) 1.845 12.741 ( 0.422 1.791 0.138) 1.845 13.409 ( 0.033 5.977 -1.616) 6.191 13.409 ( 0.033 5.977 1.616) 6.191 13.843 ( 0.418 -4.959 -5.427) 7.364 13.843 ( 0.418 -4.959 5.427) 7.364 13.942 ( -0.420 2.876 -4.920) 5.714 13.942 ( -0.420 2.876 4.920) 5.714 14.875 ( 2.179 -2.033 -0.795) 3.084 14.875 ( 2.179 -2.033 0.795) 3.084 15.290 ( -3.206 -6.473 -4.097) 8.304 15.290 ( -3.206 -6.473 4.097) 8.304 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 0.000 22.572 -0.000) 22.572 2.784 ( 0.000 22.572 0.000) 22.572 2.797 ( -0.000 2.636 -0.000) 2.636 2.797 ( 0.000 2.636 0.000) 2.636 3.253 ( 0.000 -1.692 0.000) 1.692 3.253 ( 0.000 -1.692 0.000) 1.692 3.416 ( 0.000 6.607 0.000) 6.607 3.416 ( 0.000 6.607 0.000) 6.607 3.622 ( -0.000 -0.742 0.000) 0.742 3.622 ( 0.000 -0.742 0.000) 0.742 3.703 ( 0.000 -0.052 0.000) 0.052 3.703 ( -0.000 -0.052 0.000) 0.052 3.779 ( -0.000 7.363 0.000) 7.363 3.779 ( 0.000 7.363 0.000) 7.363 4.703 ( 0.000 4.747 0.000) 4.747 4.703 ( 0.000 4.747 0.000) 4.747 4.827 ( 0.000 -6.475 -0.000) 6.475 4.827 ( -0.000 -6.475 0.000) 6.475 4.956 ( 0.000 -7.958 0.000) 7.958 4.956 ( 0.000 -7.958 0.000) 7.958 5.054 ( 0.000 2.543 0.000) 2.543 5.054 ( 0.000 2.543 0.000) 2.543 5.295 ( 0.000 5.238 0.000) 5.238 5.295 ( 0.000 5.238 0.000) 5.238 5.898 ( 0.000 3.464 0.000) 3.464 5.898 ( 0.000 3.464 0.000) 3.464 5.953 ( -0.000 -4.094 -0.000) 4.094 5.953 ( 0.000 -4.094 0.000) 4.094 6.170 ( 0.000 -1.093 -0.000) 1.093 6.170 ( 0.000 -1.093 0.000) 1.093 6.345 ( 0.000 4.917 -0.000) 4.917 6.345 ( 0.000 4.917 0.000) 4.917 6.522 ( 0.000 1.194 0.000) 1.194 6.522 ( -0.000 1.194 0.000) 1.194 6.541 ( -0.000 8.694 -0.000) 8.694 6.541 ( 0.000 8.694 -0.000) 8.694 6.842 ( 0.000 6.508 -0.000) 6.508 6.842 ( 0.000 6.508 0.000) 6.508 6.936 ( -0.000 -1.859 -0.000) 1.859 6.936 ( 0.000 -1.859 0.000) 1.859 7.512 ( 0.000 1.480 0.000) 1.480 7.512 ( 0.000 1.480 0.000) 1.480 7.617 ( 0.000 -2.471 0.000) 2.471 7.617 ( 0.000 -2.471 0.000) 2.471 7.897 ( -0.000 -0.577 0.000) 0.577 7.897 ( 0.000 -0.577 0.000) 0.577 8.033 ( -0.000 1.809 0.000) 1.809 8.033 ( 0.000 1.809 0.000) 1.809 8.505 ( -0.000 -6.266 0.000) 6.266 8.505 ( 0.000 -6.266 0.000) 6.266 8.551 ( 0.000 -3.112 0.000) 3.112 8.551 ( 0.000 -3.112 0.000) 3.112 8.734 ( 0.000 -0.314 0.000) 0.314 8.734 ( 0.000 -0.314 0.000) 0.314 8.891 ( 0.000 -6.027 0.000) 6.027 8.891 ( 0.000 -6.027 0.000) 6.027 9.157 ( 0.000 4.072 0.000) 4.072 9.157 ( 0.000 4.072 0.000) 4.072 9.411 ( 0.000 0.724 0.000) 0.724 9.411 ( 0.000 0.724 0.000) 0.724 9.533 ( 0.000 -2.020 0.000) 2.020 9.533 ( 0.000 -2.020 0.000) 2.020 10.001 ( 0.000 8.834 0.000) 8.834 10.001 ( 0.000 8.834 0.000) 8.834 10.537 ( 0.000 1.642 0.000) 1.642 10.537 ( 0.000 1.642 0.000) 1.642 11.340 ( 0.000 -15.522 0.000) 15.522 11.340 ( 0.000 -15.522 0.000) 15.522 11.728 ( -0.000 -1.957 -0.000) 1.957 11.728 ( 0.000 -1.957 0.000) 1.957 11.808 ( 0.000 -6.407 0.000) 6.407 11.808 ( 0.000 -6.407 0.000) 6.407 12.747 ( 0.000 1.927 0.000) 1.927 12.747 ( 0.000 1.927 0.000) 1.927 13.409 ( 0.000 6.021 0.000) 6.021 13.409 ( 0.000 6.021 0.000) 6.021 13.849 ( 0.000 -4.697 0.000) 4.697 13.849 ( 0.000 -4.697 0.000) 4.697 13.936 ( 0.000 2.536 0.000) 2.536 13.936 ( 0.000 2.536 0.000) 2.536 14.906 ( 0.000 -2.508 0.000) 2.508 14.906 ( -0.000 -2.508 0.000) 2.508 15.246 ( -0.000 -5.895 0.000) 5.895 15.246 ( 0.000 -5.895 0.000) 5.895 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 0.000 10.127 -13.705) 17.041 2.836 ( 0.000 10.127 13.705) 17.041 3.105 ( 0.000 2.771 -5.288) 5.970 3.105 ( 0.000 2.771 5.288) 5.970 3.327 ( 0.000 5.317 -9.133) 10.568 3.327 ( 0.000 5.317 9.133) 10.568 3.450 ( 0.000 17.453 -0.171) 17.454 3.450 ( 0.000 17.453 0.171) 17.454 3.755 ( 0.000 -2.642 -0.876) 2.784 3.755 ( 0.000 -2.642 0.876) 2.784 3.919 ( 0.000 13.268 -0.443) 13.276 3.919 ( 0.000 13.268 0.443) 13.276 4.112 ( 0.000 -7.004 -9.198) 11.561 4.112 ( 0.000 -7.004 9.198) 11.561 4.335 ( 0.000 5.015 -8.637) 9.987 4.335 ( 0.000 5.015 8.637) 9.987 4.781 ( 0.000 5.366 -5.334) 7.567 4.781 ( 0.000 5.366 5.334) 7.567 4.909 ( 0.000 -5.706 -5.458) 7.896 4.909 ( 0.000 -5.706 5.458) 7.896 5.044 ( 0.000 -3.762 -2.528) 4.532 5.044 ( 0.000 -3.762 2.528) 4.532 5.324 ( 0.000 -6.548 -9.479) 11.521 5.324 ( 0.000 -6.548 9.479) 11.521 5.879 ( 0.000 5.044 -1.791) 5.353 5.879 ( 0.000 5.044 1.791) 5.353 6.067 ( 0.000 0.965 -3.597) 3.724 6.067 ( 0.000 0.965 3.597) 3.724 6.292 ( 0.000 -2.024 -18.761) 18.869 6.292 ( 0.000 -2.024 18.761) 18.869 6.368 ( 0.000 8.714 -5.060) 10.076 6.368 ( 0.000 8.714 5.060) 10.076 6.476 ( 0.000 5.117 -27.537) 28.009 6.476 ( 0.000 5.117 27.537) 28.009 6.711 ( 0.000 -2.208 -4.786) 5.271 6.711 ( 0.000 -2.208 4.786) 5.271 6.784 ( 0.000 4.328 -10.458) 11.318 6.784 ( 0.000 4.328 10.458) 11.318 7.291 ( 0.000 12.522 -4.579) 13.333 7.291 ( 0.000 12.522 4.579) 13.333 7.400 ( 0.000 1.418 -0.948) 1.706 7.400 ( 0.000 1.418 0.948) 1.706 7.713 ( 0.000 -1.015 -9.705) 9.758 7.713 ( 0.000 -1.015 9.705) 9.758 7.835 ( 0.000 -12.256 -13.609) 18.315 7.835 ( 0.000 -12.256 13.609) 18.315 8.033 ( 0.000 0.841 -3.285) 3.391 8.033 ( 0.000 0.841 3.285) 3.391 8.357 ( 0.000 3.060 -1.930) 3.618 8.357 ( 0.000 3.060 1.930) 3.618 8.491 ( 0.000 2.166 -0.753) 2.293 8.491 ( 0.000 2.166 0.753) 2.293 8.671 ( 0.000 0.333 -2.013) 2.040 8.671 ( 0.000 0.333 2.013) 2.040 8.859 ( 0.000 -8.384 -1.806) 8.576 8.859 ( 0.000 -8.384 1.806) 8.576 9.141 ( 0.000 1.461 -5.802) 5.983 9.141 ( 0.000 1.461 5.802) 5.983 9.452 ( 0.000 5.615 -0.406) 5.629 9.452 ( 0.000 5.615 0.406) 5.629 9.515 ( 0.000 -4.068 -3.310) 5.244 9.515 ( 0.000 -4.068 3.310) 5.244 10.136 ( 0.000 7.326 -5.892) 9.402 10.136 ( 0.000 7.326 5.892) 9.402 10.565 ( 0.000 -2.318 -2.608) 3.490 10.565 ( 0.000 -2.318 2.608) 3.490 10.945 ( 0.000 -22.154 -7.891) 23.517 10.945 ( 0.000 -22.154 7.891) 23.517 11.625 ( 0.000 -3.019 -2.582) 3.973 11.625 ( 0.000 -3.019 2.582) 3.973 11.750 ( 0.000 -3.987 -3.778) 5.492 11.750 ( 0.000 -3.987 3.778) 5.492 12.797 ( 0.000 4.737 -1.119) 4.868 12.797 ( 0.000 4.737 1.119) 4.868 13.416 ( 0.000 -7.245 -0.201) 7.248 13.416 ( 0.000 -7.245 0.201) 7.248 13.810 ( 0.000 3.972 -6.194) 7.358 13.810 ( 0.000 3.972 6.194) 7.358 14.025 ( 0.000 4.258 -5.954) 7.320 14.025 ( 0.000 4.258 5.954) 7.320 14.816 ( 0.000 -1.248 -0.010) 1.248 14.816 ( 0.000 -1.248 0.010) 1.248 15.155 ( 0.000 -9.648 -3.962) 10.430 15.155 ( 0.000 -9.648 3.962) 10.430 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 1.734 7.899 -12.021) 14.488 2.857 ( 1.734 7.899 12.021) 14.488 3.114 ( 0.962 2.670 -6.204) 6.822 3.114 ( 0.962 2.670 6.204) 6.822 3.319 ( -0.265 8.841 -6.798) 11.155 3.319 ( -0.265 8.841 6.798) 11.155 3.494 ( 3.880 13.107 -5.280) 14.654 3.494 ( 3.880 13.107 5.280) 14.654 3.720 ( -6.510 -3.603 -2.564) 7.870 3.720 ( -6.510 -3.603 2.564) 7.870 3.783 ( -7.184 4.546 -11.114) 13.993 3.783 ( -7.184 4.546 11.114) 13.993 4.056 ( -2.066 12.843 -5.470) 14.112 4.056 ( -2.066 12.843 5.470) 14.112 4.506 ( 11.027 -3.275 -7.742) 13.866 4.506 ( 11.027 -3.275 7.742) 13.866 4.801 ( -1.662 -1.829 -5.731) 6.241 4.801 ( -1.662 -1.829 5.731) 6.241 4.929 ( 2.559 -0.013 -2.251) 3.409 4.929 ( 2.559 -0.013 2.251) 3.409 4.990 ( -0.748 -1.095 -8.246) 8.352 4.990 ( -0.748 -1.095 8.246) 8.352 5.358 ( 0.222 -5.697 -12.065) 13.344 5.358 ( 0.222 -5.697 12.065) 13.344 5.880 ( 1.294 4.596 -0.768) 4.836 5.880 ( 1.294 4.596 0.768) 4.836 6.034 ( -3.218 0.666 -4.875) 5.879 6.034 ( -3.218 0.666 4.875) 5.879 6.243 ( -3.774 3.352 -14.458) 15.313 6.243 ( -3.774 3.352 14.458) 15.313 6.412 ( 4.513 2.627 -7.204) 8.898 6.412 ( 4.513 2.627 7.204) 8.898 6.485 ( 0.023 4.524 -21.668) 22.135 6.485 ( 0.023 4.524 21.668) 22.135 6.678 ( -4.167 -0.661 -5.041) 6.574 6.678 ( -4.167 -0.661 5.041) 6.574 6.834 ( 5.528 2.237 -7.870) 9.874 6.834 ( 5.528 2.237 7.870) 9.874 7.179 ( -7.581 10.868 -7.390) 15.172 7.179 ( -7.581 10.868 7.390) 15.172 7.446 ( 2.595 0.451 -5.768) 6.341 7.446 ( 2.595 0.451 5.768) 6.341 7.687 ( -4.266 -2.990 -8.879) 10.295 7.687 ( -4.266 -2.990 8.879) 10.295 7.839 ( 3.663 -1.664 -4.206) 5.820 7.839 ( 3.663 -1.664 4.206) 5.820 8.086 ( 1.418 1.609 -3.473) 4.082 8.086 ( 1.418 1.609 3.473) 4.082 8.380 ( 1.804 0.449 -1.406) 2.331 8.380 ( 1.804 0.449 1.406) 2.331 8.480 ( 0.625 -1.042 -1.524) 1.949 8.480 ( 0.625 -1.042 1.524) 1.949 8.680 ( 0.635 -0.609 -2.619) 2.763 8.680 ( 0.635 -0.609 2.619) 2.763 8.826 ( -3.231 -7.484 -2.415) 8.502 8.826 ( -3.231 -7.484 2.415) 8.502 9.170 ( 2.414 1.209 -5.016) 5.696 9.170 ( 2.414 1.209 5.016) 5.696 9.448 ( -0.075 4.703 -0.966) 4.802 9.448 ( -0.075 4.703 0.966) 4.802 9.498 ( -1.613 -3.540 -3.010) 4.918 9.498 ( -1.613 -3.540 3.010) 4.918 10.183 ( 3.841 9.811 -5.042) 11.680 10.183 ( 3.841 9.811 5.042) 11.680 10.551 ( -1.208 -3.172 -2.335) 4.120 10.551 ( -1.208 -3.172 2.335) 4.120 10.926 ( -1.481 -23.099 -6.020) 23.917 10.926 ( -1.481 -23.099 6.020) 23.917 11.644 ( 1.756 -3.021 -2.803) 4.479 11.644 ( 1.756 -3.021 2.803) 4.479 11.733 ( -1.557 -3.872 -3.608) 5.517 11.733 ( -1.557 -3.872 3.608) 5.517 12.807 ( 0.741 5.030 -0.846) 5.155 12.807 ( 0.741 5.030 0.846) 5.155 13.413 ( -0.247 -7.561 -0.218) 7.568 13.413 ( -0.247 -7.561 0.218) 7.568 13.825 ( 1.246 4.591 -4.902) 6.831 13.825 ( 1.246 4.591 4.902) 6.831 14.011 ( -1.198 3.670 -4.793) 6.154 14.011 ( -1.198 3.670 4.793) 6.154 14.833 ( 1.466 -1.646 -0.464) 2.252 14.833 ( 1.466 -1.646 0.464) 2.252 15.127 ( -2.293 -9.115 -3.010) 9.870 15.127 ( -2.293 -9.115 3.010) 9.870 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 0.000 5.491 0.000) 5.491 2.880 ( 0.000 5.491 0.000) 5.491 3.132 ( -0.000 2.554 0.000) 2.554 3.132 ( 0.000 2.554 0.000) 2.554 3.327 ( -0.000 12.528 0.000) 12.528 3.327 ( 0.000 12.528 0.000) 12.528 3.558 ( -0.000 9.323 -0.000) 9.323 3.558 ( 0.000 9.323 0.000) 9.323 3.578 ( 0.000 -3.305 0.000) 3.305 3.578 ( 0.000 -3.305 0.000) 3.305 3.728 ( 0.000 2.406 0.000) 2.406 3.728 ( 0.000 2.406 0.000) 2.406 4.034 ( 0.000 18.302 0.000) 18.302 4.034 ( 0.000 18.302 0.000) 18.302 4.696 ( -0.000 -5.762 0.000) 5.762 4.696 ( 0.000 -5.762 0.000) 5.762 4.711 ( -0.000 -6.038 -0.000) 6.038 4.711 ( 0.000 -6.038 0.000) 6.038 4.896 ( 0.000 2.670 -0.000) 2.670 4.896 ( 0.000 2.670 0.000) 2.670 5.083 ( 0.000 0.605 -0.000) 0.605 5.083 ( 0.000 0.605 0.000) 0.605 5.324 ( 0.000 -2.972 -0.000) 2.972 5.324 ( 0.000 -2.972 0.000) 2.972 5.923 ( 0.000 1.375 -0.000) 1.375 5.923 ( 0.000 1.375 0.000) 1.375 5.972 ( 0.000 2.629 0.000) 2.629 5.972 ( -0.000 2.629 0.000) 2.629 6.201 ( 0.000 5.226 -0.000) 5.226 6.201 ( 0.000 5.226 0.000) 5.226 6.476 ( -0.000 6.361 -0.000) 6.361 6.476 ( -0.000 6.361 0.000) 6.361 6.492 ( 0.000 -1.395 -0.000) 1.395 6.492 ( 0.000 -1.395 0.000) 1.395 6.604 ( 0.000 -1.882 0.000) 1.882 6.604 ( 0.000 -1.882 0.000) 1.882 6.926 ( 0.000 0.060 0.000) 0.060 6.926 ( 0.000 0.060 0.000) 0.060 7.072 ( -0.000 11.902 -0.000) 11.902 7.072 ( 0.000 11.902 0.000) 11.902 7.486 ( 0.000 -3.373 0.000) 3.373 7.486 ( 0.000 -3.373 0.000) 3.373 7.615 ( -0.000 1.928 -0.000) 1.928 7.615 ( 0.000 1.928 0.000) 1.928 7.916 ( -0.000 3.224 0.000) 3.224 7.916 ( 0.000 3.224 0.000) 3.224 8.059 ( -0.000 2.233 0.000) 2.233 8.059 ( 0.000 2.233 0.000) 2.233 8.430 ( 0.000 -1.446 0.000) 1.446 8.430 ( 0.000 -1.446 0.000) 1.446 8.480 ( 0.000 -3.492 -0.000) 3.492 8.480 ( 0.000 -3.492 0.000) 3.492 8.705 ( 0.000 -2.906 0.000) 2.906 8.705 ( 0.000 -2.906 0.000) 2.906 8.764 ( -0.000 -5.850 0.000) 5.850 8.764 ( 0.000 -5.850 0.000) 5.850 9.202 ( 0.000 1.229 0.000) 1.229 9.202 ( 0.000 1.229 0.000) 1.229 9.456 ( 0.000 5.090 0.000) 5.090 9.456 ( -0.000 5.090 0.000) 5.090 9.468 ( 0.000 -4.554 -0.000) 4.554 9.468 ( 0.000 -4.554 -0.000) 4.554 10.235 ( 0.000 13.220 0.000) 13.220 10.235 ( 0.000 13.220 0.000) 13.220 10.533 ( 0.000 -4.877 0.000) 4.877 10.533 ( 0.000 -4.877 0.000) 4.877 10.907 ( 0.000 -24.171 -0.000) 24.171 10.907 ( 0.000 -24.171 0.000) 24.171 11.680 ( -0.000 -2.577 -0.000) 2.577 11.680 ( 0.000 -2.577 -0.000) 2.577 11.700 ( -0.000 -4.204 0.000) 4.204 11.700 ( 0.000 -4.204 0.000) 4.204 12.816 ( 0.000 5.341 0.000) 5.341 12.816 ( 0.000 5.341 0.000) 5.341 13.410 ( 0.000 -7.888 0.000) 7.888 13.410 ( 0.000 -7.888 0.000) 7.888 13.842 ( 0.000 5.488 0.000) 5.488 13.842 ( 0.000 5.488 0.000) 5.488 13.994 ( 0.000 2.794 0.000) 2.794 13.994 ( 0.000 2.794 0.000) 2.794 14.854 ( 0.000 -2.092 0.000) 2.092 14.854 ( -0.000 -2.092 0.000) 2.092 15.096 ( -0.000 -8.528 0.000) 8.528 15.096 ( 0.000 -8.528 0.000) 8.528 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 0.000 5.706 -5.575) 7.978 3.011 ( 0.000 5.706 5.575) 7.978 3.119 ( 0.000 -0.051 -1.491) 1.492 3.119 ( 0.000 -0.051 1.491) 1.492 3.441 ( 0.000 5.949 -6.623) 8.903 3.441 ( 0.000 5.949 6.623) 8.903 3.607 ( 0.000 -1.996 -3.630) 4.143 3.607 ( 0.000 -1.996 3.630) 4.143 3.725 ( 0.000 0.649 -2.701) 2.778 3.725 ( 0.000 0.649 2.701) 2.778 3.898 ( 0.000 -5.299 -5.962) 7.977 3.898 ( 0.000 -5.299 5.962) 7.977 4.265 ( 0.000 9.936 -4.283) 10.820 4.265 ( 0.000 9.936 4.283) 10.820 4.548 ( 0.000 9.956 -0.679) 9.980 4.548 ( 0.000 9.956 0.679) 9.980 4.710 ( 0.000 -0.408 -0.452) 0.608 4.710 ( 0.000 -0.408 0.452) 0.608 4.900 ( 0.000 1.447 -2.049) 2.508 4.900 ( 0.000 1.447 2.049) 2.508 5.048 ( 0.000 -5.358 -0.403) 5.373 5.048 ( 0.000 -5.358 0.403) 5.373 5.149 ( 0.000 -5.226 -4.863) 7.138 5.149 ( 0.000 -5.226 4.863) 7.138 5.965 ( 0.000 3.194 -0.483) 3.231 5.965 ( 0.000 3.194 0.483) 3.231 6.044 ( 0.000 -2.058 -5.589) 5.956 6.044 ( 0.000 -2.058 5.589) 5.956 6.232 ( 0.000 -2.134 -4.953) 5.393 6.232 ( 0.000 -2.134 4.953) 5.393 6.539 ( 0.000 3.363 -1.421) 3.651 6.539 ( 0.000 3.363 1.421) 3.651 6.579 ( 0.000 3.766 -1.516) 4.060 6.579 ( 0.000 3.766 1.516) 4.060 6.722 ( 0.000 8.296 -14.424) 16.640 6.722 ( 0.000 8.296 14.424) 16.640 6.867 ( 0.000 2.308 -4.290) 4.871 6.867 ( 0.000 2.308 4.290) 4.871 7.107 ( 0.000 -15.819 -3.819) 16.273 7.107 ( 0.000 -15.819 3.819) 16.273 7.621 ( 0.000 1.526 -2.717) 3.117 7.621 ( 0.000 1.526 2.717) 3.117 7.690 ( 0.000 -2.590 -1.272) 2.886 7.690 ( 0.000 -2.590 1.272) 2.886 7.797 ( 0.000 14.760 -5.657) 15.807 7.797 ( 0.000 14.760 5.657) 15.807 8.040 ( 0.000 -4.131 -5.697) 7.037 8.040 ( 0.000 -4.131 5.697) 7.037 8.426 ( 0.000 4.122 -3.068) 5.139 8.426 ( 0.000 4.122 3.068) 5.139 8.536 ( 0.000 0.996 -0.027) 0.997 8.536 ( 0.000 0.996 0.027) 0.997 8.673 ( 0.000 -8.290 -0.383) 8.299 8.673 ( 0.000 -8.290 0.383) 8.299 8.706 ( 0.000 3.047 -0.848) 3.163 8.706 ( 0.000 3.047 0.848) 3.163 9.161 ( 0.000 0.696 -3.933) 3.995 9.161 ( 0.000 0.696 3.933) 3.995 9.431 ( 0.000 -3.036 -1.924) 3.595 9.431 ( 0.000 -3.036 1.924) 3.595 9.651 ( 0.000 14.996 -2.878) 15.269 9.651 ( 0.000 14.996 2.878) 15.269 10.046 ( 0.000 -18.980 -9.285) 21.130 10.046 ( 0.000 -18.980 9.285) 21.130 10.531 ( 0.000 3.339 -7.251) 7.983 10.531 ( 0.000 3.339 7.251) 7.983 10.653 ( 0.000 -7.305 -0.758) 7.344 10.653 ( 0.000 -7.305 0.758) 7.344 11.580 ( 0.000 -1.293 -0.817) 1.530 11.580 ( 0.000 -1.293 0.817) 1.530 11.695 ( 0.000 -1.412 -1.160) 1.827 11.695 ( 0.000 -1.412 1.160) 1.827 12.919 ( 0.000 6.576 -1.623) 6.773 12.919 ( 0.000 6.576 1.623) 6.773 13.219 ( 0.000 -9.351 -1.687) 9.502 13.219 ( 0.000 -9.351 1.687) 9.502 13.901 ( 0.000 3.066 -2.324) 3.847 13.901 ( 0.000 3.066 2.324) 3.847 14.096 ( 0.000 2.251 -2.633) 3.464 14.096 ( 0.000 2.251 2.633) 3.464 14.815 ( 0.000 1.096 -0.634) 1.266 14.815 ( 0.000 1.096 0.634) 1.266 14.985 ( 0.000 -6.126 -2.036) 6.456 14.985 ( 0.000 -6.126 2.036) 6.456 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -0.513 5.973 -5.707) 8.277 3.006 ( -0.513 5.973 5.707) 8.277 3.105 ( -0.915 -1.846 -3.658) 4.199 3.105 ( -0.915 -1.846 3.658) 4.199 3.427 ( -0.062 3.220 -3.771) 4.959 3.427 ( -0.062 3.220 3.771) 4.959 3.584 ( -2.685 -2.775 -2.936) 4.851 3.584 ( -2.685 -2.775 2.936) 4.851 3.753 ( 1.340 3.273 -2.122) 4.124 3.753 ( 1.340 3.273 2.122) 4.124 3.824 ( -4.723 1.252 -6.047) 7.774 3.824 ( -4.723 1.252 6.047) 7.774 4.342 ( 5.372 8.724 -4.896) 11.355 4.342 ( 5.372 8.724 4.896) 11.355 4.530 ( 0.532 2.874 -0.757) 3.020 4.530 ( 0.532 2.874 0.757) 3.020 4.725 ( -0.775 4.079 -3.521) 5.444 4.725 ( -0.775 4.079 3.521) 5.444 4.922 ( -0.179 -2.503 -9.792) 10.108 4.922 ( -0.179 -2.503 9.792) 10.108 5.026 ( 2.489 -0.454 -9.891) 10.210 5.026 ( 2.489 -0.454 9.891) 10.210 5.195 ( 1.578 -7.473 -7.427) 10.653 5.195 ( 1.578 -7.473 7.427) 10.653 5.971 ( 0.032 3.781 -2.025) 4.289 5.971 ( 0.032 3.781 2.025) 4.289 6.021 ( -1.966 -1.481 -2.733) 3.678 6.021 ( -1.966 -1.481 2.733) 3.678 6.274 ( 4.751 -0.261 -8.431) 9.681 6.274 ( 4.751 -0.261 8.431) 9.681 6.488 ( -2.662 4.865 -2.119) 5.937 6.488 ( -2.662 4.865 2.119) 5.937 6.553 ( -1.361 -0.178 -3.276) 3.552 6.553 ( -1.361 -0.178 3.276) 3.552 6.708 ( -6.831 4.804 -15.741) 17.819 6.708 ( -6.831 4.804 15.741) 17.819 6.872 ( 4.306 2.162 -6.947) 8.455 6.872 ( 4.306 2.162 6.947) 8.455 7.121 ( -0.627 -11.317 -6.629) 13.130 7.121 ( -0.627 -11.317 6.629) 13.130 7.539 ( -3.327 3.689 -2.726) 5.667 7.539 ( -3.327 3.689 2.726) 5.667 7.668 ( -1.617 1.231 -3.276) 3.855 7.668 ( -1.617 1.231 3.276) 3.855 7.896 ( 6.634 6.779 -1.429) 9.592 7.896 ( 6.634 6.779 1.429) 9.592 8.117 ( 4.976 -1.252 -3.565) 6.248 8.117 ( 4.976 -1.252 3.565) 6.248 8.399 ( -2.686 1.428 -0.945) 3.186 8.399 ( -2.686 1.428 0.945) 3.186 8.495 ( -2.714 1.303 -1.134) 3.217 8.495 ( -2.714 1.303 1.134) 3.217 8.649 ( -1.144 -4.128 -2.207) 4.819 8.649 ( -1.144 -4.128 2.207) 4.819 8.702 ( -1.181 -1.356 -2.518) 3.094 8.702 ( -1.181 -1.356 2.518) 3.094 9.199 ( 3.294 1.742 -3.430) 5.064 9.199 ( 3.294 1.742 3.430) 5.064 9.403 ( -2.556 -3.624 -1.967) 4.851 9.403 ( -2.556 -3.624 1.967) 4.851 9.660 ( 0.794 16.445 -2.285) 16.622 9.660 ( 0.794 16.445 2.285) 16.622 10.096 ( 4.179 -22.575 -7.993) 24.310 10.096 ( 4.179 -22.575 7.993) 24.310 10.507 ( -2.163 5.614 -6.812) 9.088 10.507 ( -2.163 5.614 6.812) 9.088 10.642 ( -0.834 -6.928 -0.381) 6.988 10.642 ( -0.834 -6.928 0.381) 6.988 11.599 ( 1.733 -1.305 -0.912) 2.353 11.599 ( 1.733 -1.305 0.912) 2.353 11.680 ( -1.479 -1.407 -1.148) 2.342 11.680 ( -1.479 -1.407 1.148) 2.342 12.941 ( 1.753 7.756 -1.340) 8.064 12.941 ( 1.753 7.756 1.340) 8.064 13.204 ( -1.233 -10.514 -1.388) 10.677 13.204 ( -1.233 -10.514 1.388) 10.677 13.927 ( 2.376 3.436 -2.198) 4.720 13.927 ( 2.376 3.436 2.198) 4.720 14.071 ( -2.382 1.843 -2.448) 3.882 14.071 ( -2.382 1.843 2.448) 3.882 14.828 ( 1.186 1.185 -0.638) 1.794 14.828 ( 1.186 1.185 0.638) 1.794 14.964 ( -1.838 -6.151 -1.641) 6.626 14.964 ( -1.838 -6.151 1.641) 6.626 ======================= Grid point 174 (60/60) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 0.000 5.845 0.000) 5.845 2.998 ( 0.000 5.845 0.000) 5.845 3.095 ( -0.000 -3.720 0.000) 3.720 3.095 ( 0.000 -3.720 0.000) 3.720 3.460 ( -0.000 2.803 0.000) 2.803 3.460 ( 0.000 2.803 0.000) 2.803 3.512 ( -0.000 -2.983 0.000) 2.983 3.512 ( 0.000 -2.983 0.000) 2.983 3.760 ( -0.000 6.229 -0.000) 6.229 3.760 ( 0.000 6.229 0.000) 6.229 3.782 ( 0.000 2.216 0.000) 2.216 3.782 ( 0.000 2.216 0.000) 2.216 4.401 ( 0.000 13.066 0.000) 13.066 4.401 ( 0.000 13.066 0.000) 13.066 4.567 ( 0.000 -7.282 0.000) 7.282 4.567 ( 0.000 -7.282 0.000) 7.282 4.693 ( 0.000 9.162 0.000) 9.162 4.693 ( 0.000 9.162 0.000) 9.162 4.904 ( 0.000 -4.936 -0.000) 4.936 4.904 ( 0.000 -4.936 -0.000) 4.936 5.097 ( -0.000 1.552 0.000) 1.552 5.097 ( 0.000 1.552 0.000) 1.552 5.190 ( 0.000 -8.299 -0.000) 8.299 5.190 ( 0.000 -8.299 0.000) 8.299 5.971 ( 0.000 2.105 -0.000) 2.105 5.971 ( 0.000 2.105 0.000) 2.105 5.990 ( 0.000 -0.109 0.000) 0.109 5.990 ( -0.000 -0.109 0.000) 0.109 6.358 ( 0.000 9.039 0.000) 9.039 6.358 ( -0.000 9.039 0.000) 9.039 6.509 ( -0.000 -5.015 -0.000) 5.015 6.509 ( -0.000 -5.015 0.000) 5.015 6.519 ( 0.000 3.428 -0.000) 3.428 6.519 ( 0.000 3.428 0.000) 3.428 6.566 ( 0.000 -0.346 0.000) 0.346 6.566 ( 0.000 -0.346 0.000) 0.346 6.940 ( 0.000 3.431 0.000) 3.431 6.940 ( 0.000 3.431 0.000) 3.431 7.088 ( -0.000 -8.855 -0.000) 8.855 7.088 ( 0.000 -8.855 0.000) 8.855 7.535 ( -0.000 7.163 0.000) 7.163 7.535 ( 0.000 7.163 0.000) 7.163 7.627 ( -0.000 -1.676 -0.000) 1.676 7.627 ( 0.000 -1.676 0.000) 1.676 8.022 ( -0.000 6.888 -0.000) 6.888 8.022 ( 0.000 6.888 -0.000) 6.888 8.115 ( -0.000 0.131 0.000) 0.131 8.115 ( 0.000 0.131 0.000) 0.131 8.414 ( 0.000 -0.381 0.000) 0.381 8.414 ( 0.000 -0.381 0.000) 0.381 8.427 ( -0.000 -1.699 -0.000) 1.699 8.427 ( 0.000 -1.699 0.000) 1.699 8.648 ( 0.000 -1.165 0.000) 1.165 8.648 ( 0.000 -1.165 0.000) 1.165 8.674 ( 0.000 -3.149 0.000) 3.149 8.674 ( 0.000 -3.149 0.000) 3.149 9.251 ( 0.000 4.271 0.000) 4.271 9.251 ( 0.000 4.271 0.000) 4.271 9.360 ( 0.000 -5.987 0.000) 5.987 9.360 ( 0.000 -5.987 0.000) 5.987 9.671 ( 0.000 17.801 0.000) 17.801 9.671 ( 0.000 17.801 0.000) 17.801 10.154 ( 0.000 -28.237 0.000) 28.237 10.154 ( 0.000 -28.237 0.000) 28.237 10.474 ( 0.000 10.130 -0.000) 10.130 10.474 ( 0.000 10.130 0.000) 10.130 10.632 ( 0.000 -6.620 0.000) 6.620 10.632 ( 0.000 -6.620 0.000) 6.620 11.640 ( -0.000 -1.179 -0.000) 1.179 11.640 ( 0.000 -1.179 -0.000) 1.179 11.642 ( -0.000 -1.543 0.000) 1.543 11.642 ( 0.000 -1.543 0.000) 1.543 12.965 ( 0.000 9.581 0.000) 9.581 12.965 ( 0.000 9.581 0.000) 9.581 13.187 ( 0.000 -12.319 0.000) 12.319 13.187 ( 0.000 -12.319 0.000) 12.319 13.971 ( -0.000 5.390 0.000) 5.390 13.971 ( 0.000 5.390 0.000) 5.390 14.026 ( -0.000 -0.155 0.000) 0.155 14.026 ( 0.000 -0.155 0.000) 0.155 14.848 ( 0.000 1.906 0.000) 1.906 14.848 ( -0.000 1.906 0.000) 1.906 14.937 ( -0.000 -6.801 0.000) 6.801 14.937 ( 0.000 -6.801 0.000) 6.801 =================== 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 3/18816 10.0 2575.891 3396.527 1814.649 0.000 0.000 0.000 3/18816 20.0 978.064 1081.904 1067.696 0.000 0.000 0.000 3/18816 30.0 381.008 468.821 499.654 0.000 0.000 0.000 3/18816 40.0 175.069 226.826 250.047 0.000 0.000 0.000 3/18816 50.0 92.511 122.464 138.303 0.000 0.000 0.000 3/18816 60.0 55.433 74.265 85.479 0.000 0.000 0.000 3/18816 70.0 36.825 49.758 58.095 0.000 0.000 0.000 3/18816 80.0 26.503 36.054 42.534 0.000 0.000 0.000 3/18816 90.0 20.271 27.731 32.957 0.000 0.000 0.000 3/18816 100.0 16.235 22.316 26.659 0.000 0.000 0.000 3/18816 110.0 13.467 18.590 22.286 0.000 0.000 0.000 3/18816 120.0 11.477 15.904 19.111 0.000 0.000 0.000 3/18816 130.0 9.991 13.894 16.721 0.000 0.000 0.000 3/18816 140.0 8.846 12.340 14.865 0.000 0.000 0.000 3/18816 150.0 7.938 11.108 13.387 0.000 0.000 0.000 3/18816 160.0 7.204 10.107 12.183 0.000 0.000 0.000 3/18816 170.0 6.597 9.280 11.186 0.000 0.000 0.000 3/18816 180.0 6.088 8.585 10.346 0.000 0.000 0.000 3/18816 190.0 5.655 7.992 9.629 0.000 0.000 0.000 3/18816 200.0 5.283 7.480 9.010 0.000 0.000 0.000 3/18816 210.0 4.958 7.034 8.469 0.000 0.000 0.000 3/18816 220.0 4.673 6.641 7.993 0.000 0.000 0.000 3/18816 230.0 4.421 6.293 7.570 0.000 0.000 0.000 3/18816 240.0 4.195 5.981 7.192 0.000 0.000 0.000 3/18816 250.0 3.993 5.700 6.852 0.000 0.000 0.000 3/18816 260.0 3.810 5.446 6.544 0.000 0.000 0.000 3/18816 270.0 3.644 5.215 6.264 0.000 0.000 0.000 3/18816 280.0 3.493 5.004 6.009 0.000 0.000 0.000 3/18816 290.0 3.354 4.810 5.774 0.000 0.000 0.000 3/18816 300.0 3.226 4.631 5.557 0.000 0.000 0.000 3/18816 310.0 3.108 4.466 5.357 0.000 0.000 0.000 3/18816 320.0 2.999 4.312 5.172 0.000 0.000 0.000 3/18816 330.0 2.898 4.170 4.999 0.000 0.000 0.000 3/18816 340.0 2.803 4.036 4.838 0.000 0.000 0.000 3/18816 350.0 2.715 3.912 4.687 0.000 0.000 0.000 3/18816 360.0 2.632 3.795 4.546 0.000 0.000 0.000 3/18816 370.0 2.554 3.685 4.414 0.000 0.000 0.000 3/18816 380.0 2.481 3.581 4.289 0.000 0.000 0.000 3/18816 390.0 2.412 3.484 4.171 0.000 0.000 0.000 3/18816 400.0 2.347 3.391 4.060 0.000 0.000 0.000 3/18816 410.0 2.286 3.304 3.954 0.000 0.000 0.000 3/18816 420.0 2.227 3.221 3.855 0.000 0.000 0.000 3/18816 430.0 2.172 3.142 3.760 0.000 0.000 0.000 3/18816 440.0 2.119 3.068 3.670 0.000 0.000 0.000 3/18816 450.0 2.069 2.996 3.584 0.000 0.000 0.000 3/18816 460.0 2.022 2.928 3.502 0.000 0.000 0.000 3/18816 470.0 1.976 2.863 3.424 0.000 0.000 0.000 3/18816 480.0 1.933 2.801 3.349 0.000 0.000 0.000 3/18816 490.0 1.892 2.742 3.278 0.000 0.000 0.000 3/18816 500.0 1.852 2.685 3.210 0.000 0.000 0.000 3/18816 510.0 1.814 2.631 3.144 0.000 0.000 0.000 3/18816 520.0 1.777 2.579 3.082 0.000 0.000 0.000 3/18816 530.0 1.742 2.528 3.021 0.000 0.000 0.000 3/18816 540.0 1.709 2.480 2.964 0.000 0.000 0.000 3/18816 550.0 1.677 2.434 2.908 0.000 0.000 0.000 3/18816 560.0 1.645 2.389 2.854 0.000 0.000 0.000 3/18816 570.0 1.615 2.346 2.803 0.000 0.000 0.000 3/18816 580.0 1.587 2.305 2.753 0.000 0.000 0.000 3/18816 590.0 1.559 2.265 2.705 0.000 0.000 0.000 3/18816 600.0 1.532 2.226 2.659 0.000 0.000 0.000 3/18816 610.0 1.506 2.189 2.614 0.000 0.000 0.000 3/18816 620.0 1.481 2.152 2.571 0.000 0.000 0.000 3/18816 630.0 1.457 2.118 2.529 0.000 0.000 0.000 3/18816 640.0 1.433 2.084 2.488 0.000 0.000 0.000 3/18816 650.0 1.411 2.051 2.449 0.000 0.000 0.000 3/18816 660.0 1.389 2.019 2.411 0.000 0.000 0.000 3/18816 670.0 1.367 1.989 2.374 0.000 0.000 0.000 3/18816 680.0 1.347 1.959 2.339 0.000 0.000 0.000 3/18816 690.0 1.327 1.930 2.304 0.000 0.000 0.000 3/18816 700.0 1.307 1.902 2.271 0.000 0.000 0.000 3/18816 710.0 1.289 1.875 2.238 0.000 0.000 0.000 3/18816 720.0 1.270 1.848 2.206 0.000 0.000 0.000 3/18816 730.0 1.253 1.823 2.176 0.000 0.000 0.000 3/18816 740.0 1.235 1.798 2.146 0.000 0.000 0.000 3/18816 750.0 1.218 1.773 2.117 0.000 0.000 0.000 3/18816 760.0 1.202 1.750 2.088 0.000 0.000 0.000 3/18816 770.0 1.186 1.727 2.061 0.000 0.000 0.000 3/18816 780.0 1.171 1.704 2.034 0.000 0.000 0.000 3/18816 790.0 1.156 1.683 2.008 0.000 0.000 0.000 3/18816 800.0 1.141 1.661 1.982 0.000 0.000 0.000 3/18816 810.0 1.127 1.640 1.958 0.000 0.000 0.000 3/18816 820.0 1.113 1.620 1.933 0.000 0.000 0.000 3/18816 830.0 1.099 1.601 1.910 0.000 0.000 0.000 3/18816 840.0 1.086 1.581 1.887 0.000 0.000 0.000 3/18816 850.0 1.073 1.562 1.864 0.000 0.000 0.000 3/18816 860.0 1.060 1.544 1.842 0.000 0.000 0.000 3/18816 870.0 1.048 1.526 1.821 0.000 0.000 0.000 3/18816 880.0 1.036 1.509 1.800 0.000 0.000 0.000 3/18816 890.0 1.024 1.492 1.779 0.000 0.000 0.000 3/18816 900.0 1.012 1.475 1.759 0.000 0.000 0.000 3/18816 910.0 1.001 1.458 1.740 0.000 0.000 0.000 3/18816 920.0 0.990 1.442 1.721 0.000 0.000 0.000 3/18816 930.0 0.979 1.427 1.702 0.000 0.000 0.000 3/18816 940.0 0.969 1.412 1.684 0.000 0.000 0.000 3/18816 950.0 0.958 1.397 1.666 0.000 0.000 0.000 3/18816 960.0 0.948 1.382 1.648 0.000 0.000 0.000 3/18816 970.0 0.938 1.368 1.631 0.000 0.000 0.000 3/18816 980.0 0.929 1.353 1.614 0.000 0.000 0.000 3/18816 990.0 0.919 1.340 1.598 0.000 0.000 0.000 3/18816 1000.0 0.910 1.326 1.582 0.000 0.000 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m478.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:56:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|