----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:51:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.001845480000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286914040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.958795560000000 Atomic positions (fractional): *1 H 0.29789643718130 0.61050415770557 0.74739635245087 1.008 2 H 0.79789643718130 0.88949584229443 0.75260364754913 1.008 3 H 0.20210356281870 0.38949584229443 0.24739635245087 1.008 4 H 0.70210356281870 0.11050415770557 0.25260364754913 1.008 5 H 0.70210356281870 0.38949584229443 0.25260364754913 1.008 6 H 0.20210356281870 0.11050415770557 0.24739635245087 1.008 7 H 0.79789643718130 0.61050415770557 0.75260364754913 1.008 8 H 0.29789643718130 0.88949584229443 0.74739635245087 1.008 *9 H 0.20289177313903 0.55091552542372 0.61427208579915 1.008 10 H 0.70289177313903 0.94908447457628 0.88572791420085 1.008 11 H 0.29710822686097 0.44908447457628 0.11427208579915 1.008 12 H 0.79710822686097 0.05091552542372 0.38572791420085 1.008 13 H 0.79710822686097 0.44908447457628 0.38572791420085 1.008 14 H 0.29710822686097 0.05091552542372 0.11427208579915 1.008 15 H 0.70289177313903 0.55091552542372 0.88572791420085 1.008 16 H 0.20289177313903 0.94908447457628 0.61427208579915 1.008 *17 Li 0.94262951674473 0.93251788773188 0.16275328974159 6.941 18 Li 0.44262951674473 0.56748211226812 0.33724671025841 6.941 19 Li 0.55737048325527 0.06748211226812 0.66275328974159 6.941 20 Li 0.05737048325527 0.43251788773188 0.83724671025841 6.941 21 Li 0.05737048325527 0.06748211226812 0.83724671025841 6.941 22 Li 0.55737048325527 0.43251788773188 0.66275328974159 6.941 23 Li 0.44262951674473 0.93251788773188 0.33724671025841 6.941 24 Li 0.94262951674473 0.56748211226812 0.16275328974159 6.941 *25 O 0.76068529898440 0.97393037022307 0.79643812009958 15.999 26 O 0.26068529898440 0.52606962977693 0.70356187990042 15.999 27 O 0.73931470101560 0.02606962977693 0.29643812009958 15.999 28 O 0.23931470101560 0.47393037022307 0.20356187990042 15.999 29 O 0.23931470101560 0.02606962977693 0.20356187990042 15.999 30 O 0.73931470101560 0.47393037022307 0.29643812009958 15.999 31 O 0.26068529898440 0.97393037022307 0.70356187990042 15.999 32 O 0.76068529898440 0.52606962977693 0.79643812009958 15.999 *33 O 0.04384067587951 0.25000000000000 0.73308955608367 15.999 34 O 0.54384067587951 0.25000000000000 0.76691044391633 15.999 35 O 0.45615932412049 0.75000000000000 0.23308955608367 15.999 36 O 0.95615932412049 0.75000000000000 0.26691044391633 15.999 *37 O 0.14782001244242 0.87036832824139 0.44447734374972 15.999 38 O 0.64782001244242 0.62963167175861 0.05552265625028 15.999 39 O 0.35217998755758 0.12963167175861 0.94447734374972 15.999 40 O 0.85217998755758 0.37036832824139 0.55552265625028 15.999 41 O 0.85217998755758 0.12963167175861 0.55552265625028 15.999 42 O 0.35217998755758 0.37036832824139 0.94447734374972 15.999 43 O 0.64782001244242 0.87036832824139 0.05552265625028 15.999 44 O 0.14782001244242 0.62963167175861 0.44447734374972 15.999 *45 O 0.15476642245034 0.25000000000000 0.32989816345026 15.999 46 O 0.65476642245034 0.25000000000000 0.17010183654974 15.999 47 O 0.34523357754966 0.75000000000000 0.82989816345026 15.999 48 O 0.84523357754966 0.75000000000000 0.67010183654974 15.999 *49 O 0.62022986888286 0.86991545855520 0.50765677477237 15.999 50 O 0.12022986888286 0.63008454144480 0.99234322522763 15.999 51 O 0.87977013111714 0.13008454144480 0.00765677477237 15.999 52 O 0.37977013111714 0.36991545855520 0.49234322522763 15.999 53 O 0.37977013111714 0.13008454144480 0.49234322522763 15.999 54 O 0.87977013111714 0.36991545855520 0.00765677477237 15.999 55 O 0.12022986888286 0.86991545855520 0.99234322522763 15.999 56 O 0.62022986888286 0.63008454144480 0.50765677477237 15.999 *57 S 0.96615370725753 0.25000000000000 0.59302476208316 32.065 58 S 0.46615370725753 0.25000000000000 0.90697523791684 32.065 59 S 0.53384629274247 0.75000000000000 0.09302476208316 32.065 60 S 0.03384629274247 0.75000000000000 0.40697523791684 32.065 *61 S 0.25957775880757 0.25000000000000 0.46428434372706 32.065 62 S 0.75957775880757 0.25000000000000 0.03571565627294 32.065 63 S 0.24042224119243 0.75000000000000 0.96428434372706 32.065 64 S 0.74042224119243 0.75000000000000 0.53571565627294 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.001845480000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286914040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.958795560000000 Atomic positions (fractional): *1 H 0.29789643718130 0.61050415770557 0.74739635245087 1.008 > 1 2 H 0.79789643718130 0.88949584229443 0.75260364754913 1.008 > 2 3 H 0.20210356281870 0.38949584229443 0.24739635245087 1.008 > 3 4 H 0.70210356281870 0.11050415770557 0.25260364754913 1.008 > 4 5 H 0.70210356281870 0.38949584229443 0.25260364754913 1.008 > 5 6 H 0.20210356281870 0.11050415770557 0.24739635245087 1.008 > 6 7 H 0.79789643718130 0.61050415770557 0.75260364754913 1.008 > 7 8 H 0.29789643718130 0.88949584229443 0.74739635245087 1.008 > 8 *9 H 0.20289177313903 0.55091552542372 0.61427208579915 1.008 > 9 10 H 0.70289177313903 0.94908447457628 0.88572791420085 1.008 > 10 11 H 0.29710822686097 0.44908447457628 0.11427208579915 1.008 > 11 12 H 0.79710822686097 0.05091552542372 0.38572791420085 1.008 > 12 13 H 0.79710822686097 0.44908447457628 0.38572791420085 1.008 > 13 14 H 0.29710822686097 0.05091552542372 0.11427208579915 1.008 > 14 15 H 0.70289177313903 0.55091552542372 0.88572791420085 1.008 > 15 16 H 0.20289177313903 0.94908447457628 0.61427208579915 1.008 > 16 *17 Li 0.94262951674473 0.93251788773188 0.16275328974159 6.941 > 17 18 Li 0.44262951674473 0.56748211226812 0.33724671025841 6.941 > 18 19 Li 0.55737048325527 0.06748211226812 0.66275328974159 6.941 > 19 20 Li 0.05737048325527 0.43251788773188 0.83724671025841 6.941 > 20 21 Li 0.05737048325527 0.06748211226812 0.83724671025841 6.941 > 21 22 Li 0.55737048325527 0.43251788773188 0.66275328974159 6.941 > 22 23 Li 0.44262951674473 0.93251788773188 0.33724671025841 6.941 > 23 24 Li 0.94262951674473 0.56748211226812 0.16275328974159 6.941 > 24 *25 O 0.76068529898440 0.97393037022307 0.79643812009958 15.999 > 25 26 O 0.26068529898440 0.52606962977693 0.70356187990042 15.999 > 26 27 O 0.73931470101560 0.02606962977693 0.29643812009958 15.999 > 27 28 O 0.23931470101560 0.47393037022307 0.20356187990042 15.999 > 28 29 O 0.23931470101560 0.02606962977693 0.20356187990042 15.999 > 29 30 O 0.73931470101560 0.47393037022307 0.29643812009958 15.999 > 30 31 O 0.26068529898440 0.97393037022307 0.70356187990042 15.999 > 31 32 O 0.76068529898440 0.52606962977693 0.79643812009958 15.999 > 32 *33 O 0.04384067587951 0.25000000000000 0.73308955608367 15.999 > 33 34 O 0.54384067587951 0.25000000000000 0.76691044391633 15.999 > 34 35 O 0.45615932412049 0.75000000000000 0.23308955608367 15.999 > 35 36 O 0.95615932412049 0.75000000000000 0.26691044391633 15.999 > 36 *37 O 0.14782001244242 0.87036832824139 0.44447734374972 15.999 > 37 38 O 0.64782001244242 0.62963167175861 0.05552265625028 15.999 > 38 39 O 0.35217998755758 0.12963167175861 0.94447734374972 15.999 > 39 40 O 0.85217998755758 0.37036832824139 0.55552265625028 15.999 > 40 41 O 0.85217998755758 0.12963167175861 0.55552265625028 15.999 > 41 42 O 0.35217998755758 0.37036832824139 0.94447734374972 15.999 > 42 43 O 0.64782001244242 0.87036832824139 0.05552265625028 15.999 > 43 44 O 0.14782001244242 0.62963167175861 0.44447734374972 15.999 > 44 *45 O 0.15476642245034 0.25000000000000 0.32989816345026 15.999 > 45 46 O 0.65476642245034 0.25000000000000 0.17010183654974 15.999 > 46 47 O 0.34523357754966 0.75000000000000 0.82989816345026 15.999 > 47 48 O 0.84523357754966 0.75000000000000 0.67010183654974 15.999 > 48 *49 O 0.62022986888286 0.86991545855520 0.50765677477237 15.999 > 49 50 O 0.12022986888286 0.63008454144480 0.99234322522763 15.999 > 50 51 O 0.87977013111714 0.13008454144480 0.00765677477237 15.999 > 51 52 O 0.37977013111714 0.36991545855520 0.49234322522763 15.999 > 52 53 O 0.37977013111714 0.13008454144480 0.49234322522763 15.999 > 53 54 O 0.87977013111714 0.36991545855520 0.00765677477237 15.999 > 54 55 O 0.12022986888286 0.86991545855520 0.99234322522763 15.999 > 55 56 O 0.62022986888286 0.63008454144480 0.50765677477237 15.999 > 56 *57 S 0.96615370725753 0.25000000000000 0.59302476208316 32.065 > 57 58 S 0.46615370725753 0.25000000000000 0.90697523791684 32.065 > 58 59 S 0.53384629274247 0.75000000000000 0.09302476208316 32.065 > 59 60 S 0.03384629274247 0.75000000000000 0.40697523791684 32.065 > 60 *61 S 0.25957775880757 0.25000000000000 0.46428434372706 32.065 > 61 62 S 0.75957775880757 0.25000000000000 0.03571565627294 32.065 > 62 63 S 0.24042224119243 0.75000000000000 0.96428434372706 32.065 > 63 64 S 0.74042224119243 0.75000000000000 0.53571565627294 32.065 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.003690960000004 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286914040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.958795560000000 Atomic positions (fractional): *1 H 0.14894821859065 0.61050415770557 0.74739635245087 1.008 > 1 2 H 0.64894821859065 0.61050415770557 0.74739635245087 1.008 > 1 3 H 0.39894821859065 0.88949584229443 0.75260364754913 1.008 > 2 4 H 0.89894821859065 0.88949584229443 0.75260364754913 1.008 > 2 5 H 0.10105178140935 0.38949584229443 0.24739635245087 1.008 > 3 6 H 0.60105178140935 0.38949584229443 0.24739635245087 1.008 > 3 7 H 0.35105178140935 0.11050415770557 0.25260364754913 1.008 > 4 8 H 0.85105178140935 0.11050415770557 0.25260364754913 1.008 > 4 9 H 0.35105178140935 0.38949584229443 0.25260364754913 1.008 > 5 10 H 0.85105178140935 0.38949584229443 0.25260364754913 1.008 > 5 11 H 0.10105178140935 0.11050415770557 0.24739635245087 1.008 > 6 12 H 0.60105178140935 0.11050415770557 0.24739635245087 1.008 > 6 13 H 0.39894821859065 0.61050415770557 0.75260364754913 1.008 > 7 14 H 0.89894821859065 0.61050415770557 0.75260364754913 1.008 > 7 15 H 0.14894821859065 0.88949584229443 0.74739635245087 1.008 > 8 16 H 0.64894821859065 0.88949584229443 0.74739635245087 1.008 > 8 *17 H 0.10144588656952 0.55091552542372 0.61427208579915 1.008 > 9 18 H 0.60144588656952 0.55091552542372 0.61427208579915 1.008 > 9 19 H 0.35144588656952 0.94908447457628 0.88572791420085 1.008 > 10 20 H 0.85144588656952 0.94908447457628 0.88572791420085 1.008 > 10 21 H 0.14855411343048 0.44908447457628 0.11427208579915 1.008 > 11 22 H 0.64855411343048 0.44908447457628 0.11427208579915 1.008 > 11 23 H 0.39855411343048 0.05091552542372 0.38572791420085 1.008 > 12 24 H 0.89855411343048 0.05091552542372 0.38572791420085 1.008 > 12 25 H 0.39855411343048 0.44908447457628 0.38572791420085 1.008 > 13 26 H 0.89855411343048 0.44908447457628 0.38572791420085 1.008 > 13 27 H 0.14855411343048 0.05091552542372 0.11427208579915 1.008 > 14 28 H 0.64855411343048 0.05091552542372 0.11427208579915 1.008 > 14 29 H 0.35144588656952 0.55091552542372 0.88572791420085 1.008 > 15 30 H 0.85144588656952 0.55091552542372 0.88572791420085 1.008 > 15 31 H 0.10144588656952 0.94908447457628 0.61427208579915 1.008 > 16 32 H 0.60144588656952 0.94908447457628 0.61427208579915 1.008 > 16 *33 Li 0.47131475837236 0.93251788773188 0.16275328974159 6.941 > 17 34 Li 0.97131475837236 0.93251788773188 0.16275328974159 6.941 > 17 35 Li 0.22131475837237 0.56748211226812 0.33724671025841 6.941 > 18 36 Li 0.72131475837237 0.56748211226812 0.33724671025841 6.941 > 18 37 Li 0.27868524162764 0.06748211226812 0.66275328974159 6.941 > 19 38 Li 0.77868524162764 0.06748211226812 0.66275328974159 6.941 > 19 39 Li 0.02868524162763 0.43251788773188 0.83724671025841 6.941 > 20 40 Li 0.52868524162763 0.43251788773188 0.83724671025841 6.941 > 20 41 Li 0.02868524162763 0.06748211226812 0.83724671025841 6.941 > 21 42 Li 0.52868524162763 0.06748211226812 0.83724671025841 6.941 > 21 43 Li 0.27868524162764 0.43251788773188 0.66275328974159 6.941 > 22 44 Li 0.77868524162764 0.43251788773188 0.66275328974159 6.941 > 22 45 Li 0.22131475837237 0.93251788773188 0.33724671025841 6.941 > 23 46 Li 0.72131475837237 0.93251788773188 0.33724671025841 6.941 > 23 47 Li 0.47131475837236 0.56748211226812 0.16275328974159 6.941 > 24 48 Li 0.97131475837236 0.56748211226812 0.16275328974159 6.941 > 24 *49 O 0.38034264949220 0.97393037022307 0.79643812009958 15.999 > 25 50 O 0.88034264949220 0.97393037022307 0.79643812009958 15.999 > 25 51 O 0.13034264949220 0.52606962977693 0.70356187990042 15.999 > 26 52 O 0.63034264949220 0.52606962977693 0.70356187990042 15.999 > 26 53 O 0.36965735050780 0.02606962977693 0.29643812009958 15.999 > 27 54 O 0.86965735050780 0.02606962977693 0.29643812009958 15.999 > 27 55 O 0.11965735050780 0.47393037022307 0.20356187990042 15.999 > 28 56 O 0.61965735050780 0.47393037022307 0.20356187990042 15.999 > 28 57 O 0.11965735050780 0.02606962977693 0.20356187990042 15.999 > 29 58 O 0.61965735050780 0.02606962977693 0.20356187990042 15.999 > 29 59 O 0.36965735050780 0.47393037022307 0.29643812009958 15.999 > 30 60 O 0.86965735050780 0.47393037022307 0.29643812009958 15.999 > 30 61 O 0.13034264949220 0.97393037022307 0.70356187990042 15.999 > 31 62 O 0.63034264949220 0.97393037022307 0.70356187990042 15.999 > 31 63 O 0.38034264949220 0.52606962977693 0.79643812009958 15.999 > 32 64 O 0.88034264949220 0.52606962977693 0.79643812009958 15.999 > 32 *65 O 0.02192033793975 0.25000000000000 0.73308955608367 15.999 > 33 66 O 0.52192033793975 0.25000000000000 0.73308955608367 15.999 > 33 67 O 0.27192033793975 0.25000000000000 0.76691044391633 15.999 > 34 68 O 0.77192033793975 0.25000000000000 0.76691044391633 15.999 > 34 69 O 0.22807966206025 0.75000000000000 0.23308955608367 15.999 > 35 70 O 0.72807966206025 0.75000000000000 0.23308955608367 15.999 > 35 71 O 0.47807966206025 0.75000000000000 0.26691044391633 15.999 > 36 72 O 0.97807966206025 0.75000000000000 0.26691044391633 15.999 > 36 *73 O 0.07391000622121 0.87036832824139 0.44447734374972 15.999 > 37 74 O 0.57391000622121 0.87036832824139 0.44447734374972 15.999 > 37 75 O 0.32391000622121 0.62963167175861 0.05552265625028 15.999 > 38 76 O 0.82391000622121 0.62963167175861 0.05552265625028 15.999 > 38 77 O 0.17608999377879 0.12963167175861 0.94447734374972 15.999 > 39 78 O 0.67608999377879 0.12963167175861 0.94447734374972 15.999 > 39 79 O 0.42608999377879 0.37036832824139 0.55552265625028 15.999 > 40 80 O 0.92608999377879 0.37036832824139 0.55552265625028 15.999 > 40 81 O 0.42608999377879 0.12963167175861 0.55552265625028 15.999 > 41 82 O 0.92608999377879 0.12963167175861 0.55552265625028 15.999 > 41 83 O 0.17608999377879 0.37036832824139 0.94447734374972 15.999 > 42 84 O 0.67608999377879 0.37036832824139 0.94447734374972 15.999 > 42 85 O 0.32391000622121 0.87036832824139 0.05552265625028 15.999 > 43 86 O 0.82391000622121 0.87036832824139 0.05552265625028 15.999 > 43 87 O 0.07391000622121 0.62963167175861 0.44447734374972 15.999 > 44 88 O 0.57391000622121 0.62963167175861 0.44447734374972 15.999 > 44 *89 O 0.07738321122517 0.25000000000000 0.32989816345026 15.999 > 45 90 O 0.57738321122517 0.25000000000000 0.32989816345026 15.999 > 45 91 O 0.32738321122517 0.25000000000000 0.17010183654974 15.999 > 46 92 O 0.82738321122517 0.25000000000000 0.17010183654974 15.999 > 46 93 O 0.17261678877483 0.75000000000000 0.82989816345026 15.999 > 47 94 O 0.67261678877483 0.75000000000000 0.82989816345026 15.999 > 47 95 O 0.42261678877483 0.75000000000000 0.67010183654974 15.999 > 48 96 O 0.92261678877483 0.75000000000000 0.67010183654974 15.999 > 48 *97 O 0.31011493444143 0.86991545855520 0.50765677477237 15.999 > 49 98 O 0.81011493444143 0.86991545855520 0.50765677477237 15.999 > 49 99 O 0.06011493444143 0.63008454144480 0.99234322522763 15.999 > 50 100 O 0.56011493444143 0.63008454144480 0.99234322522763 15.999 > 50 101 O 0.43988506555857 0.13008454144480 0.00765677477237 15.999 > 51 102 O 0.93988506555857 0.13008454144480 0.00765677477237 15.999 > 51 103 O 0.18988506555857 0.36991545855520 0.49234322522763 15.999 > 52 104 O 0.68988506555857 0.36991545855520 0.49234322522763 15.999 > 52 105 O 0.18988506555857 0.13008454144480 0.49234322522763 15.999 > 53 106 O 0.68988506555857 0.13008454144480 0.49234322522763 15.999 > 53 107 O 0.43988506555857 0.36991545855520 0.00765677477237 15.999 > 54 108 O 0.93988506555857 0.36991545855520 0.00765677477237 15.999 > 54 109 O 0.06011493444143 0.86991545855520 0.99234322522763 15.999 > 55 110 O 0.56011493444143 0.86991545855520 0.99234322522763 15.999 > 55 111 O 0.31011493444143 0.63008454144480 0.50765677477237 15.999 > 56 112 O 0.81011493444143 0.63008454144480 0.50765677477237 15.999 > 56 *113 S 0.48307685362876 0.25000000000000 0.59302476208316 32.065 > 57 114 S 0.98307685362876 0.25000000000000 0.59302476208316 32.065 > 57 115 S 0.23307685362876 0.25000000000000 0.90697523791684 32.065 > 58 116 S 0.73307685362876 0.25000000000000 0.90697523791684 32.065 > 58 117 S 0.26692314637124 0.75000000000000 0.09302476208316 32.065 > 59 118 S 0.76692314637124 0.75000000000000 0.09302476208316 32.065 > 59 119 S 0.01692314637124 0.75000000000000 0.40697523791684 32.065 > 60 120 S 0.51692314637124 0.75000000000000 0.40697523791684 32.065 > 60 *121 S 0.12978887940379 0.25000000000000 0.46428434372706 32.065 > 61 122 S 0.62978887940379 0.25000000000000 0.46428434372706 32.065 > 61 123 S 0.37978887940379 0.25000000000000 0.03571565627294 32.065 > 62 124 S 0.87978887940379 0.25000000000000 0.03571565627294 32.065 > 62 125 S 0.12021112059621 0.75000000000000 0.96428434372706 32.065 > 63 126 S 0.62021112059621 0.75000000000000 0.96428434372706 32.065 > 63 127 S 0.37021112059621 0.75000000000000 0.53571565627294 32.065 > 64 128 S 0.87021112059621 0.75000000000000 0.53571565627294 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6125348 0.0000000 0.0000000 0.0000000 2.5708114 0.0000000 0.0000000 0.0000000 2.6814662 -------------------------- Born effective charges -------------------------- 1 H 0.3979806 0.0884530 0.0524949 0.1240793 0.8088603 0.3899264 0.1047612 0.6263535 0.7237177 2 H 0.3979806 -0.0884530 -0.0524949 -0.1240793 0.8088603 0.3899264 -0.1047612 0.6263535 0.7237177 3 H 0.3979806 0.0884530 -0.0524949 0.1240793 0.8088603 -0.3899264 -0.1047612 -0.6263535 0.7237177 4 H 0.3979806 -0.0884530 0.0524949 -0.1240793 0.8088603 -0.3899264 0.1047612 -0.6263535 0.7237177 5 H 0.3979806 0.0884530 0.0524949 0.1240793 0.8088603 0.3899264 0.1047612 0.6263535 0.7237177 6 H 0.3979806 -0.0884530 -0.0524949 -0.1240793 0.8088603 0.3899264 -0.1047612 0.6263535 0.7237177 7 H 0.3979806 0.0884530 -0.0524949 0.1240793 0.8088603 -0.3899264 -0.1047612 -0.6263535 0.7237177 8 H 0.3979806 -0.0884530 0.0524949 -0.1240793 0.8088603 -0.3899264 0.1047612 -0.6263535 0.7237177 9 H 0.4515227 -0.0655065 0.2140228 -0.0584151 0.5135908 -0.2019026 0.1050033 -0.1305296 0.7511701 10 H 0.4515227 0.0655065 -0.2140228 0.0584151 0.5135908 -0.2019026 -0.1050033 -0.1305296 0.7511701 11 H 0.4515227 -0.0655065 -0.2140228 -0.0584151 0.5135908 0.2019026 -0.1050033 0.1305296 0.7511701 12 H 0.4515227 0.0655065 0.2140228 0.0584151 0.5135908 0.2019026 0.1050033 0.1305296 0.7511701 13 H 0.4515227 -0.0655065 0.2140228 -0.0584151 0.5135908 -0.2019026 0.1050033 -0.1305296 0.7511701 14 H 0.4515227 0.0655065 -0.2140228 0.0584151 0.5135908 -0.2019026 -0.1050033 -0.1305296 0.7511701 15 H 0.4515227 -0.0655065 -0.2140228 -0.0584151 0.5135908 0.2019026 -0.1050033 0.1305296 0.7511701 16 H 0.4515227 0.0655065 0.2140228 0.0584151 0.5135908 0.2019026 0.1050033 0.1305296 0.7511701 17 Li 1.2417095 -0.0442157 -0.0366676 0.0294659 1.2195058 0.1046037 0.0230668 -0.1334792 1.1326943 18 Li 1.2417095 0.0442157 0.0366676 -0.0294659 1.2195058 0.1046037 -0.0230668 -0.1334792 1.1326943 19 Li 1.2417095 -0.0442157 0.0366676 0.0294659 1.2195058 -0.1046037 -0.0230668 0.1334792 1.1326943 20 Li 1.2417095 0.0442157 -0.0366676 -0.0294659 1.2195058 -0.1046037 0.0230668 0.1334792 1.1326943 21 Li 1.2417095 -0.0442157 -0.0366676 0.0294659 1.2195058 0.1046037 0.0230668 -0.1334792 1.1326943 22 Li 1.2417095 0.0442157 0.0366676 -0.0294659 1.2195058 0.1046037 -0.0230668 -0.1334792 1.1326943 23 Li 1.2417095 -0.0442157 0.0366676 0.0294659 1.2195058 -0.1046037 -0.0230668 0.1334792 1.1326943 24 Li 1.2417095 0.0442157 -0.0366676 -0.0294659 1.2195058 -0.1046037 0.0230668 0.1334792 1.1326943 25 O -0.9919604 0.0513808 0.1168000 0.0452578 -1.0969729 -0.1031401 0.0893001 -0.3073394 -1.1784866 26 O -0.9919604 -0.0513808 -0.1168000 -0.0452578 -1.0969729 -0.1031401 -0.0893001 -0.3073394 -1.1784866 27 O -0.9919604 0.0513808 -0.1168000 0.0452578 -1.0969729 0.1031401 -0.0893001 0.3073394 -1.1784866 28 O -0.9919604 -0.0513808 0.1168000 -0.0452578 -1.0969729 0.1031401 0.0893001 0.3073394 -1.1784866 29 O -0.9919604 0.0513808 0.1168000 0.0452578 -1.0969729 -0.1031401 0.0893001 -0.3073394 -1.1784866 30 O -0.9919604 -0.0513808 -0.1168000 -0.0452578 -1.0969729 -0.1031401 -0.0893001 -0.3073394 -1.1784866 31 O -0.9919604 0.0513808 -0.1168000 0.0452578 -1.0969729 0.1031401 -0.0893001 0.3073394 -1.1784866 32 O -0.9919604 -0.0513808 0.1168000 -0.0452578 -1.0969729 0.1031401 0.0893001 0.3073394 -1.1784866 33 O -0.9902953 0.0000000 -0.0576648 0.0000000 -0.9143479 0.0000000 -0.2423799 0.0000000 -2.2000215 34 O -0.9902953 0.0000000 0.0576648 0.0000000 -0.9143479 0.0000000 0.2423799 0.0000000 -2.2000215 35 O -0.9902953 0.0000000 0.0576648 0.0000000 -0.9143479 0.0000000 0.2423799 0.0000000 -2.2000215 36 O -0.9902953 0.0000000 -0.0576648 0.0000000 -0.9143479 0.0000000 -0.2423799 0.0000000 -2.2000215 37 O -1.4567668 -0.7407717 -0.0862527 -0.5196692 -1.5459827 -0.2064874 0.1093761 -0.1653024 -1.0507632 38 O -1.4567668 0.7407717 0.0862527 0.5196692 -1.5459827 -0.2064874 -0.1093761 -0.1653024 -1.0507632 39 O -1.4567668 -0.7407717 0.0862527 -0.5196692 -1.5459827 0.2064874 -0.1093761 0.1653024 -1.0507632 40 O -1.4567668 0.7407717 -0.0862527 0.5196692 -1.5459827 0.2064874 0.1093761 0.1653024 -1.0507632 41 O -1.4567668 -0.7407717 -0.0862527 -0.5196692 -1.5459827 -0.2064874 0.1093761 -0.1653024 -1.0507632 42 O -1.4567668 0.7407717 0.0862527 0.5196692 -1.5459827 -0.2064874 -0.1093761 -0.1653024 -1.0507632 43 O -1.4567668 -0.7407717 0.0862527 -0.5196692 -1.5459827 0.2064874 -0.1093761 0.1653024 -1.0507632 44 O -1.4567668 0.7407717 -0.0862527 0.5196692 -1.5459827 0.2064874 0.1093761 0.1653024 -1.0507632 45 O -0.8631217 0.0000000 0.0233925 0.0000000 -1.1774504 0.0000000 -0.2651118 0.0000000 -2.3280621 46 O -0.8631217 0.0000000 -0.0233925 0.0000000 -1.1774504 0.0000000 0.2651118 0.0000000 -2.3280621 47 O -0.8631217 0.0000000 -0.0233925 0.0000000 -1.1774504 0.0000000 0.2651118 0.0000000 -2.3280621 48 O -0.8631217 0.0000000 0.0233925 0.0000000 -1.1774504 0.0000000 -0.2651118 0.0000000 -2.3280621 49 O -1.3752043 0.6840945 -0.0799914 0.4905601 -1.5362364 0.1386097 -0.0229597 0.0269356 -0.9952521 50 O -1.3752043 -0.6840945 0.0799914 -0.4905601 -1.5362364 0.1386097 0.0229597 0.0269356 -0.9952521 51 O -1.3752043 0.6840945 0.0799914 0.4905601 -1.5362364 -0.1386097 0.0229597 -0.0269356 -0.9952521 52 O -1.3752043 -0.6840945 -0.0799914 -0.4905601 -1.5362364 -0.1386097 -0.0229597 -0.0269356 -0.9952521 53 O -1.3752043 0.6840945 -0.0799914 0.4905601 -1.5362364 0.1386097 -0.0229597 0.0269356 -0.9952521 54 O -1.3752043 -0.6840945 0.0799914 -0.4905601 -1.5362364 0.1386097 0.0229597 0.0269356 -0.9952521 55 O -1.3752043 0.6840945 0.0799914 0.4905601 -1.5362364 -0.1386097 0.0229597 -0.0269356 -0.9952521 56 O -1.3752043 -0.6840945 -0.0799914 -0.4905601 -1.5362364 -0.1386097 -0.0229597 -0.0269356 -0.9952521 57 S 2.6908897 0.0000000 0.0196548 0.0000000 2.7571937 0.0000000 -0.0823962 0.0000000 2.8522617 58 S 2.6908897 0.0000000 -0.0196548 0.0000000 2.7571937 0.0000000 0.0823962 0.0000000 2.8522617 59 S 2.6908897 0.0000000 -0.0196548 0.0000000 2.7571937 0.0000000 0.0823962 0.0000000 2.8522617 60 S 2.6908897 0.0000000 0.0196548 0.0000000 2.7571937 0.0000000 -0.0823962 0.0000000 2.8522617 61 S 2.6279649 0.0000000 0.0150422 0.0000000 2.6090750 0.0000000 0.3035663 0.0000000 2.9096615 62 S 2.6279649 0.0000000 -0.0150422 0.0000000 2.6090750 0.0000000 -0.3035663 0.0000000 2.9096615 63 S 2.6279649 0.0000000 -0.0150422 0.0000000 2.6090750 0.0000000 -0.3035663 0.0000000 2.9096615 64 S 2.6279649 0.0000000 0.0150422 0.0000000 2.6090750 0.0000000 0.3035663 0.0000000 2.9096615 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4784 Number of blocks in projector: 4784 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: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 234 eigenvectors found. (2) Block: 500 / 588 (2) 230 eigenvectors found. (2) Block: 588 / 588 (2) 80 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 960 / 960 (1) 448 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 960 / 960 (1) 448 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 86 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 86 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4784, 4710), data: False |-- (592, 582), data: False |-- (592, 582), data: False |-- (592, 17), data: (592, 27) @ (27, 17) |-- (92, 85), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (592, 582), data: False |-- (592, 582), data: False |-- (592, 16), data: (592, 26) @ (26, 16) |-- (92, 86), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (592, 582), data: False |-- (592, 582), data: False |-- (592, 16), data: (592, 26) @ (26, 16) |-- (92, 86), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (960, 948), data: False |-- (960, 12), data: (960, 24) @ (24, 12) |-- (460, 448), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (960, 948), data: False |-- (960, 12), data: (960, 24) @ (24, 12) |-- (460, 448), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1088, 1068), data: False |-- (1088, 20), data: (1088, 40) @ (40, 20) |-- (588, 568), data: False |-- (588, 24), data: (588, 44) @ (44, 24) |-- (88, 80), data: True |-- (250, 230), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.255 Solver_block: 200 / 960 - Time: 1.111 Solver_block: 300 / 960 - Time: 1.105 Solver_block: 400 / 960 - Time: 1.108 Solver_block: 500 / 960 - Time: 1.109 Solver_block: 600 / 960 - Time: 1.110 Solver_block: 700 / 960 - Time: 1.107 Solver_block: 800 / 960 - Time: 1.105 Solver_block: 900 / 960 - Time: 1.113 Solver_block: 960 / 960 - Time: 0.753 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.208 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4784 Number of blocks in projector: 4784 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: 1088 Use submatrix version of eigh solver. (1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 234 eigenvectors found. (2) Block: 500 / 588 (2) 230 eigenvectors found. (2) Block: 588 / 588 (2) 80 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 568 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 960 / 960 (1) 448 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 960 / 960 (1) 448 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 86 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 86 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 592 Use submatrix version of eigh solver. (1) Block: 592 / 592 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4784, 4710), data: False |-- (592, 582), data: False |-- (592, 582), data: False |-- (592, 17), data: (592, 27) @ (27, 17) |-- (92, 85), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (592, 582), data: False |-- (592, 582), data: False |-- (592, 16), data: (592, 26) @ (26, 16) |-- (92, 86), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (592, 582), data: False |-- (592, 582), data: False |-- (592, 16), data: (592, 26) @ (26, 16) |-- (92, 86), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (960, 948), data: False |-- (960, 12), data: (960, 24) @ (24, 12) |-- (460, 448), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (960, 948), data: False |-- (960, 12), data: (960, 24) @ (24, 12) |-- (460, 448), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1088, 1068), data: False |-- (1088, 20), data: (1088, 40) @ (40, 20) |-- (588, 568), data: False |-- (588, 24), data: (588, 44) @ (44, 24) |-- (88, 80), data: True |-- (250, 230), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), 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 2026-01-08 05:52:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:52:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.001845480000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286914040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.958795560000000 Atomic positions (fractional): 1 H 0.29789643718130 0.61050415770557 0.74739635245087 1.008 2 H 0.79789643718130 0.88949584229443 0.75260364754913 1.008 3 H 0.20210356281870 0.38949584229443 0.24739635245087 1.008 4 H 0.70210356281870 0.11050415770557 0.25260364754913 1.008 5 H 0.70210356281870 0.38949584229443 0.25260364754913 1.008 6 H 0.20210356281870 0.11050415770557 0.24739635245087 1.008 7 H 0.79789643718130 0.61050415770557 0.75260364754913 1.008 8 H 0.29789643718130 0.88949584229443 0.74739635245087 1.008 9 H 0.20289177313903 0.55091552542372 0.61427208579915 1.008 10 H 0.70289177313903 0.94908447457628 0.88572791420085 1.008 11 H 0.29710822686097 0.44908447457628 0.11427208579915 1.008 12 H 0.79710822686097 0.05091552542372 0.38572791420085 1.008 13 H 0.79710822686097 0.44908447457628 0.38572791420085 1.008 14 H 0.29710822686097 0.05091552542372 0.11427208579915 1.008 15 H 0.70289177313903 0.55091552542372 0.88572791420085 1.008 16 H 0.20289177313903 0.94908447457628 0.61427208579915 1.008 17 Li 0.94262951674473 0.93251788773188 0.16275328974159 6.941 18 Li 0.44262951674473 0.56748211226812 0.33724671025841 6.941 19 Li 0.55737048325527 0.06748211226812 0.66275328974159 6.941 20 Li 0.05737048325527 0.43251788773188 0.83724671025841 6.941 21 Li 0.05737048325527 0.06748211226812 0.83724671025841 6.941 22 Li 0.55737048325527 0.43251788773188 0.66275328974159 6.941 23 Li 0.44262951674473 0.93251788773188 0.33724671025841 6.941 24 Li 0.94262951674473 0.56748211226812 0.16275328974159 6.941 25 O 0.76068529898440 0.97393037022307 0.79643812009958 15.999 26 O 0.26068529898440 0.52606962977693 0.70356187990042 15.999 27 O 0.73931470101560 0.02606962977693 0.29643812009958 15.999 28 O 0.23931470101560 0.47393037022307 0.20356187990042 15.999 29 O 0.23931470101560 0.02606962977693 0.20356187990042 15.999 30 O 0.73931470101560 0.47393037022307 0.29643812009958 15.999 31 O 0.26068529898440 0.97393037022307 0.70356187990042 15.999 32 O 0.76068529898440 0.52606962977693 0.79643812009958 15.999 33 O 0.04384067587951 0.25000000000000 0.73308955608367 15.999 34 O 0.54384067587951 0.25000000000000 0.76691044391633 15.999 35 O 0.45615932412049 0.75000000000000 0.23308955608367 15.999 36 O 0.95615932412049 0.75000000000000 0.26691044391633 15.999 37 O 0.14782001244242 0.87036832824139 0.44447734374972 15.999 38 O 0.64782001244242 0.62963167175861 0.05552265625028 15.999 39 O 0.35217998755758 0.12963167175861 0.94447734374972 15.999 40 O 0.85217998755758 0.37036832824139 0.55552265625028 15.999 41 O 0.85217998755758 0.12963167175861 0.55552265625028 15.999 42 O 0.35217998755758 0.37036832824139 0.94447734374972 15.999 43 O 0.64782001244242 0.87036832824139 0.05552265625028 15.999 44 O 0.14782001244242 0.62963167175861 0.44447734374972 15.999 45 O 0.15476642245034 0.25000000000000 0.32989816345026 15.999 46 O 0.65476642245034 0.25000000000000 0.17010183654974 15.999 47 O 0.34523357754966 0.75000000000000 0.82989816345026 15.999 48 O 0.84523357754966 0.75000000000000 0.67010183654974 15.999 49 O 0.62022986888286 0.86991545855520 0.50765677477237 15.999 50 O 0.12022986888286 0.63008454144480 0.99234322522763 15.999 51 O 0.87977013111714 0.13008454144480 0.00765677477237 15.999 52 O 0.37977013111714 0.36991545855520 0.49234322522763 15.999 53 O 0.37977013111714 0.13008454144480 0.49234322522763 15.999 54 O 0.87977013111714 0.36991545855520 0.00765677477237 15.999 55 O 0.12022986888286 0.86991545855520 0.99234322522763 15.999 56 O 0.62022986888286 0.63008454144480 0.50765677477237 15.999 57 S 0.96615370725753 0.25000000000000 0.59302476208316 32.065 58 S 0.46615370725753 0.25000000000000 0.90697523791684 32.065 59 S 0.53384629274247 0.75000000000000 0.09302476208316 32.065 60 S 0.03384629274247 0.75000000000000 0.40697523791684 32.065 61 S 0.25957775880757 0.25000000000000 0.46428434372706 32.065 62 S 0.75957775880757 0.25000000000000 0.03571565627294 32.065 63 S 0.24042224119243 0.75000000000000 0.96428434372706 32.065 64 S 0.74042224119243 0.75000000000000 0.53571565627294 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.003690960000004 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286914040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.958795560000000 Atomic positions (fractional): 1 H 0.14894821859065 0.61050415770557 0.74739635245087 1.008 > 1 2 H 0.64894821859065 0.61050415770557 0.74739635245087 1.008 > 1 3 H 0.39894821859065 0.88949584229443 0.75260364754913 1.008 > 3 4 H 0.89894821859065 0.88949584229443 0.75260364754913 1.008 > 3 5 H 0.10105178140935 0.38949584229443 0.24739635245087 1.008 > 5 6 H 0.60105178140935 0.38949584229443 0.24739635245087 1.008 > 5 7 H 0.35105178140935 0.11050415770557 0.25260364754913 1.008 > 7 8 H 0.85105178140935 0.11050415770557 0.25260364754913 1.008 > 7 9 H 0.35105178140935 0.38949584229443 0.25260364754913 1.008 > 9 10 H 0.85105178140935 0.38949584229443 0.25260364754913 1.008 > 9 11 H 0.10105178140935 0.11050415770557 0.24739635245087 1.008 > 11 12 H 0.60105178140935 0.11050415770557 0.24739635245087 1.008 > 11 13 H 0.39894821859065 0.61050415770557 0.75260364754913 1.008 > 13 14 H 0.89894821859065 0.61050415770557 0.75260364754913 1.008 > 13 15 H 0.14894821859065 0.88949584229443 0.74739635245087 1.008 > 15 16 H 0.64894821859065 0.88949584229443 0.74739635245087 1.008 > 15 17 H 0.10144588656952 0.55091552542372 0.61427208579915 1.008 > 17 18 H 0.60144588656952 0.55091552542372 0.61427208579915 1.008 > 17 19 H 0.35144588656952 0.94908447457628 0.88572791420085 1.008 > 19 20 H 0.85144588656952 0.94908447457628 0.88572791420085 1.008 > 19 21 H 0.14855411343048 0.44908447457628 0.11427208579915 1.008 > 21 22 H 0.64855411343048 0.44908447457628 0.11427208579915 1.008 > 21 23 H 0.39855411343048 0.05091552542372 0.38572791420085 1.008 > 23 24 H 0.89855411343048 0.05091552542372 0.38572791420085 1.008 > 23 25 H 0.39855411343048 0.44908447457628 0.38572791420085 1.008 > 25 26 H 0.89855411343048 0.44908447457628 0.38572791420085 1.008 > 25 27 H 0.14855411343048 0.05091552542372 0.11427208579915 1.008 > 27 28 H 0.64855411343048 0.05091552542372 0.11427208579915 1.008 > 27 29 H 0.35144588656952 0.55091552542372 0.88572791420085 1.008 > 29 30 H 0.85144588656952 0.55091552542372 0.88572791420085 1.008 > 29 31 H 0.10144588656952 0.94908447457628 0.61427208579915 1.008 > 31 32 H 0.60144588656952 0.94908447457628 0.61427208579915 1.008 > 31 33 Li 0.47131475837236 0.93251788773188 0.16275328974159 6.941 > 33 34 Li 0.97131475837236 0.93251788773188 0.16275328974159 6.941 > 33 35 Li 0.22131475837237 0.56748211226812 0.33724671025841 6.941 > 35 36 Li 0.72131475837237 0.56748211226812 0.33724671025841 6.941 > 35 37 Li 0.27868524162764 0.06748211226812 0.66275328974159 6.941 > 37 38 Li 0.77868524162764 0.06748211226812 0.66275328974159 6.941 > 37 39 Li 0.02868524162763 0.43251788773188 0.83724671025841 6.941 > 39 40 Li 0.52868524162763 0.43251788773188 0.83724671025841 6.941 > 39 41 Li 0.02868524162763 0.06748211226812 0.83724671025841 6.941 > 41 42 Li 0.52868524162763 0.06748211226812 0.83724671025841 6.941 > 41 43 Li 0.27868524162764 0.43251788773188 0.66275328974159 6.941 > 43 44 Li 0.77868524162764 0.43251788773188 0.66275328974159 6.941 > 43 45 Li 0.22131475837237 0.93251788773188 0.33724671025841 6.941 > 45 46 Li 0.72131475837237 0.93251788773188 0.33724671025841 6.941 > 45 47 Li 0.47131475837236 0.56748211226812 0.16275328974159 6.941 > 47 48 Li 0.97131475837236 0.56748211226812 0.16275328974159 6.941 > 47 49 O 0.38034264949220 0.97393037022307 0.79643812009958 15.999 > 49 50 O 0.88034264949220 0.97393037022307 0.79643812009958 15.999 > 49 51 O 0.13034264949220 0.52606962977693 0.70356187990042 15.999 > 51 52 O 0.63034264949220 0.52606962977693 0.70356187990042 15.999 > 51 53 O 0.36965735050780 0.02606962977693 0.29643812009958 15.999 > 53 54 O 0.86965735050780 0.02606962977693 0.29643812009958 15.999 > 53 55 O 0.11965735050780 0.47393037022307 0.20356187990042 15.999 > 55 56 O 0.61965735050780 0.47393037022307 0.20356187990042 15.999 > 55 57 O 0.11965735050780 0.02606962977693 0.20356187990042 15.999 > 57 58 O 0.61965735050780 0.02606962977693 0.20356187990042 15.999 > 57 59 O 0.36965735050780 0.47393037022307 0.29643812009958 15.999 > 59 60 O 0.86965735050780 0.47393037022307 0.29643812009958 15.999 > 59 61 O 0.13034264949220 0.97393037022307 0.70356187990042 15.999 > 61 62 O 0.63034264949220 0.97393037022307 0.70356187990042 15.999 > 61 63 O 0.38034264949220 0.52606962977693 0.79643812009958 15.999 > 63 64 O 0.88034264949220 0.52606962977693 0.79643812009958 15.999 > 63 65 O 0.02192033793975 0.25000000000000 0.73308955608367 15.999 > 65 66 O 0.52192033793975 0.25000000000000 0.73308955608367 15.999 > 65 67 O 0.27192033793975 0.25000000000000 0.76691044391633 15.999 > 67 68 O 0.77192033793975 0.25000000000000 0.76691044391633 15.999 > 67 69 O 0.22807966206025 0.75000000000000 0.23308955608367 15.999 > 69 70 O 0.72807966206025 0.75000000000000 0.23308955608367 15.999 > 69 71 O 0.47807966206025 0.75000000000000 0.26691044391633 15.999 > 71 72 O 0.97807966206025 0.75000000000000 0.26691044391633 15.999 > 71 73 O 0.07391000622121 0.87036832824139 0.44447734374972 15.999 > 73 74 O 0.57391000622121 0.87036832824139 0.44447734374972 15.999 > 73 75 O 0.32391000622121 0.62963167175861 0.05552265625028 15.999 > 75 76 O 0.82391000622121 0.62963167175861 0.05552265625028 15.999 > 75 77 O 0.17608999377879 0.12963167175861 0.94447734374972 15.999 > 77 78 O 0.67608999377879 0.12963167175861 0.94447734374972 15.999 > 77 79 O 0.42608999377879 0.37036832824139 0.55552265625028 15.999 > 79 80 O 0.92608999377879 0.37036832824139 0.55552265625028 15.999 > 79 81 O 0.42608999377879 0.12963167175861 0.55552265625028 15.999 > 81 82 O 0.92608999377879 0.12963167175861 0.55552265625028 15.999 > 81 83 O 0.17608999377879 0.37036832824139 0.94447734374972 15.999 > 83 84 O 0.67608999377879 0.37036832824139 0.94447734374972 15.999 > 83 85 O 0.32391000622121 0.87036832824139 0.05552265625028 15.999 > 85 86 O 0.82391000622121 0.87036832824139 0.05552265625028 15.999 > 85 87 O 0.07391000622121 0.62963167175861 0.44447734374972 15.999 > 87 88 O 0.57391000622121 0.62963167175861 0.44447734374972 15.999 > 87 89 O 0.07738321122517 0.25000000000000 0.32989816345026 15.999 > 89 90 O 0.57738321122517 0.25000000000000 0.32989816345026 15.999 > 89 91 O 0.32738321122517 0.25000000000000 0.17010183654974 15.999 > 91 92 O 0.82738321122517 0.25000000000000 0.17010183654974 15.999 > 91 93 O 0.17261678877483 0.75000000000000 0.82989816345026 15.999 > 93 94 O 0.67261678877483 0.75000000000000 0.82989816345026 15.999 > 93 95 O 0.42261678877483 0.75000000000000 0.67010183654974 15.999 > 95 96 O 0.92261678877483 0.75000000000000 0.67010183654974 15.999 > 95 97 O 0.31011493444143 0.86991545855520 0.50765677477237 15.999 > 97 98 O 0.81011493444143 0.86991545855520 0.50765677477237 15.999 > 97 99 O 0.06011493444143 0.63008454144480 0.99234322522763 15.999 > 99 100 O 0.56011493444143 0.63008454144480 0.99234322522763 15.999 > 99 101 O 0.43988506555857 0.13008454144480 0.00765677477237 15.999 > 101 102 O 0.93988506555857 0.13008454144480 0.00765677477237 15.999 > 101 103 O 0.18988506555857 0.36991545855520 0.49234322522763 15.999 > 103 104 O 0.68988506555857 0.36991545855520 0.49234322522763 15.999 > 103 105 O 0.18988506555857 0.13008454144480 0.49234322522763 15.999 > 105 106 O 0.68988506555857 0.13008454144480 0.49234322522763 15.999 > 105 107 O 0.43988506555857 0.36991545855520 0.00765677477237 15.999 > 107 108 O 0.93988506555857 0.36991545855520 0.00765677477237 15.999 > 107 109 O 0.06011493444143 0.86991545855520 0.99234322522763 15.999 > 109 110 O 0.56011493444143 0.86991545855520 0.99234322522763 15.999 > 109 111 O 0.31011493444143 0.63008454144480 0.50765677477237 15.999 > 111 112 O 0.81011493444143 0.63008454144480 0.50765677477237 15.999 > 111 113 S 0.48307685362876 0.25000000000000 0.59302476208316 32.065 > 113 114 S 0.98307685362876 0.25000000000000 0.59302476208316 32.065 > 113 115 S 0.23307685362876 0.25000000000000 0.90697523791684 32.065 > 115 116 S 0.73307685362876 0.25000000000000 0.90697523791684 32.065 > 115 117 S 0.26692314637124 0.75000000000000 0.09302476208316 32.065 > 117 118 S 0.76692314637124 0.75000000000000 0.09302476208316 32.065 > 117 119 S 0.01692314637124 0.75000000000000 0.40697523791684 32.065 > 119 120 S 0.51692314637124 0.75000000000000 0.40697523791684 32.065 > 119 121 S 0.12978887940379 0.25000000000000 0.46428434372706 32.065 > 121 122 S 0.62978887940379 0.25000000000000 0.46428434372706 32.065 > 121 123 S 0.37978887940379 0.25000000000000 0.03571565627294 32.065 > 123 124 S 0.87978887940379 0.25000000000000 0.03571565627294 32.065 > 123 125 S 0.12021112059621 0.75000000000000 0.96428434372706 32.065 > 125 126 S 0.62021112059621 0.75000000000000 0.96428434372706 32.065 > 125 127 S 0.37021112059621 0.75000000000000 0.53571565627294 32.065 > 127 128 S 0.87021112059621 0.75000000000000 0.53571565627294 32.065 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6125348 0.0000000 0.0000000 0.0000000 2.5708114 0.0000000 0.0000000 0.0000000 2.6814662 -------------------------- Born effective charges -------------------------- 1 H 0.3979806 0.0884530 0.0524949 0.1240793 0.8088603 0.3899264 0.1047612 0.6263535 0.7237177 2 H 0.3979806 -0.0884530 -0.0524949 -0.1240793 0.8088603 0.3899264 -0.1047612 0.6263535 0.7237177 3 H 0.3979806 0.0884530 -0.0524949 0.1240793 0.8088603 -0.3899264 -0.1047612 -0.6263535 0.7237177 4 H 0.3979806 -0.0884530 0.0524949 -0.1240793 0.8088603 -0.3899264 0.1047612 -0.6263535 0.7237177 5 H 0.3979806 0.0884530 0.0524949 0.1240793 0.8088603 0.3899264 0.1047612 0.6263535 0.7237177 6 H 0.3979806 -0.0884530 -0.0524949 -0.1240793 0.8088603 0.3899264 -0.1047612 0.6263535 0.7237177 7 H 0.3979806 0.0884530 -0.0524949 0.1240793 0.8088603 -0.3899264 -0.1047612 -0.6263535 0.7237177 8 H 0.3979806 -0.0884530 0.0524949 -0.1240793 0.8088603 -0.3899264 0.1047612 -0.6263535 0.7237177 9 H 0.4515227 -0.0655065 0.2140228 -0.0584151 0.5135908 -0.2019026 0.1050033 -0.1305296 0.7511701 10 H 0.4515227 0.0655065 -0.2140228 0.0584151 0.5135908 -0.2019026 -0.1050033 -0.1305296 0.7511701 11 H 0.4515227 -0.0655065 -0.2140228 -0.0584151 0.5135908 0.2019026 -0.1050033 0.1305296 0.7511701 12 H 0.4515227 0.0655065 0.2140228 0.0584151 0.5135908 0.2019026 0.1050033 0.1305296 0.7511701 13 H 0.4515227 -0.0655065 0.2140228 -0.0584151 0.5135908 -0.2019026 0.1050033 -0.1305296 0.7511701 14 H 0.4515227 0.0655065 -0.2140228 0.0584151 0.5135908 -0.2019026 -0.1050033 -0.1305296 0.7511701 15 H 0.4515227 -0.0655065 -0.2140228 -0.0584151 0.5135908 0.2019026 -0.1050033 0.1305296 0.7511701 16 H 0.4515227 0.0655065 0.2140228 0.0584151 0.5135908 0.2019026 0.1050033 0.1305296 0.7511701 17 Li 1.2417095 -0.0442157 -0.0366676 0.0294659 1.2195058 0.1046037 0.0230668 -0.1334792 1.1326943 18 Li 1.2417095 0.0442157 0.0366676 -0.0294659 1.2195058 0.1046037 -0.0230668 -0.1334792 1.1326943 19 Li 1.2417095 -0.0442157 0.0366676 0.0294659 1.2195058 -0.1046037 -0.0230668 0.1334792 1.1326943 20 Li 1.2417095 0.0442157 -0.0366676 -0.0294659 1.2195058 -0.1046037 0.0230668 0.1334792 1.1326943 21 Li 1.2417095 -0.0442157 -0.0366676 0.0294659 1.2195058 0.1046037 0.0230668 -0.1334792 1.1326943 22 Li 1.2417095 0.0442157 0.0366676 -0.0294659 1.2195058 0.1046037 -0.0230668 -0.1334792 1.1326943 23 Li 1.2417095 -0.0442157 0.0366676 0.0294659 1.2195058 -0.1046037 -0.0230668 0.1334792 1.1326943 24 Li 1.2417095 0.0442157 -0.0366676 -0.0294659 1.2195058 -0.1046037 0.0230668 0.1334792 1.1326943 25 O -0.9919604 0.0513808 0.1168000 0.0452578 -1.0969729 -0.1031401 0.0893001 -0.3073394 -1.1784866 26 O -0.9919604 -0.0513808 -0.1168000 -0.0452578 -1.0969729 -0.1031401 -0.0893001 -0.3073394 -1.1784866 27 O -0.9919604 0.0513808 -0.1168000 0.0452578 -1.0969729 0.1031401 -0.0893001 0.3073394 -1.1784866 28 O -0.9919604 -0.0513808 0.1168000 -0.0452578 -1.0969729 0.1031401 0.0893001 0.3073394 -1.1784866 29 O -0.9919604 0.0513808 0.1168000 0.0452578 -1.0969729 -0.1031401 0.0893001 -0.3073394 -1.1784866 30 O -0.9919604 -0.0513808 -0.1168000 -0.0452578 -1.0969729 -0.1031401 -0.0893001 -0.3073394 -1.1784866 31 O -0.9919604 0.0513808 -0.1168000 0.0452578 -1.0969729 0.1031401 -0.0893001 0.3073394 -1.1784866 32 O -0.9919604 -0.0513808 0.1168000 -0.0452578 -1.0969729 0.1031401 0.0893001 0.3073394 -1.1784866 33 O -0.9902953 0.0000000 -0.0576648 0.0000000 -0.9143479 0.0000000 -0.2423799 0.0000000 -2.2000215 34 O -0.9902953 0.0000000 0.0576648 0.0000000 -0.9143479 0.0000000 0.2423799 0.0000000 -2.2000215 35 O -0.9902953 0.0000000 0.0576648 0.0000000 -0.9143479 0.0000000 0.2423799 0.0000000 -2.2000215 36 O -0.9902953 0.0000000 -0.0576648 0.0000000 -0.9143479 0.0000000 -0.2423799 0.0000000 -2.2000215 37 O -1.4567668 -0.7407717 -0.0862527 -0.5196692 -1.5459827 -0.2064874 0.1093761 -0.1653024 -1.0507632 38 O -1.4567668 0.7407717 0.0862527 0.5196692 -1.5459827 -0.2064874 -0.1093761 -0.1653024 -1.0507632 39 O -1.4567668 -0.7407717 0.0862527 -0.5196692 -1.5459827 0.2064874 -0.1093761 0.1653024 -1.0507632 40 O -1.4567668 0.7407717 -0.0862527 0.5196692 -1.5459827 0.2064874 0.1093761 0.1653024 -1.0507632 41 O -1.4567668 -0.7407717 -0.0862527 -0.5196692 -1.5459827 -0.2064874 0.1093761 -0.1653024 -1.0507632 42 O -1.4567668 0.7407717 0.0862527 0.5196692 -1.5459827 -0.2064874 -0.1093761 -0.1653024 -1.0507632 43 O -1.4567668 -0.7407717 0.0862527 -0.5196692 -1.5459827 0.2064874 -0.1093761 0.1653024 -1.0507632 44 O -1.4567668 0.7407717 -0.0862527 0.5196692 -1.5459827 0.2064874 0.1093761 0.1653024 -1.0507632 45 O -0.8631217 0.0000000 0.0233925 0.0000000 -1.1774504 0.0000000 -0.2651118 0.0000000 -2.3280621 46 O -0.8631217 0.0000000 -0.0233925 0.0000000 -1.1774504 0.0000000 0.2651118 0.0000000 -2.3280621 47 O -0.8631217 0.0000000 -0.0233925 0.0000000 -1.1774504 0.0000000 0.2651118 0.0000000 -2.3280621 48 O -0.8631217 0.0000000 0.0233925 0.0000000 -1.1774504 0.0000000 -0.2651118 0.0000000 -2.3280621 49 O -1.3752043 0.6840945 -0.0799914 0.4905601 -1.5362364 0.1386097 -0.0229597 0.0269356 -0.9952521 50 O -1.3752043 -0.6840945 0.0799914 -0.4905601 -1.5362364 0.1386097 0.0229597 0.0269356 -0.9952521 51 O -1.3752043 0.6840945 0.0799914 0.4905601 -1.5362364 -0.1386097 0.0229597 -0.0269356 -0.9952521 52 O -1.3752043 -0.6840945 -0.0799914 -0.4905601 -1.5362364 -0.1386097 -0.0229597 -0.0269356 -0.9952521 53 O -1.3752043 0.6840945 -0.0799914 0.4905601 -1.5362364 0.1386097 -0.0229597 0.0269356 -0.9952521 54 O -1.3752043 -0.6840945 0.0799914 -0.4905601 -1.5362364 0.1386097 0.0229597 0.0269356 -0.9952521 55 O -1.3752043 0.6840945 0.0799914 0.4905601 -1.5362364 -0.1386097 0.0229597 -0.0269356 -0.9952521 56 O -1.3752043 -0.6840945 -0.0799914 -0.4905601 -1.5362364 -0.1386097 -0.0229597 -0.0269356 -0.9952521 57 S 2.6908897 0.0000000 0.0196548 0.0000000 2.7571937 0.0000000 -0.0823962 0.0000000 2.8522617 58 S 2.6908897 0.0000000 -0.0196548 0.0000000 2.7571937 0.0000000 0.0823962 0.0000000 2.8522617 59 S 2.6908897 0.0000000 -0.0196548 0.0000000 2.7571937 0.0000000 0.0823962 0.0000000 2.8522617 60 S 2.6908897 0.0000000 0.0196548 0.0000000 2.7571937 0.0000000 -0.0823962 0.0000000 2.8522617 61 S 2.6279649 0.0000000 0.0150422 0.0000000 2.6090750 0.0000000 0.3035663 0.0000000 2.9096615 62 S 2.6279649 0.0000000 -0.0150422 0.0000000 2.6090750 0.0000000 -0.3035663 0.0000000 2.9096615 63 S 2.6279649 0.0000000 -0.0150422 0.0000000 2.6090750 0.0000000 -0.3035663 0.0000000 2.9096615 64 S 2.6279649 0.0000000 0.0150422 0.0000000 2.6090750 0.0000000 0.3035663 0.0000000 2.9096615 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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[ 121, 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:53:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:53:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.001845480000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286914040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.958795560000000 Atomic positions (fractional): 1 H 0.29789643718130 0.61050415770557 0.74739635245087 1.008 2 H 0.79789643718130 0.88949584229443 0.75260364754913 1.008 3 H 0.20210356281870 0.38949584229443 0.24739635245087 1.008 4 H 0.70210356281870 0.11050415770557 0.25260364754913 1.008 5 H 0.70210356281870 0.38949584229443 0.25260364754913 1.008 6 H 0.20210356281870 0.11050415770557 0.24739635245087 1.008 7 H 0.79789643718130 0.61050415770557 0.75260364754913 1.008 8 H 0.29789643718130 0.88949584229443 0.74739635245087 1.008 9 H 0.20289177313903 0.55091552542372 0.61427208579915 1.008 10 H 0.70289177313903 0.94908447457628 0.88572791420085 1.008 11 H 0.29710822686097 0.44908447457628 0.11427208579915 1.008 12 H 0.79710822686097 0.05091552542372 0.38572791420085 1.008 13 H 0.79710822686097 0.44908447457628 0.38572791420085 1.008 14 H 0.29710822686097 0.05091552542372 0.11427208579915 1.008 15 H 0.70289177313903 0.55091552542372 0.88572791420085 1.008 16 H 0.20289177313903 0.94908447457628 0.61427208579915 1.008 17 Li 0.94262951674473 0.93251788773188 0.16275328974159 6.941 18 Li 0.44262951674473 0.56748211226812 0.33724671025841 6.941 19 Li 0.55737048325527 0.06748211226812 0.66275328974159 6.941 20 Li 0.05737048325527 0.43251788773188 0.83724671025841 6.941 21 Li 0.05737048325527 0.06748211226812 0.83724671025841 6.941 22 Li 0.55737048325527 0.43251788773188 0.66275328974159 6.941 23 Li 0.44262951674473 0.93251788773188 0.33724671025841 6.941 24 Li 0.94262951674473 0.56748211226812 0.16275328974159 6.941 25 O 0.76068529898440 0.97393037022307 0.79643812009958 15.999 26 O 0.26068529898440 0.52606962977693 0.70356187990042 15.999 27 O 0.73931470101560 0.02606962977693 0.29643812009958 15.999 28 O 0.23931470101560 0.47393037022307 0.20356187990042 15.999 29 O 0.23931470101560 0.02606962977693 0.20356187990042 15.999 30 O 0.73931470101560 0.47393037022307 0.29643812009958 15.999 31 O 0.26068529898440 0.97393037022307 0.70356187990042 15.999 32 O 0.76068529898440 0.52606962977693 0.79643812009958 15.999 33 O 0.04384067587951 0.25000000000000 0.73308955608367 15.999 34 O 0.54384067587951 0.25000000000000 0.76691044391633 15.999 35 O 0.45615932412049 0.75000000000000 0.23308955608367 15.999 36 O 0.95615932412049 0.75000000000000 0.26691044391633 15.999 37 O 0.14782001244242 0.87036832824139 0.44447734374972 15.999 38 O 0.64782001244242 0.62963167175861 0.05552265625028 15.999 39 O 0.35217998755758 0.12963167175861 0.94447734374972 15.999 40 O 0.85217998755758 0.37036832824139 0.55552265625028 15.999 41 O 0.85217998755758 0.12963167175861 0.55552265625028 15.999 42 O 0.35217998755758 0.37036832824139 0.94447734374972 15.999 43 O 0.64782001244242 0.87036832824139 0.05552265625028 15.999 44 O 0.14782001244242 0.62963167175861 0.44447734374972 15.999 45 O 0.15476642245034 0.25000000000000 0.32989816345026 15.999 46 O 0.65476642245034 0.25000000000000 0.17010183654974 15.999 47 O 0.34523357754966 0.75000000000000 0.82989816345026 15.999 48 O 0.84523357754966 0.75000000000000 0.67010183654974 15.999 49 O 0.62022986888286 0.86991545855520 0.50765677477237 15.999 50 O 0.12022986888286 0.63008454144480 0.99234322522763 15.999 51 O 0.87977013111714 0.13008454144480 0.00765677477237 15.999 52 O 0.37977013111714 0.36991545855520 0.49234322522763 15.999 53 O 0.37977013111714 0.13008454144480 0.49234322522763 15.999 54 O 0.87977013111714 0.36991545855520 0.00765677477237 15.999 55 O 0.12022986888286 0.86991545855520 0.99234322522763 15.999 56 O 0.62022986888286 0.63008454144480 0.50765677477237 15.999 57 S 0.96615370725753 0.25000000000000 0.59302476208316 32.065 58 S 0.46615370725753 0.25000000000000 0.90697523791684 32.065 59 S 0.53384629274247 0.75000000000000 0.09302476208316 32.065 60 S 0.03384629274247 0.75000000000000 0.40697523791684 32.065 61 S 0.25957775880757 0.25000000000000 0.46428434372706 32.065 62 S 0.75957775880757 0.25000000000000 0.03571565627294 32.065 63 S 0.24042224119243 0.75000000000000 0.96428434372706 32.065 64 S 0.74042224119243 0.75000000000000 0.53571565627294 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.003690960000004 0.000000000000000 0.000000000000000 b 0.000000000000000 10.286914040000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.958795560000000 Atomic positions (fractional): 1 H 0.14894821859065 0.61050415770557 0.74739635245087 1.008 > 1 2 H 0.64894821859065 0.61050415770557 0.74739635245087 1.008 > 1 3 H 0.39894821859065 0.88949584229443 0.75260364754913 1.008 > 3 4 H 0.89894821859065 0.88949584229443 0.75260364754913 1.008 > 3 5 H 0.10105178140935 0.38949584229443 0.24739635245087 1.008 > 5 6 H 0.60105178140935 0.38949584229443 0.24739635245087 1.008 > 5 7 H 0.35105178140935 0.11050415770557 0.25260364754913 1.008 > 7 8 H 0.85105178140935 0.11050415770557 0.25260364754913 1.008 > 7 9 H 0.35105178140935 0.38949584229443 0.25260364754913 1.008 > 9 10 H 0.85105178140935 0.38949584229443 0.25260364754913 1.008 > 9 11 H 0.10105178140935 0.11050415770557 0.24739635245087 1.008 > 11 12 H 0.60105178140935 0.11050415770557 0.24739635245087 1.008 > 11 13 H 0.39894821859065 0.61050415770557 0.75260364754913 1.008 > 13 14 H 0.89894821859065 0.61050415770557 0.75260364754913 1.008 > 13 15 H 0.14894821859065 0.88949584229443 0.74739635245087 1.008 > 15 16 H 0.64894821859065 0.88949584229443 0.74739635245087 1.008 > 15 17 H 0.10144588656952 0.55091552542372 0.61427208579915 1.008 > 17 18 H 0.60144588656952 0.55091552542372 0.61427208579915 1.008 > 17 19 H 0.35144588656952 0.94908447457628 0.88572791420085 1.008 > 19 20 H 0.85144588656952 0.94908447457628 0.88572791420085 1.008 > 19 21 H 0.14855411343048 0.44908447457628 0.11427208579915 1.008 > 21 22 H 0.64855411343048 0.44908447457628 0.11427208579915 1.008 > 21 23 H 0.39855411343048 0.05091552542372 0.38572791420085 1.008 > 23 24 H 0.89855411343048 0.05091552542372 0.38572791420085 1.008 > 23 25 H 0.39855411343048 0.44908447457628 0.38572791420085 1.008 > 25 26 H 0.89855411343048 0.44908447457628 0.38572791420085 1.008 > 25 27 H 0.14855411343048 0.05091552542372 0.11427208579915 1.008 > 27 28 H 0.64855411343048 0.05091552542372 0.11427208579915 1.008 > 27 29 H 0.35144588656952 0.55091552542372 0.88572791420085 1.008 > 29 30 H 0.85144588656952 0.55091552542372 0.88572791420085 1.008 > 29 31 H 0.10144588656952 0.94908447457628 0.61427208579915 1.008 > 31 32 H 0.60144588656952 0.94908447457628 0.61427208579915 1.008 > 31 33 Li 0.47131475837236 0.93251788773188 0.16275328974159 6.941 > 33 34 Li 0.97131475837236 0.93251788773188 0.16275328974159 6.941 > 33 35 Li 0.22131475837237 0.56748211226812 0.33724671025841 6.941 > 35 36 Li 0.72131475837237 0.56748211226812 0.33724671025841 6.941 > 35 37 Li 0.27868524162764 0.06748211226812 0.66275328974159 6.941 > 37 38 Li 0.77868524162764 0.06748211226812 0.66275328974159 6.941 > 37 39 Li 0.02868524162763 0.43251788773188 0.83724671025841 6.941 > 39 40 Li 0.52868524162763 0.43251788773188 0.83724671025841 6.941 > 39 41 Li 0.02868524162763 0.06748211226812 0.83724671025841 6.941 > 41 42 Li 0.52868524162763 0.06748211226812 0.83724671025841 6.941 > 41 43 Li 0.27868524162764 0.43251788773188 0.66275328974159 6.941 > 43 44 Li 0.77868524162764 0.43251788773188 0.66275328974159 6.941 > 43 45 Li 0.22131475837237 0.93251788773188 0.33724671025841 6.941 > 45 46 Li 0.72131475837237 0.93251788773188 0.33724671025841 6.941 > 45 47 Li 0.47131475837236 0.56748211226812 0.16275328974159 6.941 > 47 48 Li 0.97131475837236 0.56748211226812 0.16275328974159 6.941 > 47 49 O 0.38034264949220 0.97393037022307 0.79643812009958 15.999 > 49 50 O 0.88034264949220 0.97393037022307 0.79643812009958 15.999 > 49 51 O 0.13034264949220 0.52606962977693 0.70356187990042 15.999 > 51 52 O 0.63034264949220 0.52606962977693 0.70356187990042 15.999 > 51 53 O 0.36965735050780 0.02606962977693 0.29643812009958 15.999 > 53 54 O 0.86965735050780 0.02606962977693 0.29643812009958 15.999 > 53 55 O 0.11965735050780 0.47393037022307 0.20356187990042 15.999 > 55 56 O 0.61965735050780 0.47393037022307 0.20356187990042 15.999 > 55 57 O 0.11965735050780 0.02606962977693 0.20356187990042 15.999 > 57 58 O 0.61965735050780 0.02606962977693 0.20356187990042 15.999 > 57 59 O 0.36965735050780 0.47393037022307 0.29643812009958 15.999 > 59 60 O 0.86965735050780 0.47393037022307 0.29643812009958 15.999 > 59 61 O 0.13034264949220 0.97393037022307 0.70356187990042 15.999 > 61 62 O 0.63034264949220 0.97393037022307 0.70356187990042 15.999 > 61 63 O 0.38034264949220 0.52606962977693 0.79643812009958 15.999 > 63 64 O 0.88034264949220 0.52606962977693 0.79643812009958 15.999 > 63 65 O 0.02192033793975 0.25000000000000 0.73308955608367 15.999 > 65 66 O 0.52192033793975 0.25000000000000 0.73308955608367 15.999 > 65 67 O 0.27192033793975 0.25000000000000 0.76691044391633 15.999 > 67 68 O 0.77192033793975 0.25000000000000 0.76691044391633 15.999 > 67 69 O 0.22807966206025 0.75000000000000 0.23308955608367 15.999 > 69 70 O 0.72807966206025 0.75000000000000 0.23308955608367 15.999 > 69 71 O 0.47807966206025 0.75000000000000 0.26691044391633 15.999 > 71 72 O 0.97807966206025 0.75000000000000 0.26691044391633 15.999 > 71 73 O 0.07391000622121 0.87036832824139 0.44447734374972 15.999 > 73 74 O 0.57391000622121 0.87036832824139 0.44447734374972 15.999 > 73 75 O 0.32391000622121 0.62963167175861 0.05552265625028 15.999 > 75 76 O 0.82391000622121 0.62963167175861 0.05552265625028 15.999 > 75 77 O 0.17608999377879 0.12963167175861 0.94447734374972 15.999 > 77 78 O 0.67608999377879 0.12963167175861 0.94447734374972 15.999 > 77 79 O 0.42608999377879 0.37036832824139 0.55552265625028 15.999 > 79 80 O 0.92608999377879 0.37036832824139 0.55552265625028 15.999 > 79 81 O 0.42608999377879 0.12963167175861 0.55552265625028 15.999 > 81 82 O 0.92608999377879 0.12963167175861 0.55552265625028 15.999 > 81 83 O 0.17608999377879 0.37036832824139 0.94447734374972 15.999 > 83 84 O 0.67608999377879 0.37036832824139 0.94447734374972 15.999 > 83 85 O 0.32391000622121 0.87036832824139 0.05552265625028 15.999 > 85 86 O 0.82391000622121 0.87036832824139 0.05552265625028 15.999 > 85 87 O 0.07391000622121 0.62963167175861 0.44447734374972 15.999 > 87 88 O 0.57391000622121 0.62963167175861 0.44447734374972 15.999 > 87 89 O 0.07738321122517 0.25000000000000 0.32989816345026 15.999 > 89 90 O 0.57738321122517 0.25000000000000 0.32989816345026 15.999 > 89 91 O 0.32738321122517 0.25000000000000 0.17010183654974 15.999 > 91 92 O 0.82738321122517 0.25000000000000 0.17010183654974 15.999 > 91 93 O 0.17261678877483 0.75000000000000 0.82989816345026 15.999 > 93 94 O 0.67261678877483 0.75000000000000 0.82989816345026 15.999 > 93 95 O 0.42261678877483 0.75000000000000 0.67010183654974 15.999 > 95 96 O 0.92261678877483 0.75000000000000 0.67010183654974 15.999 > 95 97 O 0.31011493444143 0.86991545855520 0.50765677477237 15.999 > 97 98 O 0.81011493444143 0.86991545855520 0.50765677477237 15.999 > 97 99 O 0.06011493444143 0.63008454144480 0.99234322522763 15.999 > 99 100 O 0.56011493444143 0.63008454144480 0.99234322522763 15.999 > 99 101 O 0.43988506555857 0.13008454144480 0.00765677477237 15.999 > 101 102 O 0.93988506555857 0.13008454144480 0.00765677477237 15.999 > 101 103 O 0.18988506555857 0.36991545855520 0.49234322522763 15.999 > 103 104 O 0.68988506555857 0.36991545855520 0.49234322522763 15.999 > 103 105 O 0.18988506555857 0.13008454144480 0.49234322522763 15.999 > 105 106 O 0.68988506555857 0.13008454144480 0.49234322522763 15.999 > 105 107 O 0.43988506555857 0.36991545855520 0.00765677477237 15.999 > 107 108 O 0.93988506555857 0.36991545855520 0.00765677477237 15.999 > 107 109 O 0.06011493444143 0.86991545855520 0.99234322522763 15.999 > 109 110 O 0.56011493444143 0.86991545855520 0.99234322522763 15.999 > 109 111 O 0.31011493444143 0.63008454144480 0.50765677477237 15.999 > 111 112 O 0.81011493444143 0.63008454144480 0.50765677477237 15.999 > 111 113 S 0.48307685362876 0.25000000000000 0.59302476208316 32.065 > 113 114 S 0.98307685362876 0.25000000000000 0.59302476208316 32.065 > 113 115 S 0.23307685362876 0.25000000000000 0.90697523791684 32.065 > 115 116 S 0.73307685362876 0.25000000000000 0.90697523791684 32.065 > 115 117 S 0.26692314637124 0.75000000000000 0.09302476208316 32.065 > 117 118 S 0.76692314637124 0.75000000000000 0.09302476208316 32.065 > 117 119 S 0.01692314637124 0.75000000000000 0.40697523791684 32.065 > 119 120 S 0.51692314637124 0.75000000000000 0.40697523791684 32.065 > 119 121 S 0.12978887940379 0.25000000000000 0.46428434372706 32.065 > 121 122 S 0.62978887940379 0.25000000000000 0.46428434372706 32.065 > 121 123 S 0.37978887940379 0.25000000000000 0.03571565627294 32.065 > 123 124 S 0.87978887940379 0.25000000000000 0.03571565627294 32.065 > 123 125 S 0.12021112059621 0.75000000000000 0.96428434372706 32.065 > 125 126 S 0.62021112059621 0.75000000000000 0.96428434372706 32.065 > 125 127 S 0.37021112059621 0.75000000000000 0.53571565627294 32.065 > 127 128 S 0.87021112059621 0.75000000000000 0.53571565627294 32.065 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6125348 0.0000000 0.0000000 0.0000000 2.5708114 0.0000000 0.0000000 0.0000000 2.6814662 -------------------------- Born effective charges -------------------------- 1 H 0.3979806 0.0884530 0.0524949 0.1240793 0.8088603 0.3899264 0.1047612 0.6263535 0.7237177 2 H 0.3979806 -0.0884530 -0.0524949 -0.1240793 0.8088603 0.3899264 -0.1047612 0.6263535 0.7237177 3 H 0.3979806 0.0884530 -0.0524949 0.1240793 0.8088603 -0.3899264 -0.1047612 -0.6263535 0.7237177 4 H 0.3979806 -0.0884530 0.0524949 -0.1240793 0.8088603 -0.3899264 0.1047612 -0.6263535 0.7237177 5 H 0.3979806 0.0884530 0.0524949 0.1240793 0.8088603 0.3899264 0.1047612 0.6263535 0.7237177 6 H 0.3979806 -0.0884530 -0.0524949 -0.1240793 0.8088603 0.3899264 -0.1047612 0.6263535 0.7237177 7 H 0.3979806 0.0884530 -0.0524949 0.1240793 0.8088603 -0.3899264 -0.1047612 -0.6263535 0.7237177 8 H 0.3979806 -0.0884530 0.0524949 -0.1240793 0.8088603 -0.3899264 0.1047612 -0.6263535 0.7237177 9 H 0.4515227 -0.0655065 0.2140228 -0.0584151 0.5135908 -0.2019026 0.1050033 -0.1305296 0.7511701 10 H 0.4515227 0.0655065 -0.2140228 0.0584151 0.5135908 -0.2019026 -0.1050033 -0.1305296 0.7511701 11 H 0.4515227 -0.0655065 -0.2140228 -0.0584151 0.5135908 0.2019026 -0.1050033 0.1305296 0.7511701 12 H 0.4515227 0.0655065 0.2140228 0.0584151 0.5135908 0.2019026 0.1050033 0.1305296 0.7511701 13 H 0.4515227 -0.0655065 0.2140228 -0.0584151 0.5135908 -0.2019026 0.1050033 -0.1305296 0.7511701 14 H 0.4515227 0.0655065 -0.2140228 0.0584151 0.5135908 -0.2019026 -0.1050033 -0.1305296 0.7511701 15 H 0.4515227 -0.0655065 -0.2140228 -0.0584151 0.5135908 0.2019026 -0.1050033 0.1305296 0.7511701 16 H 0.4515227 0.0655065 0.2140228 0.0584151 0.5135908 0.2019026 0.1050033 0.1305296 0.7511701 17 Li 1.2417095 -0.0442157 -0.0366676 0.0294659 1.2195058 0.1046037 0.0230668 -0.1334792 1.1326943 18 Li 1.2417095 0.0442157 0.0366676 -0.0294659 1.2195058 0.1046037 -0.0230668 -0.1334792 1.1326943 19 Li 1.2417095 -0.0442157 0.0366676 0.0294659 1.2195058 -0.1046037 -0.0230668 0.1334792 1.1326943 20 Li 1.2417095 0.0442157 -0.0366676 -0.0294659 1.2195058 -0.1046037 0.0230668 0.1334792 1.1326943 21 Li 1.2417095 -0.0442157 -0.0366676 0.0294659 1.2195058 0.1046037 0.0230668 -0.1334792 1.1326943 22 Li 1.2417095 0.0442157 0.0366676 -0.0294659 1.2195058 0.1046037 -0.0230668 -0.1334792 1.1326943 23 Li 1.2417095 -0.0442157 0.0366676 0.0294659 1.2195058 -0.1046037 -0.0230668 0.1334792 1.1326943 24 Li 1.2417095 0.0442157 -0.0366676 -0.0294659 1.2195058 -0.1046037 0.0230668 0.1334792 1.1326943 25 O -0.9919604 0.0513808 0.1168000 0.0452578 -1.0969729 -0.1031401 0.0893001 -0.3073394 -1.1784866 26 O -0.9919604 -0.0513808 -0.1168000 -0.0452578 -1.0969729 -0.1031401 -0.0893001 -0.3073394 -1.1784866 27 O -0.9919604 0.0513808 -0.1168000 0.0452578 -1.0969729 0.1031401 -0.0893001 0.3073394 -1.1784866 28 O -0.9919604 -0.0513808 0.1168000 -0.0452578 -1.0969729 0.1031401 0.0893001 0.3073394 -1.1784866 29 O -0.9919604 0.0513808 0.1168000 0.0452578 -1.0969729 -0.1031401 0.0893001 -0.3073394 -1.1784866 30 O -0.9919604 -0.0513808 -0.1168000 -0.0452578 -1.0969729 -0.1031401 -0.0893001 -0.3073394 -1.1784866 31 O -0.9919604 0.0513808 -0.1168000 0.0452578 -1.0969729 0.1031401 -0.0893001 0.3073394 -1.1784866 32 O -0.9919604 -0.0513808 0.1168000 -0.0452578 -1.0969729 0.1031401 0.0893001 0.3073394 -1.1784866 33 O -0.9902953 0.0000000 -0.0576648 0.0000000 -0.9143479 0.0000000 -0.2423799 0.0000000 -2.2000215 34 O -0.9902953 0.0000000 0.0576648 0.0000000 -0.9143479 0.0000000 0.2423799 0.0000000 -2.2000215 35 O -0.9902953 0.0000000 0.0576648 0.0000000 -0.9143479 0.0000000 0.2423799 0.0000000 -2.2000215 36 O -0.9902953 0.0000000 -0.0576648 0.0000000 -0.9143479 0.0000000 -0.2423799 0.0000000 -2.2000215 37 O -1.4567668 -0.7407717 -0.0862527 -0.5196692 -1.5459827 -0.2064874 0.1093761 -0.1653024 -1.0507632 38 O -1.4567668 0.7407717 0.0862527 0.5196692 -1.5459827 -0.2064874 -0.1093761 -0.1653024 -1.0507632 39 O -1.4567668 -0.7407717 0.0862527 -0.5196692 -1.5459827 0.2064874 -0.1093761 0.1653024 -1.0507632 40 O -1.4567668 0.7407717 -0.0862527 0.5196692 -1.5459827 0.2064874 0.1093761 0.1653024 -1.0507632 41 O -1.4567668 -0.7407717 -0.0862527 -0.5196692 -1.5459827 -0.2064874 0.1093761 -0.1653024 -1.0507632 42 O -1.4567668 0.7407717 0.0862527 0.5196692 -1.5459827 -0.2064874 -0.1093761 -0.1653024 -1.0507632 43 O -1.4567668 -0.7407717 0.0862527 -0.5196692 -1.5459827 0.2064874 -0.1093761 0.1653024 -1.0507632 44 O -1.4567668 0.7407717 -0.0862527 0.5196692 -1.5459827 0.2064874 0.1093761 0.1653024 -1.0507632 45 O -0.8631217 0.0000000 0.0233925 0.0000000 -1.1774504 0.0000000 -0.2651118 0.0000000 -2.3280621 46 O -0.8631217 0.0000000 -0.0233925 0.0000000 -1.1774504 0.0000000 0.2651118 0.0000000 -2.3280621 47 O -0.8631217 0.0000000 -0.0233925 0.0000000 -1.1774504 0.0000000 0.2651118 0.0000000 -2.3280621 48 O -0.8631217 0.0000000 0.0233925 0.0000000 -1.1774504 0.0000000 -0.2651118 0.0000000 -2.3280621 49 O -1.3752043 0.6840945 -0.0799914 0.4905601 -1.5362364 0.1386097 -0.0229597 0.0269356 -0.9952521 50 O -1.3752043 -0.6840945 0.0799914 -0.4905601 -1.5362364 0.1386097 0.0229597 0.0269356 -0.9952521 51 O -1.3752043 0.6840945 0.0799914 0.4905601 -1.5362364 -0.1386097 0.0229597 -0.0269356 -0.9952521 52 O -1.3752043 -0.6840945 -0.0799914 -0.4905601 -1.5362364 -0.1386097 -0.0229597 -0.0269356 -0.9952521 53 O -1.3752043 0.6840945 -0.0799914 0.4905601 -1.5362364 0.1386097 -0.0229597 0.0269356 -0.9952521 54 O -1.3752043 -0.6840945 0.0799914 -0.4905601 -1.5362364 0.1386097 0.0229597 0.0269356 -0.9952521 55 O -1.3752043 0.6840945 0.0799914 0.4905601 -1.5362364 -0.1386097 0.0229597 -0.0269356 -0.9952521 56 O -1.3752043 -0.6840945 -0.0799914 -0.4905601 -1.5362364 -0.1386097 -0.0229597 -0.0269356 -0.9952521 57 S 2.6908897 0.0000000 0.0196548 0.0000000 2.7571937 0.0000000 -0.0823962 0.0000000 2.8522617 58 S 2.6908897 0.0000000 -0.0196548 0.0000000 2.7571937 0.0000000 0.0823962 0.0000000 2.8522617 59 S 2.6908897 0.0000000 -0.0196548 0.0000000 2.7571937 0.0000000 0.0823962 0.0000000 2.8522617 60 S 2.6908897 0.0000000 0.0196548 0.0000000 2.7571937 0.0000000 -0.0823962 0.0000000 2.8522617 61 S 2.6279649 0.0000000 0.0150422 0.0000000 2.6090750 0.0000000 0.3035663 0.0000000 2.9096615 62 S 2.6279649 0.0000000 -0.0150422 0.0000000 2.6090750 0.0000000 -0.3035663 0.0000000 2.9096615 63 S 2.6279649 0.0000000 -0.0150422 0.0000000 2.6090750 0.0000000 -0.3035663 0.0000000 2.9096615 64 S 2.6279649 0.0000000 0.0150422 0.0000000 2.6090750 0.0000000 0.3035663 0.0000000 2.9096615 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (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 ... [ 8 5 5 ] 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: 0.49, Number of G-points: 291, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 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 2.188 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 5.989 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.349 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.702 ( 0.000 0.000 0.000) 0.000 9.312 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 9.705 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 9.734 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.941 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.250 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 10.405 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 11.164 ( 0.000 0.000 0.000) 0.000 11.538 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 11.629 ( 0.000 0.000 0.000) 0.000 11.650 ( 0.000 0.000 0.000) 0.000 11.712 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 12.463 ( 0.000 0.000 0.000) 0.000 14.192 ( 0.000 0.000 0.000) 0.000 14.267 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 15.147 ( 0.000 0.000 0.000) 0.000 15.287 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 0.000 0.000) 0.000 15.395 ( 0.000 0.000 0.000) 0.000 15.547 ( 0.000 0.000 0.000) 0.000 15.567 ( 0.000 0.000 0.000) 0.000 15.629 ( 0.000 0.000 0.000) 0.000 15.795 ( 0.000 0.000 0.000) 0.000 15.811 ( 0.000 0.000 0.000) 0.000 15.874 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.065 ( 0.000 0.000 0.000) 0.000 16.184 ( 0.000 0.000 0.000) 0.000 16.363 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 16.591 ( 0.000 0.000 0.000) 0.000 17.043 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.474 ( 0.000 0.000 0.000) 0.000 17.520 ( 0.000 0.000 0.000) 0.000 17.819 ( 0.000 0.000 0.000) 0.000 17.867 ( 0.000 0.000 0.000) 0.000 18.029 ( 0.000 0.000 0.000) 0.000 18.254 ( 0.000 0.000 0.000) 0.000 19.850 ( 0.000 0.000 0.000) 0.000 19.889 ( 0.000 0.000 0.000) 0.000 19.929 ( 0.000 0.000 0.000) 0.000 19.939 ( 0.000 0.000 0.000) 0.000 21.029 ( 0.000 0.000 0.000) 0.000 21.177 ( 0.000 0.000 0.000) 0.000 21.178 ( 0.000 0.000 0.000) 0.000 21.509 ( 0.000 0.000 0.000) 0.000 22.443 ( 0.000 0.000 0.000) 0.000 22.484 ( 0.000 0.000 0.000) 0.000 22.539 ( 0.000 0.000 0.000) 0.000 22.655 ( 0.000 0.000 0.000) 0.000 23.548 ( 0.000 0.000 0.000) 0.000 23.551 ( 0.000 0.000 0.000) 0.000 23.644 ( 0.000 0.000 0.000) 0.000 23.695 ( 0.000 0.000 0.000) 0.000 26.290 ( 0.000 0.000 0.000) 0.000 26.325 ( 0.000 0.000 0.000) 0.000 26.830 ( 0.000 0.000 0.000) 0.000 26.992 ( 0.000 0.000 0.000) 0.000 28.193 ( 0.000 0.000 0.000) 0.000 28.328 ( 0.000 0.000 0.000) 0.000 28.338 ( 0.000 0.000 0.000) 0.000 28.464 ( 0.000 0.000 0.000) 0.000 31.298 ( 0.000 0.000 0.000) 0.000 31.332 ( 0.000 0.000 0.000) 0.000 31.343 ( 0.000 0.000 0.000) 0.000 31.403 ( 0.000 0.000 0.000) 0.000 34.128 ( 0.000 0.000 0.000) 0.000 34.193 ( 0.000 0.000 0.000) 0.000 34.361 ( 0.000 0.000 0.000) 0.000 34.389 ( 0.000 0.000 0.000) 0.000 34.738 ( 0.000 0.000 0.000) 0.000 35.068 ( 0.000 0.000 0.000) 0.000 35.068 ( 0.000 0.000 0.000) 0.000 35.140 ( 0.000 0.000 0.000) 0.000 35.242 ( 0.000 0.000 0.000) 0.000 35.261 ( 0.000 0.000 0.000) 0.000 35.282 ( 0.000 0.000 0.000) 0.000 35.434 ( 0.000 0.000 0.000) 0.000 36.353 ( 0.000 0.000 0.000) 0.000 36.411 ( 0.000 0.000 0.000) 0.000 37.294 ( 0.000 0.000 0.000) 0.000 37.825 ( 0.000 0.000 0.000) 0.000 47.571 ( 0.000 0.000 0.000) 0.000 47.689 ( 0.000 0.000 0.000) 0.000 47.696 ( 0.000 0.000 0.000) 0.000 47.934 ( 0.000 0.000 0.000) 0.000 48.102 ( 0.000 0.000 0.000) 0.000 48.307 ( 0.000 0.000 0.000) 0.000 48.314 ( 0.000 0.000 0.000) 0.000 48.665 ( 0.000 0.000 0.000) 0.000 97.865 ( 0.000 0.000 0.000) 0.000 97.872 ( 0.000 0.000 0.000) 0.000 98.259 ( 0.000 0.000 0.000) 0.000 98.466 ( 0.000 0.000 0.000) 0.000 99.465 ( 0.000 0.000 0.000) 0.000 99.491 ( 0.000 0.000 0.000) 0.000 99.819 ( 0.000 0.000 0.000) 0.000 99.958 ( 0.000 0.000 0.000) 0.000 104.710 ( 0.000 0.000 0.000) 0.000 104.798 ( 0.000 0.000 0.000) 0.000 104.926 ( 0.000 0.000 0.000) 0.000 104.967 ( 0.000 0.000 0.000) 0.000 104.993 ( 0.000 0.000 0.000) 0.000 105.086 ( 0.000 0.000 0.000) 0.000 105.202 ( 0.000 0.000 0.000) 0.000 105.345 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.523 ( 24.737 0.000 0.000) 24.737 0.630 ( 30.075 0.000 0.000) 30.075 1.146 ( 53.120 0.000 0.000) 53.120 2.171 ( -8.679 0.000 0.000) 8.679 2.206 ( -0.625 0.000 0.000) 0.625 2.357 ( 14.219 0.000 0.000) 14.219 2.391 ( 5.366 0.000 0.000) 5.366 2.431 ( 3.698 0.000 0.000) 3.698 2.619 ( 8.334 0.000 0.000) 8.334 2.667 ( 14.846 0.000 0.000) 14.846 2.711 ( 1.786 0.000 0.000) 1.786 2.740 ( 7.571 0.000 0.000) 7.571 2.905 ( 12.323 0.000 0.000) 12.323 2.987 ( 5.473 0.000 0.000) 5.473 3.037 ( 9.537 0.000 0.000) 9.537 3.191 ( 1.422 0.000 0.000) 1.422 3.357 ( 10.311 0.000 0.000) 10.311 3.501 ( -0.530 0.000 0.000) 0.530 3.510 ( 12.181 0.000 0.000) 12.181 3.574 ( -0.111 0.000 0.000) 0.111 3.656 ( 1.736 0.000 0.000) 1.736 3.689 ( 4.616 0.000 0.000) 4.616 3.692 ( 2.232 0.000 0.000) 2.232 3.934 ( 1.948 0.000 0.000) 1.948 3.996 ( 9.475 0.000 0.000) 9.475 4.132 ( -2.547 0.000 0.000) 2.547 4.307 ( 0.323 0.000 0.000) 0.323 4.492 ( 2.974 0.000 0.000) 2.974 4.606 ( 2.925 0.000 0.000) 2.925 4.611 ( -9.030 0.000 0.000) 9.030 4.760 ( -0.414 0.000 0.000) 0.414 4.970 ( -5.844 0.000 0.000) 5.844 5.286 ( -5.353 0.000 0.000) 5.353 5.327 ( 7.278 0.000 0.000) 7.278 5.352 ( -5.921 0.000 0.000) 5.921 5.389 ( -1.928 0.000 0.000) 1.928 5.429 ( -0.181 0.000 0.000) 0.181 5.642 ( 4.545 0.000 0.000) 4.545 5.684 ( -12.600 0.000 0.000) 12.600 5.904 ( -7.215 0.000 0.000) 7.215 5.921 ( -0.951 0.000 0.000) 0.951 5.964 ( -2.891 0.000 0.000) 2.891 6.011 ( -2.301 0.000 0.000) 2.301 6.241 ( -2.680 0.000 0.000) 2.680 6.337 ( -9.374 0.000 0.000) 9.374 6.561 ( 2.517 0.000 0.000) 2.517 6.577 ( -11.395 0.000 0.000) 11.395 6.581 ( 4.390 0.000 0.000) 4.390 6.596 ( -7.880 0.000 0.000) 7.880 6.648 ( -5.706 0.000 0.000) 5.706 6.663 ( -5.781 0.000 0.000) 5.781 6.789 ( -2.133 0.000 0.000) 2.133 6.842 ( -2.584 0.000 0.000) 2.584 6.903 ( -8.078 0.000 0.000) 8.078 7.020 ( 3.902 0.000 0.000) 3.902 7.230 ( -0.368 0.000 0.000) 0.368 7.254 ( 3.741 0.000 0.000) 3.741 7.347 ( -0.693 0.000 0.000) 0.693 7.377 ( -7.741 0.000 0.000) 7.741 7.448 ( 2.813 0.000 0.000) 2.813 7.476 ( 5.892 0.000 0.000) 5.892 7.524 ( -2.998 0.000 0.000) 2.998 7.929 ( 1.740 0.000 0.000) 1.740 7.996 ( -4.003 0.000 0.000) 4.003 8.043 ( -0.882 0.000 0.000) 0.882 8.059 ( -4.822 0.000 0.000) 4.822 8.316 ( -0.676 0.000 0.000) 0.676 8.381 ( -2.508 0.000 0.000) 2.508 8.440 ( 1.082 0.000 0.000) 1.082 8.556 ( -1.242 0.000 0.000) 1.242 8.698 ( 4.075 0.000 0.000) 4.075 8.722 ( 1.213 0.000 0.000) 1.213 9.311 ( 0.148 0.000 0.000) 0.148 9.436 ( -2.460 0.000 0.000) 2.460 9.484 ( 0.646 0.000 0.000) 0.646 9.571 ( -5.481 0.000 0.000) 5.481 9.644 ( -5.296 0.000 0.000) 5.296 9.694 ( 3.118 0.000 0.000) 3.118 9.705 ( -2.588 0.000 0.000) 2.588 9.731 ( 1.235 0.000 0.000) 1.235 9.828 ( -3.700 0.000 0.000) 3.700 10.039 ( 4.876 0.000 0.000) 4.876 10.124 ( -0.498 0.000 0.000) 0.498 10.294 ( -1.048 0.000 0.000) 1.048 10.325 ( -6.540 0.000 0.000) 6.540 10.416 ( 12.059 0.000 0.000) 12.059 10.419 ( -5.916 0.000 0.000) 5.916 11.160 ( -0.295 0.000 0.000) 0.295 11.344 ( -10.485 0.000 0.000) 10.485 11.525 ( -15.658 0.000 0.000) 15.658 11.641 ( 4.721 0.000 0.000) 4.721 11.719 ( 0.601 0.000 0.000) 0.601 11.756 ( 8.879 0.000 0.000) 8.879 11.805 ( 7.062 0.000 0.000) 7.062 12.013 ( -0.689 0.000 0.000) 0.689 12.566 ( -5.506 0.000 0.000) 5.506 14.259 ( 5.935 0.000 0.000) 5.935 14.319 ( 4.663 0.000 0.000) 4.663 14.358 ( 5.216 0.000 0.000) 5.216 14.627 ( 2.557 0.000 0.000) 2.557 15.140 ( -0.524 0.000 0.000) 0.524 15.264 ( -1.947 0.000 0.000) 1.947 15.352 ( 0.277 0.000 0.000) 0.277 15.405 ( 0.205 0.000 0.000) 0.205 15.528 ( -4.440 0.000 0.000) 4.440 15.584 ( 1.602 0.000 0.000) 1.602 15.601 ( -3.101 0.000 0.000) 3.101 15.805 ( 2.184 0.000 0.000) 2.184 15.845 ( 2.689 0.000 0.000) 2.689 15.887 ( 1.010 0.000 0.000) 1.010 16.051 ( -1.125 0.000 0.000) 1.125 16.067 ( 0.210 0.000 0.000) 0.210 16.205 ( 1.876 0.000 0.000) 1.876 16.377 ( 0.977 0.000 0.000) 0.977 16.381 ( -8.895 0.000 0.000) 8.895 16.892 ( -4.427 0.000 0.000) 4.427 17.177 ( -0.093 0.000 0.000) 0.093 17.209 ( 9.859 0.000 0.000) 9.859 17.472 ( -0.294 0.000 0.000) 0.294 17.551 ( 2.374 0.000 0.000) 2.374 17.794 ( -2.262 0.000 0.000) 2.262 17.853 ( -1.219 0.000 0.000) 1.219 18.230 ( -2.284 0.000 0.000) 2.284 18.688 ( -9.037 0.000 0.000) 9.037 19.860 ( -0.730 0.000 0.000) 0.730 19.899 ( 0.619 0.000 0.000) 0.619 19.922 ( -0.609 0.000 0.000) 0.609 19.938 ( -0.183 0.000 0.000) 0.183 21.103 ( 6.973 0.000 0.000) 6.973 21.198 ( 1.949 0.000 0.000) 1.949 21.207 ( 3.312 0.000 0.000) 3.312 21.618 ( 9.783 0.000 0.000) 9.783 22.278 ( -10.711 0.000 0.000) 10.711 22.448 ( -7.044 0.000 0.000) 7.044 22.515 ( -1.507 0.000 0.000) 1.507 22.905 ( 1.673 0.000 0.000) 1.673 23.678 ( 12.722 0.000 0.000) 12.722 23.713 ( 14.233 0.000 0.000) 14.233 23.872 ( 21.167 0.000 0.000) 21.167 24.601 ( 9.308 0.000 0.000) 9.308 26.206 ( -7.960 0.000 0.000) 7.960 26.248 ( -7.373 0.000 0.000) 7.373 26.746 ( -7.919 0.000 0.000) 7.919 26.895 ( -8.929 0.000 0.000) 8.929 28.228 ( 3.341 0.000 0.000) 3.341 28.367 ( 2.565 0.000 0.000) 2.565 28.409 ( 7.077 0.000 0.000) 7.077 29.338 ( -2.093 0.000 0.000) 2.093 31.293 ( -0.423 0.000 0.000) 0.423 31.326 ( -0.825 0.000 0.000) 0.825 31.342 ( -0.263 0.000 0.000) 0.263 31.399 ( -0.447 0.000 0.000) 0.447 34.105 ( -2.028 0.000 0.000) 2.028 34.170 ( -2.407 0.000 0.000) 2.407 34.322 ( -5.267 0.000 0.000) 5.267 34.329 ( -2.992 0.000 0.000) 2.992 34.812 ( 5.947 0.000 0.000) 5.947 35.075 ( 0.849 0.000 0.000) 0.849 35.077 ( 0.756 0.000 0.000) 0.756 35.117 ( -0.768 0.000 0.000) 0.768 35.259 ( 1.680 0.000 0.000) 1.680 35.319 ( 5.074 0.000 0.000) 5.074 35.374 ( 7.129 0.000 0.000) 7.129 36.034 ( -3.846 0.000 0.000) 3.846 36.350 ( -0.160 0.000 0.000) 0.160 36.402 ( -0.764 0.000 0.000) 0.764 37.249 ( -4.131 0.000 0.000) 4.131 37.741 ( -7.755 0.000 0.000) 7.755 47.583 ( 1.148 0.000 0.000) 1.148 47.694 ( 0.531 0.000 0.000) 0.531 47.697 ( 0.104 0.000 0.000) 0.104 47.923 ( -1.010 0.000 0.000) 1.010 48.122 ( 1.846 0.000 0.000) 1.846 48.302 ( -1.054 0.000 0.000) 1.054 48.304 ( -0.914 0.000 0.000) 0.914 48.641 ( -2.202 0.000 0.000) 2.202 97.878 ( 1.054 0.000 0.000) 1.054 97.882 ( 1.112 0.000 0.000) 1.112 98.239 ( -1.939 0.000 0.000) 1.939 98.429 ( -3.438 0.000 0.000) 3.438 99.463 ( -0.226 0.000 0.000) 0.226 99.486 ( -0.428 0.000 0.000) 0.428 99.803 ( -1.383 0.000 0.000) 1.383 99.979 ( -2.724 0.000 0.000) 2.724 104.715 ( 0.445 0.000 0.000) 0.445 104.803 ( 0.565 0.000 0.000) 0.565 104.913 ( -1.209 0.000 0.000) 1.209 104.975 ( 0.778 0.000 0.000) 0.778 104.987 ( -0.634 0.000 0.000) 0.634 105.086 ( -0.063 0.000 0.000) 0.063 105.195 ( -0.521 0.000 0.000) 0.521 105.462 ( -2.668 0.000 0.000) 2.668 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 22.420 0.000 0.000) 22.420 1.246 ( 28.760 0.000 0.000) 28.760 2.013 ( -6.331 0.000 0.000) 6.331 2.140 ( 38.977 0.000 0.000) 38.977 2.258 ( 5.801 0.000 0.000) 5.801 2.521 ( 4.921 0.000 0.000) 4.921 2.532 ( 7.524 0.000 0.000) 7.524 2.645 ( 10.227 0.000 0.000) 10.227 2.744 ( 0.726 0.000 0.000) 0.726 2.817 ( 10.295 0.000 0.000) 10.295 2.851 ( 3.492 0.000 0.000) 3.492 3.027 ( 16.896 0.000 0.000) 16.896 3.136 ( 7.644 0.000 0.000) 7.644 3.202 ( 14.241 0.000 0.000) 14.241 3.257 ( 7.831 0.000 0.000) 7.831 3.316 ( 15.625 0.000 0.000) 15.625 3.537 ( 3.149 0.000 0.000) 3.149 3.565 ( -1.428 0.000 0.000) 1.428 3.599 ( 11.077 0.000 0.000) 11.077 3.657 ( -0.279 0.000 0.000) 0.279 3.778 ( 6.311 0.000 0.000) 6.311 3.797 ( 13.245 0.000 0.000) 13.245 3.819 ( 7.776 0.000 0.000) 7.776 4.044 ( 8.614 0.000 0.000) 8.614 4.064 ( -3.796 0.000 0.000) 3.796 4.299 ( 18.674 0.000 0.000) 18.674 4.333 ( 2.811 0.000 0.000) 2.811 4.381 ( -11.531 0.000 0.000) 11.531 4.572 ( 4.780 0.000 0.000) 4.780 4.694 ( 5.460 0.000 0.000) 5.460 4.765 ( 1.563 0.000 0.000) 1.563 4.791 ( -11.091 0.000 0.000) 11.091 5.139 ( -8.172 0.000 0.000) 8.172 5.248 ( -3.666 0.000 0.000) 3.666 5.339 ( -2.462 0.000 0.000) 2.462 5.425 ( -0.287 0.000 0.000) 0.287 5.432 ( -10.922 0.000 0.000) 10.922 5.552 ( 13.945 0.000 0.000) 13.945 5.667 ( -3.546 0.000 0.000) 3.546 5.754 ( -5.471 0.000 0.000) 5.471 5.868 ( -4.567 0.000 0.000) 4.567 5.883 ( -8.258 0.000 0.000) 8.258 5.907 ( -1.780 0.000 0.000) 1.780 6.062 ( -16.537 0.000 0.000) 16.537 6.199 ( -0.753 0.000 0.000) 0.753 6.264 ( -17.801 0.000 0.000) 17.801 6.403 ( -10.134 0.000 0.000) 10.134 6.510 ( -7.365 0.000 0.000) 7.365 6.520 ( -5.792 0.000 0.000) 5.792 6.579 ( -2.310 0.000 0.000) 2.310 6.716 ( 0.693 0.000 0.000) 0.693 6.723 ( -8.848 0.000 0.000) 8.848 6.728 ( -3.051 0.000 0.000) 3.051 6.783 ( 4.077 0.000 0.000) 4.077 7.075 ( 1.846 0.000 0.000) 1.846 7.159 ( -12.703 0.000 0.000) 12.703 7.212 ( -1.225 0.000 0.000) 1.225 7.337 ( -0.400 0.000 0.000) 0.400 7.351 ( 5.411 0.000 0.000) 5.411 7.436 ( -5.112 0.000 0.000) 5.112 7.517 ( 3.339 0.000 0.000) 3.339 7.612 ( 6.574 0.000 0.000) 6.574 7.835 ( -11.059 0.000 0.000) 11.059 7.955 ( -4.646 0.000 0.000) 4.646 7.967 ( 1.616 0.000 0.000) 1.616 8.025 ( -0.757 0.000 0.000) 0.757 8.313 ( 0.478 0.000 0.000) 0.478 8.373 ( 1.297 0.000 0.000) 1.297 8.460 ( 0.553 0.000 0.000) 0.553 8.515 ( -2.690 0.000 0.000) 2.690 8.722 ( -1.528 0.000 0.000) 1.528 8.744 ( -0.059 0.000 0.000) 0.059 9.333 ( 2.325 0.000 0.000) 2.325 9.377 ( -2.803 0.000 0.000) 2.803 9.451 ( -4.980 0.000 0.000) 4.980 9.503 ( 1.125 0.000 0.000) 1.125 9.523 ( -5.184 0.000 0.000) 5.184 9.641 ( -3.366 0.000 0.000) 3.366 9.718 ( -1.560 0.000 0.000) 1.560 9.744 ( -0.410 0.000 0.000) 0.410 9.825 ( 3.685 0.000 0.000) 3.685 10.113 ( -0.471 0.000 0.000) 0.471 10.125 ( 3.205 0.000 0.000) 3.205 10.195 ( -4.314 0.000 0.000) 4.314 10.249 ( -3.488 0.000 0.000) 3.488 10.289 ( -5.433 0.000 0.000) 5.433 10.670 ( 8.725 0.000 0.000) 8.725 11.155 ( -0.078 0.000 0.000) 0.078 11.160 ( -18.240 0.000 0.000) 18.240 11.177 ( -4.909 0.000 0.000) 4.909 11.733 ( 0.774 0.000 0.000) 0.774 11.762 ( 5.705 0.000 0.000) 5.705 11.891 ( 1.228 0.000 0.000) 1.228 11.901 ( -8.847 0.000 0.000) 8.847 11.949 ( 9.076 0.000 0.000) 9.076 12.451 ( -4.592 0.000 0.000) 4.592 14.408 ( 7.513 0.000 0.000) 7.513 14.437 ( 5.953 0.000 0.000) 5.953 14.496 ( 7.413 0.000 0.000) 7.413 14.693 ( 3.425 0.000 0.000) 3.425 15.130 ( -0.413 0.000 0.000) 0.413 15.216 ( -2.424 0.000 0.000) 2.424 15.357 ( -0.287 0.000 0.000) 0.287 15.383 ( -2.028 0.000 0.000) 2.028 15.418 ( -5.542 0.000 0.000) 5.542 15.508 ( -5.145 0.000 0.000) 5.145 15.631 ( 2.848 0.000 0.000) 2.848 15.897 ( 5.752 0.000 0.000) 5.752 15.903 ( 0.155 0.000 0.000) 0.155 15.935 ( 6.750 0.000 0.000) 6.750 16.027 ( -0.957 0.000 0.000) 0.957 16.070 ( -0.017 0.000 0.000) 0.017 16.238 ( -4.497 0.000 0.000) 4.497 16.256 ( 2.821 0.000 0.000) 2.821 16.391 ( 0.262 0.000 0.000) 0.262 16.775 ( -7.057 0.000 0.000) 7.057 17.200 ( 2.513 0.000 0.000) 2.513 17.394 ( 7.919 0.000 0.000) 7.919 17.461 ( -0.764 0.000 0.000) 0.764 17.592 ( 1.166 0.000 0.000) 1.166 17.729 ( -3.803 0.000 0.000) 3.803 17.822 ( -1.684 0.000 0.000) 1.684 18.161 ( -4.198 0.000 0.000) 4.198 18.454 ( -12.359 0.000 0.000) 12.359 19.853 ( 0.164 0.000 0.000) 0.164 19.906 ( -0.832 0.000 0.000) 0.832 19.907 ( 0.125 0.000 0.000) 0.125 19.931 ( -0.512 0.000 0.000) 0.512 21.263 ( 4.375 0.000 0.000) 4.375 21.308 ( 12.345 0.000 0.000) 12.345 21.326 ( 8.057 0.000 0.000) 8.057 21.883 ( 14.847 0.000 0.000) 14.847 22.037 ( -12.061 0.000 0.000) 12.061 22.275 ( -9.495 0.000 0.000) 9.495 22.415 ( -7.773 0.000 0.000) 7.773 22.885 ( -3.760 0.000 0.000) 3.760 24.046 ( 21.727 0.000 0.000) 21.727 24.109 ( 22.876 0.000 0.000) 22.876 24.449 ( 31.956 0.000 0.000) 31.956 24.878 ( 16.868 0.000 0.000) 16.868 25.962 ( -15.351 0.000 0.000) 15.351 26.019 ( -14.472 0.000 0.000) 14.472 26.509 ( -14.593 0.000 0.000) 14.593 26.639 ( -15.338 0.000 0.000) 15.338 28.321 ( 5.111 0.000 0.000) 5.111 28.432 ( 3.290 0.000 0.000) 3.290 28.592 ( 9.841 0.000 0.000) 9.841 29.271 ( -4.349 0.000 0.000) 4.349 31.283 ( -0.403 0.000 0.000) 0.403 31.309 ( -0.638 0.000 0.000) 0.638 31.331 ( -0.841 0.000 0.000) 0.841 31.383 ( -1.118 0.000 0.000) 1.118 34.057 ( -2.251 0.000 0.000) 2.251 34.109 ( -3.154 0.000 0.000) 3.154 34.207 ( -5.277 0.000 0.000) 5.277 34.246 ( -4.615 0.000 0.000) 4.615 34.944 ( 6.082 0.000 0.000) 6.082 35.095 ( 0.834 0.000 0.000) 0.834 35.109 ( 2.342 0.000 0.000) 2.342 35.127 ( 1.592 0.000 0.000) 1.592 35.317 ( 3.944 0.000 0.000) 3.944 35.448 ( 6.701 0.000 0.000) 6.701 35.529 ( 6.897 0.000 0.000) 6.897 35.922 ( -6.731 0.000 0.000) 6.731 36.358 ( 1.207 0.000 0.000) 1.207 36.387 ( -0.502 0.000 0.000) 0.502 37.136 ( -6.248 0.000 0.000) 6.248 37.525 ( -12.305 0.000 0.000) 12.305 47.615 ( 1.810 0.000 0.000) 1.810 47.699 ( 0.003 0.000 0.000) 0.003 47.712 ( 1.197 0.000 0.000) 1.197 47.893 ( -1.882 0.000 0.000) 1.882 48.177 ( 3.349 0.000 0.000) 3.349 48.276 ( -1.212 0.000 0.000) 1.212 48.280 ( -1.316 0.000 0.000) 1.316 48.576 ( -3.971 0.000 0.000) 3.971 97.906 ( 1.779 0.000 0.000) 1.779 97.923 ( 2.744 0.000 0.000) 2.744 98.182 ( -3.367 0.000 0.000) 3.367 98.333 ( -5.489 0.000 0.000) 5.489 99.457 ( -0.349 0.000 0.000) 0.349 99.474 ( -0.676 0.000 0.000) 0.676 99.772 ( -1.329 0.000 0.000) 1.329 99.907 ( -3.850 0.000 0.000) 3.850 104.729 ( 0.953 0.000 0.000) 0.953 104.821 ( 1.147 0.000 0.000) 1.147 104.879 ( -1.963 0.000 0.000) 1.963 104.966 ( -1.368 0.000 0.000) 1.368 104.998 ( 1.317 0.000 0.000) 1.317 105.082 ( -0.305 0.000 0.000) 0.305 105.186 ( -0.137 0.000 0.000) 0.137 105.390 ( -3.994 0.000 0.000) 3.994 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.437 ( 17.370 0.000 0.000) 17.370 1.814 ( 25.441 0.000 0.000) 25.441 1.892 ( -6.018 0.000 0.000) 6.018 2.426 ( 9.317 0.000 0.000) 9.317 2.538 ( -1.792 0.000 0.000) 1.792 2.628 ( 5.011 0.000 0.000) 5.011 2.688 ( 7.327 0.000 0.000) 7.327 2.718 ( -3.411 0.000 0.000) 3.411 2.747 ( 0.683 0.000 0.000) 0.683 2.889 ( -0.197 0.000 0.000) 0.197 3.035 ( 10.536 0.000 0.000) 10.536 3.288 ( 7.932 0.000 0.000) 7.932 3.343 ( 9.643 0.000 0.000) 9.643 3.450 ( 9.015 0.000 0.000) 9.015 3.472 ( -7.954 0.000 0.000) 7.954 3.542 ( 15.594 0.000 0.000) 15.594 3.601 ( 2.524 0.000 0.000) 2.524 3.636 ( 13.786 0.000 0.000) 13.786 3.709 ( 8.811 0.000 0.000) 8.811 3.789 ( 7.083 0.000 0.000) 7.083 3.931 ( 6.473 0.000 0.000) 6.473 3.975 ( -4.851 0.000 0.000) 4.851 3.993 ( 7.804 0.000 0.000) 7.804 4.017 ( 7.458 0.000 0.000) 7.458 4.171 ( 2.460 0.000 0.000) 2.460 4.215 ( -2.334 0.000 0.000) 2.334 4.404 ( 0.057 0.000 0.000) 0.057 4.528 ( -13.544 0.000 0.000) 13.544 4.737 ( 22.557 0.000 0.000) 22.557 4.740 ( 12.387 0.000 0.000) 12.387 4.838 ( 8.718 0.000 0.000) 8.718 4.862 ( 8.299 0.000 0.000) 8.299 4.980 ( -6.310 0.000 0.000) 6.310 5.201 ( -1.468 0.000 0.000) 1.468 5.277 ( -1.886 0.000 0.000) 1.886 5.303 ( -0.942 0.000 0.000) 0.942 5.383 ( -5.350 0.000 0.000) 5.350 5.490 ( -12.349 0.000 0.000) 12.349 5.662 ( -20.852 0.000 0.000) 20.852 5.698 ( 1.782 0.000 0.000) 1.782 5.727 ( -5.493 0.000 0.000) 5.493 5.739 ( -6.958 0.000 0.000) 6.958 5.858 ( -20.028 0.000 0.000) 20.028 5.876 ( -2.762 0.000 0.000) 2.762 5.905 ( 17.581 0.000 0.000) 17.581 6.220 ( -6.303 0.000 0.000) 6.303 6.228 ( 4.071 0.000 0.000) 4.071 6.313 ( -9.393 0.000 0.000) 9.393 6.425 ( -4.244 0.000 0.000) 4.244 6.507 ( -9.939 0.000 0.000) 9.939 6.554 ( -0.382 0.000 0.000) 0.382 6.680 ( -1.337 0.000 0.000) 1.337 6.685 ( -1.143 0.000 0.000) 1.143 6.861 ( -15.557 0.000 0.000) 15.557 6.952 ( 8.139 0.000 0.000) 8.139 7.130 ( 4.336 0.000 0.000) 4.336 7.176 ( -2.514 0.000 0.000) 2.514 7.324 ( -0.818 0.000 0.000) 0.818 7.331 ( -4.399 0.000 0.000) 4.399 7.469 ( 5.548 0.000 0.000) 5.548 7.570 ( 1.387 0.000 0.000) 1.387 7.573 ( -13.191 0.000 0.000) 13.191 7.732 ( 4.678 0.000 0.000) 4.678 7.870 ( -3.405 0.000 0.000) 3.405 7.992 ( 0.817 0.000 0.000) 0.817 8.013 ( -0.468 0.000 0.000) 0.468 8.337 ( 1.846 0.000 0.000) 1.846 8.399 ( 0.469 0.000 0.000) 0.469 8.455 ( -0.972 0.000 0.000) 0.972 8.457 ( -2.318 0.000 0.000) 2.318 8.672 ( -2.541 0.000 0.000) 2.541 8.702 ( -3.278 0.000 0.000) 3.278 9.332 ( -1.144 0.000 0.000) 1.144 9.382 ( -2.076 0.000 0.000) 2.076 9.410 ( 4.751 0.000 0.000) 4.751 9.466 ( -0.169 0.000 0.000) 0.169 9.526 ( 0.768 0.000 0.000) 0.768 9.564 ( -3.850 0.000 0.000) 3.850 9.681 ( -1.581 0.000 0.000) 1.581 9.708 ( -2.810 0.000 0.000) 2.810 9.916 ( 4.598 0.000 0.000) 4.598 10.099 ( -1.910 0.000 0.000) 1.910 10.166 ( 0.674 0.000 0.000) 0.674 10.167 ( -2.872 0.000 0.000) 2.872 10.199 ( 4.624 0.000 0.000) 4.624 10.247 ( 3.307 0.000 0.000) 3.307 10.639 ( -11.510 0.000 0.000) 11.510 10.807 ( -16.003 0.000 0.000) 16.003 11.135 ( 0.132 0.000 0.000) 0.132 11.157 ( 0.070 0.000 0.000) 0.070 11.755 ( 1.544 0.000 0.000) 1.544 11.779 ( -0.638 0.000 0.000) 0.638 11.842 ( 1.549 0.000 0.000) 1.549 11.870 ( -2.718 0.000 0.000) 2.718 12.125 ( 7.750 0.000 0.000) 7.750 12.368 ( -4.013 0.000 0.000) 4.013 14.540 ( 4.620 0.000 0.000) 4.620 14.544 ( 3.954 0.000 0.000) 3.954 14.645 ( 6.436 0.000 0.000) 6.436 14.751 ( 1.625 0.000 0.000) 1.625 15.127 ( 0.196 0.000 0.000) 0.196 15.170 ( -1.900 0.000 0.000) 1.900 15.314 ( -2.728 0.000 0.000) 2.728 15.319 ( -3.575 0.000 0.000) 3.575 15.359 ( -0.540 0.000 0.000) 0.540 15.411 ( -3.803 0.000 0.000) 3.803 15.702 ( 3.985 0.000 0.000) 3.985 15.874 ( -3.027 0.000 0.000) 3.027 16.018 ( 5.655 0.000 0.000) 5.655 16.023 ( 0.686 0.000 0.000) 0.686 16.064 ( -0.640 0.000 0.000) 0.640 16.128 ( 11.010 0.000 0.000) 11.010 16.175 ( -2.274 0.000 0.000) 2.274 16.315 ( 2.666 0.000 0.000) 2.666 16.387 ( -0.679 0.000 0.000) 0.679 16.596 ( -9.959 0.000 0.000) 9.959 17.278 ( 4.644 0.000 0.000) 4.644 17.436 ( -1.787 0.000 0.000) 1.787 17.549 ( 7.203 0.000 0.000) 7.203 17.598 ( -0.300 0.000 0.000) 0.300 17.648 ( -3.635 0.000 0.000) 3.635 17.780 ( -2.667 0.000 0.000) 2.667 18.075 ( -3.182 0.000 0.000) 3.182 18.215 ( -9.776 0.000 0.000) 9.776 19.865 ( 0.765 0.000 0.000) 0.765 19.890 ( -0.644 0.000 0.000) 0.644 19.905 ( -0.247 0.000 0.000) 0.247 19.917 ( -0.708 0.000 0.000) 0.708 21.383 ( 7.215 0.000 0.000) 7.215 21.535 ( 11.667 0.000 0.000) 11.667 21.599 ( 15.083 0.000 0.000) 15.083 21.788 ( -11.612 0.000 0.000) 11.612 22.053 ( -11.743 0.000 0.000) 11.743 22.203 ( -12.287 0.000 0.000) 12.287 22.208 ( 15.714 0.000 0.000) 15.714 22.751 ( -9.017 0.000 0.000) 9.017 24.548 ( 25.678 0.000 0.000) 25.678 24.629 ( 26.218 0.000 0.000) 26.218 25.126 ( 31.699 0.000 0.000) 31.699 25.281 ( 21.325 0.000 0.000) 21.325 25.576 ( -21.435 0.000 0.000) 21.435 25.651 ( -20.710 0.000 0.000) 20.710 26.152 ( -19.359 0.000 0.000) 19.359 26.260 ( -21.083 0.000 0.000) 21.083 28.423 ( 4.310 0.000 0.000) 4.310 28.486 ( 1.558 0.000 0.000) 1.558 28.800 ( 9.917 0.000 0.000) 9.917 29.156 ( -6.660 0.000 0.000) 6.660 31.279 ( 0.068 0.000 0.000) 0.068 31.302 ( -0.326 0.000 0.000) 0.326 31.313 ( -0.484 0.000 0.000) 0.484 31.354 ( -1.546 0.000 0.000) 1.546 34.023 ( -0.775 0.000 0.000) 0.775 34.052 ( -2.107 0.000 0.000) 2.107 34.118 ( -2.943 0.000 0.000) 2.943 34.152 ( -4.034 0.000 0.000) 4.034 35.047 ( 3.604 0.000 0.000) 3.604 35.106 ( 0.150 0.000 0.000) 0.150 35.161 ( 2.325 0.000 0.000) 2.325 35.169 ( 1.947 0.000 0.000) 1.947 35.428 ( 6.732 0.000 0.000) 6.732 35.574 ( 4.965 0.000 0.000) 4.965 35.633 ( 2.685 0.000 0.000) 2.685 35.763 ( -8.252 0.000 0.000) 8.252 36.393 ( 1.219 0.000 0.000) 1.219 36.402 ( 2.540 0.000 0.000) 2.540 37.024 ( -3.271 0.000 0.000) 3.271 37.260 ( -12.348 0.000 0.000) 12.348 47.653 ( 1.661 0.000 0.000) 1.661 47.695 ( -0.385 0.000 0.000) 0.385 47.745 ( 2.003 0.000 0.000) 2.003 47.847 ( -2.458 0.000 0.000) 2.458 48.238 ( 0.715 0.000 0.000) 0.715 48.254 ( -1.032 0.000 0.000) 1.032 48.277 ( 3.181 0.000 0.000) 3.181 48.481 ( -5.004 0.000 0.000) 5.004 97.954 ( 2.844 0.000 0.000) 2.844 97.995 ( 4.116 0.000 0.000) 4.116 98.104 ( -3.962 0.000 0.000) 3.962 98.212 ( -5.929 0.000 0.000) 5.929 99.450 ( -0.183 0.000 0.000) 0.183 99.460 ( -0.612 0.000 0.000) 0.612 99.757 ( 0.042 0.000 0.000) 0.042 99.830 ( -3.290 0.000 0.000) 3.290 104.755 ( 1.500 0.000 0.000) 1.500 104.835 ( -2.182 0.000 0.000) 2.182 104.851 ( 1.682 0.000 0.000) 1.682 104.931 ( -1.903 0.000 0.000) 1.903 105.027 ( 1.402 0.000 0.000) 1.402 105.072 ( -0.690 0.000 0.000) 0.690 105.196 ( 1.162 0.000 0.000) 1.162 105.306 ( -3.840 0.000 0.000) 3.840 ======================= Grid point 4 (5/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -10.509 0.000 0.000) 10.509 1.728 ( 10.509 0.000 0.000) 10.509 2.284 ( -18.953 0.000 0.000) 18.953 2.284 ( 18.953 0.000 0.000) 18.953 2.605 ( -7.289 0.000 0.000) 7.289 2.605 ( 7.289 0.000 0.000) 7.289 2.717 ( -3.184 0.000 0.000) 3.184 2.717 ( 3.184 0.000 0.000) 3.184 2.829 ( -5.482 0.000 0.000) 5.482 2.829 ( 5.482 0.000 0.000) 5.482 3.260 ( -11.101 0.000 0.000) 11.101 3.260 ( 11.101 0.000 0.000) 11.101 3.389 ( -2.258 0.000 0.000) 2.258 3.389 ( 2.258 0.000 0.000) 2.258 3.578 ( -3.755 0.000 0.000) 3.755 3.578 ( 3.755 0.000 0.000) 3.755 3.819 ( -10.292 0.000 0.000) 10.292 3.819 ( 10.292 0.000 0.000) 10.292 3.837 ( -4.078 0.000 0.000) 4.078 3.837 ( 4.078 0.000 0.000) 4.078 3.957 ( -6.795 0.000 0.000) 6.795 3.957 ( 6.795 0.000 0.000) 6.795 4.088 ( -1.216 0.000 0.000) 1.216 4.088 ( 1.216 0.000 0.000) 1.216 4.262 ( -7.601 0.000 0.000) 7.601 4.262 ( 7.601 0.000 0.000) 7.601 4.306 ( -5.498 0.000 0.000) 5.498 4.306 ( 5.498 0.000 0.000) 5.498 4.891 ( -2.865 0.000 0.000) 2.865 4.891 ( 2.865 0.000 0.000) 2.865 5.073 ( -12.657 0.000 0.000) 12.657 5.073 ( 12.657 0.000 0.000) 12.657 5.153 ( -15.970 0.000 0.000) 15.970 5.153 ( 15.970 0.000 0.000) 15.970 5.208 ( -21.931 0.000 0.000) 21.931 5.208 ( 21.931 0.000 0.000) 21.931 5.304 ( -2.526 0.000 0.000) 2.526 5.304 ( 2.526 0.000 0.000) 2.526 5.435 ( -16.113 0.000 0.000) 16.113 5.435 ( 16.113 0.000 0.000) 16.113 5.679 ( -0.836 0.000 0.000) 0.836 5.679 ( 0.836 0.000 0.000) 0.836 5.785 ( -5.385 0.000 0.000) 5.385 5.785 ( 5.385 0.000 0.000) 5.385 6.178 ( -2.614 0.000 0.000) 2.614 6.178 ( 2.614 0.000 0.000) 2.614 6.233 ( -12.583 0.000 0.000) 12.583 6.233 ( 12.583 0.000 0.000) 12.583 6.377 ( -7.800 0.000 0.000) 7.800 6.377 ( 7.800 0.000 0.000) 7.800 6.588 ( -6.621 0.000 0.000) 6.621 6.588 ( 6.621 0.000 0.000) 6.621 6.670 ( -0.228 0.000 0.000) 0.228 6.670 ( 0.228 0.000 0.000) 0.228 7.095 ( -5.392 0.000 0.000) 5.392 7.095 ( 5.392 0.000 0.000) 5.392 7.255 ( -4.995 0.000 0.000) 4.995 7.255 ( 4.995 0.000 0.000) 4.995 7.343 ( -5.889 0.000 0.000) 5.889 7.343 ( 5.889 0.000 0.000) 5.889 7.560 ( -2.606 0.000 0.000) 2.606 7.560 ( 2.606 0.000 0.000) 2.606 7.808 ( -2.928 0.000 0.000) 2.928 7.808 ( 2.928 0.000 0.000) 2.928 8.004 ( -0.427 0.000 0.000) 0.427 8.004 ( 0.427 0.000 0.000) 0.427 8.382 ( -1.958 0.000 0.000) 1.958 8.382 ( 1.958 0.000 0.000) 1.958 8.436 ( -0.337 0.000 0.000) 0.337 8.436 ( 0.337 0.000 0.000) 0.337 8.649 ( -0.899 0.000 0.000) 0.899 8.649 ( 0.899 0.000 0.000) 0.899 9.341 ( -1.771 0.000 0.000) 1.771 9.341 ( 1.771 0.000 0.000) 1.771 9.496 ( -2.551 0.000 0.000) 2.551 9.496 ( 2.551 0.000 0.000) 2.551 9.505 ( -3.396 0.000 0.000) 3.396 9.505 ( 3.396 0.000 0.000) 3.396 9.663 ( -0.463 0.000 0.000) 0.463 9.663 ( 0.463 0.000 0.000) 0.463 10.014 ( -4.842 0.000 0.000) 4.842 10.014 ( 4.842 0.000 0.000) 4.842 10.160 ( -0.826 0.000 0.000) 0.826 10.160 ( 0.826 0.000 0.000) 0.826 10.364 ( -11.787 0.000 0.000) 11.787 10.364 ( 11.787 0.000 0.000) 11.787 10.463 ( -15.461 0.000 0.000) 15.461 10.463 ( 15.461 0.000 0.000) 15.461 11.150 ( -0.765 0.000 0.000) 0.765 11.150 ( 0.765 0.000 0.000) 0.765 11.804 ( -3.077 0.000 0.000) 3.077 11.804 ( 3.077 0.000 0.000) 3.077 11.825 ( -2.784 0.000 0.000) 2.784 11.825 ( 2.784 0.000 0.000) 2.784 12.267 ( -5.839 0.000 0.000) 5.839 12.267 ( 5.839 0.000 0.000) 5.839 14.588 ( -0.025 0.000 0.000) 0.025 14.588 ( 0.025 0.000 0.000) 0.025 14.743 ( -2.612 0.000 0.000) 2.612 14.743 ( 2.612 0.000 0.000) 2.612 15.139 ( -1.038 0.000 0.000) 1.038 15.139 ( 1.038 0.000 0.000) 1.038 15.281 ( -0.040 0.000 0.000) 0.040 15.281 ( 0.040 0.000 0.000) 0.040 15.360 ( -1.029 0.000 0.000) 1.029 15.360 ( 1.029 0.000 0.000) 1.029 15.792 ( -4.439 0.000 0.000) 4.439 15.792 ( 4.439 0.000 0.000) 4.439 16.045 ( -1.128 0.000 0.000) 1.128 16.045 ( 1.128 0.000 0.000) 1.128 16.117 ( -3.667 0.000 0.000) 3.667 16.117 ( 3.667 0.000 0.000) 3.667 16.362 ( -1.742 0.000 0.000) 1.742 16.362 ( 1.742 0.000 0.000) 1.742 16.368 ( -11.615 0.000 0.000) 11.615 16.368 ( 11.615 0.000 0.000) 11.615 17.375 ( -4.176 0.000 0.000) 4.176 17.375 ( 4.176 0.000 0.000) 4.176 17.598 ( -0.887 0.000 0.000) 0.887 17.598 ( 0.887 0.000 0.000) 0.887 17.691 ( -5.955 0.000 0.000) 5.955 17.691 ( 5.955 0.000 0.000) 5.955 18.072 ( -3.486 0.000 0.000) 3.486 18.072 ( 3.486 0.000 0.000) 3.486 19.879 ( -0.540 0.000 0.000) 0.540 19.879 ( 0.540 0.000 0.000) 0.540 19.905 ( -0.365 0.000 0.000) 0.365 19.905 ( 0.365 0.000 0.000) 0.365 21.562 ( -9.862 0.000 0.000) 9.862 21.562 ( 9.862 0.000 0.000) 9.862 21.794 ( -12.834 0.000 0.000) 12.834 21.794 ( 12.834 0.000 0.000) 12.834 21.916 ( -14.930 0.000 0.000) 14.930 21.916 ( 14.930 0.000 0.000) 14.930 22.515 ( -13.371 0.000 0.000) 13.371 22.515 ( 13.371 0.000 0.000) 13.371 25.085 ( -25.241 0.000 0.000) 25.241 25.085 ( 25.241 0.000 0.000) 25.241 25.170 ( -25.072 0.000 0.000) 25.072 25.170 ( 25.072 0.000 0.000) 25.072 25.712 ( -23.250 0.000 0.000) 23.250 25.712 ( 23.250 0.000 0.000) 23.250 25.766 ( -25.547 0.000 0.000) 25.547 25.766 ( 25.547 0.000 0.000) 25.547 28.487 ( -1.590 0.000 0.000) 1.590 28.487 ( 1.590 0.000 0.000) 1.590 28.996 ( -8.661 0.000 0.000) 8.661 28.996 ( 8.661 0.000 0.000) 8.661 31.287 ( -0.688 0.000 0.000) 0.688 31.287 ( 0.688 0.000 0.000) 0.688 31.324 ( -1.190 0.000 0.000) 1.190 31.324 ( 1.190 0.000 0.000) 1.190 34.024 ( -0.669 0.000 0.000) 0.669 34.024 ( 0.669 0.000 0.000) 0.669 34.095 ( -0.961 0.000 0.000) 0.961 34.095 ( 0.961 0.000 0.000) 0.961 35.096 ( -1.254 0.000 0.000) 1.254 35.096 ( 1.254 0.000 0.000) 1.254 35.190 ( -0.182 0.000 0.000) 0.182 35.190 ( 0.182 0.000 0.000) 0.182 35.588 ( -8.334 0.000 0.000) 8.334 35.588 ( 8.334 0.000 0.000) 8.334 35.643 ( -1.511 0.000 0.000) 1.511 35.643 ( 1.511 0.000 0.000) 1.511 36.424 ( -0.901 0.000 0.000) 0.901 36.424 ( 0.901 0.000 0.000) 0.901 37.052 ( -6.428 0.000 0.000) 6.428 37.052 ( 6.428 0.000 0.000) 6.428 47.681 ( -1.003 0.000 0.000) 1.003 47.681 ( 1.003 0.000 0.000) 1.003 47.794 ( -2.542 0.000 0.000) 2.542 47.794 ( 2.542 0.000 0.000) 2.542 48.240 ( -0.265 0.000 0.000) 0.265 48.240 ( 0.265 0.000 0.000) 0.265 48.373 ( -5.157 0.000 0.000) 5.157 48.373 ( 5.157 0.000 0.000) 5.157 98.023 ( -3.703 0.000 0.000) 3.703 98.023 ( 3.703 0.000 0.000) 3.703 98.093 ( -5.290 0.000 0.000) 5.290 98.093 ( 5.290 0.000 0.000) 5.290 99.451 ( -0.246 0.000 0.000) 0.246 99.451 ( 0.246 0.000 0.000) 0.246 99.776 ( -1.802 0.000 0.000) 1.802 99.776 ( 1.802 0.000 0.000) 1.802 104.791 ( -1.968 0.000 0.000) 1.968 104.791 ( 1.968 0.000 0.000) 1.968 104.890 ( -1.998 0.000 0.000) 1.998 104.890 ( 1.998 0.000 0.000) 1.998 105.053 ( -1.100 0.000 0.000) 1.100 105.053 ( 1.100 0.000 0.000) 1.100 105.237 ( -2.724 0.000 0.000) 2.724 105.237 ( 2.724 0.000 0.000) 2.724 ======================= Grid point 9 (6/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 25.898 0.000) 25.898 0.575 ( 0.000 30.557 0.000) 30.557 0.904 ( 0.000 43.779 0.000) 43.779 1.962 ( 0.000 -19.189 0.000) 19.189 2.240 ( 0.000 -2.413 0.000) 2.413 2.242 ( 0.000 -20.053 0.000) 20.053 2.371 ( 0.000 4.944 0.000) 4.944 2.404 ( 0.000 8.500 0.000) 8.500 2.436 ( 0.000 6.397 0.000) 6.397 2.624 ( 0.000 3.457 0.000) 3.457 2.651 ( 0.000 -3.383 0.000) 3.383 2.754 ( 0.000 7.756 0.000) 7.756 2.778 ( 0.000 0.869 0.000) 0.869 2.949 ( 0.000 0.479 0.000) 0.479 2.973 ( 0.000 5.036 0.000) 5.036 3.211 ( 0.000 4.458 0.000) 4.458 3.344 ( 0.000 -2.683 0.000) 2.683 3.364 ( 0.000 10.125 0.000) 10.125 3.481 ( 0.000 -4.704 0.000) 4.704 3.539 ( 0.000 0.282 0.000) 0.282 3.550 ( 0.000 1.477 0.000) 1.477 3.744 ( 0.000 10.093 0.000) 10.093 3.853 ( 0.000 13.747 0.000) 13.747 3.856 ( 0.000 -4.583 0.000) 4.583 4.045 ( 0.000 -10.539 0.000) 10.539 4.097 ( 0.000 -13.820 0.000) 13.820 4.105 ( 0.000 -3.216 0.000) 3.216 4.339 ( 0.000 -3.270 0.000) 3.270 4.530 ( 0.000 1.570 0.000) 1.570 4.608 ( 0.000 -9.722 0.000) 9.722 4.689 ( 0.000 -5.007 0.000) 5.007 4.878 ( 0.000 -13.304 0.000) 13.304 5.274 ( 0.000 2.377 0.000) 2.377 5.324 ( 0.000 -1.455 0.000) 1.455 5.415 ( 0.000 -1.407 0.000) 1.407 5.432 ( 0.000 3.218 0.000) 3.218 5.502 ( 0.000 4.536 0.000) 4.536 5.673 ( 0.000 8.166 0.000) 8.166 5.836 ( 0.000 -3.972 0.000) 3.972 5.912 ( 0.000 -0.131 0.000) 0.131 5.966 ( 0.000 -2.357 0.000) 2.357 6.026 ( 0.000 1.404 0.000) 1.404 6.064 ( 0.000 5.999 0.000) 5.999 6.333 ( 0.000 -0.974 0.000) 0.974 6.381 ( 0.000 -5.763 0.000) 5.763 6.437 ( 0.000 -1.014 0.000) 1.014 6.559 ( 0.000 -11.259 0.000) 11.259 6.684 ( 0.000 0.706 0.000) 0.706 6.716 ( 0.000 -0.072 0.000) 0.072 6.754 ( 0.000 -1.431 0.000) 1.431 6.830 ( 0.000 2.950 0.000) 2.950 6.925 ( 0.000 2.690 0.000) 2.690 6.961 ( 0.000 0.756 0.000) 0.756 7.018 ( 0.000 2.556 0.000) 2.556 7.128 ( 0.000 -5.047 0.000) 5.047 7.267 ( 0.000 6.096 0.000) 6.096 7.300 ( 0.000 4.967 0.000) 4.967 7.338 ( 0.000 -1.843 0.000) 1.843 7.409 ( 0.000 2.665 0.000) 2.665 7.418 ( 0.000 0.228 0.000) 0.228 7.468 ( 0.000 0.256 0.000) 0.256 7.604 ( 0.000 6.067 0.000) 6.067 7.762 ( 0.000 -10.283 0.000) 10.283 8.054 ( 0.000 -2.305 0.000) 2.305 8.061 ( 0.000 2.803 0.000) 2.803 8.166 ( 0.000 5.335 0.000) 5.335 8.403 ( 0.000 -3.079 0.000) 3.079 8.427 ( 0.000 8.390 0.000) 8.390 8.577 ( 0.000 0.751 0.000) 0.751 8.618 ( 0.000 -0.907 0.000) 0.907 8.639 ( 0.000 -6.872 0.000) 6.872 8.866 ( 0.000 -6.312 0.000) 6.312 9.321 ( 0.000 0.890 0.000) 0.890 9.505 ( 0.000 3.284 0.000) 3.284 9.540 ( 0.000 -7.024 0.000) 7.024 9.598 ( 0.000 3.590 0.000) 3.590 9.671 ( 0.000 1.211 0.000) 1.211 9.678 ( 0.000 -1.966 0.000) 1.966 9.725 ( 0.000 0.291 0.000) 0.291 9.738 ( 0.000 0.081 0.000) 0.081 9.937 ( 0.000 2.197 0.000) 2.197 10.014 ( 0.000 4.821 0.000) 4.821 10.141 ( 0.000 1.189 0.000) 1.189 10.262 ( 0.000 -1.384 0.000) 1.384 10.264 ( 0.000 1.353 0.000) 1.353 10.366 ( 0.000 -1.239 0.000) 1.239 10.385 ( 0.000 -1.409 0.000) 1.409 10.475 ( 0.000 -1.443 0.000) 1.443 11.209 ( 0.000 4.410 0.000) 4.410 11.564 ( 0.000 -4.207 0.000) 4.207 11.634 ( 0.000 0.502 0.000) 0.502 11.655 ( 0.000 0.564 0.000) 0.564 11.701 ( 0.000 -1.022 0.000) 1.022 11.719 ( 0.000 -0.862 0.000) 0.862 12.253 ( 0.000 2.012 0.000) 2.012 12.439 ( 0.000 -2.327 0.000) 2.327 14.201 ( 0.000 0.909 0.000) 0.909 14.270 ( 0.000 0.256 0.000) 0.256 14.296 ( 0.000 -0.406 0.000) 0.406 14.329 ( 0.000 -2.211 0.000) 2.211 15.320 ( 0.000 2.076 0.000) 2.076 15.338 ( 0.000 -0.935 0.000) 0.935 15.413 ( 0.000 2.966 0.000) 2.966 15.554 ( 0.000 0.717 0.000) 0.717 15.605 ( 0.000 2.865 0.000) 2.865 15.621 ( 0.000 -0.829 0.000) 0.829 15.799 ( 0.000 0.413 0.000) 0.413 15.808 ( 0.000 -0.270 0.000) 0.270 15.881 ( 0.000 0.647 0.000) 0.647 15.929 ( 0.000 -0.544 0.000) 0.544 16.039 ( 0.000 -2.199 0.000) 2.199 16.100 ( 0.000 3.518 0.000) 3.518 16.157 ( 0.000 -2.733 0.000) 2.733 16.425 ( 0.000 -5.266 0.000) 5.266 16.564 ( 0.000 2.012 0.000) 2.012 16.595 ( 0.000 0.383 0.000) 0.383 17.060 ( 0.000 1.682 0.000) 1.682 17.172 ( 0.000 -1.101 0.000) 1.101 17.507 ( 0.000 3.229 0.000) 3.229 17.785 ( 0.000 -3.284 0.000) 3.284 17.900 ( 0.000 3.339 0.000) 3.339 17.993 ( 0.000 0.458 0.000) 0.458 18.026 ( 0.000 -0.318 0.000) 0.318 18.213 ( 0.000 -4.049 0.000) 4.049 19.854 ( 0.000 0.348 0.000) 0.348 19.885 ( 0.000 -0.384 0.000) 0.384 19.927 ( 0.000 -0.174 0.000) 0.174 19.936 ( 0.000 -0.330 0.000) 0.330 21.063 ( 0.000 3.131 0.000) 3.131 21.173 ( 0.000 -0.498 0.000) 0.498 21.190 ( 0.000 1.529 0.000) 1.529 21.469 ( 0.000 -3.995 0.000) 3.995 22.488 ( 0.000 1.209 0.000) 1.209 22.488 ( 0.000 0.437 0.000) 0.437 22.537 ( 0.000 -0.036 0.000) 0.036 22.639 ( 0.000 -1.663 0.000) 1.663 23.555 ( 0.000 0.403 0.000) 0.403 23.608 ( 0.000 -1.240 0.000) 1.240 23.661 ( 0.000 1.044 0.000) 1.044 23.694 ( 0.000 -0.128 0.000) 0.128 26.293 ( 0.000 0.334 0.000) 0.334 26.321 ( 0.000 -0.339 0.000) 0.339 26.843 ( 0.000 1.359 0.000) 1.359 26.974 ( 0.000 -1.758 0.000) 1.758 28.205 ( 0.000 1.201 0.000) 1.201 28.314 ( 0.000 -1.369 0.000) 1.369 28.351 ( 0.000 1.244 0.000) 1.244 28.453 ( 0.000 -1.146 0.000) 1.146 31.308 ( 0.000 1.067 0.000) 1.067 31.333 ( 0.000 0.103 0.000) 0.103 31.342 ( 0.000 -0.101 0.000) 0.101 31.394 ( 0.000 -0.937 0.000) 0.937 34.159 ( 0.000 3.023 0.000) 3.023 34.208 ( 0.000 1.536 0.000) 1.536 34.344 ( 0.000 -1.639 0.000) 1.639 34.371 ( 0.000 -1.812 0.000) 1.812 34.754 ( 0.000 1.782 0.000) 1.782 35.094 ( 0.000 2.639 0.000) 2.639 35.126 ( 0.000 -9.022 0.000) 9.022 35.162 ( 0.000 2.177 0.000) 2.177 35.260 ( 0.000 -0.172 0.000) 0.172 35.293 ( 0.000 -0.437 0.000) 0.437 35.300 ( 0.000 0.089 0.000) 0.089 35.399 ( 0.000 -3.363 0.000) 3.363 36.487 ( 0.000 12.276 0.000) 12.276 37.228 ( 0.000 -6.684 0.000) 6.684 37.822 ( 0.000 0.121 0.000) 0.121 37.826 ( 0.000 0.059 0.000) 0.059 47.702 ( 0.000 1.295 0.000) 1.295 47.708 ( 0.000 1.278 0.000) 1.278 47.841 ( 0.000 -2.436 0.000) 2.436 47.890 ( 0.000 -3.804 0.000) 3.804 48.133 ( 0.000 2.784 0.000) 2.784 48.293 ( 0.000 -1.421 0.000) 1.421 48.368 ( 0.000 4.846 0.000) 4.846 48.641 ( 0.000 -2.373 0.000) 2.373 97.873 ( 0.000 0.647 0.000) 0.647 97.879 ( 0.000 0.553 0.000) 0.553 98.525 ( 0.000 5.864 0.000) 5.864 99.091 ( 0.000 -9.613 0.000) 9.613 99.489 ( 0.000 2.454 0.000) 2.454 99.587 ( 0.000 7.439 0.000) 7.439 99.775 ( 0.000 -4.246 0.000) 4.246 99.931 ( 0.000 -2.780 0.000) 2.780 104.716 ( 0.000 0.643 0.000) 0.643 104.785 ( 0.000 -1.139 0.000) 1.139 104.938 ( 0.000 1.232 0.000) 1.232 104.991 ( 0.000 2.292 0.000) 2.292 105.057 ( 0.000 -2.101 0.000) 2.101 105.160 ( 0.000 2.610 0.000) 2.610 105.178 ( 0.000 -2.320 0.000) 2.320 105.326 ( 0.000 -1.849 0.000) 1.849 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.835 ( 20.874 19.389 0.000) 28.489 0.927 ( 17.926 26.404 0.000) 31.914 1.314 ( 41.358 19.063 0.000) 45.540 2.072 ( 7.230 -13.809 0.000) 15.587 2.223 ( -1.461 -8.307 0.000) 8.434 2.320 ( -2.181 1.886 0.000) 2.883 2.335 ( 10.890 -2.369 0.000) 11.145 2.464 ( 5.495 7.942 0.000) 9.658 2.631 ( 16.117 0.033 0.000) 16.117 2.679 ( 5.692 3.564 0.000) 6.716 2.710 ( 3.400 -0.737 0.000) 3.479 2.838 ( 6.003 2.451 0.000) 6.484 2.885 ( 10.782 1.990 0.000) 10.964 3.019 ( 4.064 3.638 0.000) 5.454 3.065 ( 10.782 2.065 0.000) 10.978 3.228 ( 2.065 4.766 0.000) 5.194 3.430 ( 1.482 -2.840 0.000) 3.203 3.447 ( 9.737 3.747 0.000) 10.434 3.535 ( 0.398 -0.351 0.000) 0.531 3.543 ( 7.561 0.130 0.000) 7.562 3.628 ( 5.509 0.335 0.000) 5.520 3.779 ( 1.992 9.383 0.000) 9.593 3.864 ( 1.771 11.536 0.000) 11.672 3.921 ( 6.770 -3.870 0.000) 7.798 4.020 ( -2.075 -9.115 0.000) 9.348 4.051 ( 0.627 3.010 0.000) 3.075 4.190 ( 4.714 -13.641 0.000) 14.433 4.363 ( 2.101 -5.424 0.000) 5.816 4.544 ( -5.843 -7.153 0.000) 9.236 4.592 ( 4.991 -1.120 0.000) 5.116 4.697 ( 0.694 -4.715 0.000) 4.766 4.824 ( -5.612 -12.145 0.000) 13.379 5.261 ( -5.336 -1.659 0.000) 5.588 5.340 ( 6.337 1.742 0.000) 6.572 5.377 ( -3.386 -1.832 0.000) 3.849 5.437 ( -0.200 3.926 0.000) 3.931 5.469 ( -2.199 5.005 0.000) 5.467 5.692 ( 0.589 4.839 0.000) 4.875 5.701 ( -11.486 0.219 0.000) 11.488 5.864 ( -7.638 -2.813 0.000) 8.139 5.878 ( -3.345 -1.062 0.000) 3.509 6.000 ( -3.670 -0.383 0.000) 3.690 6.053 ( -1.034 5.955 0.000) 6.044 6.290 ( -3.453 0.950 0.000) 3.581 6.300 ( -7.826 -3.774 0.000) 8.688 6.449 ( -9.738 -10.052 0.000) 13.995 6.455 ( 1.904 -5.597 0.000) 5.912 6.601 ( -7.369 0.603 0.000) 7.393 6.662 ( -5.238 0.271 0.000) 5.245 6.678 ( -4.630 -1.114 0.000) 4.763 6.784 ( -12.123 11.088 0.000) 16.429 6.797 ( -3.084 1.966 0.000) 3.657 6.887 ( -3.705 2.275 0.000) 4.348 6.920 ( -7.698 2.550 0.000) 8.109 7.081 ( 3.869 2.607 0.000) 4.666 7.270 ( -2.618 3.001 0.000) 3.983 7.300 ( 1.729 3.958 0.000) 4.319 7.331 ( -0.937 -1.287 0.000) 1.592 7.392 ( -7.491 1.520 0.000) 7.643 7.422 ( 5.366 -2.896 0.000) 6.097 7.449 ( 2.082 -0.014 0.000) 2.082 7.554 ( -2.905 2.057 0.000) 3.560 7.782 ( 0.085 -7.289 0.000) 7.290 7.989 ( -5.658 -3.652 0.000) 6.734 8.086 ( 1.385 4.484 0.000) 4.693 8.168 ( 0.524 7.673 0.000) 7.691 8.379 ( -3.461 4.713 0.000) 5.848 8.383 ( -1.028 0.126 0.000) 1.036 8.554 ( -3.833 5.416 0.000) 6.635 8.566 ( -1.079 0.844 0.000) 1.370 8.673 ( 3.745 -2.299 0.000) 4.394 8.713 ( -0.309 -0.338 0.000) 0.458 9.316 ( -0.198 0.550 0.000) 0.585 9.382 ( -2.677 -0.303 0.000) 2.694 9.499 ( -3.870 -5.970 0.000) 7.115 9.572 ( -1.288 4.716 0.000) 4.889 9.628 ( -5.109 -1.717 0.000) 5.390 9.665 ( -2.197 -1.131 0.000) 2.471 9.710 ( -0.807 -0.273 0.000) 0.852 9.725 ( 0.614 -0.690 0.000) 0.924 9.893 ( -1.749 4.995 0.000) 5.293 10.076 ( 3.797 2.571 0.000) 4.586 10.137 ( -0.456 1.340 0.000) 1.416 10.273 ( -0.366 -1.954 0.000) 1.988 10.308 ( -6.310 -1.143 0.000) 6.413 10.406 ( -5.789 -1.318 0.000) 5.937 10.441 ( 12.111 2.419 0.000) 12.351 11.032 ( 18.040 -23.512 0.000) 29.635 11.211 ( 0.131 4.975 0.000) 4.977 11.499 ( -12.723 1.947 0.000) 12.871 11.606 ( 3.864 -3.940 0.000) 5.518 11.708 ( 2.935 -0.685 0.000) 3.014 11.732 ( 3.247 -3.613 0.000) 4.858 11.743 ( 6.537 -1.114 0.000) 6.631 12.126 ( -7.246 5.981 0.000) 9.396 12.450 ( -2.999 -7.066 0.000) 7.676 14.269 ( 6.057 1.115 0.000) 6.159 14.322 ( 4.694 0.296 0.000) 4.703 14.353 ( 5.138 -0.480 0.000) 5.161 14.470 ( 8.741 -7.081 0.000) 11.249 15.312 ( -0.969 3.710 0.000) 3.835 15.343 ( 0.505 -0.622 0.000) 0.801 15.412 ( -0.341 1.645 0.000) 1.680 15.449 ( -11.146 11.061 0.000) 15.703 15.544 ( -6.487 1.519 0.000) 6.663 15.616 ( 1.025 2.243 0.000) 2.466 15.629 ( -6.214 5.269 0.000) 8.147 15.806 ( 1.906 0.075 0.000) 1.908 15.845 ( 2.832 -0.021 0.000) 2.832 15.883 ( -0.003 -0.498 0.000) 0.498 16.044 ( 0.480 -1.900 0.000) 1.960 16.117 ( -1.618 5.685 0.000) 5.910 16.180 ( 2.038 -2.586 0.000) 3.293 16.320 ( -3.033 -2.772 0.000) 4.109 16.441 ( -5.001 3.212 0.000) 5.944 16.752 ( 0.560 -10.060 0.000) 10.075 17.166 ( 4.453 -1.165 0.000) 4.603 17.175 ( 4.049 -0.884 0.000) 4.144 17.504 ( -0.266 3.252 0.000) 3.263 17.735 ( -1.969 12.718 0.000) 12.869 17.772 ( -1.263 -2.698 0.000) 2.979 17.877 ( -2.086 2.914 0.000) 3.583 18.189 ( -2.329 -4.109 0.000) 4.723 18.460 ( 4.559 -16.352 0.000) 16.975 19.855 ( -0.170 -0.199 0.000) 0.262 19.884 ( 0.323 -0.869 0.000) 0.928 19.921 ( -0.540 -0.092 0.000) 0.548 19.934 ( -0.205 -0.366 0.000) 0.420 21.127 ( 5.712 1.953 0.000) 6.037 21.192 ( 2.049 -0.458 0.000) 2.100 21.234 ( 4.674 2.927 0.000) 5.515 21.575 ( 9.554 -4.283 0.000) 10.470 22.288 ( -10.643 0.993 0.000) 10.690 22.402 ( -7.271 -3.011 0.000) 7.870 22.558 ( -0.849 3.309 0.000) 3.416 22.833 ( 4.878 -5.541 0.000) 7.382 23.688 ( 12.685 0.845 0.000) 12.713 23.718 ( 13.695 0.343 0.000) 13.699 23.881 ( 21.250 0.990 0.000) 21.273 24.256 ( 29.173 -19.492 0.000) 35.086 26.210 ( -7.905 0.392 0.000) 7.915 26.244 ( -7.433 -0.405 0.000) 7.444 26.759 ( -7.981 1.274 0.000) 8.082 26.879 ( -8.784 -1.572 0.000) 8.923 28.243 ( 3.558 1.487 0.000) 3.856 28.384 ( 2.944 1.741 0.000) 3.421 28.389 ( 6.565 -1.955 0.000) 6.850 28.828 ( 19.007 -24.409 0.000) 30.937 31.303 ( -0.448 1.053 0.000) 1.144 31.326 ( -0.676 0.057 0.000) 0.678 31.337 ( -0.367 -0.262 0.000) 0.451 31.389 ( -0.464 -0.962 0.000) 1.068 34.132 ( -2.355 2.631 0.000) 3.531 34.183 ( -2.318 1.432 0.000) 2.725 34.309 ( -5.031 -1.408 0.000) 5.224 34.313 ( -2.907 -1.548 0.000) 3.293 34.820 ( 5.386 1.122 0.000) 5.502 35.097 ( 0.305 2.703 0.000) 2.720 35.147 ( 1.858 -2.793 0.000) 3.354 35.163 ( 1.046 -2.104 0.000) 2.350 35.181 ( -1.624 5.412 0.000) 5.651 35.342 ( 4.058 1.324 0.000) 4.269 35.374 ( 6.611 -1.063 0.000) 6.696 35.579 ( 8.350 -15.946 0.000) 18.000 36.474 ( -1.091 11.476 0.000) 11.528 37.185 ( -3.988 -6.526 0.000) 7.648 37.218 ( -32.609 31.634 0.000) 45.432 37.729 ( -8.830 -1.272 0.000) 8.921 47.704 ( -0.743 2.014 0.000) 2.147 47.709 ( 0.070 1.237 0.000) 1.239 47.711 ( -4.372 5.100 0.000) 6.718 47.882 ( -0.728 -3.566 0.000) 3.640 48.135 ( 1.232 1.749 0.000) 2.140 48.286 ( -0.855 -1.529 0.000) 1.752 48.355 ( -1.204 4.603 0.000) 4.758 48.618 ( -2.144 -2.312 0.000) 3.152 97.885 ( 1.108 0.628 0.000) 1.274 97.888 ( 1.049 0.556 0.000) 1.187 98.479 ( -4.257 5.087 0.000) 6.633 98.624 ( -22.667 17.808 0.000) 28.826 99.486 ( -0.280 2.386 0.000) 2.402 99.516 ( -1.706 4.407 0.000) 4.725 99.761 ( -1.207 -4.051 0.000) 4.227 99.929 ( -2.253 -4.564 0.000) 5.089 104.721 ( 0.484 0.682 0.000) 0.837 104.791 ( 0.614 -1.104 0.000) 1.264 104.926 ( -1.149 1.283 0.000) 1.722 104.997 ( 0.630 2.143 0.000) 2.234 105.019 ( -2.418 0.607 0.000) 2.493 105.108 ( -0.919 3.192 0.000) 3.321 105.173 ( -0.378 -2.161 0.000) 2.194 105.387 ( 0.291 -5.508 0.000) 5.516 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 17.489 22.745 0.000) 28.692 1.320 ( 24.063 8.925 0.000) 25.665 2.159 ( -3.136 11.908 0.000) 12.314 2.190 ( 35.895 5.545 0.000) 36.321 2.205 ( 7.075 -5.739 0.000) 9.110 2.372 ( 5.524 -12.398 0.000) 13.573 2.607 ( 7.395 7.100 0.000) 10.252 2.630 ( 12.564 -1.859 0.000) 12.701 2.738 ( 0.893 -1.626 0.000) 1.855 2.837 ( 8.619 1.809 0.000) 8.807 2.931 ( 2.787 5.224 0.000) 5.921 3.030 ( 17.705 1.475 0.000) 17.766 3.157 ( 10.693 -1.103 0.000) 10.749 3.164 ( 13.736 -2.227 0.000) 13.915 3.283 ( 3.531 7.469 0.000) 8.261 3.351 ( 15.305 2.342 0.000) 15.483 3.460 ( 2.415 -5.152 0.000) 5.690 3.582 ( 3.806 0.792 0.000) 3.888 3.606 ( 0.271 -4.272 0.000) 4.281 3.703 ( 12.756 4.825 0.000) 13.638 3.786 ( -0.387 5.343 0.000) 5.357 3.817 ( 9.144 -0.148 0.000) 9.145 3.922 ( 0.418 -4.040 0.000) 4.061 3.998 ( 2.742 5.101 0.000) 5.791 4.070 ( 7.950 2.997 0.000) 8.496 4.255 ( 17.022 -4.581 0.000) 17.628 4.310 ( 7.980 -3.044 0.000) 8.541 4.392 ( -7.741 -0.883 0.000) 7.791 4.421 ( 3.810 -7.651 0.000) 8.547 4.645 ( -10.857 -11.713 0.000) 15.971 4.721 ( 7.094 -1.618 0.000) 7.276 4.735 ( 3.838 -1.843 0.000) 4.257 5.117 ( -7.917 -1.601 0.000) 8.077 5.310 ( -2.939 1.516 0.000) 3.307 5.400 ( -3.579 5.695 0.000) 6.726 5.425 ( -1.650 0.769 0.000) 1.820 5.450 ( -9.299 1.618 0.000) 9.439 5.539 ( 10.112 -1.078 0.000) 10.170 5.659 ( -4.499 -0.158 0.000) 4.502 5.715 ( -5.309 -3.648 0.000) 6.442 5.774 ( -6.322 -2.172 0.000) 6.685 5.888 ( -4.926 1.235 0.000) 5.079 6.004 ( -5.591 3.190 0.000) 6.437 6.058 ( -14.050 -0.192 0.000) 14.052 6.198 ( -13.513 -6.804 0.000) 15.129 6.218 ( -2.690 0.930 0.000) 2.846 6.390 ( -11.826 0.673 0.000) 11.845 6.446 ( -4.985 -5.232 0.000) 7.227 6.533 ( -6.236 -0.063 0.000) 6.237 6.629 ( -0.640 -4.487 0.000) 4.532 6.666 ( -0.779 1.112 0.000) 1.358 6.711 ( -5.297 1.449 0.000) 5.492 6.769 ( -4.009 3.766 0.000) 5.501 6.778 ( -5.857 2.510 0.000) 6.373 7.159 ( 3.200 3.248 0.000) 4.560 7.160 ( -11.656 0.146 0.000) 11.657 7.220 ( -4.332 0.765 0.000) 4.399 7.290 ( -0.973 -2.724 0.000) 2.893 7.398 ( 5.280 3.335 0.000) 6.245 7.425 ( -5.504 -1.619 0.000) 5.737 7.544 ( 1.963 1.732 0.000) 2.618 7.545 ( 6.062 -3.871 0.000) 7.192 7.724 ( -5.605 -7.024 0.000) 8.986 7.866 ( -5.004 -1.256 0.000) 5.160 8.120 ( 2.050 7.552 0.000) 7.826 8.190 ( 1.326 11.224 0.000) 11.302 8.331 ( -1.241 1.707 0.000) 2.110 8.376 ( 0.184 0.719 0.000) 0.742 8.521 ( -0.992 4.774 0.000) 4.875 8.527 ( -2.652 1.059 0.000) 2.856 8.707 ( -1.085 -1.601 0.000) 1.934 8.728 ( 0.933 -1.742 0.000) 1.976 9.325 ( 1.256 -0.938 0.000) 1.567 9.333 ( -2.200 -2.209 0.000) 3.118 9.404 ( -4.255 -4.316 0.000) 6.061 9.498 ( -5.716 -2.084 0.000) 6.084 9.559 ( -0.462 3.654 0.000) 3.683 9.593 ( -3.313 -2.263 0.000) 4.012 9.695 ( -1.574 -2.369 0.000) 2.844 9.733 ( -0.367 -1.283 0.000) 1.334 9.906 ( 2.738 6.065 0.000) 6.655 10.128 ( -0.303 1.474 0.000) 1.504 10.143 ( 2.353 0.870 0.000) 2.509 10.186 ( -3.652 -0.361 0.000) 3.670 10.239 ( -2.685 -1.041 0.000) 2.880 10.280 ( -5.288 -0.853 0.000) 5.357 10.680 ( 6.952 1.416 0.000) 7.095 11.064 ( -10.700 -8.321 0.000) 13.555 11.214 ( 0.240 5.804 0.000) 5.809 11.249 ( -6.148 6.573 0.000) 9.001 11.676 ( 2.124 -5.026 0.000) 5.457 11.781 ( 4.524 1.031 0.000) 4.640 11.801 ( -0.597 -7.195 0.000) 7.220 11.909 ( 8.125 -3.441 0.000) 8.824 11.972 ( -5.990 4.892 0.000) 7.734 12.353 ( -4.656 -7.942 0.000) 9.206 14.419 ( 7.466 1.214 0.000) 7.564 14.441 ( 6.031 0.405 0.000) 6.045 14.488 ( 7.198 -0.758 0.000) 7.238 14.622 ( 5.843 -5.237 0.000) 7.846 15.279 ( -4.744 10.712 0.000) 11.716 15.281 ( -1.851 5.659 0.000) 5.954 15.350 ( -0.254 -0.451 0.000) 0.517 15.387 ( -1.879 0.943 0.000) 2.103 15.422 ( -5.603 0.383 0.000) 5.616 15.522 ( -5.090 2.071 0.000) 5.495 15.648 ( 2.069 0.812 0.000) 2.223 15.876 ( -0.817 -2.992 0.000) 3.101 15.891 ( 5.864 -0.637 0.000) 5.899 15.929 ( 5.196 -0.654 0.000) 5.237 16.062 ( 1.609 -0.161 0.000) 1.617 16.076 ( -1.965 4.707 0.000) 5.101 16.236 ( 3.229 -2.061 0.000) 3.831 16.249 ( -3.048 0.866 0.000) 3.169 16.394 ( -0.731 0.532 0.000) 0.904 16.695 ( -5.026 -7.134 0.000) 8.726 17.206 ( 3.106 0.658 0.000) 3.175 17.337 ( 7.609 -3.711 0.000) 8.466 17.494 ( -0.751 3.284 0.000) 3.369 17.724 ( -0.680 10.550 0.000) 10.572 17.732 ( -2.660 -0.788 0.000) 2.775 17.823 ( -2.737 1.247 0.000) 3.008 18.118 ( -4.221 -4.183 0.000) 5.943 18.368 ( -9.421 -8.164 0.000) 12.466 19.854 ( 0.239 0.077 0.000) 0.251 19.894 ( 0.359 -1.157 0.000) 1.211 19.906 ( -0.771 0.044 0.000) 0.773 19.926 ( -0.521 -0.403 0.000) 0.659 21.262 ( 4.798 -0.085 0.000) 4.799 21.278 ( 8.503 -1.097 0.000) 8.573 21.406 ( 11.632 6.030 0.000) 13.102 21.835 ( 14.673 -4.759 0.000) 15.425 22.051 ( -11.813 1.483 0.000) 11.905 22.228 ( -9.568 -3.754 0.000) 10.278 22.472 ( -7.056 4.974 0.000) 8.633 22.838 ( -3.478 -4.515 0.000) 5.699 24.057 ( 21.781 1.054 0.000) 21.806 24.108 ( 22.679 -0.151 0.000) 22.680 24.457 ( 31.749 0.923 0.000) 31.762 24.771 ( 22.723 -9.113 0.000) 24.482 25.967 ( -15.254 0.550 0.000) 15.264 26.014 ( -14.548 -0.555 0.000) 14.559 26.520 ( -14.662 1.144 0.000) 14.707 26.626 ( -15.257 -1.338 0.000) 15.316 28.341 ( 5.355 2.012 0.000) 5.720 28.457 ( 3.655 2.690 0.000) 4.538 28.559 ( 9.151 -3.173 0.000) 9.685 29.044 ( 3.430 -18.146 0.000) 18.467 31.293 ( -0.503 0.937 0.000) 1.064 31.310 ( -0.664 0.085 0.000) 0.669 31.325 ( -0.776 -0.405 0.000) 0.875 31.373 ( -1.081 -0.949 0.000) 1.438 34.076 ( -2.627 1.858 0.000) 3.217 34.122 ( -3.219 1.335 0.000) 3.485 34.197 ( -5.111 -0.979 0.000) 5.204 34.233 ( -4.416 -1.269 0.000) 4.595 34.941 ( 5.597 0.319 0.000) 5.606 35.109 ( 0.685 2.690 0.000) 2.776 35.191 ( 2.476 4.928 0.000) 5.515 35.193 ( 2.033 6.151 0.000) 6.478 35.229 ( 4.858 -6.427 0.000) 8.057 35.448 ( 5.507 -0.488 0.000) 5.529 35.528 ( 7.294 -1.374 0.000) 7.422 35.676 ( 1.399 -15.042 0.000) 15.106 36.454 ( -0.476 9.171 0.000) 9.183 36.748 ( -14.477 24.125 0.000) 28.136 37.076 ( -5.955 -6.038 0.000) 8.480 37.490 ( -13.318 -3.715 0.000) 13.826 47.662 ( -0.173 3.642 0.000) 3.646 47.710 ( -0.035 1.143 0.000) 1.144 47.718 ( 0.913 0.538 0.000) 1.060 47.860 ( -1.393 -2.907 0.000) 3.224 48.181 ( 3.006 0.576 0.000) 3.060 48.265 ( -0.882 -1.065 0.000) 1.383 48.322 ( -1.857 3.887 0.000) 4.308 48.555 ( -3.837 -2.107 0.000) 4.378 97.915 ( 1.927 0.810 0.000) 2.090 97.928 ( 2.695 0.430 0.000) 2.729 98.314 ( -9.351 9.988 0.000) 13.682 98.368 ( -6.515 3.485 0.000) 7.389 99.478 ( -0.401 2.259 0.000) 2.294 99.494 ( -0.787 2.499 0.000) 2.620 99.734 ( -1.174 -3.688 0.000) 3.870 99.860 ( -3.782 -4.682 0.000) 6.019 104.737 ( 1.021 0.790 0.000) 1.291 104.811 ( 1.225 -1.013 0.000) 1.590 104.893 ( -1.976 1.347 0.000) 2.392 104.974 ( -2.028 0.284 0.000) 2.048 105.016 ( 1.126 1.806 0.000) 2.128 105.098 ( -0.392 1.996 0.000) 2.034 105.168 ( 0.006 -1.845 0.000) 1.845 105.349 ( -3.099 -3.810 0.000) 4.911 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.630 ( 14.562 17.220 0.000) 22.552 1.771 ( 16.452 2.738 0.000) 16.678 2.130 ( 1.847 16.394 0.000) 16.498 2.341 ( 5.369 -5.566 0.000) 7.734 2.502 ( 6.222 -10.745 0.000) 12.416 2.623 ( 3.201 5.113 0.000) 6.032 2.729 ( -1.778 -1.181 0.000) 2.134 2.737 ( 3.200 2.111 0.000) 3.833 2.756 ( 3.277 3.523 0.000) 4.811 2.945 ( -1.229 5.277 0.000) 5.418 3.043 ( 11.339 0.929 0.000) 11.377 3.298 ( 6.655 1.595 0.000) 6.844 3.392 ( 7.671 -4.665 0.000) 8.978 3.429 ( 8.773 -0.726 0.000) 8.803 3.444 ( 9.176 0.810 0.000) 9.212 3.535 ( 7.051 -3.803 0.000) 8.011 3.583 ( -5.222 9.292 0.000) 10.659 3.662 ( 13.236 1.673 0.000) 13.341 3.667 ( 9.373 -3.071 0.000) 9.863 3.833 ( 4.549 -5.085 0.000) 6.822 3.896 ( -0.841 -5.449 0.000) 5.514 3.898 ( 4.753 2.181 0.000) 5.229 3.985 ( 7.751 -3.225 0.000) 8.395 4.105 ( 4.916 6.212 0.000) 7.922 4.186 ( 2.372 3.376 0.000) 4.126 4.260 ( -4.513 2.236 0.000) 5.036 4.390 ( -1.580 -0.774 0.000) 1.760 4.417 ( -9.722 -9.920 0.000) 13.890 4.636 ( 17.904 -4.578 0.000) 18.480 4.698 ( 21.725 -3.232 0.000) 21.964 4.882 ( 10.193 1.423 0.000) 10.292 4.898 ( 10.331 0.449 0.000) 10.340 4.973 ( -4.969 0.428 0.000) 4.987 5.242 ( -3.842 2.629 0.000) 4.655 5.259 ( -3.965 -0.247 0.000) 3.973 5.363 ( -2.463 5.030 0.000) 5.601 5.381 ( -4.995 -1.769 0.000) 5.299 5.485 ( -10.969 -0.510 0.000) 10.981 5.628 ( -10.702 -3.701 0.000) 11.323 5.635 ( -2.571 -6.652 0.000) 7.132 5.678 ( -15.393 -0.072 0.000) 15.393 5.692 ( 3.668 -1.172 0.000) 3.851 5.793 ( -17.985 -4.221 0.000) 18.474 5.967 ( -7.799 1.255 0.000) 7.899 5.969 ( 12.921 4.619 0.000) 13.721 6.184 ( -6.545 -0.079 0.000) 6.546 6.197 ( 0.362 -2.779 0.000) 2.803 6.310 ( -4.717 0.212 0.000) 4.721 6.407 ( -6.393 -2.155 0.000) 6.746 6.574 ( -6.525 5.560 0.000) 8.573 6.607 ( -0.448 3.533 0.000) 3.561 6.658 ( -0.646 -4.016 0.000) 4.067 6.693 ( -2.488 0.996 0.000) 2.680 6.816 ( 6.346 -6.461 0.000) 9.056 6.869 ( -15.033 1.084 0.000) 15.072 7.136 ( -5.317 -4.083 0.000) 6.704 7.224 ( 3.319 3.179 0.000) 4.596 7.268 ( -0.994 -3.737 0.000) 3.867 7.285 ( -5.925 -3.090 0.000) 6.682 7.502 ( -7.516 -6.014 0.000) 9.626 7.522 ( 6.007 3.385 0.000) 6.895 7.647 ( -0.063 3.768 0.000) 3.768 7.661 ( 4.852 -2.301 0.000) 5.369 7.790 ( -2.592 0.832 0.000) 2.722 8.162 ( 1.609 10.542 0.000) 10.664 8.208 ( 0.024 12.707 0.000) 12.707 8.328 ( 1.239 -0.344 0.000) 1.286 8.379 ( 0.065 -0.170 0.000) 0.182 8.464 ( -2.919 -0.029 0.000) 2.919 8.484 ( -2.582 2.326 0.000) 3.475 8.674 ( -1.488 0.073 0.000) 1.490 8.708 ( -2.298 0.370 0.000) 2.328 9.297 ( -1.027 -2.765 0.000) 2.949 9.333 ( -1.781 -3.845 0.000) 4.237 9.379 ( 2.581 -4.483 0.000) 5.172 9.418 ( -1.585 -4.091 0.000) 4.387 9.538 ( -1.956 -0.551 0.000) 2.032 9.555 ( -0.297 2.396 0.000) 2.414 9.659 ( -1.335 -2.117 0.000) 2.503 9.700 ( -2.576 -1.004 0.000) 2.764 9.981 ( 4.284 5.278 0.000) 6.798 10.122 ( -0.952 2.077 0.000) 2.285 10.177 ( -1.342 0.899 0.000) 1.615 10.177 ( 0.077 0.960 0.000) 0.963 10.205 ( 4.818 0.382 0.000) 4.833 10.228 ( 2.332 -1.805 0.000) 2.948 10.627 ( -11.352 -0.909 0.000) 11.388 10.759 ( -15.374 -4.020 0.000) 15.891 11.221 ( 0.286 6.324 0.000) 6.330 11.221 ( 0.066 7.982 0.000) 7.982 11.709 ( 1.429 -4.628 0.000) 4.844 11.740 ( -1.179 -3.950 0.000) 4.123 11.858 ( 2.229 1.336 0.000) 2.598 11.906 ( -2.236 3.203 0.000) 3.906 12.066 ( 6.841 -5.248 0.000) 8.622 12.274 ( -3.409 -8.407 0.000) 9.072 14.550 ( 4.533 1.045 0.000) 4.652 14.550 ( 4.073 0.641 0.000) 4.123 14.631 ( 6.059 -1.346 0.000) 6.207 14.712 ( 2.617 -3.341 0.000) 4.244 15.220 ( -1.369 7.432 0.000) 7.557 15.242 ( -1.718 6.214 0.000) 6.447 15.314 ( -2.514 -0.054 0.000) 2.515 15.323 ( -3.553 0.420 0.000) 3.578 15.364 ( -0.306 1.210 0.000) 1.248 15.426 ( -3.764 2.294 0.000) 4.408 15.703 ( 3.232 -0.684 0.000) 3.304 15.843 ( -2.458 -3.736 0.000) 4.472 16.010 ( 2.781 -3.058 0.000) 4.134 16.025 ( 5.095 -0.282 0.000) 5.103 16.043 ( -1.099 2.477 0.000) 2.709 16.155 ( 7.977 2.003 0.000) 8.224 16.196 ( -2.485 1.475 0.000) 2.890 16.308 ( 3.528 -0.856 0.000) 3.630 16.379 ( -1.039 -0.358 0.000) 1.099 16.559 ( -7.788 -3.474 0.000) 8.528 17.295 ( 5.129 1.755 0.000) 5.421 17.469 ( -1.912 3.202 0.000) 3.729 17.489 ( 6.905 -3.672 0.000) 7.821 17.665 ( -3.392 1.071 0.000) 3.557 17.697 ( -1.411 7.286 0.000) 7.421 17.769 ( -2.726 -0.425 0.000) 2.758 18.032 ( -3.223 -4.222 0.000) 5.311 18.162 ( -9.032 -5.225 0.000) 10.435 19.865 ( 0.740 0.088 0.000) 0.745 19.891 ( -0.647 0.103 0.000) 0.655 19.896 ( -0.012 -0.768 0.000) 0.768 19.913 ( -0.712 -0.413 0.000) 0.823 21.390 ( 7.618 0.719 0.000) 7.652 21.488 ( 11.496 -2.732 0.000) 11.816 21.689 ( 14.864 7.067 0.000) 16.458 21.805 ( -11.609 1.775 0.000) 11.744 22.004 ( -11.848 -3.909 0.000) 12.477 22.158 ( 15.703 -4.974 0.000) 16.472 22.276 ( -11.613 6.254 0.000) 13.190 22.705 ( -9.118 -4.596 0.000) 10.211 24.559 ( 25.647 1.094 0.000) 25.671 24.624 ( 26.079 -0.480 0.000) 26.083 25.127 ( 31.352 0.209 0.000) 31.353 25.249 ( 23.371 -2.973 0.000) 23.560 25.584 ( -21.321 0.766 0.000) 21.335 25.644 ( -20.742 -0.680 0.000) 20.753 26.160 ( -19.607 0.868 0.000) 19.626 26.248 ( -20.994 -1.183 0.000) 21.028 28.448 ( 4.542 2.552 0.000) 5.210 28.516 ( 1.633 3.178 0.000) 3.573 28.751 ( 8.977 -4.735 0.000) 10.149 29.034 ( -3.463 -11.028 0.000) 11.559 31.286 ( -0.116 0.645 0.000) 0.656 31.301 ( -0.380 -0.035 0.000) 0.382 31.310 ( -0.381 -0.257 0.000) 0.460 31.346 ( -1.418 -0.770 0.000) 1.614 34.035 ( -1.047 1.177 0.000) 1.576 34.062 ( -2.253 1.068 0.000) 2.493 34.112 ( -2.812 -0.638 0.000) 2.884 34.143 ( -3.821 -0.844 0.000) 3.913 35.040 ( 3.783 0.380 0.000) 3.802 35.116 ( -0.162 2.136 0.000) 2.142 35.244 ( 2.358 6.614 0.000) 7.022 35.244 ( 2.340 5.059 0.000) 5.574 35.350 ( 6.377 -4.757 0.000) 7.956 35.531 ( 1.097 -4.951 0.000) 5.071 35.648 ( 3.783 -0.348 0.000) 3.799 35.675 ( -0.257 -6.285 0.000) 6.290 36.465 ( 1.426 6.302 0.000) 6.462 36.550 ( -5.315 13.441 0.000) 14.454 36.971 ( -2.996 -5.348 0.000) 6.130 37.210 ( -12.670 -5.077 0.000) 13.649 47.674 ( 0.986 1.890 0.000) 2.132 47.706 ( -0.366 1.085 0.000) 1.145 47.744 ( 1.627 -0.135 0.000) 1.633 47.825 ( -1.896 -1.979 0.000) 2.741 48.240 ( 1.098 0.223 0.000) 1.120 48.271 ( 3.035 -0.557 0.000) 3.086 48.283 ( -1.723 2.767 0.000) 3.259 48.464 ( -4.782 -1.724 0.000) 5.083 97.968 ( 3.214 1.279 0.000) 3.459 98.000 ( 4.181 0.408 0.000) 4.201 98.160 ( -6.089 4.752 0.000) 7.723 98.230 ( -6.574 1.655 0.000) 6.779 99.471 ( -0.215 2.183 0.000) 2.194 99.479 ( -0.573 2.186 0.000) 2.260 99.721 ( 0.015 -3.554 0.000) 3.554 99.786 ( -3.054 -4.336 0.000) 5.304 104.764 ( 1.586 0.945 0.000) 1.846 104.842 ( 1.787 -0.876 0.000) 1.990 104.848 ( -2.249 1.277 0.000) 2.586 104.930 ( -2.217 -0.304 0.000) 2.238 105.042 ( 1.288 1.516 0.000) 1.990 105.087 ( -0.744 1.635 0.000) 1.797 105.179 ( 1.148 -1.693 0.000) 2.046 105.279 ( -3.366 -2.654 0.000) 4.287 ======================= Grid point 13 (10/45) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -6.057 11.566 0.000) 13.056 1.856 ( 6.057 11.566 0.000) 13.056 2.308 ( -10.258 3.062 0.000) 10.705 2.308 ( 10.258 3.062 0.000) 10.705 2.587 ( -1.439 -3.332 0.000) 3.629 2.587 ( 1.439 -3.332 0.000) 3.629 2.709 ( -1.483 -0.396 0.000) 1.535 2.709 ( 1.483 -0.396 0.000) 1.535 2.878 ( -5.136 5.135 0.000) 7.263 2.878 ( 5.136 5.135 0.000) 7.263 3.271 ( -8.933 1.654 0.000) 9.085 3.271 ( 8.933 1.654 0.000) 9.085 3.480 ( -0.201 1.664 0.000) 1.676 3.480 ( 0.201 1.664 0.000) 1.676 3.493 ( -0.687 -0.442 0.000) 0.817 3.493 ( 0.687 -0.442 0.000) 0.817 3.771 ( -9.130 -2.959 0.000) 9.598 3.771 ( 9.130 -2.959 0.000) 9.598 3.861 ( -2.351 -1.746 0.000) 2.929 3.861 ( 2.351 -1.746 0.000) 2.929 3.902 ( -3.179 -3.900 0.000) 5.031 3.902 ( 3.179 -3.900 0.000) 5.031 4.123 ( -4.463 2.108 0.000) 4.936 4.123 ( 4.463 2.108 0.000) 4.936 4.220 ( -1.362 -5.059 0.000) 5.239 4.220 ( 1.362 -5.059 0.000) 5.239 4.315 ( -2.390 2.726 0.000) 3.625 4.315 ( 2.390 2.726 0.000) 3.625 4.906 ( -4.068 2.336 0.000) 4.691 4.906 ( 4.068 2.336 0.000) 4.691 5.069 ( -14.012 -0.024 0.000) 14.012 5.069 ( 14.012 -0.024 0.000) 14.012 5.157 ( -12.476 -2.028 0.000) 12.640 5.157 ( 12.476 -2.028 0.000) 12.640 5.204 ( -22.164 0.091 0.000) 22.164 5.204 ( 22.164 0.091 0.000) 22.164 5.345 ( -2.217 4.738 0.000) 5.231 5.345 ( 2.217 4.738 0.000) 5.231 5.392 ( -16.261 -4.136 0.000) 16.779 5.392 ( 16.261 -4.136 0.000) 16.779 5.601 ( -0.157 -5.539 0.000) 5.541 5.601 ( 0.157 -5.539 0.000) 5.541 5.811 ( -7.121 -0.138 0.000) 7.122 5.811 ( 7.121 -0.138 0.000) 7.122 6.123 ( -0.374 -1.465 0.000) 1.512 6.123 ( 0.374 -1.465 0.000) 1.512 6.261 ( -7.095 -0.246 0.000) 7.099 6.261 ( 7.095 -0.246 0.000) 7.099 6.410 ( -11.442 3.216 0.000) 11.885 6.410 ( 11.442 3.216 0.000) 11.885 6.625 ( -4.091 3.593 0.000) 5.445 6.625 ( 4.091 3.593 0.000) 5.445 6.663 ( -1.327 -0.784 0.000) 1.541 6.663 ( 1.327 -0.784 0.000) 1.541 6.977 ( -8.691 -8.696 0.000) 12.295 6.977 ( 8.691 -8.696 0.000) 12.295 7.235 ( -0.351 -2.275 0.000) 2.302 7.235 ( 0.351 -2.275 0.000) 2.302 7.339 ( -6.810 -2.218 0.000) 7.162 7.339 ( 6.810 -2.218 0.000) 7.162 7.623 ( -3.151 3.955 0.000) 5.057 7.623 ( 3.151 3.955 0.000) 5.057 7.741 ( -2.739 0.416 0.000) 2.771 7.741 ( 2.739 0.416 0.000) 2.771 8.190 ( -1.341 11.457 0.000) 11.535 8.190 ( 1.341 11.457 0.000) 11.535 8.370 ( -1.737 0.750 0.000) 1.892 8.370 ( 1.737 0.750 0.000) 1.892 8.435 ( -1.033 -0.651 0.000) 1.221 8.435 ( 1.033 -0.651 0.000) 1.221 8.666 ( -1.027 1.322 0.000) 1.674 8.666 ( 1.027 1.322 0.000) 1.674 9.299 ( -1.177 -3.561 0.000) 3.750 9.299 ( 1.177 -3.561 0.000) 3.750 9.412 ( -0.015 -6.687 0.000) 6.687 9.412 ( 0.015 -6.687 0.000) 6.687 9.534 ( -1.475 1.970 0.000) 2.461 9.534 ( 1.475 1.970 0.000) 2.461 9.654 ( -1.092 -1.138 0.000) 1.577 9.654 ( 1.092 -1.138 0.000) 1.577 10.066 ( -3.584 4.404 0.000) 5.678 10.066 ( 3.584 4.404 0.000) 5.678 10.175 ( -0.876 1.318 0.000) 1.583 10.175 ( 0.876 1.318 0.000) 1.583 10.352 ( -11.921 -1.038 0.000) 11.966 10.352 ( 11.921 -1.038 0.000) 11.966 10.441 ( -14.272 -2.204 0.000) 14.441 10.441 ( 14.272 -2.204 0.000) 14.441 11.222 ( -0.093 7.074 0.000) 7.074 11.222 ( 0.093 7.074 0.000) 7.074 11.737 ( -0.797 -4.942 0.000) 5.006 11.737 ( 0.797 -4.942 0.000) 5.006 11.876 ( -0.339 3.102 0.000) 3.121 11.876 ( 0.339 3.102 0.000) 3.121 12.190 ( -4.927 -7.023 0.000) 8.578 12.190 ( 4.927 -7.023 0.000) 8.578 14.597 ( -0.094 0.872 0.000) 0.877 14.597 ( 0.094 0.872 0.000) 0.877 14.720 ( -2.077 -2.202 0.000) 3.027 14.720 ( 2.077 -2.202 0.000) 3.027 15.215 ( -0.720 6.156 0.000) 6.198 15.215 ( 0.720 6.156 0.000) 6.198 15.284 ( -0.125 0.324 0.000) 0.348 15.284 ( 0.125 0.324 0.000) 0.348 15.373 ( -1.354 2.079 0.000) 2.481 15.373 ( 1.354 2.079 0.000) 2.481 15.777 ( -3.614 -2.316 0.000) 4.292 15.777 ( 3.614 -2.316 0.000) 4.292 16.030 ( -0.386 -0.694 0.000) 0.795 16.030 ( 0.386 -0.694 0.000) 0.795 16.129 ( -4.115 0.551 0.000) 4.152 16.129 ( 4.115 0.551 0.000) 4.152 16.326 ( -5.676 -1.176 0.000) 5.797 16.326 ( 5.676 -1.176 0.000) 5.797 16.394 ( -6.304 0.534 0.000) 6.327 16.394 ( 6.304 0.534 0.000) 6.327 17.401 ( -4.590 2.646 0.000) 5.298 17.401 ( 4.590 2.646 0.000) 5.298 17.602 ( -3.346 -0.648 0.000) 3.408 17.602 ( 3.346 -0.648 0.000) 3.408 17.702 ( -2.743 2.156 0.000) 3.489 17.702 ( 2.743 2.156 0.000) 3.489 18.027 ( -3.320 -4.398 0.000) 5.511 18.027 ( 3.320 -4.398 0.000) 5.511 19.880 ( -0.557 0.056 0.000) 0.559 19.880 ( 0.557 0.056 0.000) 0.559 19.900 ( -0.450 -0.461 0.000) 0.644 19.900 ( 0.450 -0.461 0.000) 0.644 21.577 ( -10.143 1.465 0.000) 10.248 21.577 ( 10.143 1.465 0.000) 10.248 21.744 ( -12.763 -3.613 0.000) 13.264 21.744 ( 12.763 -3.613 0.000) 13.264 22.000 ( -14.499 7.026 0.000) 16.111 22.000 ( 14.499 7.026 0.000) 16.111 22.467 ( -13.482 -4.868 0.000) 14.334 22.467 ( 13.482 -4.868 0.000) 14.334 25.095 ( -25.147 0.974 0.000) 25.166 25.095 ( 25.147 0.974 0.000) 25.166 25.163 ( -25.019 -0.671 0.000) 25.028 25.163 ( 25.019 -0.671 0.000) 25.028 25.712 ( -23.730 0.056 0.000) 23.730 25.712 ( 23.730 0.056 0.000) 23.730 25.756 ( -25.610 -0.968 0.000) 25.628 25.756 ( 25.610 -0.968 0.000) 25.628 28.516 ( -1.746 3.024 0.000) 3.492 28.516 ( 1.746 3.024 0.000) 3.492 28.921 ( -7.070 -7.047 0.000) 9.982 28.921 ( 7.070 -7.047 0.000) 9.982 31.289 ( -0.478 0.232 0.000) 0.531 31.289 ( 0.478 0.232 0.000) 0.531 31.319 ( -1.029 -0.448 0.000) 1.122 31.319 ( 1.029 -0.448 0.000) 1.122 34.033 ( -0.657 0.864 0.000) 1.086 34.033 ( 0.657 0.864 0.000) 1.086 34.090 ( -0.897 -0.522 0.000) 1.038 34.090 ( 0.897 -0.522 0.000) 1.038 35.097 ( -1.757 1.226 0.000) 2.142 35.097 ( 1.757 1.226 0.000) 2.142 35.272 ( -0.009 6.294 0.000) 6.294 35.272 ( 0.009 6.294 0.000) 6.294 35.476 ( -5.242 -6.742 0.000) 8.540 35.476 ( 5.242 -6.742 0.000) 8.540 35.683 ( -0.081 0.132 0.000) 0.155 35.683 ( 0.081 0.132 0.000) 0.155 36.493 ( -1.230 6.842 0.000) 6.952 36.493 ( 1.230 6.842 0.000) 6.952 37.001 ( -6.384 -5.148 0.000) 8.200 37.001 ( 6.384 -5.148 0.000) 8.200 47.694 ( -0.803 1.227 0.000) 1.466 47.694 ( 0.803 1.227 0.000) 1.466 47.784 ( -2.039 -0.991 0.000) 2.267 47.784 ( 2.039 -0.991 0.000) 2.267 48.255 ( -0.961 1.422 0.000) 1.716 48.255 ( 0.961 1.422 0.000) 1.716 48.362 ( -4.863 -1.158 0.000) 4.999 48.362 ( 4.863 -1.158 0.000) 4.999 98.049 ( -4.572 2.351 0.000) 5.141 98.049 ( 4.572 2.351 0.000) 5.141 98.102 ( -5.593 0.728 0.000) 5.640 98.102 ( 5.593 0.728 0.000) 5.640 99.471 ( -0.205 2.159 0.000) 2.168 99.471 ( 0.205 2.159 0.000) 2.168 99.737 ( -1.596 -3.818 0.000) 4.138 99.737 ( 1.596 -3.818 0.000) 4.138 104.802 ( -2.058 1.121 0.000) 2.344 104.802 ( 2.058 1.121 0.000) 2.344 104.884 ( -2.167 -0.664 0.000) 2.267 104.884 ( 2.167 -0.664 0.000) 2.267 105.067 ( -1.101 1.460 0.000) 1.829 105.067 ( 1.101 1.460 0.000) 1.829 105.217 ( -2.482 -1.948 0.000) 3.155 105.217 ( 2.482 -1.948 0.000) 3.155 ======================= Grid point 18 (11/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 26.557 0.000) 26.557 1.184 ( 0.000 31.516 0.000) 31.516 1.491 ( 0.000 -17.672 0.000) 17.672 1.681 ( 0.000 24.054 0.000) 24.054 1.770 ( 0.000 -27.923 0.000) 27.923 2.096 ( 0.000 -13.584 0.000) 13.584 2.468 ( 0.000 5.174 0.000) 5.174 2.568 ( 0.000 -4.948 0.000) 4.948 2.585 ( 0.000 7.502 0.000) 7.502 2.604 ( 0.000 8.988 0.000) 8.988 2.656 ( 0.000 -0.377 0.000) 0.377 2.738 ( 0.000 -4.279 0.000) 4.279 2.896 ( 0.000 5.080 0.000) 5.080 2.950 ( 0.000 -0.847 0.000) 0.847 3.113 ( 0.000 8.664 0.000) 8.664 3.269 ( 0.000 -5.898 0.000) 5.898 3.323 ( 0.000 5.091 0.000) 5.091 3.381 ( 0.000 -3.700 0.000) 3.700 3.534 ( 0.000 6.316 0.000) 6.316 3.615 ( 0.000 7.376 0.000) 7.376 3.634 ( 0.000 8.523 0.000) 8.523 3.717 ( 0.000 -10.534 0.000) 10.534 3.809 ( 0.000 -11.820 0.000) 11.820 3.821 ( 0.000 -11.656 0.000) 11.656 3.985 ( 0.000 12.941 0.000) 12.941 4.071 ( 0.000 1.681 0.000) 1.681 4.110 ( 0.000 7.683 0.000) 7.683 4.193 ( 0.000 -9.338 0.000) 9.338 4.412 ( 0.000 -5.195 0.000) 5.195 4.576 ( 0.000 2.819 0.000) 2.819 4.584 ( 0.000 -15.627 0.000) 15.627 4.627 ( 0.000 -2.288 0.000) 2.288 5.317 ( 0.000 1.220 0.000) 1.220 5.342 ( 0.000 4.415 0.000) 4.415 5.367 ( 0.000 -3.220 0.000) 3.220 5.429 ( 0.000 -3.559 0.000) 3.559 5.612 ( 0.000 6.262 0.000) 6.262 5.718 ( 0.000 -3.579 0.000) 3.579 5.823 ( 0.000 2.781 0.000) 2.781 5.900 ( 0.000 -4.184 0.000) 4.184 6.010 ( 0.000 9.729 0.000) 9.729 6.080 ( 0.000 4.278 0.000) 4.278 6.195 ( 0.000 -7.552 0.000) 7.552 6.207 ( 0.000 8.204 0.000) 8.204 6.215 ( 0.000 -10.512 0.000) 10.512 6.369 ( 0.000 -8.480 0.000) 8.480 6.559 ( 0.000 7.882 0.000) 7.882 6.691 ( 0.000 -5.210 0.000) 5.210 6.699 ( 0.000 0.782 0.000) 0.782 6.712 ( 0.000 -0.460 0.000) 0.460 6.894 ( 0.000 3.262 0.000) 3.262 6.941 ( 0.000 -1.071 0.000) 1.071 6.960 ( 0.000 0.462 0.000) 0.462 7.002 ( 0.000 -3.628 0.000) 3.628 7.137 ( 0.000 5.628 0.000) 5.628 7.256 ( 0.000 -5.747 0.000) 5.747 7.389 ( 0.000 4.614 0.000) 4.614 7.397 ( 0.000 5.432 0.000) 5.432 7.428 ( 0.000 0.768 0.000) 0.768 7.435 ( 0.000 -0.263 0.000) 0.263 7.462 ( 0.000 -0.242 0.000) 0.242 7.565 ( 0.000 -9.342 0.000) 9.342 7.780 ( 0.000 10.334 0.000) 10.334 7.959 ( 0.000 -7.383 0.000) 7.383 8.200 ( 0.000 10.885 0.000) 10.885 8.258 ( 0.000 3.989 0.000) 3.989 8.332 ( 0.000 -3.866 0.000) 3.866 8.440 ( 0.000 -12.549 0.000) 12.549 8.592 ( 0.000 0.649 0.000) 0.649 8.597 ( 0.000 8.363 0.000) 8.363 8.603 ( 0.000 -0.608 0.000) 0.608 8.742 ( 0.000 -6.611 0.000) 6.611 9.350 ( 0.000 2.302 0.000) 2.302 9.419 ( 0.000 -4.964 0.000) 4.964 9.570 ( 0.000 3.318 0.000) 3.318 9.631 ( 0.000 -2.865 0.000) 2.865 9.672 ( 0.000 3.387 0.000) 3.387 9.700 ( 0.000 1.648 0.000) 1.648 9.718 ( 0.000 -1.237 0.000) 1.237 9.728 ( 0.000 -1.083 0.000) 1.083 9.999 ( 0.000 3.813 0.000) 3.813 10.056 ( 0.000 -1.033 0.000) 1.033 10.176 ( 0.000 2.289 0.000) 2.289 10.224 ( 0.000 -2.435 0.000) 2.435 10.297 ( 0.000 1.947 0.000) 1.947 10.335 ( 0.000 -1.851 0.000) 1.851 10.384 ( 0.000 1.726 0.000) 1.726 10.434 ( 0.000 -2.705 0.000) 2.705 11.321 ( 0.000 6.728 0.000) 6.728 11.455 ( 0.000 -6.634 0.000) 6.634 11.650 ( 0.000 1.126 0.000) 1.126 11.672 ( 0.000 1.124 0.000) 1.124 11.676 ( 0.000 -1.475 0.000) 1.475 11.697 ( 0.000 -1.311 0.000) 1.311 12.308 ( 0.000 3.448 0.000) 3.448 12.379 ( 0.000 -3.642 0.000) 3.642 14.229 ( 0.000 2.018 0.000) 2.018 14.277 ( 0.000 0.450 0.000) 0.450 14.277 ( 0.000 -2.802 0.000) 2.802 14.287 ( 0.000 -0.527 0.000) 0.527 15.327 ( 0.000 -0.101 0.000) 0.101 15.331 ( 0.000 -0.340 0.000) 0.340 15.523 ( 0.000 6.926 0.000) 6.926 15.574 ( 0.000 1.238 0.000) 1.238 15.599 ( 0.000 -1.298 0.000) 1.298 15.623 ( 0.000 -2.150 0.000) 2.150 15.804 ( 0.000 -0.034 0.000) 0.034 15.806 ( 0.000 0.015 0.000) 0.015 15.897 ( 0.000 0.891 0.000) 0.891 15.914 ( 0.000 -0.881 0.000) 0.881 16.019 ( 0.000 1.329 0.000) 1.329 16.085 ( 0.000 -4.335 0.000) 4.335 16.193 ( 0.000 5.743 0.000) 5.743 16.311 ( 0.000 -6.195 0.000) 6.195 16.592 ( 0.000 0.902 0.000) 0.902 16.600 ( 0.000 0.008 0.000) 0.008 17.101 ( 0.000 2.254 0.000) 2.254 17.142 ( 0.000 -1.928 0.000) 1.928 17.592 ( 0.000 5.291 0.000) 5.291 17.699 ( 0.000 -5.313 0.000) 5.313 17.990 ( 0.000 5.710 0.000) 5.710 18.005 ( 0.000 0.656 0.000) 0.656 18.017 ( 0.000 -0.570 0.000) 0.570 18.110 ( 0.000 -6.158 0.000) 6.158 19.863 ( 0.000 0.583 0.000) 0.583 19.875 ( 0.000 -0.605 0.000) 0.605 19.925 ( 0.000 0.027 0.000) 0.027 19.929 ( 0.000 -0.331 0.000) 0.331 21.125 ( 0.000 2.549 0.000) 2.549 21.158 ( 0.000 -1.120 0.000) 1.120 21.250 ( 0.000 4.908 0.000) 4.908 21.365 ( 0.000 -6.233 0.000) 6.233 22.499 ( 0.000 0.594 0.000) 0.594 22.506 ( 0.000 0.144 0.000) 0.144 22.550 ( 0.000 1.765 0.000) 1.765 22.596 ( 0.000 -2.534 0.000) 2.534 23.566 ( 0.000 0.789 0.000) 0.789 23.585 ( 0.000 -1.103 0.000) 1.103 23.678 ( 0.000 0.754 0.000) 0.754 23.690 ( 0.000 -0.392 0.000) 0.392 26.302 ( 0.000 0.535 0.000) 0.535 26.312 ( 0.000 -0.538 0.000) 0.538 26.880 ( 0.000 2.352 0.000) 2.352 26.930 ( 0.000 -2.595 0.000) 2.595 28.237 ( 0.000 2.025 0.000) 2.025 28.279 ( 0.000 -2.128 0.000) 2.128 28.383 ( 0.000 1.963 0.000) 1.963 28.422 ( 0.000 -1.903 0.000) 1.903 31.336 ( 0.000 0.168 0.000) 0.168 31.336 ( 0.000 1.656 0.000) 1.656 31.339 ( 0.000 -0.167 0.000) 0.167 31.368 ( 0.000 -1.575 0.000) 1.575 34.235 ( 0.000 4.491 0.000) 4.491 34.249 ( 0.000 2.559 0.000) 2.559 34.301 ( 0.000 -2.628 0.000) 2.628 34.318 ( 0.000 -3.663 0.000) 3.663 34.816 ( 0.000 4.835 0.000) 4.835 34.947 ( 0.000 -8.503 0.000) 8.503 35.165 ( 0.000 4.409 0.000) 4.409 35.215 ( 0.000 2.922 0.000) 2.922 35.241 ( 0.000 -2.465 0.000) 2.465 35.266 ( 0.000 -2.165 0.000) 2.165 35.303 ( 0.000 0.381 0.000) 0.381 35.329 ( 0.000 -2.814 0.000) 2.814 36.767 ( 0.000 15.195 0.000) 15.195 37.041 ( 0.000 -12.315 0.000) 12.315 37.825 ( 0.000 0.125 0.000) 0.125 37.826 ( 0.000 -0.017 0.000) 0.017 47.737 ( 0.000 2.281 0.000) 2.281 47.746 ( 0.000 2.674 0.000) 2.674 47.788 ( 0.000 -2.809 0.000) 2.809 47.811 ( 0.000 -3.908 0.000) 3.908 48.195 ( 0.000 3.275 0.000) 3.275 48.253 ( 0.000 -2.611 0.000) 2.611 48.475 ( 0.000 5.622 0.000) 5.622 48.574 ( 0.000 -4.420 0.000) 4.420 97.885 ( 0.000 0.500 0.000) 0.500 97.888 ( 0.000 0.249 0.000) 0.249 98.681 ( 0.000 9.701 0.000) 9.701 98.885 ( 0.000 -10.957 0.000) 10.957 99.561 ( 0.000 4.891 0.000) 4.891 99.671 ( 0.000 -6.005 0.000) 6.005 99.732 ( 0.000 7.037 0.000) 7.037 99.853 ( 0.000 -5.221 0.000) 5.221 104.734 ( 0.000 1.146 0.000) 1.146 104.759 ( 0.000 -1.386 0.000) 1.386 104.971 ( 0.000 2.033 0.000) 2.033 105.014 ( 0.000 -2.270 0.000) 2.270 105.048 ( 0.000 3.470 0.000) 3.470 105.119 ( 0.000 -3.550 0.000) 3.550 105.217 ( 0.000 3.144 0.000) 3.144 105.278 ( 0.000 -2.974 0.000) 2.974 ======================= Grid point 19 (12/45) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.306 ( 11.132 27.218 0.000) 29.407 1.349 ( 23.289 19.525 0.000) 30.391 1.715 ( 18.025 -12.611 0.000) 21.999 1.830 ( 5.902 -25.297 0.000) 25.976 1.837 ( 16.215 19.521 0.000) 25.377 2.203 ( 11.054 -12.309 0.000) 16.544 2.509 ( -2.190 10.236 0.000) 10.468 2.641 ( 5.065 7.736 0.000) 9.247 2.649 ( 4.100 -2.748 0.000) 4.936 2.684 ( 11.967 1.879 0.000) 12.114 2.716 ( 5.584 -0.234 0.000) 5.589 2.771 ( 8.383 -5.172 0.000) 9.850 3.011 ( 9.100 6.243 0.000) 11.036 3.084 ( 11.051 -0.973 0.000) 11.094 3.134 ( 1.095 7.880 0.000) 7.956 3.296 ( 2.136 -6.017 0.000) 6.385 3.375 ( 2.935 4.152 0.000) 5.085 3.454 ( 9.070 -1.649 0.000) 9.219 3.562 ( 0.767 2.580 0.000) 2.691 3.594 ( -1.191 6.458 0.000) 6.567 3.669 ( 2.873 -1.594 0.000) 3.285 3.774 ( -2.850 -11.355 0.000) 11.707 3.827 ( 11.238 -1.905 0.000) 11.398 3.929 ( 9.800 -9.985 0.000) 13.991 4.000 ( 0.842 12.134 0.000) 12.164 4.095 ( 2.890 4.403 0.000) 5.267 4.123 ( 1.191 6.753 0.000) 6.857 4.238 ( 4.271 -8.467 0.000) 9.483 4.386 ( -2.556 -3.849 0.000) 4.621 4.558 ( -2.991 -14.390 0.000) 14.698 4.592 ( 1.876 2.014 0.000) 2.752 4.640 ( 1.548 -2.248 0.000) 2.729 5.250 ( -5.682 1.182 0.000) 5.804 5.308 ( -4.871 -4.147 0.000) 6.398 5.393 ( 4.776 3.525 0.000) 5.936 5.458 ( 2.438 -2.171 0.000) 3.264 5.585 ( -2.449 6.576 0.000) 7.017 5.701 ( -2.118 -4.404 0.000) 4.887 5.731 ( -8.637 3.387 0.000) 9.277 5.803 ( -8.513 -3.494 0.000) 9.202 5.970 ( -3.963 9.686 0.000) 10.466 6.034 ( -3.946 4.330 0.000) 5.859 6.163 ( -4.605 -0.063 0.000) 4.606 6.167 ( -1.774 -8.829 0.000) 9.005 6.175 ( -3.511 -3.989 0.000) 5.314 6.279 ( -8.332 -6.406 0.000) 10.510 6.505 ( -4.455 6.229 0.000) 7.658 6.618 ( -5.812 -4.819 0.000) 7.550 6.622 ( -6.777 1.476 0.000) 6.935 6.651 ( -5.691 -1.249 0.000) 5.826 6.853 ( -3.624 3.229 0.000) 4.854 6.900 ( -3.684 -1.083 0.000) 3.840 6.902 ( -6.832 3.353 0.000) 7.610 6.951 ( -5.167 -0.974 0.000) 5.258 7.126 ( 0.857 4.147 0.000) 4.234 7.236 ( -1.739 -6.125 0.000) 6.367 7.338 ( -5.391 4.408 0.000) 6.964 7.395 ( 1.927 3.115 0.000) 3.662 7.415 ( -6.685 -1.367 0.000) 6.823 7.416 ( 1.597 0.613 0.000) 1.710 7.447 ( 0.432 1.250 0.000) 1.322 7.513 ( -1.205 -5.114 0.000) 5.254 7.772 ( -1.620 5.287 0.000) 5.529 7.891 ( -4.908 -6.006 0.000) 7.756 8.221 ( 1.751 8.960 0.000) 9.130 8.295 ( 3.108 5.258 0.000) 6.107 8.369 ( 2.373 -2.137 0.000) 3.194 8.386 ( -2.915 -5.861 0.000) 6.546 8.587 ( -0.407 1.445 0.000) 1.501 8.613 ( 0.476 4.034 0.000) 4.062 8.624 ( 1.901 -2.348 0.000) 3.021 8.692 ( -2.581 -2.872 0.000) 3.862 9.335 ( -1.273 1.648 0.000) 2.082 9.392 ( -2.522 -4.354 0.000) 5.032 9.450 ( -6.082 5.927 0.000) 8.492 9.561 ( -5.652 -4.752 0.000) 7.384 9.655 ( -1.397 3.199 0.000) 3.491 9.664 ( -3.451 0.937 0.000) 3.576 9.691 ( -2.723 -1.494 0.000) 3.106 9.702 ( -0.699 -1.708 0.000) 1.846 9.996 ( 0.252 5.297 0.000) 5.303 10.081 ( 1.707 -2.659 0.000) 3.160 10.175 ( -0.444 2.472 0.000) 2.512 10.227 ( -0.305 -2.643 0.000) 2.660 10.316 ( -5.499 2.191 0.000) 5.920 10.368 ( -5.410 -2.569 0.000) 5.989 10.515 ( 15.035 5.602 0.000) 16.045 10.682 ( 20.669 -12.410 0.000) 24.109 11.338 ( 1.280 7.673 0.000) 7.779 11.490 ( 2.687 -7.460 0.000) 7.929 11.568 ( -8.513 4.432 0.000) 9.598 11.656 ( -2.907 -4.375 0.000) 5.252 11.705 ( 4.211 0.381 0.000) 4.228 11.720 ( 4.632 -1.096 0.000) 4.760 12.230 ( -6.455 5.153 0.000) 8.259 12.332 ( -4.783 -5.440 0.000) 7.244 14.304 ( 6.468 2.515 0.000) 6.940 14.330 ( 4.793 0.529 0.000) 4.822 14.342 ( 4.961 -0.629 0.000) 5.000 14.368 ( 7.344 -4.090 0.000) 8.406 15.337 ( 0.809 0.140 0.000) 0.821 15.343 ( 0.789 -0.182 0.000) 0.810 15.510 ( -1.226 7.134 0.000) 7.239 15.524 ( -4.612 1.448 0.000) 4.834 15.546 ( -4.968 -0.869 0.000) 5.043 15.619 ( -0.296 -2.890 0.000) 2.905 15.776 ( -8.787 6.331 0.000) 10.830 15.812 ( 1.714 0.770 0.000) 1.879 15.835 ( 2.285 -1.210 0.000) 2.586 15.858 ( -3.381 -2.430 0.000) 4.164 16.036 ( 1.722 2.109 0.000) 2.723 16.109 ( 2.273 -4.346 0.000) 4.905 16.216 ( -0.205 3.800 0.000) 3.806 16.272 ( -1.540 -2.343 0.000) 2.804 16.506 ( -4.991 3.556 0.000) 6.128 16.593 ( -1.793 -5.978 0.000) 6.241 17.154 ( 3.995 -0.039 0.000) 3.995 17.161 ( 2.584 -0.646 0.000) 2.663 17.590 ( -0.286 5.226 0.000) 5.234 17.693 ( -0.546 -5.062 0.000) 5.092 17.964 ( -2.484 5.684 0.000) 6.203 17.964 ( 0.541 11.035 0.000) 11.048 18.084 ( -2.442 -6.240 0.000) 6.701 18.183 ( 5.259 -12.137 0.000) 13.228 19.858 ( -0.259 0.425 0.000) 0.498 19.869 ( -0.248 -0.670 0.000) 0.715 19.921 ( -0.397 0.120 0.000) 0.414 19.926 ( -0.275 -0.396 0.000) 0.482 21.160 ( 3.302 1.326 0.000) 3.558 21.180 ( 2.343 -0.818 0.000) 2.482 21.328 ( 7.444 6.442 0.000) 9.844 21.463 ( 8.857 -6.863 0.000) 11.205 22.314 ( -10.173 1.661 0.000) 10.308 22.352 ( -9.029 -2.210 0.000) 9.296 22.634 ( 1.459 4.441 0.000) 4.675 22.728 ( 4.001 -5.122 0.000) 6.499 23.706 ( 13.125 0.869 0.000) 13.154 23.719 ( 13.325 -0.365 0.000) 13.330 23.918 ( 22.073 3.017 0.000) 22.278 24.012 ( 25.584 -7.347 0.000) 26.619 26.220 ( -7.763 0.630 0.000) 7.788 26.233 ( -7.584 -0.638 0.000) 7.611 26.793 ( -8.168 2.182 0.000) 8.454 26.839 ( -8.465 -2.365 0.000) 8.790 28.284 ( 4.255 2.622 0.000) 4.997 28.340 ( 5.394 -2.908 0.000) 6.128 28.436 ( 4.625 3.820 0.000) 5.999 28.545 ( 9.624 -8.174 0.000) 12.627 31.328 ( -0.635 0.191 0.000) 0.663 31.331 ( -0.487 1.655 0.000) 1.726 31.333 ( -0.559 -0.233 0.000) 0.605 31.363 ( -0.492 -1.599 0.000) 1.673 34.197 ( -3.252 3.800 0.000) 5.001 34.222 ( -2.448 2.457 0.000) 3.468 34.266 ( -4.312 -2.986 0.000) 5.245 34.272 ( -2.680 -2.477 0.000) 3.649 34.869 ( 4.482 4.157 0.000) 6.113 34.987 ( 3.552 -7.830 0.000) 8.598 35.176 ( 0.991 5.247 0.000) 5.340 35.241 ( 2.830 4.753 0.000) 5.532 35.249 ( 1.225 0.735 0.000) 1.428 35.326 ( 5.207 -3.670 0.000) 6.371 35.345 ( 3.084 -0.882 0.000) 3.208 35.366 ( 3.347 -6.337 0.000) 7.167 36.739 ( -2.518 14.527 0.000) 14.743 37.003 ( -3.493 -11.933 0.000) 12.434 37.570 ( -20.320 9.445 0.000) 22.407 37.685 ( -12.445 -3.537 0.000) 12.938 47.732 ( -0.388 1.554 0.000) 1.602 47.746 ( -0.056 2.569 0.000) 2.570 47.755 ( -2.387 -0.305 0.000) 2.406 47.808 ( -0.321 -3.718 0.000) 3.732 48.187 ( -0.150 3.140 0.000) 3.144 48.245 ( -0.649 -2.627 0.000) 2.706 48.457 ( -1.641 5.416 0.000) 5.659 48.553 ( -1.961 -4.290 0.000) 4.716 97.897 ( 1.115 0.423 0.000) 1.192 97.898 ( 1.027 0.315 0.000) 1.075 98.607 ( -6.619 7.383 0.000) 9.916 98.727 ( -12.859 -3.412 0.000) 13.304 99.556 ( -0.470 4.725 0.000) 4.748 99.658 ( -4.588 8.685 0.000) 9.822 99.661 ( -0.819 -5.760 0.000) 5.818 99.814 ( -3.438 -7.095 0.000) 7.884 104.740 ( 0.571 1.195 0.000) 1.325 104.766 ( 0.635 -1.402 0.000) 1.539 104.959 ( -1.109 2.001 0.000) 2.288 104.999 ( -1.345 -1.875 0.000) 2.308 105.052 ( 0.321 3.270 0.000) 3.285 105.118 ( -0.043 -3.332 0.000) 3.332 105.191 ( -1.493 4.712 0.000) 4.943 105.285 ( -0.248 -4.970 0.000) 4.976 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 16.489 19.413 0.000) 25.470 1.724 ( 14.047 19.611 0.000) 24.122 2.008 ( 10.658 -20.119 0.000) 22.768 2.029 ( 11.015 -12.194 0.000) 16.433 2.362 ( 27.830 10.934 0.000) 29.901 2.459 ( -1.767 13.079 0.000) 13.198 2.546 ( 18.077 -6.882 0.000) 19.343 2.659 ( -0.273 -7.005 0.000) 7.011 2.771 ( 6.614 7.899 0.000) 10.302 2.859 ( 6.857 -0.787 0.000) 6.902 2.988 ( 10.237 1.885 0.000) 10.409 3.030 ( 13.545 -2.330 0.000) 13.744 3.172 ( 4.316 4.304 0.000) 6.095 3.229 ( 11.549 8.052 0.000) 14.079 3.318 ( 1.491 -8.750 0.000) 8.877 3.355 ( 13.829 -3.152 0.000) 14.184 3.482 ( 6.195 8.879 0.000) 10.827 3.559 ( 0.090 0.892 0.000) 0.896 3.614 ( 4.142 3.284 0.000) 5.286 3.685 ( 10.407 -5.036 0.000) 11.562 3.727 ( -0.547 -8.330 0.000) 8.348 3.745 ( 5.068 -6.277 0.000) 8.068 3.992 ( -2.129 11.607 0.000) 11.800 4.153 ( 18.813 0.639 0.000) 18.824 4.155 ( 1.756 2.674 0.000) 3.199 4.189 ( 10.497 0.515 0.000) 10.510 4.226 ( 13.596 1.003 0.000) 13.633 4.312 ( -4.184 -3.021 0.000) 5.160 4.349 ( 5.322 -4.678 0.000) 7.086 4.432 ( -9.339 -9.437 0.000) 13.277 4.669 ( 5.886 0.061 0.000) 5.886 4.709 ( 5.616 -2.356 0.000) 6.090 5.118 ( -5.931 2.650 0.000) 6.496 5.223 ( -2.187 -7.156 0.000) 7.482 5.484 ( -5.570 1.787 0.000) 5.849 5.505 ( -5.415 5.967 0.000) 8.058 5.515 ( 5.169 -0.354 0.000) 5.181 5.520 ( -6.248 4.813 0.000) 7.887 5.616 ( -6.206 -4.679 0.000) 7.772 5.626 ( -5.078 -5.180 0.000) 7.254 5.844 ( -7.936 7.753 0.000) 11.095 5.965 ( -0.794 7.105 0.000) 7.149 6.002 ( -11.110 -6.155 0.000) 12.701 6.043 ( -13.734 -0.222 0.000) 13.736 6.069 ( -7.185 -3.041 0.000) 7.802 6.140 ( -0.913 -9.129 0.000) 9.175 6.408 ( -4.352 2.531 0.000) 5.035 6.438 ( -9.951 3.519 0.000) 10.555 6.493 ( -4.952 -5.698 0.000) 7.549 6.503 ( -7.785 -2.754 0.000) 8.258 6.765 ( -4.378 3.158 0.000) 5.398 6.767 ( -4.743 4.799 0.000) 6.747 6.804 ( -5.070 -0.303 0.000) 5.079 6.818 ( -5.299 0.219 0.000) 5.304 7.170 ( 2.310 0.472 0.000) 2.357 7.178 ( -10.562 2.051 0.000) 10.759 7.221 ( -0.035 -4.095 0.000) 4.095 7.223 ( -9.351 -1.376 0.000) 9.452 7.404 ( -5.365 1.038 0.000) 5.465 7.474 ( 5.314 3.309 0.000) 6.260 7.482 ( -4.016 -6.005 0.000) 7.224 7.509 ( 6.308 -0.807 0.000) 6.359 7.729 ( -0.677 5.046 0.000) 5.091 7.822 ( -1.223 -3.670 0.000) 3.868 8.266 ( 2.477 6.666 0.000) 7.111 8.348 ( -1.173 -1.194 0.000) 1.674 8.353 ( 1.542 5.002 0.000) 5.234 8.399 ( 0.596 0.340 0.000) 0.686 8.570 ( -1.359 4.279 0.000) 4.490 8.599 ( -1.750 3.214 0.000) 3.660 8.660 ( -0.870 -3.032 0.000) 3.154 8.669 ( 1.876 -4.504 0.000) 4.879 9.304 ( -1.541 -0.610 0.000) 1.657 9.324 ( -3.471 -2.932 0.000) 4.544 9.343 ( -4.429 3.359 0.000) 5.559 9.431 ( -6.121 -4.620 0.000) 7.669 9.588 ( -2.908 1.500 0.000) 3.272 9.631 ( -0.896 3.536 0.000) 3.648 9.637 ( -2.198 -3.157 0.000) 3.847 9.693 ( -0.578 -2.754 0.000) 2.814 10.020 ( 1.990 5.365 0.000) 5.722 10.109 ( 1.031 -3.673 0.000) 3.815 10.166 ( -0.341 2.253 0.000) 2.278 10.209 ( -1.190 -2.010 0.000) 2.336 10.216 ( -2.821 2.446 0.000) 3.734 10.257 ( -4.283 -1.616 0.000) 4.578 10.742 ( 3.195 5.264 0.000) 6.158 10.884 ( -2.405 -9.045 0.000) 9.359 11.364 ( 1.101 9.018 0.000) 9.085 11.416 ( -3.306 10.094 0.000) 10.622 11.541 ( 1.997 -8.599 0.000) 8.828 11.622 ( -0.383 -10.540 0.000) 10.547 11.803 ( 4.981 1.439 0.000) 5.185 11.843 ( 6.231 -2.859 0.000) 6.855 12.081 ( -6.644 6.082 0.000) 9.007 12.206 ( -6.263 -6.861 0.000) 9.290 14.452 ( 6.285 0.774 0.000) 6.333 14.458 ( 7.354 2.756 0.000) 7.854 14.470 ( 6.723 -0.979 0.000) 6.793 14.527 ( 7.063 -4.338 0.000) 8.289 15.343 ( -0.677 0.422 0.000) 0.797 15.347 ( -0.666 0.042 0.000) 0.667 15.406 ( -5.650 2.377 0.000) 6.129 15.427 ( -5.652 -0.230 0.000) 5.656 15.481 ( -1.201 8.126 0.000) 8.214 15.617 ( 0.344 -4.636 0.000) 4.649 15.632 ( -5.218 8.469 0.000) 9.948 15.784 ( -3.252 -6.446 0.000) 7.220 15.882 ( 4.698 0.188 0.000) 4.702 15.903 ( 4.139 -1.711 0.000) 4.478 16.096 ( 4.151 3.612 0.000) 5.502 16.176 ( 4.082 -3.978 0.000) 5.700 16.180 ( -2.595 5.048 0.000) 5.676 16.248 ( -1.767 -1.631 0.000) 2.405 16.431 ( -2.059 3.816 0.000) 4.336 16.544 ( -2.720 -7.436 0.000) 7.918 17.228 ( 4.634 1.740 0.000) 4.950 17.273 ( 6.376 -2.820 0.000) 6.972 17.579 ( -0.805 5.080 0.000) 5.143 17.676 ( -1.164 -4.468 0.000) 4.617 17.893 ( -4.041 5.416 0.000) 6.757 17.945 ( -2.994 11.760 0.000) 12.135 18.012 ( -4.237 -6.297 0.000) 7.590 18.171 ( -5.320 -11.277 0.000) 12.469 19.858 ( 0.326 0.441 0.000) 0.549 19.872 ( 0.394 -0.949 0.000) 1.027 19.909 ( -0.651 0.271 0.000) 0.705 19.917 ( -0.561 -0.489 0.000) 0.744 21.261 ( 5.704 0.054 0.000) 5.704 21.265 ( 6.634 -0.364 0.000) 6.644 21.548 ( 13.127 8.224 0.000) 15.490 21.709 ( 14.113 -7.858 0.000) 16.153 22.092 ( -11.120 2.685 0.000) 11.440 22.154 ( -10.197 -3.615 0.000) 10.819 22.589 ( -5.401 6.779 0.000) 8.667 22.724 ( -3.877 -6.763 0.000) 7.795 24.081 ( 21.989 1.255 0.000) 22.024 24.100 ( 22.299 -0.674 0.000) 22.309 24.495 ( 31.002 3.381 0.000) 31.186 24.599 ( 28.871 -7.446 0.000) 29.816 25.982 ( -15.018 0.875 0.000) 15.043 25.999 ( -14.751 -0.878 0.000) 14.777 26.551 ( -14.840 1.941 0.000) 14.967 26.591 ( -15.062 -2.062 0.000) 15.203 28.398 ( 6.178 3.779 0.000) 7.242 28.481 ( 7.609 -4.491 0.000) 8.835 28.544 ( 4.911 6.536 0.000) 8.175 28.728 ( 6.563 -12.865 0.000) 14.442 31.313 ( -0.733 0.198 0.000) 0.759 31.317 ( -0.733 1.523 0.000) 1.690 31.318 ( -0.776 -0.322 0.000) 0.840 31.348 ( -0.953 -1.530 0.000) 1.802 34.121 ( -3.567 2.601 0.000) 4.414 34.157 ( -3.513 2.148 0.000) 4.118 34.168 ( -4.540 -2.032 0.000) 4.974 34.200 ( -3.978 -2.078 0.000) 4.488 34.976 ( 5.359 3.528 0.000) 6.416 35.079 ( 4.940 -6.839 0.000) 8.436 35.198 ( 0.725 6.247 0.000) 6.289 35.291 ( 2.403 1.281 0.000) 2.723 35.330 ( 5.251 7.338 0.000) 9.023 35.407 ( 2.491 -2.854 0.000) 3.788 35.455 ( 5.116 -6.304 0.000) 8.119 35.459 ( 6.911 -5.485 0.000) 8.823 36.675 ( -3.138 12.581 0.000) 12.966 36.909 ( -4.984 -10.797 0.000) 11.892 37.142 ( -18.606 15.808 0.000) 24.414 37.374 ( -16.017 -8.509 0.000) 18.137 47.717 ( -0.954 1.635 0.000) 1.893 47.728 ( 0.063 0.251 0.000) 0.259 47.743 ( -0.217 2.300 0.000) 2.310 47.798 ( -0.667 -3.197 0.000) 3.266 48.203 ( 1.664 1.580 0.000) 2.295 48.237 ( 0.099 -1.740 0.000) 1.743 48.410 ( -2.740 4.774 0.000) 5.505 48.496 ( -3.428 -3.866 0.000) 5.167 97.931 ( 2.247 0.620 0.000) 2.331 97.935 ( 2.533 0.151 0.000) 2.537 98.436 ( -9.108 3.515 0.000) 9.763 98.456 ( -11.744 2.482 0.000) 12.004 99.544 ( -0.561 4.428 0.000) 4.463 99.587 ( -2.291 6.931 0.000) 7.300 99.642 ( -0.844 -5.316 0.000) 5.383 99.736 ( -3.562 -7.610 0.000) 8.402 104.758 ( 1.170 1.326 0.000) 1.768 104.786 ( 1.271 -1.437 0.000) 1.918 104.926 ( -1.993 1.950 0.000) 2.788 104.962 ( -2.128 -1.471 0.000) 2.587 105.063 ( 0.747 2.836 0.000) 2.933 105.120 ( 0.347 -2.885 0.000) 2.906 105.164 ( -1.232 4.484 0.000) 4.650 105.259 ( -1.998 -5.053 0.000) 5.434 ======================= Grid point 21 (14/45) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.940 ( 14.045 13.574 0.000) 19.533 1.982 ( 10.413 16.287 0.000) 19.331 2.217 ( 7.317 -8.214 0.000) 11.000 2.239 ( 10.107 -15.633 0.000) 18.615 2.441 ( 0.524 14.168 0.000) 14.178 2.650 ( -0.489 -7.194 0.000) 7.211 2.695 ( 0.203 2.549 0.000) 2.557 2.734 ( -0.494 -1.196 0.000) 1.294 2.903 ( 7.066 9.286 0.000) 11.668 3.046 ( 11.853 -3.067 0.000) 12.244 3.070 ( -0.224 7.339 0.000) 7.343 3.224 ( 3.937 -8.012 0.000) 8.927 3.335 ( 8.276 0.410 0.000) 8.286 3.431 ( 10.032 -6.392 0.000) 11.896 3.435 ( 6.251 8.195 0.000) 10.307 3.571 ( 3.404 3.687 0.000) 5.019 3.605 ( 8.723 -7.329 0.000) 11.393 3.656 ( 7.989 -1.173 0.000) 8.074 3.744 ( 5.858 2.829 0.000) 6.506 3.779 ( 3.790 -1.368 0.000) 4.029 3.801 ( 4.307 -0.804 0.000) 4.382 3.898 ( -5.641 9.953 0.000) 11.441 3.919 ( 7.977 -6.409 0.000) 10.232 4.154 ( -9.189 -12.909 0.000) 15.846 4.210 ( -0.312 4.080 0.000) 4.092 4.282 ( -0.074 -2.776 0.000) 2.777 4.306 ( 1.410 6.980 0.000) 7.121 4.389 ( -0.028 -0.806 0.000) 0.807 4.601 ( 21.474 0.371 0.000) 21.477 4.635 ( 22.184 -2.814 0.000) 22.362 4.862 ( 12.702 -0.976 0.000) 12.740 4.885 ( 11.583 -2.075 0.000) 11.767 5.041 ( -1.429 6.830 0.000) 6.978 5.207 ( -0.931 -8.350 0.000) 8.402 5.301 ( -6.919 4.883 0.000) 8.468 5.356 ( -8.934 3.469 0.000) 9.584 5.412 ( -4.644 -3.852 0.000) 6.034 5.444 ( -9.461 -3.968 0.000) 10.260 5.565 ( 0.354 2.830 0.000) 2.852 5.628 ( -15.232 1.996 0.000) 15.362 5.649 ( 3.563 -3.586 0.000) 5.055 5.685 ( -18.037 -3.600 0.000) 18.392 5.752 ( -12.224 5.379 0.000) 13.355 5.889 ( -8.804 -6.983 0.000) 11.237 6.056 ( 8.066 4.244 0.000) 9.114 6.133 ( 0.924 -3.639 0.000) 3.754 6.257 ( -6.811 5.323 0.000) 8.644 6.345 ( 0.152 3.963 0.000) 3.966 6.348 ( -6.806 -3.859 0.000) 7.824 6.476 ( 3.675 -9.310 0.000) 10.009 6.671 ( -5.191 3.624 0.000) 6.331 6.705 ( -4.360 -0.146 0.000) 4.362 6.710 ( -0.967 4.302 0.000) 4.410 6.766 ( 0.258 -1.412 0.000) 1.435 6.918 ( -13.047 4.231 0.000) 13.716 7.027 ( -10.208 -6.416 0.000) 12.057 7.205 ( 0.947 -1.504 0.000) 1.778 7.217 ( -0.215 -2.316 0.000) 2.326 7.267 ( -5.711 1.761 0.000) 5.976 7.355 ( -6.527 -6.987 0.000) 9.561 7.600 ( 6.327 4.230 0.000) 7.611 7.652 ( 6.885 -0.777 0.000) 6.928 7.747 ( 0.725 5.361 0.000) 5.410 7.814 ( -0.476 -0.825 0.000) 0.953 8.313 ( 0.395 3.671 0.000) 3.692 8.334 ( 1.339 0.546 0.000) 1.446 8.342 ( -1.872 3.050 0.000) 3.578 8.401 ( -0.765 -2.102 0.000) 2.237 8.538 ( -1.308 9.631 0.000) 9.720 8.551 ( -2.407 5.197 0.000) 5.727 8.649 ( -0.063 -3.400 0.000) 3.401 8.684 ( -0.532 -4.036 0.000) 4.071 9.264 ( -2.075 -2.184 0.000) 3.012 9.269 ( -2.513 0.835 0.000) 2.648 9.281 ( -0.514 -3.849 0.000) 3.883 9.329 ( -3.416 -4.552 0.000) 5.691 9.558 ( -0.079 2.101 0.000) 2.102 9.608 ( -0.462 -2.843 0.000) 2.881 9.609 ( -1.339 3.004 0.000) 3.289 9.665 ( -2.100 -2.525 0.000) 3.284 10.084 ( 4.505 4.995 0.000) 6.726 10.164 ( 0.025 1.919 0.000) 1.919 10.168 ( 5.102 -3.501 0.000) 6.188 10.187 ( -0.611 -0.209 0.000) 0.646 10.201 ( 1.097 1.026 0.000) 1.502 10.214 ( 0.848 -0.195 0.000) 0.870 10.626 ( -12.218 1.245 0.000) 12.281 10.678 ( -13.938 -3.857 0.000) 14.462 11.384 ( 0.900 9.886 0.000) 9.927 11.412 ( 0.313 10.981 0.000) 10.985 11.575 ( 1.419 -8.947 0.000) 9.059 11.616 ( -0.278 -8.985 0.000) 8.990 11.893 ( 3.402 2.457 0.000) 4.196 11.961 ( 4.935 -4.709 0.000) 6.821 11.985 ( -2.813 4.948 0.000) 5.691 12.105 ( -3.255 -7.713 0.000) 8.371 14.569 ( 4.493 1.300 0.000) 4.677 14.583 ( 4.249 2.405 0.000) 4.883 14.600 ( 5.238 -1.717 0.000) 5.512 14.642 ( 3.670 -3.560 0.000) 5.113 15.312 ( -1.784 0.652 0.000) 1.900 15.314 ( -3.021 1.872 0.000) 3.554 15.314 ( -2.079 0.093 0.000) 2.081 15.330 ( -3.387 -0.062 0.000) 3.388 15.472 ( 0.395 9.190 0.000) 9.199 15.545 ( -3.231 9.353 0.000) 9.895 15.637 ( 1.510 -6.527 0.000) 6.699 15.725 ( -2.525 -8.133 0.000) 8.516 15.976 ( 3.847 0.255 0.000) 3.856 16.005 ( 5.334 -1.885 0.000) 5.657 16.116 ( -3.286 4.518 0.000) 5.586 16.192 ( -3.482 -2.474 0.000) 4.271 16.210 ( 6.540 3.544 0.000) 7.439 16.275 ( 5.164 -2.647 0.000) 5.803 16.400 ( -1.586 2.921 0.000) 3.324 16.478 ( -3.851 -4.503 0.000) 5.925 17.344 ( 6.223 3.269 0.000) 7.030 17.416 ( 7.086 -3.850 0.000) 8.065 17.551 ( -2.204 4.854 0.000) 5.331 17.640 ( -2.593 -3.700 0.000) 4.518 17.812 ( -3.181 4.827 0.000) 5.781 17.857 ( -4.644 8.833 0.000) 9.979 17.926 ( -3.261 -6.219 0.000) 7.022 18.027 ( -7.190 -8.261 0.000) 10.952 19.869 ( 0.631 0.366 0.000) 0.729 19.880 ( 0.379 -0.758 0.000) 0.847 19.895 ( -0.669 0.321 0.000) 0.742 19.903 ( -0.702 -0.509 0.000) 0.867 21.410 ( 8.687 1.334 0.000) 8.789 21.442 ( 10.123 -1.969 0.000) 10.313 21.850 ( 15.282 9.075 0.000) 17.773 21.854 ( -11.628 3.156 0.000) 12.049 21.925 ( -11.723 -4.010 0.000) 12.390 22.024 ( 15.589 -8.390 0.000) 17.703 22.421 ( -10.538 8.304 0.000) 13.417 22.581 ( -9.598 -7.722 0.000) 12.319 24.585 ( 25.635 1.426 0.000) 25.675 24.610 ( 25.795 -1.021 0.000) 25.815 25.141 ( 30.045 1.406 0.000) 30.078 25.185 ( 27.235 -3.092 0.000) 27.410 25.603 ( -21.072 1.168 0.000) 21.105 25.626 ( -20.856 -1.113 0.000) 20.886 26.185 ( -20.168 1.567 0.000) 20.229 26.218 ( -20.694 -1.764 0.000) 20.769 28.522 ( 5.385 5.058 0.000) 7.388 28.616 ( 1.640 7.243 0.000) 7.426 28.637 ( 7.017 -6.393 0.000) 9.492 28.800 ( 0.476 -11.528 0.000) 11.538 31.301 ( -0.397 0.075 0.000) 0.404 31.303 ( -0.564 1.111 0.000) 1.246 31.305 ( -0.336 -0.229 0.000) 0.406 31.326 ( -1.059 -1.187 0.000) 1.591 34.064 ( -1.707 1.619 0.000) 2.353 34.090 ( -2.685 1.608 0.000) 3.130 34.093 ( -2.388 -1.276 0.000) 2.708 34.120 ( -3.290 -1.460 0.000) 3.600 35.080 ( 4.465 3.809 0.000) 5.869 35.183 ( 4.889 -6.399 0.000) 8.053 35.197 ( -0.943 5.961 0.000) 6.035 35.319 ( -0.403 -3.757 0.000) 3.778 35.436 ( 4.327 8.562 0.000) 9.593 35.455 ( 2.326 2.835 0.000) 3.667 35.564 ( 4.723 -5.762 0.000) 7.451 35.585 ( 4.523 -5.971 0.000) 7.491 36.631 ( -0.600 10.034 0.000) 10.052 36.825 ( -2.132 -9.262 0.000) 9.505 36.828 ( -11.402 13.876 0.000) 17.959 37.063 ( -13.009 -9.981 0.000) 16.397 47.712 ( 0.335 1.762 0.000) 1.794 47.736 ( -0.476 1.978 0.000) 2.035 47.737 ( 0.787 -0.750 0.000) 1.088 47.780 ( -0.992 -2.455 0.000) 2.648 48.247 ( 1.895 0.478 0.000) 1.954 48.259 ( 2.590 -0.674 0.000) 2.677 48.349 ( -3.012 3.661 0.000) 4.740 48.416 ( -4.107 -3.092 0.000) 5.141 97.994 ( 3.880 1.091 0.000) 4.031 98.005 ( 4.210 -0.047 0.000) 4.211 98.242 ( -8.396 2.851 0.000) 8.867 98.260 ( -8.021 0.829 0.000) 8.063 99.535 ( -0.205 4.339 0.000) 4.343 99.553 ( -1.123 5.372 0.000) 5.488 99.632 ( -0.086 -5.189 0.000) 5.190 99.675 ( -2.275 -6.603 0.000) 6.983 104.789 ( 1.769 1.501 0.000) 2.320 104.819 ( 1.874 -1.463 0.000) 2.378 104.880 ( -2.378 1.851 0.000) 3.014 104.913 ( -2.450 -1.415 0.000) 2.829 105.083 ( 1.148 2.548 0.000) 2.795 105.135 ( 1.123 -2.653 0.000) 2.881 105.137 ( -1.338 3.469 0.000) 3.719 105.212 ( -2.352 -3.932 0.000) 4.582 ======================= Grid point 22 (15/45) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -0.301 13.045 0.000) 13.048 2.107 ( 0.301 13.045 0.000) 13.048 2.321 ( -2.048 -6.560 0.000) 6.872 2.321 ( 2.048 -6.560 0.000) 6.872 2.555 ( -9.374 4.355 0.000) 10.337 2.555 ( 9.374 4.355 0.000) 10.337 2.668 ( -3.061 -4.520 0.000) 5.459 2.668 ( 3.061 -4.520 0.000) 5.459 3.024 ( -3.991 9.480 0.000) 10.286 3.024 ( 3.991 9.480 0.000) 10.286 3.222 ( -3.912 -9.385 0.000) 10.167 3.222 ( 3.912 -9.385 0.000) 10.167 3.458 ( -3.715 7.996 0.000) 8.816 3.458 ( 3.715 7.996 0.000) 8.816 3.644 ( -6.612 -0.802 0.000) 6.660 3.644 ( 6.612 -0.802 0.000) 6.660 3.694 ( -6.247 -1.497 0.000) 6.424 3.694 ( 6.247 -1.497 0.000) 6.424 3.760 ( -4.848 -4.369 0.000) 6.526 3.760 ( 4.848 -4.369 0.000) 6.526 3.879 ( -0.547 3.031 0.000) 3.080 3.879 ( 0.547 3.031 0.000) 3.080 4.020 ( -2.162 -9.159 0.000) 9.411 4.020 ( 2.162 -9.159 0.000) 9.411 4.262 ( -3.728 5.665 0.000) 6.782 4.262 ( 3.728 5.665 0.000) 6.782 4.339 ( -3.753 -1.334 0.000) 3.983 4.339 ( 3.753 -1.334 0.000) 3.983 4.977 ( -9.969 4.009 0.000) 10.745 4.977 ( 9.969 4.009 0.000) 10.745 5.047 ( -15.116 -2.983 0.000) 15.407 5.047 ( 15.116 -2.983 0.000) 15.407 5.158 ( -10.115 3.803 0.000) 10.806 5.158 ( 10.115 3.803 0.000) 10.806 5.208 ( -19.923 0.270 0.000) 19.925 5.208 ( 19.923 0.270 0.000) 19.925 5.301 ( -13.582 -3.259 0.000) 13.967 5.301 ( 13.582 -3.259 0.000) 13.967 5.354 ( -0.254 -5.813 0.000) 5.818 5.354 ( 0.254 -5.813 0.000) 5.818 5.596 ( -3.790 6.532 0.000) 7.551 5.596 ( 3.790 6.532 0.000) 7.551 5.740 ( -5.448 -6.555 0.000) 8.523 5.740 ( 5.448 -6.555 0.000) 8.524 6.153 ( -3.428 3.514 0.000) 4.909 6.153 ( 3.428 3.514 0.000) 4.909 6.223 ( -5.393 -3.160 0.000) 6.250 6.223 ( 5.393 -3.160 0.000) 6.250 6.492 ( -11.781 5.199 0.000) 12.878 6.492 ( 11.781 5.199 0.000) 12.878 6.600 ( -6.401 -5.023 0.000) 8.136 6.600 ( 6.401 -5.023 0.000) 8.136 6.729 ( -3.637 5.473 0.000) 6.571 6.729 ( 3.637 5.473 0.000) 6.571 6.833 ( -6.680 -5.713 0.000) 8.790 6.833 ( 6.680 -5.713 0.000) 8.790 7.205 ( -0.596 -0.084 0.000) 0.602 7.205 ( 0.596 -0.084 0.000) 0.602 7.251 ( -3.237 -4.704 0.000) 5.710 7.251 ( 3.237 -4.704 0.000) 5.710 7.714 ( -3.989 4.963 0.000) 6.367 7.714 ( 3.989 4.963 0.000) 6.367 7.772 ( -4.030 -0.180 0.000) 4.034 7.772 ( 4.030 -0.180 0.000) 4.034 8.310 ( -0.652 3.121 0.000) 3.188 8.310 ( 0.652 3.121 0.000) 3.188 8.375 ( -1.545 -3.101 0.000) 3.465 8.375 ( 1.545 -3.101 0.000) 3.465 8.523 ( -0.075 9.876 0.000) 9.876 8.523 ( 0.075 9.876 0.000) 9.876 8.661 ( -1.138 -3.211 0.000) 3.406 8.661 ( 1.138 -3.211 0.000) 3.406 9.242 ( -0.054 -1.058 0.000) 1.059 9.242 ( 0.054 -1.058 0.000) 1.059 9.286 ( -1.009 -5.222 0.000) 5.318 9.286 ( 1.009 -5.222 0.000) 5.318 9.576 ( -1.563 2.303 0.000) 2.783 9.576 ( 1.563 2.303 0.000) 2.783 9.621 ( -1.631 -2.135 0.000) 2.687 9.621 ( 1.631 -2.135 0.000) 2.687 10.150 ( -1.378 3.669 0.000) 3.919 10.150 ( 1.378 3.669 0.000) 3.919 10.192 ( -0.661 -0.348 0.000) 0.747 10.192 ( 0.661 -0.348 0.000) 0.747 10.344 ( -12.516 0.861 0.000) 12.546 10.344 ( 12.516 0.861 0.000) 12.546 10.387 ( -12.733 -2.988 0.000) 13.079 10.387 ( 12.733 -2.988 0.000) 13.079 11.402 ( -0.851 10.673 0.000) 10.707 11.402 ( 0.851 10.673 0.000) 10.707 11.603 ( -1.102 -9.049 0.000) 9.116 11.603 ( 1.102 -9.049 0.000) 9.116 11.943 ( -1.704 4.045 0.000) 4.389 11.943 ( 1.704 4.045 0.000) 4.389 12.046 ( -3.161 -6.695 0.000) 7.404 12.046 ( 3.161 -6.695 0.000) 7.404 14.624 ( -0.426 1.923 0.000) 1.970 14.624 ( 0.426 1.923 0.000) 1.970 14.670 ( -1.137 -2.685 0.000) 2.916 14.670 ( 1.137 -2.685 0.000) 2.916 15.284 ( -0.220 1.009 0.000) 1.032 15.284 ( 0.220 1.009 0.000) 1.032 15.292 ( -0.223 0.185 0.000) 0.290 15.292 ( 0.223 0.185 0.000) 0.290 15.494 ( -1.730 9.636 0.000) 9.790 15.494 ( 1.730 9.636 0.000) 9.790 15.676 ( -2.146 -7.941 0.000) 8.226 15.676 ( 2.146 -7.941 0.000) 8.226 16.048 ( -3.251 2.604 0.000) 4.165 16.048 ( 3.251 2.604 0.000) 4.165 16.108 ( -4.496 -2.763 0.000) 5.277 16.108 ( 4.496 -2.763 0.000) 5.277 16.338 ( -4.825 2.171 0.000) 5.291 16.338 ( 4.825 2.171 0.000) 5.291 16.382 ( -5.071 -1.726 0.000) 5.357 16.382 ( 5.071 -1.726 0.000) 5.357 17.471 ( -5.421 4.270 0.000) 6.901 17.471 ( 5.421 4.270 0.000) 6.901 17.554 ( -5.727 -3.851 0.000) 6.902 17.554 ( 5.727 -3.851 0.000) 6.902 17.788 ( -1.293 6.036 0.000) 6.173 17.788 ( 1.293 6.036 0.000) 6.173 17.915 ( -2.736 -6.631 0.000) 7.173 17.915 ( 2.736 -6.631 0.000) 7.173 19.882 ( -0.590 0.250 0.000) 0.641 19.882 ( 0.590 0.250 0.000) 0.641 19.890 ( -0.571 -0.495 0.000) 0.755 19.890 ( 0.571 -0.495 0.000) 0.755 21.617 ( -10.906 2.597 0.000) 11.211 21.617 ( 10.906 2.597 0.000) 11.211 21.675 ( -11.918 -3.364 0.000) 12.384 21.675 ( 11.918 -3.364 0.000) 12.384 22.161 ( -14.124 9.086 0.000) 16.794 22.161 ( 14.124 9.086 0.000) 16.794 22.335 ( -13.765 -8.311 0.000) 16.079 22.335 ( 13.765 -8.311 0.000) 16.079 25.119 ( -24.980 1.382 0.000) 25.018 25.119 ( 24.980 1.382 0.000) 25.018 25.145 ( -24.936 -1.187 0.000) 24.964 25.145 ( 24.936 -1.187 0.000) 24.964 25.717 ( -24.749 0.555 0.000) 24.755 25.717 ( 24.749 0.555 0.000) 24.755 25.734 ( -25.481 -1.130 0.000) 25.506 25.734 ( 25.481 -1.130 0.000) 25.506 28.607 ( -2.441 6.372 0.000) 6.823 28.607 ( 2.441 6.372 0.000) 6.823 28.758 ( -4.245 -8.772 0.000) 9.745 28.758 ( 4.245 -8.772 0.000) 9.745 31.297 ( -0.024 0.506 0.000) 0.507 31.297 ( 0.024 0.506 0.000) 0.507 31.308 ( -0.593 -0.634 0.000) 0.868 31.308 ( 0.593 -0.634 0.000) 0.868 34.054 ( -0.669 1.201 0.000) 1.375 34.054 ( 0.669 1.201 0.000) 1.375 34.076 ( -0.763 -0.983 0.000) 1.244 34.076 ( 0.763 -0.983 0.000) 1.244 35.157 ( -2.837 4.859 0.000) 5.626 35.157 ( 2.837 4.859 0.000) 5.626 35.274 ( -3.593 -6.294 0.000) 7.247 35.274 ( 3.593 -6.294 0.000) 7.247 35.486 ( -0.148 7.560 0.000) 7.561 35.486 ( 0.148 7.560 0.000) 7.561 35.626 ( -0.750 -5.698 0.000) 5.747 35.626 ( 0.750 -5.698 0.000) 5.747 36.666 ( -4.372 10.172 0.000) 11.072 36.666 ( 4.372 10.172 0.000) 11.072 36.859 ( -5.952 -9.067 0.000) 10.846 36.859 ( 5.952 -9.067 0.000) 10.846 47.724 ( -0.646 1.758 0.000) 1.873 47.724 ( 0.646 1.758 0.000) 1.873 47.758 ( -1.116 -1.611 0.000) 1.960 47.758 ( 1.116 -1.611 0.000) 1.960 48.290 ( -2.488 2.102 0.000) 3.257 48.290 ( 2.488 2.102 0.000) 3.257 48.331 ( -3.948 -1.946 0.000) 4.402 48.331 ( 3.948 -1.946 0.000) 4.402 98.095 ( -5.878 1.850 0.000) 6.163 98.095 ( 5.878 1.850 0.000) 6.163 98.112 ( -6.110 0.030 0.000) 6.110 98.112 ( 6.110 0.030 0.000) 6.110 99.537 ( -0.404 4.612 0.000) 4.630 99.537 ( 0.404 4.612 0.000) 4.630 99.641 ( -1.021 -5.631 0.000) 5.723 99.641 ( 1.021 -5.631 0.000) 5.723 104.831 ( -2.242 1.689 0.000) 2.807 104.831 ( 2.242 1.689 0.000) 2.807 104.863 ( -2.328 -1.454 0.000) 2.745 104.863 ( 2.328 -1.454 0.000) 2.745 105.109 ( -1.354 2.737 0.000) 3.054 105.109 ( 1.354 2.737 0.000) 3.054 105.167 ( -1.914 -2.991 0.000) 3.551 105.167 ( 1.914 -2.991 0.000) 3.551 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 0.000 27.788) 27.788 0.623 ( 0.000 0.000 30.162) 30.162 0.857 ( 0.000 0.000 40.978) 40.978 2.013 ( 0.000 0.000 -17.902) 17.902 2.097 ( 0.000 0.000 -11.696) 11.696 2.310 ( 0.000 0.000 -1.683) 1.683 2.312 ( 0.000 0.000 -1.157) 1.157 2.325 ( 0.000 0.000 1.040) 1.040 2.450 ( 0.000 0.000 -6.542) 6.542 2.536 ( 0.000 0.000 2.711) 2.711 2.643 ( 0.000 0.000 1.970) 1.970 2.709 ( 0.000 0.000 -5.466) 5.466 2.737 ( 0.000 0.000 2.374) 2.374 2.903 ( 0.000 0.000 -4.245) 4.245 2.993 ( 0.000 0.000 3.400) 3.400 3.177 ( 0.000 0.000 1.872) 1.872 3.303 ( 0.000 0.000 3.813) 3.813 3.365 ( 0.000 0.000 -0.641) 0.641 3.479 ( 0.000 0.000 -4.845) 4.845 3.559 ( 0.000 0.000 2.294) 2.294 3.597 ( 0.000 0.000 6.363) 6.363 3.689 ( 0.000 0.000 -16.605) 16.605 3.703 ( 0.000 0.000 5.963) 5.963 3.739 ( 0.000 0.000 6.690) 6.690 3.922 ( 0.000 0.000 0.237) 0.237 4.179 ( 0.000 0.000 -1.254) 1.254 4.256 ( 0.000 0.000 -5.208) 5.208 4.273 ( 0.000 0.000 -3.583) 3.583 4.512 ( 0.000 0.000 4.098) 4.098 4.657 ( 0.000 0.000 -6.720) 6.720 4.674 ( 0.000 0.000 -3.532) 3.532 4.957 ( 0.000 0.000 -9.501) 9.501 5.271 ( 0.000 0.000 -5.574) 5.574 5.279 ( 0.000 0.000 2.608) 2.608 5.447 ( 0.000 0.000 9.134) 9.134 5.509 ( 0.000 0.000 6.972) 6.972 5.626 ( 0.000 0.000 5.865) 5.865 5.782 ( 0.000 0.000 0.667) 0.667 5.877 ( 0.000 0.000 0.422) 0.422 5.958 ( 0.000 0.000 0.077) 0.077 5.959 ( 0.000 0.000 -4.675) 4.675 5.981 ( 0.000 0.000 -0.356) 0.356 6.032 ( 0.000 0.000 7.418) 7.418 6.232 ( 0.000 0.000 -3.783) 3.783 6.352 ( 0.000 0.000 -11.000) 11.000 6.519 ( 0.000 0.000 -1.611) 1.611 6.566 ( 0.000 0.000 2.880) 2.880 6.659 ( 0.000 0.000 -5.973) 5.973 6.697 ( 0.000 0.000 2.457) 2.457 6.748 ( 0.000 0.000 1.927) 1.927 6.789 ( 0.000 0.000 -0.574) 0.574 6.791 ( 0.000 0.000 2.109) 2.109 6.976 ( 0.000 0.000 -2.292) 2.292 7.015 ( 0.000 0.000 8.465) 8.465 7.182 ( 0.000 0.000 -6.319) 6.319 7.204 ( 0.000 0.000 -1.157) 1.157 7.261 ( 0.000 0.000 2.013) 2.013 7.338 ( 0.000 0.000 -1.137) 1.137 7.363 ( 0.000 0.000 -6.238) 6.238 7.487 ( 0.000 0.000 1.841) 1.841 7.515 ( 0.000 0.000 2.669) 2.669 7.824 ( 0.000 0.000 -0.289) 0.289 7.931 ( 0.000 0.000 -11.387) 11.387 7.995 ( 0.000 0.000 -0.001) 0.001 8.023 ( 0.000 0.000 -2.799) 2.799 8.214 ( 0.000 0.000 9.493) 9.493 8.326 ( 0.000 0.000 -8.119) 8.119 8.396 ( 0.000 0.000 5.160) 5.160 8.566 ( 0.000 0.000 -1.694) 1.694 8.641 ( 0.000 0.000 0.734) 0.734 8.648 ( 0.000 0.000 -2.029) 2.029 8.700 ( 0.000 0.000 -0.340) 0.340 9.344 ( 0.000 0.000 3.521) 3.521 9.502 ( 0.000 0.000 3.138) 3.138 9.511 ( 0.000 0.000 2.675) 2.675 9.601 ( 0.000 0.000 -1.452) 1.452 9.635 ( 0.000 0.000 -1.846) 1.846 9.683 ( 0.000 0.000 -3.084) 3.084 9.837 ( 0.000 0.000 8.857) 8.857 9.862 ( 0.000 0.000 1.166) 1.166 9.920 ( 0.000 0.000 0.272) 0.272 9.929 ( 0.000 0.000 -0.666) 0.666 10.174 ( 0.000 0.000 3.530) 3.530 10.212 ( 0.000 0.000 -2.205) 2.205 10.269 ( 0.000 0.000 -0.651) 0.651 10.298 ( 0.000 0.000 -0.523) 0.523 10.469 ( 0.000 0.000 4.961) 4.961 10.710 ( 0.000 0.000 -1.723) 1.723 11.180 ( 0.000 0.000 1.786) 1.786 11.483 ( 0.000 0.000 -4.981) 4.981 11.638 ( 0.000 0.000 0.784) 0.784 11.657 ( 0.000 0.000 0.674) 0.674 11.659 ( 0.000 0.000 0.251) 0.251 11.710 ( 0.000 0.000 -0.335) 0.335 11.798 ( 0.000 0.000 6.625) 6.625 12.383 ( 0.000 0.000 -7.490) 7.490 14.175 ( 0.000 0.000 -1.284) 1.284 14.224 ( 0.000 0.000 -2.933) 2.933 14.378 ( 0.000 0.000 1.939) 1.939 14.389 ( 0.000 0.000 2.314) 2.314 15.164 ( 0.000 0.000 1.832) 1.832 15.342 ( 0.000 0.000 5.286) 5.286 15.403 ( 0.000 0.000 4.513) 4.513 15.472 ( 0.000 0.000 -7.244) 7.244 15.535 ( 0.000 0.000 -0.532) 0.532 15.608 ( 0.000 0.000 -2.077) 2.077 15.652 ( 0.000 0.000 -1.662) 1.662 15.828 ( 0.000 0.000 -6.334) 6.334 15.860 ( 0.000 0.000 6.120) 6.120 16.077 ( 0.000 0.000 5.493) 5.493 16.140 ( 0.000 0.000 2.957) 2.957 16.185 ( 0.000 0.000 0.077) 0.077 16.349 ( 0.000 0.000 -1.443) 1.443 16.431 ( 0.000 0.000 -6.780) 6.780 16.520 ( 0.000 0.000 0.714) 0.714 16.583 ( 0.000 0.000 -0.726) 0.726 17.101 ( 0.000 0.000 5.717) 5.717 17.219 ( 0.000 0.000 3.374) 3.374 17.489 ( 0.000 0.000 -2.943) 2.943 17.513 ( 0.000 0.000 3.711) 3.711 17.793 ( 0.000 0.000 -2.563) 2.563 17.820 ( 0.000 0.000 -14.659) 14.659 18.391 ( 0.000 0.000 7.743) 7.743 18.486 ( 0.000 0.000 1.703) 1.703 19.835 ( 0.000 0.000 -1.070) 1.070 19.867 ( 0.000 0.000 -1.730) 1.730 19.945 ( 0.000 0.000 1.233) 1.233 19.972 ( 0.000 0.000 0.743) 0.743 21.044 ( 0.000 0.000 1.398) 1.398 21.164 ( 0.000 0.000 -1.357) 1.357 21.214 ( 0.000 0.000 3.616) 3.616 21.601 ( 0.000 0.000 -5.634) 5.634 22.447 ( 0.000 0.000 0.372) 0.372 22.480 ( 0.000 0.000 -0.384) 0.384 22.565 ( 0.000 0.000 2.283) 2.283 22.654 ( 0.000 0.000 -0.209) 0.209 23.548 ( 0.000 0.000 -0.050) 0.050 23.550 ( 0.000 0.000 -0.091) 0.091 23.645 ( 0.000 0.000 0.088) 0.088 23.685 ( 0.000 0.000 -0.910) 0.910 26.294 ( 0.000 0.000 0.416) 0.416 26.322 ( 0.000 0.000 -0.236) 0.236 26.995 ( 0.000 0.000 0.280) 0.280 27.012 ( 0.000 0.000 -0.137) 0.137 28.215 ( 0.000 0.000 1.992) 1.992 28.331 ( 0.000 0.000 -0.751) 0.751 28.486 ( 0.000 0.000 2.117) 2.117 28.688 ( 0.000 0.000 -2.629) 2.629 31.326 ( 0.000 0.000 -0.286) 0.286 31.329 ( 0.000 0.000 -0.252) 0.252 31.364 ( 0.000 0.000 1.464) 1.464 31.407 ( 0.000 0.000 0.278) 0.278 34.196 ( 0.000 0.000 1.021) 1.021 34.384 ( 0.000 0.000 0.817) 0.817 34.472 ( 0.000 0.000 6.972) 6.972 34.491 ( 0.000 0.000 -0.109) 0.109 35.044 ( 0.000 0.000 -2.462) 2.462 35.089 ( 0.000 0.000 1.945) 1.945 35.115 ( 0.000 0.000 -8.983) 8.983 35.154 ( 0.000 0.000 1.404) 1.404 35.247 ( 0.000 0.000 -1.438) 1.438 35.267 ( 0.000 0.000 -1.361) 1.361 35.537 ( 0.000 0.000 6.860) 6.860 35.831 ( 0.000 0.000 -2.343) 2.343 36.358 ( 0.000 0.000 0.458) 0.458 36.405 ( 0.000 0.000 -0.602) 0.602 37.333 ( 0.000 0.000 3.855) 3.855 37.761 ( 0.000 0.000 -6.011) 6.011 47.575 ( 0.000 0.000 0.538) 0.538 47.673 ( 0.000 0.000 -1.535) 1.535 47.725 ( 0.000 0.000 2.699) 2.699 47.916 ( 0.000 0.000 -1.786) 1.786 48.106 ( 0.000 0.000 0.431) 0.431 48.220 ( 0.000 0.000 -3.840) 3.840 48.422 ( 0.000 0.000 5.853) 5.853 48.718 ( 0.000 0.000 -2.554) 2.554 97.869 ( 0.000 0.000 0.296) 0.296 97.874 ( 0.000 0.000 0.177) 0.177 98.276 ( 0.000 0.000 1.677) 1.677 98.444 ( 0.000 0.000 -2.126) 2.126 99.530 ( 0.000 0.000 3.788) 3.788 99.845 ( 0.000 0.000 2.205) 2.205 99.909 ( 0.000 0.000 -4.417) 4.417 100.052 ( 0.000 0.000 -2.036) 2.036 104.729 ( 0.000 0.000 1.683) 1.683 104.796 ( 0.000 0.000 -0.166) 0.166 104.930 ( 0.000 0.000 0.454) 0.454 104.987 ( 0.000 0.000 -0.625) 0.625 105.088 ( 0.000 0.000 0.185) 0.185 105.162 ( 0.000 0.000 -2.661) 2.661 105.417 ( 0.000 0.000 5.821) 5.821 105.772 ( 0.000 0.000 -3.409) 3.409 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.756 ( 15.798 0.000 19.321) 24.958 0.831 ( 18.808 0.000 19.429) 27.041 1.428 ( 41.630 0.000 22.622) 47.379 1.951 ( -3.909 0.000 -14.953) 15.455 2.237 ( 9.981 0.000 -12.916) 16.323 2.296 ( -0.331 0.000 3.010) 3.029 2.392 ( 8.171 0.000 -1.400) 8.290 2.395 ( 5.811 0.000 0.559) 5.838 2.598 ( 5.244 0.000 -1.104) 5.359 2.613 ( 14.714 0.000 -4.760) 15.465 2.748 ( 1.880 0.000 1.009) 2.134 2.765 ( 8.659 0.000 2.601) 9.042 2.850 ( 12.256 0.000 -5.255) 13.335 2.991 ( 8.686 0.000 -4.193) 9.645 2.998 ( 2.667 0.000 0.416) 2.699 3.200 ( 1.955 0.000 2.746) 3.371 3.388 ( 8.653 0.000 1.508) 8.784 3.499 ( 6.310 0.000 -3.026) 6.998 3.506 ( -4.150 0.000 -2.886) 5.055 3.559 ( 2.456 0.000 -7.110) 7.522 3.569 ( 5.034 0.000 4.997) 7.093 3.732 ( 2.398 0.000 2.134) 3.211 3.744 ( 3.775 0.000 4.941) 6.218 3.857 ( 11.162 0.000 -3.182) 11.606 3.943 ( 2.606 0.000 0.959) 2.776 4.185 ( -0.462 0.000 -0.432) 0.632 4.267 ( 1.245 0.000 -4.858) 5.015 4.405 ( 9.443 0.000 -10.636) 14.222 4.526 ( 0.153 0.000 2.992) 2.996 4.597 ( -5.817 0.000 -1.864) 6.108 4.648 ( -0.795 0.000 -6.583) 6.631 4.916 ( -3.957 0.000 -7.983) 8.910 5.267 ( 0.233 0.000 -3.082) 3.091 5.322 ( 2.798 0.000 0.493) 2.841 5.377 ( -6.130 0.000 8.374) 10.378 5.499 ( -1.177 0.000 6.209) 6.320 5.520 ( -4.560 0.000 9.095) 10.174 5.706 ( -12.678 0.000 1.743) 12.797 5.803 ( -1.282 0.000 4.437) 4.618 5.862 ( -4.915 0.000 -3.722) 6.166 5.885 ( -4.341 0.000 -2.128) 4.834 5.987 ( -2.372 0.000 1.044) 2.592 6.088 ( -0.683 0.000 6.051) 6.089 6.183 ( -4.835 0.000 -4.904) 6.887 6.285 ( -3.283 0.000 -6.019) 6.856 6.501 ( -3.827 0.000 -4.343) 5.789 6.520 ( -6.553 0.000 -1.299) 6.681 6.585 ( -4.434 0.000 -1.233) 4.602 6.634 ( -6.822 0.000 1.136) 6.916 6.670 ( -2.476 0.000 -0.274) 2.492 6.776 ( 1.971 0.000 5.159) 5.523 6.786 ( -3.805 0.000 6.144) 7.227 6.930 ( -5.110 0.000 -0.205) 5.114 6.973 ( -3.931 0.000 -0.708) 3.995 7.089 ( -6.680 0.000 3.141) 7.381 7.227 ( -0.059 0.000 -2.089) 2.090 7.250 ( 2.260 0.000 0.768) 2.387 7.265 ( -7.929 0.000 4.406) 9.071 7.400 ( 2.918 0.000 -5.138) 5.909 7.442 ( -3.967 0.000 -1.815) 4.363 7.526 ( 1.943 0.000 4.426) 4.834 7.614 ( -10.569 0.000 8.405) 13.504 7.858 ( 2.903 0.000 0.108) 2.905 7.918 ( -4.590 0.000 -8.876) 9.993 7.974 ( -3.510 0.000 -2.185) 4.134 8.187 ( -1.959 0.000 7.573) 7.822 8.352 ( 1.736 0.000 -6.206) 6.444 8.378 ( -1.416 0.000 4.744) 4.951 8.458 ( -3.230 0.000 5.714) 6.563 8.558 ( -0.913 0.000 -1.448) 1.712 8.669 ( 1.369 0.000 -2.338) 2.709 8.712 ( 0.221 0.000 -1.131) 1.152 9.333 ( -0.636 0.000 2.638) 2.714 9.419 ( -3.521 0.000 -0.381) 3.542 9.517 ( 0.604 0.000 2.530) 2.602 9.548 ( -4.343 0.000 -1.348) 4.548 9.662 ( -0.039 0.000 -3.814) 3.814 9.684 ( 2.160 0.000 -2.373) 3.209 9.746 ( -4.996 0.000 5.108) 7.145 9.785 ( -4.422 0.000 8.339) 9.439 9.872 ( -0.687 0.000 3.111) 3.185 10.018 ( 4.446 0.000 -1.671) 4.749 10.158 ( -1.301 0.000 2.695) 2.993 10.286 ( -1.315 0.000 -0.854) 1.568 10.327 ( -5.836 0.000 -0.165) 5.839 10.365 ( 2.399 0.000 -1.493) 2.826 10.501 ( 5.019 0.000 4.729) 6.896 11.178 ( -0.117 0.000 2.082) 2.085 11.198 ( 13.573 0.000 -26.807) 30.047 11.369 ( -7.540 0.000 1.668) 7.722 11.667 ( -2.707 0.000 3.218) 4.205 11.671 ( 0.758 0.000 -3.591) 3.670 11.760 ( 8.429 0.000 0.284) 8.434 11.783 ( 4.334 0.000 -2.405) 4.956 11.899 ( 11.789 0.000 -2.129) 11.980 12.324 ( -4.246 0.000 -11.452) 12.214 14.238 ( 5.848 0.000 -1.282) 5.987 14.296 ( 5.754 0.000 -2.420) 6.242 14.410 ( 4.092 0.000 3.348) 5.287 14.515 ( 7.910 0.000 -3.073) 8.486 15.161 ( -0.200 0.000 2.179) 2.188 15.322 ( -1.756 0.000 5.403) 5.681 15.399 ( -0.515 0.000 3.290) 3.330 15.490 ( -3.708 0.000 0.476) 3.739 15.493 ( 1.803 0.000 -7.079) 7.305 15.556 ( -5.133 0.000 -0.387) 5.148 15.602 ( -4.238 0.000 -0.369) 4.254 15.829 ( -0.069 0.000 -6.978) 6.979 15.887 ( 2.397 0.000 6.065) 6.522 16.063 ( -11.960 0.000 17.183) 20.935 16.072 ( -0.381 0.000 5.545) 5.558 16.141 ( 0.159 0.000 3.248) 3.252 16.206 ( 1.851 0.000 0.088) 1.853 16.333 ( -6.924 0.000 -4.462) 8.237 16.360 ( 0.786 0.000 -1.694) 1.867 16.790 ( -0.179 0.000 -9.159) 9.161 17.200 ( 8.998 0.000 3.076) 9.509 17.215 ( -0.008 0.000 3.577) 3.577 17.478 ( -0.606 0.000 -0.853) 1.047 17.546 ( 2.213 0.000 1.027) 2.440 17.771 ( -2.016 0.000 -2.285) 3.047 17.873 ( 1.377 0.000 -6.050) 6.205 18.244 ( -6.276 0.000 3.284) 7.083 18.506 ( -5.106 0.000 -7.951) 9.449 19.849 ( 0.364 0.000 -0.780) 0.861 19.870 ( 0.634 0.000 -1.487) 1.616 19.951 ( 0.095 0.000 1.481) 1.484 19.967 ( -0.477 0.000 1.619) 1.688 21.111 ( 6.385 0.000 0.791) 6.433 21.188 ( 2.309 0.000 -0.979) 2.508 21.252 ( 3.518 0.000 3.953) 5.292 21.597 ( 4.943 0.000 -3.243) 5.912 22.302 ( -9.710 0.000 2.281) 9.975 22.494 ( -2.287 0.000 -2.091) 3.098 22.496 ( -4.920 0.000 4.263) 6.510 22.823 ( 4.913 0.000 -5.979) 7.739 23.681 ( 12.892 0.000 0.281) 12.895 23.709 ( 14.112 0.000 -0.358) 14.117 23.875 ( 21.253 0.000 0.334) 21.255 24.183 ( 30.341 0.000 -19.536) 36.086 26.211 ( -7.908 0.000 0.470) 7.922 26.245 ( -7.433 0.000 -0.299) 7.439 26.842 ( -12.324 0.000 4.047) 12.972 26.896 ( -9.120 0.000 0.055) 9.121 28.252 ( 3.320 0.000 1.948) 3.849 28.352 ( 2.439 0.000 -0.774) 2.559 28.486 ( 4.944 0.000 5.529) 7.417 28.998 ( 13.412 0.000 -17.000) 21.654 31.308 ( -0.972 0.000 0.472) 1.080 31.327 ( -0.571 0.000 -0.229) 0.616 31.358 ( -0.483 0.000 1.481) 1.558 31.403 ( -0.478 0.000 0.251) 0.540 34.167 ( -2.696 0.000 1.169) 2.939 34.285 ( -7.704 0.000 2.682) 8.158 34.359 ( -5.971 0.000 4.293) 7.354 34.498 ( -7.294 0.000 7.975) 10.807 34.896 ( -4.997 0.000 3.638) 6.181 35.061 ( 0.860 0.000 -1.664) 1.873 35.090 ( 0.563 0.000 1.435) 1.541 35.126 ( -0.924 0.000 0.735) 1.181 35.315 ( 5.489 0.000 -0.298) 5.497 35.360 ( 7.202 0.000 -1.285) 7.316 35.366 ( -1.907 0.000 11.015) 11.179 35.932 ( -0.137 0.000 -7.694) 7.695 36.354 ( -0.228 0.000 0.399) 0.460 36.397 ( -0.712 0.000 -0.554) 0.902 37.285 ( -4.391 0.000 3.583) 5.667 37.682 ( -7.296 0.000 -5.540) 9.161 47.587 ( 1.124 0.000 0.506) 1.233 47.679 ( 0.600 0.000 -1.433) 1.553 47.725 ( -0.001 0.000 2.562) 2.562 47.906 ( -0.929 0.000 -1.699) 1.937 48.124 ( 1.682 0.000 0.265) 1.703 48.221 ( -0.015 0.000 -3.511) 3.511 48.404 ( -1.690 0.000 5.473) 5.728 48.656 ( -4.018 0.000 -0.482) 4.047 97.881 ( 1.043 0.000 0.247) 1.071 97.884 ( 1.073 0.000 0.178) 1.087 98.255 ( -2.042 0.000 1.564) 2.572 98.409 ( -3.251 0.000 -1.931) 3.781 99.523 ( -0.639 0.000 3.548) 3.605 99.711 ( -12.216 0.000 9.480) 15.463 99.829 ( -2.268 0.000 2.332) 3.254 99.946 ( -3.521 0.000 -2.535) 4.338 104.732 ( 0.313 0.000 1.562) 1.593 104.801 ( 0.466 0.000 -0.263) 0.535 104.918 ( -1.105 0.000 0.556) 1.237 104.980 ( -0.668 0.000 -0.666) 0.943 105.086 ( -0.240 0.000 0.329) 0.408 105.141 ( -2.110 0.000 -0.018) 2.110 105.282 ( -8.885 0.000 12.011) 14.940 105.527 ( -8.296 0.000 4.259) 9.325 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 18.641 0.000 10.386) 21.339 1.299 ( 24.390 0.000 6.682) 25.288 1.892 ( -1.989 0.000 -9.812) 10.011 2.265 ( 32.535 0.000 8.755) 33.692 2.331 ( 4.350 0.000 5.348) 6.894 2.398 ( 7.116 0.000 -10.461) 12.652 2.543 ( 7.786 0.000 1.154) 7.871 2.613 ( 8.369 0.000 -2.495) 8.733 2.727 ( 5.247 0.000 -3.521) 6.319 2.794 ( 4.383 0.000 0.015) 4.383 2.939 ( 6.350 0.000 6.033) 8.759 2.958 ( 15.307 0.000 -6.394) 16.589 3.104 ( 9.679 0.000 -5.353) 11.061 3.166 ( 13.260 0.000 -1.578) 13.353 3.251 ( 14.872 0.000 -5.308) 15.791 3.257 ( 5.455 0.000 2.113) 5.850 3.449 ( 1.237 0.000 -8.317) 8.408 3.489 ( -2.675 0.000 -4.112) 4.906 3.608 ( 2.100 0.000 -2.754) 3.464 3.611 ( 10.718 0.000 -0.007) 10.718 3.801 ( 10.292 0.000 0.902) 10.332 3.813 ( 5.710 0.000 2.804) 6.362 3.855 ( 6.908 0.000 2.837) 7.468 4.049 ( 1.380 0.000 -0.414) 1.440 4.064 ( 8.449 0.000 1.843) 8.648 4.286 ( 15.672 0.000 -2.412) 15.856 4.321 ( 2.387 0.000 -3.467) 4.210 4.394 ( -5.572 0.000 2.660) 6.175 4.589 ( 1.658 0.000 -0.079) 1.660 4.595 ( 9.129 0.000 -8.175) 12.254 4.636 ( -0.268 0.000 -5.257) 5.264 4.804 ( -5.537 0.000 -4.003) 6.832 5.210 ( -9.175 0.000 6.865) 11.459 5.277 ( 0.417 0.000 2.002) 2.045 5.334 ( -0.699 0.000 2.892) 2.975 5.432 ( -10.643 0.000 1.675) 10.774 5.472 ( -3.697 0.000 2.161) 4.282 5.576 ( 8.600 0.000 3.737) 9.377 5.703 ( -5.259 0.000 0.447) 5.278 5.760 ( -7.088 0.000 -5.491) 8.966 5.766 ( -7.217 0.000 0.752) 7.256 5.921 ( -1.606 0.000 0.117) 1.610 5.994 ( -7.715 0.000 5.357) 9.392 6.054 ( -10.251 0.000 -1.017) 10.301 6.222 ( -1.327 0.000 2.320) 2.672 6.235 ( -17.047 0.000 -2.828) 17.280 6.378 ( -8.130 0.000 -0.549) 8.149 6.478 ( -7.156 0.000 -2.151) 7.473 6.543 ( -1.162 0.000 -0.666) 1.339 6.646 ( -0.240 0.000 -2.271) 2.284 6.662 ( -7.270 0.000 5.916) 9.373 6.791 ( -6.362 0.000 0.381) 6.373 6.829 ( -9.086 0.000 3.611) 9.777 6.889 ( 7.076 0.000 9.078) 11.510 6.959 ( -8.362 0.000 -2.316) 8.677 7.093 ( -5.634 0.000 -3.113) 6.437 7.219 ( -0.054 0.000 0.501) 0.504 7.341 ( 5.341 0.000 -0.892) 5.415 7.380 ( -2.397 0.000 -0.912) 2.565 7.468 ( 3.266 0.000 -4.956) 5.935 7.473 ( -5.860 0.000 3.757) 6.961 7.583 ( 1.712 0.000 -3.094) 3.536 7.785 ( -6.380 0.000 -4.413) 7.757 7.905 ( -3.375 0.000 -1.580) 3.726 7.928 ( 3.447 0.000 1.278) 3.676 8.147 ( -1.827 0.000 6.807) 7.048 8.354 ( -0.578 0.000 3.357) 3.406 8.377 ( 0.458 0.000 -5.674) 5.693 8.440 ( 0.144 0.000 5.053) 5.055 8.524 ( -2.348 0.000 -1.140) 2.610 8.675 ( -1.960 0.000 -4.774) 5.160 8.692 ( -1.478 0.000 -3.227) 3.549 9.339 ( 1.653 0.000 1.121) 1.997 9.347 ( -3.001 0.000 -1.335) 3.284 9.462 ( -3.377 0.000 0.279) 3.388 9.534 ( 0.907 0.000 1.850) 2.060 9.621 ( -5.989 0.000 6.151) 8.585 9.634 ( -1.445 0.000 -4.321) 4.556 9.690 ( -4.532 0.000 5.071) 6.801 9.747 ( 1.808 0.000 -1.478) 2.335 9.883 ( 1.549 0.000 4.328) 4.597 10.096 ( 2.722 0.000 -2.111) 3.445 10.133 ( -0.696 0.000 1.303) 1.477 10.202 ( -4.125 0.000 0.701) 4.184 10.240 ( -2.932 0.000 -0.924) 3.074 10.281 ( -5.188 0.000 -0.641) 5.227 10.712 ( 7.732 0.000 3.947) 8.682 11.115 ( -13.977 0.000 -4.962) 14.832 11.179 ( 0.308 0.000 2.970) 2.986 11.236 ( -4.627 0.000 4.758) 6.637 11.687 ( 0.785 0.000 -4.063) 4.138 11.708 ( 4.467 0.000 -2.779) 5.261 11.835 ( 0.442 0.000 -5.317) 5.335 11.886 ( -0.633 0.000 -2.306) 2.392 11.997 ( 3.986 0.000 3.735) 5.462 12.310 ( 2.111 0.000 -10.337) 10.550 14.389 ( 7.827 0.000 -1.048) 7.897 14.434 ( 6.860 0.000 -1.182) 6.961 14.519 ( 5.887 0.000 2.303) 6.322 14.656 ( 5.337 0.000 -2.444) 5.871 15.160 ( 0.139 0.000 3.078) 3.082 15.278 ( -2.296 0.000 5.758) 6.199 15.376 ( -1.909 0.000 1.207) 2.259 15.407 ( -3.937 0.000 0.563) 3.977 15.432 ( -5.508 0.000 1.558) 5.724 15.499 ( -5.288 0.000 -0.972) 5.377 15.543 ( 2.946 0.000 -7.034) 7.626 15.817 ( -1.266 0.000 -8.063) 8.162 15.957 ( 4.315 0.000 4.815) 6.466 16.003 ( 3.196 0.000 7.398) 8.059 16.069 ( 0.239 0.000 5.471) 5.476 16.143 ( -0.161 0.000 3.796) 3.799 16.224 ( -3.115 0.000 -1.184) 3.333 16.255 ( 2.643 0.000 -0.097) 2.645 16.372 ( 0.277 0.000 -1.865) 1.885 16.708 ( -6.403 0.000 -6.827) 9.360 17.235 ( 2.171 0.000 3.364) 4.003 17.394 ( 8.803 0.000 1.599) 8.947 17.464 ( -0.820 0.000 -0.328) 0.883 17.582 ( 0.934 0.000 -0.334) 0.992 17.713 ( -3.488 0.000 -1.663) 3.864 17.859 ( -1.972 0.000 1.306) 2.365 18.137 ( -4.588 0.000 -2.983) 5.472 18.325 ( -10.495 0.000 -8.734) 13.653 19.855 ( 0.453 0.000 0.151) 0.478 19.885 ( 0.477 0.000 -0.923) 1.039 19.942 ( -0.841 0.000 2.027) 2.194 19.954 ( -0.720 0.000 1.686) 1.833 21.263 ( 5.031 0.000 0.087) 5.032 21.300 ( 11.400 0.000 -0.740) 11.424 21.370 ( 7.851 0.000 4.123) 8.868 21.783 ( 10.899 0.000 -7.724) 13.358 22.077 ( -11.449 0.000 3.855) 12.080 22.377 ( -6.009 0.000 7.928) 9.948 22.382 ( -8.076 0.000 -3.183) 8.680 22.832 ( -3.194 0.000 -4.907) 5.855 24.052 ( 21.860 0.000 0.583) 21.868 24.103 ( 22.788 0.000 -0.577) 22.796 24.451 ( 31.771 0.000 0.282) 31.772 24.735 ( 24.205 0.000 -10.808) 26.509 25.968 ( -15.273 0.000 0.607) 15.285 26.015 ( -14.561 0.000 -0.454) 14.568 26.547 ( -16.104 0.000 2.795) 16.345 26.636 ( -15.569 0.000 -0.395) 15.574 28.342 ( 4.887 0.000 1.761) 5.194 28.422 ( 3.727 0.000 -0.780) 3.808 28.640 ( 8.737 0.000 4.445) 9.803 29.137 ( 1.446 0.000 -10.655) 10.752 31.291 ( -0.597 0.000 0.574) 0.828 31.312 ( -0.645 0.000 0.041) 0.647 31.343 ( -0.982 0.000 1.210) 1.559 31.385 ( -1.200 0.000 0.170) 1.212 34.096 ( -3.547 0.000 2.057) 4.100 34.146 ( -4.990 0.000 2.860) 5.751 34.227 ( -5.994 0.000 2.424) 6.466 34.316 ( -7.921 0.000 4.835) 9.280 34.951 ( 5.531 0.000 0.870) 5.599 35.086 ( 1.254 0.000 -0.972) 1.587 35.120 ( 2.208 0.000 0.999) 2.423 35.134 ( 1.585 0.000 0.635) 1.708 35.378 ( 2.134 0.000 6.025) 6.392 35.450 ( 6.859 0.000 0.279) 6.864 35.517 ( 7.026 0.000 -1.161) 7.122 35.861 ( -5.616 0.000 -5.657) 7.971 36.359 ( 1.012 0.000 0.146) 1.023 36.383 ( -0.355 0.000 -0.363) 0.508 37.164 ( -6.754 0.000 2.810) 7.315 37.478 ( -11.617 0.000 -4.386) 12.418 47.619 ( 1.812 0.000 0.457) 1.869 47.697 ( 1.041 0.000 -1.096) 1.512 47.725 ( 0.037 0.000 2.079) 2.079 47.878 ( -1.739 0.000 -1.460) 2.270 48.175 ( 3.090 0.000 -0.146) 3.094 48.222 ( 0.277 0.000 -2.215) 2.232 48.357 ( -2.593 0.000 4.462) 5.161 48.569 ( -4.473 0.000 -0.981) 4.580 97.910 ( 1.834 0.000 0.317) 1.861 97.923 ( 2.616 0.000 -0.007) 2.616 98.195 ( -3.521 0.000 1.285) 3.748 98.317 ( -5.237 0.000 -1.480) 5.442 99.506 ( -0.920 0.000 3.022) 3.159 99.548 ( -4.318 0.000 6.669) 7.945 99.781 ( -2.116 0.000 0.705) 2.231 99.873 ( -3.571 0.000 -3.065) 4.706 104.743 ( 0.775 0.000 1.282) 1.499 104.815 ( 0.881 0.000 -0.561) 1.044 104.888 ( -1.711 0.000 0.838) 1.905 104.959 ( -1.374 0.000 -0.712) 1.547 105.072 ( -0.934 0.000 2.801) 2.953 105.101 ( -0.869 0.000 2.977) 3.101 105.192 ( -1.355 0.000 2.190) 2.576 105.400 ( -5.217 0.000 0.545) 5.245 ======================= Grid point 48 (19/45) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.488 ( 14.868 0.000 4.796) 15.622 1.805 ( 23.529 0.000 0.261) 23.531 1.844 ( -3.263 0.000 -4.213) 5.329 2.477 ( 8.872 0.000 4.552) 9.971 2.511 ( 1.857 0.000 -10.005) 10.176 2.564 ( -1.325 0.000 0.040) 1.326 2.686 ( -0.535 0.000 -5.090) 5.119 2.695 ( 5.273 0.000 1.595) 5.509 2.770 ( 1.185 0.000 1.992) 2.318 2.921 ( 3.626 0.000 1.556) 3.945 3.031 ( 4.717 0.000 1.923) 5.094 3.159 ( 6.702 0.000 -9.492) 11.620 3.283 ( 0.664 0.000 -10.087) 10.108 3.379 ( -6.719 0.000 -7.836) 10.322 3.409 ( 13.362 0.000 0.909) 13.393 3.515 ( 14.540 0.000 -1.944) 14.669 3.576 ( 13.694 0.000 -3.333) 14.094 3.599 ( 6.458 0.000 -0.033) 6.458 3.673 ( 9.174 0.000 -2.379) 9.478 3.791 ( 6.093 0.000 -1.860) 6.371 3.947 ( 4.867 0.000 1.351) 5.051 3.964 ( 5.560 0.000 -1.934) 5.886 3.978 ( 3.108 0.000 -3.514) 4.691 4.021 ( -0.832 0.000 2.764) 2.887 4.164 ( 0.374 0.000 1.958) 1.993 4.261 ( 2.132 0.000 1.871) 2.836 4.484 ( -0.733 0.000 5.442) 5.491 4.536 ( -8.111 0.000 1.615) 8.270 4.715 ( 22.476 0.000 -2.156) 22.579 4.720 ( 13.917 0.000 -2.550) 14.149 4.806 ( 11.771 0.000 -2.932) 12.130 4.823 ( 7.587 0.000 -3.172) 8.224 5.038 ( -5.868 0.000 5.381) 7.961 5.240 ( -5.597 0.000 -2.156) 5.998 5.277 ( -0.443 0.000 5.985) 6.001 5.336 ( 0.121 0.000 4.248) 4.250 5.390 ( -5.158 0.000 -0.402) 5.174 5.536 ( -11.679 0.000 3.551) 12.207 5.601 ( -9.910 0.000 -1.403) 10.009 5.623 ( -6.477 0.000 -6.020) 8.843 5.737 ( -1.777 0.000 0.224) 1.791 5.784 ( -12.090 0.000 0.077) 12.090 5.822 ( -2.966 0.000 -1.415) 3.286 5.860 ( -16.452 0.000 -0.392) 16.456 5.967 ( 8.456 0.000 3.315) 9.083 6.233 ( -4.526 0.000 2.549) 5.195 6.247 ( 3.706 0.000 2.329) 4.377 6.320 ( -7.065 0.000 1.220) 7.169 6.464 ( -10.584 0.000 0.859) 10.619 6.573 ( 1.368 0.000 2.450) 2.806 6.639 ( -0.306 0.000 -2.717) 2.734 6.654 ( -7.854 0.000 10.134) 12.822 6.687 ( -3.401 0.000 -1.263) 3.627 6.733 ( -10.114 0.000 -9.019) 13.551 7.041 ( 6.865 0.000 7.536) 10.194 7.054 ( 1.191 0.000 -7.340) 7.436 7.213 ( -1.042 0.000 3.393) 3.550 7.295 ( -6.939 0.000 -4.884) 8.485 7.380 ( -1.504 0.000 5.180) 5.394 7.453 ( 4.996 0.000 -1.620) 5.252 7.519 ( -6.683 0.000 -4.460) 8.035 7.523 ( 1.739 0.000 -4.442) 4.770 7.744 ( 1.714 0.000 0.784) 1.884 7.839 ( -2.753 0.000 -0.776) 2.860 7.995 ( 2.977 0.000 2.864) 4.131 8.108 ( -2.117 0.000 6.398) 6.739 8.360 ( 1.133 0.000 1.831) 2.153 8.378 ( 0.124 0.000 -5.158) 5.160 8.433 ( -1.079 0.000 2.470) 2.695 8.464 ( -3.246 0.000 -1.683) 3.656 8.612 ( -2.664 0.000 -4.808) 5.497 8.647 ( -2.968 0.000 -4.543) 5.426 9.315 ( 0.122 0.000 -0.199) 0.234 9.407 ( 4.681 0.000 0.168) 4.684 9.407 ( -2.323 0.000 1.129) 2.583 9.533 ( -2.097 0.000 4.812) 5.249 9.549 ( 0.230 0.000 1.253) 1.274 9.593 ( -4.540 0.000 2.500) 5.183 9.611 ( -0.634 0.000 -3.749) 3.802 9.719 ( -3.983 0.000 -0.869) 4.077 9.945 ( 4.053 0.000 2.598) 4.814 10.105 ( -2.012 0.000 -0.310) 2.036 10.141 ( 0.986 0.000 -0.254) 1.018 10.189 ( -1.306 0.000 0.647) 1.458 10.211 ( 4.679 0.000 1.103) 4.807 10.243 ( 3.631 0.000 -0.231) 3.638 10.659 ( -11.975 0.000 1.877) 12.121 10.798 ( -15.572 0.000 -0.952) 15.601 11.178 ( -0.759 0.000 4.078) 4.148 11.188 ( -0.063 0.000 3.001) 3.001 11.708 ( 1.421 0.000 -4.204) 4.438 11.767 ( 3.241 0.000 0.129) 3.243 11.809 ( -2.464 0.000 -5.630) 6.146 11.878 ( 0.760 0.000 1.561) 1.736 12.132 ( 6.791 0.000 0.969) 6.860 12.324 ( -1.336 0.000 -3.733) 3.965 14.531 ( 5.204 0.000 -0.389) 5.218 14.553 ( 4.026 0.000 0.241) 4.033 14.642 ( 5.573 0.000 -0.038) 5.573 14.734 ( 1.972 0.000 -1.546) 2.505 15.169 ( 0.805 0.000 4.199) 4.275 15.231 ( -2.085 0.000 5.762) 6.128 15.316 ( -2.972 0.000 0.234) 2.981 15.326 ( -3.298 0.000 0.735) 3.379 15.365 ( -1.604 0.000 0.172) 1.613 15.400 ( -3.777 0.000 -1.022) 3.913 15.614 ( 3.805 0.000 -7.259) 8.196 15.772 ( -3.023 0.000 -8.311) 8.844 16.051 ( 4.454 0.000 3.020) 5.382 16.083 ( 1.006 0.000 5.043) 5.142 16.126 ( 6.036 0.000 0.099) 6.036 16.131 ( -0.925 0.000 4.203) 4.303 16.197 ( 1.348 0.000 2.036) 2.441 16.309 ( 2.393 0.000 -0.570) 2.460 16.370 ( -0.494 0.000 -1.599) 1.673 16.546 ( -8.836 0.000 -4.848) 10.079 17.303 ( 4.048 0.000 2.381) 4.696 17.441 ( -1.565 0.000 0.188) 1.576 17.564 ( 7.636 0.000 1.912) 7.871 17.585 ( -0.335 0.000 -0.965) 1.022 17.636 ( -3.480 0.000 -1.117) 3.655 17.806 ( -3.255 0.000 2.049) 3.847 18.049 ( -3.479 0.000 -3.141) 4.687 18.124 ( -7.861 0.000 -7.259) 10.700 19.869 ( 0.797 0.000 0.393) 0.888 19.889 ( -0.036 0.000 -0.106) 0.112 19.924 ( -0.698 0.000 1.738) 1.873 19.937 ( -0.915 0.000 1.413) 1.683 21.398 ( 7.882 0.000 1.476) 8.019 21.566 ( 13.143 0.000 -2.781) 13.434 21.571 ( 11.006 0.000 3.441) 11.532 21.841 ( -10.494 0.000 4.689) 11.494 21.941 ( 0.433 0.000 -7.570) 7.582 22.169 ( -12.107 0.000 -3.321) 12.554 22.316 ( 3.414 0.000 7.322) 8.079 22.709 ( -8.324 0.000 -3.956) 9.216 24.556 ( 25.746 0.000 0.785) 25.758 24.622 ( 26.181 0.000 -0.707) 26.191 25.123 ( 31.463 0.000 -0.236) 31.464 25.234 ( 24.054 0.000 -3.902) 24.368 25.584 ( -21.371 0.000 0.759) 21.384 25.644 ( -20.783 0.000 -0.624) 20.793 26.169 ( -20.126 0.000 1.447) 20.178 26.252 ( -21.214 0.000 -0.761) 21.228 28.439 ( 4.043 0.000 1.363) 4.267 28.487 ( 2.063 0.000 -0.015) 2.063 28.824 ( 8.576 0.000 2.309) 8.881 29.104 ( -3.981 0.000 -4.657) 6.126 31.285 ( 0.082 0.000 0.552) 0.559 31.307 ( 0.170 0.000 0.124) 0.211 31.319 ( -1.192 0.000 0.845) 1.461 31.355 ( -1.618 0.000 0.044) 1.618 34.043 ( -1.328 0.000 1.756) 2.202 34.070 ( -2.472 0.000 1.435) 2.859 34.128 ( -3.189 0.000 1.175) 3.398 34.177 ( -5.302 0.000 1.731) 5.578 35.054 ( 3.825 0.000 0.737) 3.895 35.107 ( 0.601 0.000 0.001) 0.601 35.171 ( 2.269 0.000 0.826) 2.415 35.176 ( 1.977 0.000 0.664) 2.085 35.449 ( 4.778 0.000 2.194) 5.258 35.577 ( 4.849 0.000 0.296) 4.858 35.625 ( 2.982 0.000 -0.728) 3.069 35.723 ( -7.210 0.000 -3.793) 8.147 36.392 ( 1.438 0.000 -0.023) 1.438 36.401 ( 2.468 0.000 -0.166) 2.473 37.037 ( -4.226 0.000 1.413) 4.456 37.229 ( -11.527 0.000 -2.908) 11.888 47.658 ( 1.779 0.000 0.522) 1.854 47.707 ( -0.369 0.000 0.713) 0.803 47.741 ( 1.713 0.000 -0.096) 1.716 47.835 ( -2.290 0.000 -1.126) 2.552 48.224 ( 1.180 0.000 -0.368) 1.236 48.261 ( 3.855 0.000 -0.569) 3.896 48.303 ( -2.282 0.000 2.826) 3.632 48.469 ( -5.067 0.000 -1.236) 5.216 97.959 ( 2.930 0.000 0.467) 2.967 97.992 ( 3.961 0.000 -0.286) 3.971 98.114 ( -4.111 0.000 0.964) 4.222 98.201 ( -5.706 0.000 -1.005) 5.794 99.488 ( -0.684 0.000 2.626) 2.713 99.494 ( -1.367 0.000 3.690) 3.935 99.751 ( -0.590 0.000 -0.646) 0.875 99.804 ( -2.898 0.000 -2.460) 3.801 104.765 ( 1.325 0.000 0.965) 1.640 104.828 ( -0.492 0.000 -0.598) 0.775 104.860 ( -0.023 0.000 0.833) 0.833 104.925 ( -1.833 0.000 -0.646) 1.943 105.065 ( 0.273 0.000 2.731) 2.744 105.089 ( -0.534 0.000 2.097) 2.164 105.189 ( 0.891 0.000 -0.463) 1.004 105.301 ( -4.230 0.000 -0.672) 4.283 ======================= Grid point 49 (20/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -8.266 0.000 0.292) 8.272 1.730 ( 8.266 0.000 0.292) 8.272 2.254 ( -18.956 0.000 -2.620) 19.137 2.254 ( 18.956 0.000 -2.620) 19.137 2.639 ( -3.768 0.000 -7.213) 8.138 2.639 ( 3.768 0.000 -7.213) 8.138 2.652 ( -6.814 0.000 3.604) 7.709 2.652 ( 6.814 0.000 3.604) 7.709 2.876 ( -5.793 0.000 4.877) 7.572 2.876 ( 5.793 0.000 4.877) 7.572 3.196 ( -9.540 0.000 -5.853) 11.193 3.196 ( 9.540 0.000 -5.853) 11.193 3.253 ( -2.740 0.000 -9.918) 10.289 3.253 ( 2.740 0.000 -9.918) 10.289 3.574 ( -3.683 0.000 -1.710) 4.061 3.574 ( 3.683 0.000 -1.710) 4.061 3.773 ( -6.286 0.000 -2.762) 6.866 3.773 ( 6.286 0.000 -2.761) 6.866 3.803 ( -6.344 0.000 -2.192) 6.712 3.803 ( 6.344 0.000 -2.192) 6.712 3.999 ( -0.900 0.000 -6.966) 7.024 3.999 ( 0.900 0.000 -6.966) 7.024 4.020 ( -3.530 0.000 4.339) 5.594 4.020 ( 3.530 0.000 4.339) 5.594 4.267 ( -7.104 0.000 1.437) 7.248 4.267 ( 7.104 0.000 1.437) 7.248 4.415 ( -3.517 0.000 7.041) 7.871 4.415 ( 3.517 0.000 7.041) 7.871 4.902 ( -2.771 0.000 0.840) 2.895 4.902 ( 2.771 0.000 0.840) 2.895 5.063 ( -6.356 0.000 -1.742) 6.590 5.063 ( 6.356 0.000 -1.742) 6.590 5.147 ( -11.358 0.000 -1.184) 11.420 5.147 ( 11.358 0.000 -1.184) 11.420 5.244 ( -11.573 0.000 2.939) 11.940 5.244 ( 11.573 0.000 2.939) 11.940 5.368 ( -2.683 0.000 7.208) 7.691 5.368 ( 2.683 0.000 7.208) 7.691 5.376 ( -11.407 0.000 -3.452) 11.918 5.376 ( 11.407 0.000 -3.452) 11.918 5.665 ( -2.675 0.000 -2.543) 3.691 5.665 ( 2.675 0.000 -2.543) 3.691 5.767 ( -3.665 0.000 -1.500) 3.960 5.767 ( 3.665 0.000 -1.500) 3.960 6.214 ( -2.544 0.000 3.707) 4.496 6.214 ( 2.544 0.000 3.707) 4.496 6.221 ( -12.543 0.000 -0.105) 12.543 6.221 ( 12.543 0.000 -0.105) 12.543 6.402 ( -11.344 0.000 0.375) 11.351 6.402 ( 11.344 0.000 0.375) 11.351 6.631 ( -2.270 0.000 3.693) 4.335 6.631 ( 2.270 0.000 3.693) 4.335 6.643 ( -0.983 0.000 -2.520) 2.705 6.643 ( 0.983 0.000 -2.520) 2.705 7.140 ( -6.701 0.000 -9.140) 11.333 7.140 ( 6.701 0.000 -9.140) 11.333 7.159 ( -4.246 0.000 5.654) 7.071 7.159 ( 4.246 0.000 5.654) 7.071 7.402 ( -3.573 0.000 3.529) 5.022 7.402 ( 3.573 0.000 3.529) 5.022 7.527 ( -1.678 0.000 -3.097) 3.522 7.527 ( 1.678 0.000 -3.097) 3.522 7.789 ( -2.204 0.000 -0.631) 2.293 7.789 ( 2.204 0.000 -0.631) 2.293 8.055 ( -2.842 0.000 4.783) 5.564 8.055 ( 2.842 0.000 4.783) 5.564 8.397 ( -2.124 0.000 1.029) 2.360 8.397 ( 2.124 0.000 1.029) 2.360 8.402 ( -2.302 0.000 -3.289) 4.014 8.402 ( 2.302 0.000 -3.289) 4.014 8.595 ( -1.203 0.000 -4.527) 4.684 8.595 ( 1.203 0.000 -4.527) 4.684 9.350 ( -2.856 0.000 0.984) 3.020 9.350 ( 2.856 0.000 0.984) 3.020 9.510 ( -4.227 0.000 0.511) 4.258 9.510 ( 4.227 0.000 0.511) 4.258 9.528 ( -1.411 0.000 2.344) 2.736 9.528 ( 1.411 0.000 2.344) 2.736 9.633 ( -3.060 0.000 -2.640) 4.041 9.633 ( 3.060 0.000 -2.640) 4.041 10.034 ( -4.193 0.000 1.554) 4.472 10.034 ( 4.193 0.000 1.554) 4.472 10.167 ( -1.248 0.000 0.569) 1.372 10.167 ( 1.248 0.000 0.569) 1.372 10.371 ( -9.948 0.000 0.794) 9.980 10.371 ( 9.948 0.000 0.794) 9.980 10.471 ( -13.001 0.000 0.419) 13.008 10.471 ( 13.001 0.000 0.419) 13.008 11.181 ( -0.594 0.000 2.890) 2.950 11.181 ( 0.594 0.000 2.890) 2.950 11.752 ( -2.675 0.000 -4.758) 5.459 11.752 ( 2.675 0.000 -4.758) 5.459 11.852 ( -3.450 0.000 2.361) 4.180 11.852 ( 3.450 0.000 2.361) 4.180 12.257 ( -4.899 0.000 -0.952) 4.991 12.257 ( 4.899 0.000 -0.952) 4.991 14.591 ( -0.473 0.000 0.311) 0.566 14.591 ( 0.473 0.000 0.311) 0.566 14.730 ( -2.418 0.000 -1.201) 2.699 14.730 ( 2.418 0.000 -1.201) 2.699 15.194 ( -1.514 0.000 5.192) 5.409 15.194 ( 1.514 0.000 5.192) 5.409 15.286 ( -0.324 0.000 0.522) 0.614 15.286 ( 0.324 0.000 0.522) 0.614 15.353 ( -0.686 0.000 -0.767) 1.029 15.353 ( 0.686 0.000 -0.767) 1.029 15.697 ( -4.001 0.000 -7.796) 8.763 15.697 ( 4.001 0.000 -7.796) 8.763 16.107 ( -1.250 0.000 4.553) 4.721 16.107 ( 1.250 0.000 4.553) 4.721 16.130 ( -2.733 0.000 1.177) 2.975 16.130 ( 2.733 0.000 1.177) 2.975 16.350 ( -1.491 0.000 -1.122) 1.866 16.350 ( 1.491 0.000 -1.122) 1.866 16.350 ( -9.646 0.000 -1.681) 9.791 16.350 ( 9.646 0.000 -1.681) 9.791 17.388 ( -3.640 0.000 1.167) 3.822 17.388 ( 3.640 0.000 1.167) 3.822 17.587 ( -0.989 0.000 -1.045) 1.439 17.587 ( 0.989 0.000 -1.045) 1.439 17.710 ( -6.083 0.000 1.886) 6.369 17.710 ( 6.083 0.000 1.886) 6.369 18.022 ( -1.640 0.000 -4.485) 4.776 18.022 ( 1.640 0.000 -4.485) 4.776 19.883 ( -0.510 0.000 0.383) 0.638 19.883 ( 0.510 0.000 0.383) 0.638 19.921 ( -0.436 0.000 1.335) 1.404 19.921 ( 0.436 0.000 1.335) 1.404 21.584 ( -9.520 0.000 2.077) 9.744 21.584 ( 9.520 0.000 2.077) 9.744 21.804 ( -10.549 0.000 0.842) 10.583 21.804 ( 10.549 0.000 0.842) 10.583 21.894 ( -13.586 0.000 -2.032) 13.737 21.894 ( 13.586 0.000 -2.032) 13.737 22.501 ( -11.065 0.000 -1.267) 11.138 22.501 ( 11.065 0.000 -1.267) 11.138 25.094 ( -25.212 0.000 0.837) 25.226 25.094 ( 25.212 0.000 0.837) 25.226 25.162 ( -25.075 0.000 -0.721) 25.086 25.162 ( 25.075 0.000 -0.721) 25.086 25.697 ( -14.225 0.000 -1.129) 14.270 25.697 ( 14.225 0.000 -1.129) 14.270 25.768 ( -16.253 0.000 0.010) 16.253 25.768 ( 16.253 0.000 0.010) 16.253 28.496 ( -1.227 0.000 0.804) 1.466 28.496 ( 1.227 0.000 0.804) 1.466 28.988 ( -6.954 0.000 -0.694) 6.989 28.988 ( 6.954 0.000 -0.694) 6.989 31.295 ( -0.852 0.000 0.706) 1.106 31.295 ( 0.852 0.000 0.706) 1.106 31.324 ( -1.225 0.000 -0.036) 1.225 31.324 ( 1.225 0.000 -0.036) 1.225 34.039 ( -0.696 0.000 1.322) 1.494 34.039 ( 0.696 0.000 1.322) 1.494 34.106 ( -1.259 0.000 0.828) 1.507 34.106 ( 1.259 0.000 0.828) 1.507 35.104 ( -1.063 0.000 0.717) 1.282 35.104 ( 1.063 0.000 0.717) 1.282 35.199 ( -0.139 0.000 0.737) 0.750 35.199 ( 0.139 0.000 0.737) 0.750 35.573 ( -6.879 0.000 -1.296) 7.000 35.573 ( 6.879 0.000 -1.296) 7.000 35.641 ( -1.243 0.000 -0.135) 1.250 35.641 ( 1.243 0.000 -0.135) 1.250 36.425 ( -0.768 0.000 0.069) 0.771 36.425 ( 0.768 0.000 0.069) 0.771 37.041 ( -5.241 0.000 -0.908) 5.319 37.041 ( 5.241 0.000 -0.908) 5.319 47.689 ( -1.215 0.000 0.773) 1.440 47.689 ( 1.215 0.000 0.773) 1.440 47.785 ( -2.388 0.000 -0.761) 2.507 47.785 ( 2.388 0.000 -0.761) 2.507 48.254 ( -1.821 0.000 1.346) 2.265 48.254 ( 1.821 0.000 1.346) 2.265 48.362 ( -5.035 0.000 -1.087) 5.150 48.362 ( 5.035 0.000 -1.087) 5.150 98.030 ( -3.814 0.000 0.676) 3.873 98.030 ( 3.814 0.000 0.676) 3.873 98.087 ( -5.101 0.000 -0.604) 5.137 98.087 ( 5.101 0.000 -0.604) 5.137 99.480 ( -0.047 0.000 2.692) 2.693 99.480 ( 0.047 0.000 2.692) 2.693 99.759 ( -1.332 0.000 -1.664) 2.131 99.759 ( 1.332 0.000 -1.664) 2.131 104.797 ( -1.724 0.000 0.577) 1.818 104.797 ( 1.724 0.000 0.577) 1.818 104.886 ( -1.778 0.000 -0.354) 1.813 104.886 ( 1.778 0.000 -0.354) 1.813 105.076 ( -0.671 0.000 2.118) 2.222 105.076 ( 0.671 0.000 2.118) 2.222 105.227 ( -2.764 0.000 -0.915) 2.912 105.227 ( 2.764 0.000 -0.915) 2.912 ======================= Grid point 54 (21/45) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 15.386 23.120) 27.771 0.813 ( 0.000 16.744 20.848) 26.739 1.196 ( 0.000 31.975 22.669) 39.195 1.967 ( 0.000 -13.924 -0.555) 13.935 2.082 ( 0.000 -0.834 -12.956) 12.983 2.151 ( 0.000 -11.042 -9.325) 14.453 2.251 ( 0.000 0.092 -9.727) 9.727 2.403 ( 0.000 6.889 -1.467) 7.044 2.404 ( 0.000 2.399 0.564) 2.464 2.607 ( 0.000 -6.647 -5.124) 8.393 2.630 ( 0.000 3.950 0.708) 4.013 2.739 ( 0.000 1.402 -2.475) 2.845 2.808 ( 0.000 -5.083 -7.574) 9.122 2.812 ( 0.000 5.359 2.022) 5.728 3.091 ( 0.000 5.179 3.032) 6.001 3.189 ( 0.000 2.066 0.053) 2.067 3.349 ( 0.000 -1.643 0.648) 1.766 3.389 ( 0.000 7.635 2.417) 8.008 3.438 ( 0.000 -3.596 -4.166) 5.503 3.537 ( 0.000 0.302 3.194) 3.209 3.591 ( 0.000 -5.112 -15.705) 16.516 3.631 ( 0.000 3.590 5.827) 6.844 3.824 ( 0.000 6.630 3.283) 7.399 3.905 ( 0.000 12.119 4.980) 13.102 4.049 ( 0.000 7.182 -1.526) 7.342 4.050 ( 0.000 -12.449 -4.497) 13.236 4.094 ( 0.000 -7.893 -0.669) 7.921 4.332 ( 0.000 -1.138 0.024) 1.138 4.533 ( 0.000 1.998 3.742) 4.242 4.584 ( 0.000 -7.951 -2.346) 8.290 4.621 ( 0.000 -3.206 -5.194) 6.104 4.873 ( 0.000 -7.620 -3.194) 8.262 5.293 ( 0.000 1.810 2.023) 2.714 5.296 ( 0.000 2.017 -3.301) 3.869 5.464 ( 0.000 2.289 6.402) 6.798 5.549 ( 0.000 1.572 8.381) 8.527 5.646 ( 0.000 -4.908 7.843) 9.252 5.720 ( 0.000 7.575 3.001) 8.147 5.823 ( 0.000 -5.068 2.533) 5.666 5.912 ( 0.000 -2.184 -4.128) 4.670 5.920 ( 0.000 -2.846 -5.093) 5.834 6.054 ( 0.000 1.341 2.379) 2.730 6.055 ( 0.000 3.526 4.873) 6.015 6.270 ( 0.000 -2.220 -11.066) 11.286 6.317 ( 0.000 6.949 -4.903) 8.505 6.498 ( 0.000 -5.553 6.619) 8.640 6.571 ( 0.000 -7.179 0.041) 7.179 6.661 ( 0.000 1.751 -5.748) 6.009 6.717 ( 0.000 -2.507 -3.715) 4.482 6.746 ( 0.000 -0.151 -0.749) 0.764 6.767 ( 0.000 2.520 -1.721) 3.051 6.829 ( 0.000 2.124 0.123) 2.127 6.970 ( 0.000 -2.852 2.651) 3.894 7.013 ( 0.000 2.450 -3.451) 4.232 7.089 ( 0.000 -6.585 0.067) 6.585 7.207 ( 0.000 -1.562 -5.283) 5.509 7.253 ( 0.000 2.435 -2.505) 3.494 7.317 ( 0.000 -0.787 -2.536) 2.656 7.400 ( 0.000 3.087 -0.486) 3.125 7.459 ( 0.000 -0.785 5.143) 5.202 7.506 ( 0.000 -0.991 2.086) 2.309 7.751 ( 0.000 -5.149 0.762) 5.205 7.871 ( 0.000 -1.751 11.378) 11.512 8.006 ( 0.000 1.772 -6.739) 6.968 8.062 ( 0.000 6.933 -2.722) 7.448 8.193 ( 0.000 -1.001 7.024) 7.095 8.420 ( 0.000 1.927 -5.395) 5.729 8.440 ( 0.000 3.320 2.495) 4.153 8.498 ( 0.000 -4.907 -1.438) 5.114 8.597 ( 0.000 -4.594 -7.244) 8.578 8.635 ( 0.000 -0.351 0.698) 0.782 8.687 ( 0.000 -0.751 -4.365) 4.429 9.314 ( 0.000 -2.069 -1.125) 2.355 9.474 ( 0.000 -7.641 -4.654) 8.947 9.524 ( 0.000 2.218 0.402) 2.254 9.642 ( 0.000 -0.200 -1.968) 1.978 9.642 ( 0.000 7.982 6.960) 10.591 9.716 ( 0.000 0.449 2.011) 2.061 9.825 ( 0.000 -2.546 2.235) 3.388 9.848 ( 0.000 0.528 9.146) 9.161 9.959 ( 0.000 3.131 2.269) 3.867 9.982 ( 0.000 4.383 -2.483) 5.038 10.180 ( 0.000 0.723 2.987) 3.073 10.243 ( 0.000 2.937 -1.118) 3.142 10.261 ( 0.000 -0.784 -0.034) 0.785 10.313 ( 0.000 0.752 -2.237) 2.360 10.437 ( 0.000 -2.835 3.994) 4.898 10.554 ( 0.000 -7.774 3.077) 8.361 11.229 ( 0.000 4.728 2.225) 5.225 11.555 ( 0.000 -1.885 -1.568) 2.452 11.624 ( 0.000 -0.619 -0.486) 0.787 11.663 ( 0.000 -0.784 -3.611) 3.695 11.680 ( 0.000 1.616 1.866) 2.469 11.775 ( 0.000 -0.906 4.310) 4.405 11.931 ( 0.000 15.397 -13.192) 20.275 12.355 ( 0.000 -2.783 -7.781) 8.264 14.176 ( 0.000 0.272 -1.559) 1.582 14.220 ( 0.000 -0.438 -3.090) 3.121 14.349 ( 0.000 -1.597 3.065) 3.456 14.372 ( 0.000 -1.491 2.475) 2.890 15.252 ( 0.000 5.275 -2.193) 5.713 15.378 ( 0.000 -1.628 2.957) 3.375 15.401 ( 0.000 5.064 2.691) 5.735 15.515 ( 0.000 2.560 -5.155) 5.755 15.546 ( 0.000 1.443 -1.640) 2.184 15.602 ( 0.000 -0.627 -1.981) 2.078 15.672 ( 0.000 1.811 -2.799) 3.334 15.817 ( 0.000 -1.294 -5.598) 5.745 15.860 ( 0.000 0.407 5.454) 5.469 16.105 ( 0.000 -6.912 1.894) 7.166 16.113 ( 0.000 0.617 5.510) 5.545 16.137 ( 0.000 2.891 3.289) 4.379 16.239 ( 0.000 -5.788 2.713) 6.392 16.441 ( 0.000 -0.521 -0.537) 0.748 16.542 ( 0.000 0.651 -0.787) 1.021 16.592 ( 0.000 0.602 -0.403) 0.724 17.104 ( 0.000 1.044 4.868) 4.979 17.208 ( 0.000 -1.075 3.468) 3.630 17.553 ( 0.000 3.885 4.309) 5.801 17.588 ( 0.000 5.726 -8.734) 10.444 17.815 ( 0.000 -0.391 -14.562) 14.567 17.863 ( 0.000 6.791 -2.443) 7.218 18.254 ( 0.000 -16.179 9.946) 18.992 18.340 ( 0.000 -5.074 6.504) 8.249 19.838 ( 0.000 0.253 -1.143) 1.171 19.863 ( 0.000 -0.345 -1.676) 1.711 19.943 ( 0.000 -0.192 1.190) 1.205 19.956 ( 0.000 -0.899 1.217) 1.513 21.077 ( 0.000 3.157 1.319) 3.422 21.166 ( 0.000 0.126 -0.799) 0.809 21.220 ( 0.000 0.798 2.962) 3.067 21.501 ( 0.000 -6.997 -0.973) 7.064 22.476 ( 0.000 2.195 -0.599) 2.275 22.485 ( 0.000 0.572 -0.258) 0.628 22.549 ( 0.000 -1.104 1.672) 2.003 22.635 ( 0.000 -1.843 -0.373) 1.880 23.553 ( 0.000 0.345 -0.128) 0.368 23.573 ( 0.000 0.932 -1.721) 1.957 23.651 ( 0.000 0.766 -0.199) 0.792 23.684 ( 0.000 -0.115 -0.883) 0.890 26.298 ( 0.000 0.385 0.455) 0.597 26.324 ( 0.000 -0.043 -0.057) 0.072 26.943 ( 0.000 -3.654 3.933) 5.369 26.978 ( 0.000 -1.608 0.359) 1.647 28.230 ( 0.000 1.537 2.229) 2.708 28.344 ( 0.000 1.190 -0.573) 1.321 28.471 ( 0.000 -1.474 1.749) 2.288 28.499 ( 0.000 -10.427 7.694) 12.958 31.312 ( 0.000 -0.326 0.325) 0.460 31.328 ( 0.000 -0.025 -0.328) 0.329 31.364 ( 0.000 0.037 1.476) 1.477 31.399 ( 0.000 -0.750 0.402) 0.851 34.206 ( 0.000 0.936 0.782) 1.219 34.313 ( 0.000 -5.368 3.635) 6.483 34.461 ( 0.000 -1.686 6.705) 6.914 34.466 ( 0.000 -0.668 7.558) 7.587 34.864 ( 0.000 -9.412 9.819) 13.601 35.040 ( 0.000 -6.750 -6.962) 9.697 35.082 ( 0.000 2.038 -0.947) 2.247 35.175 ( 0.000 2.057 1.191) 2.377 35.252 ( 0.000 0.348 -1.407) 1.449 35.259 ( 0.000 -1.040 -1.812) 2.090 35.366 ( 0.000 -6.598 6.083) 8.974 35.463 ( 0.000 -5.962 4.119) 7.246 36.513 ( 0.000 13.748 2.707) 14.012 37.242 ( 0.000 7.864 -11.167) 13.658 37.313 ( 0.000 16.311 -16.368) 23.107 37.751 ( 0.000 -1.060 -6.947) 7.028 47.678 ( 0.000 4.585 -5.113) 6.868 47.684 ( 0.000 1.143 -1.595) 1.962 47.744 ( 0.000 1.744 0.851) 1.940 47.878 ( 0.000 -3.261 -1.185) 3.470 48.127 ( 0.000 2.247 0.209) 2.256 48.237 ( 0.000 0.962 -3.410) 3.543 48.439 ( 0.000 1.986 4.874) 5.264 48.669 ( 0.000 -3.835 -0.315) 3.848 97.879 ( 0.000 0.945 0.610) 1.125 97.894 ( 0.000 0.948 0.953) 1.344 98.497 ( 0.000 5.186 -2.537) 5.773 98.557 ( 0.000 16.364 -16.836) 23.478 99.536 ( 0.000 0.991 3.364) 3.507 99.807 ( 0.000 -3.878 2.896) 4.840 99.881 ( 0.000 -2.567 -4.691) 5.348 99.904 ( 0.000 -9.288 7.227) 11.769 104.738 ( 0.000 0.893 1.869) 2.071 104.803 ( 0.000 0.276 0.268) 0.385 104.941 ( 0.000 1.052 0.303) 1.095 104.977 ( 0.000 -0.608 -0.457) 0.760 105.097 ( 0.000 0.649 0.279) 0.707 105.146 ( 0.000 -1.518 -2.128) 2.614 105.390 ( 0.000 -2.587 5.129) 5.744 105.458 ( 0.000 -16.379 13.727) 21.371 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 15.542 12.982 12.510) 23.803 1.090 ( 13.951 23.002 14.333) 30.482 1.550 ( 33.734 14.019 18.158) 40.795 2.009 ( 0.394 0.408 -8.257) 8.276 2.119 ( 2.272 -12.315 -9.660) 15.815 2.229 ( 14.177 -8.236 -4.361) 16.965 2.321 ( 2.059 2.856 -2.473) 4.303 2.468 ( 5.917 6.274 -0.378) 8.632 2.574 ( 15.344 -0.561 -3.629) 15.778 2.658 ( 4.140 2.240 -2.385) 5.277 2.717 ( 5.222 -3.716 0.044) 6.409 2.795 ( 7.287 -4.053 -4.854) 9.649 2.850 ( 7.151 2.187 -3.658) 8.324 2.920 ( 6.234 0.790 -4.246) 7.583 3.106 ( 4.136 4.237 -1.879) 6.212 3.226 ( 3.542 3.599 2.520) 5.643 3.407 ( -1.384 -5.753 -4.077) 7.186 3.449 ( 8.602 3.476 0.285) 9.282 3.514 ( 3.085 -1.556 -1.371) 3.717 3.548 ( 1.792 1.377 0.573) 2.331 3.616 ( 9.155 5.352 -1.674) 10.736 3.769 ( 9.472 -0.983 -2.025) 9.736 3.850 ( 1.660 8.737 3.669) 9.621 3.908 ( 1.249 6.007 3.507) 7.067 4.035 ( 0.365 6.479 1.341) 6.627 4.074 ( 0.792 -8.495 -4.512) 9.652 4.151 ( 6.153 -9.441 -0.971) 11.311 4.371 ( 3.083 -2.181 -0.473) 3.806 4.521 ( -3.686 -4.920 -1.309) 6.285 4.574 ( 1.996 0.048 1.250) 2.356 4.608 ( -1.488 -3.386 -6.150) 7.176 4.844 ( -2.782 -6.552 -1.262) 7.229 5.282 ( -1.077 1.198 -0.700) 1.757 5.344 ( 2.618 2.431 2.033) 4.110 5.399 ( -4.093 2.261 3.600) 5.902 5.510 ( -3.077 -0.895 7.080) 7.771 5.570 ( -3.374 3.162 7.585) 8.883 5.692 ( -7.796 1.490 1.041) 8.005 5.776 ( -5.182 -2.021 2.428) 6.069 5.814 ( -4.456 -1.786 -1.287) 4.970 5.896 ( -4.220 -0.984 -5.973) 7.380 5.949 ( -2.790 -0.977 3.684) 4.724 6.111 ( -1.549 -0.688 0.872) 1.906 6.206 ( -5.248 2.997 -4.215) 7.368 6.286 ( -3.288 1.222 -4.589) 5.777 6.438 ( -5.896 -7.412 2.079) 9.697 6.508 ( -6.736 -3.762 -0.110) 7.716 6.573 ( -7.356 0.694 -5.591) 9.266 6.669 ( -2.147 -3.794 3.422) 5.542 6.703 ( -1.739 2.016 2.418) 3.597 6.724 ( -2.739 3.443 -2.847) 5.240 6.828 ( -2.739 1.438 4.974) 5.858 6.910 ( -4.854 -0.508 -0.416) 4.898 6.977 ( -4.803 -1.423 -1.174) 5.145 7.056 ( -1.577 -0.859 0.015) 1.796 7.197 ( -1.131 -0.305 -2.078) 2.386 7.220 ( -1.286 -0.523 -5.669) 5.836 7.309 ( -1.071 -1.369 -1.182) 2.102 7.390 ( -2.494 1.932 -0.507) 3.195 7.450 ( 0.246 0.021 -0.005) 0.247 7.516 ( 1.392 -0.375 4.683) 4.900 7.683 ( -9.461 5.657 8.074) 13.664 7.759 ( -0.253 -7.239 0.672) 7.275 7.926 ( -7.390 -0.923 -6.139) 9.652 8.071 ( 1.171 8.478 -2.056) 8.802 8.205 ( 1.205 2.370 4.746) 5.440 8.386 ( -2.737 2.712 -2.402) 4.541 8.406 ( -1.184 0.389 0.363) 1.298 8.500 ( 0.681 3.228 1.098) 3.476 8.533 ( -1.791 -3.120 -2.959) 4.658 8.668 ( 1.479 -1.523 -0.340) 2.150 8.694 ( 0.800 0.327 -2.397) 2.548 9.296 ( -1.323 -2.337 -1.519) 3.086 9.437 ( -3.124 -6.497 -3.426) 7.981 9.451 ( -3.787 2.537 4.628) 6.496 9.578 ( -1.516 3.829 0.904) 4.216 9.670 ( 1.008 -0.412 0.556) 1.223 9.696 ( -2.040 0.518 0.454) 2.154 9.734 ( -3.535 -2.072 3.125) 5.153 9.790 ( -4.703 1.334 7.291) 8.779 9.917 ( -0.916 3.852 2.338) 4.598 10.046 ( 3.593 2.077 -2.179) 4.688 10.173 ( -1.024 1.420 2.691) 3.211 10.268 ( -1.499 -1.408 -0.354) 2.087 10.316 ( -5.258 -0.924 0.447) 5.357 10.371 ( -0.317 0.303 -1.644) 1.701 10.501 ( 7.964 0.319 4.061) 8.945 10.921 ( 21.455 -16.635 -9.920) 28.904 11.233 ( 0.388 5.186 2.378) 5.718 11.485 ( -8.844 5.338 -1.011) 10.380 11.617 ( 0.720 -2.878 1.272) 3.228 11.671 ( 0.193 -0.879 -1.732) 1.952 11.734 ( 7.338 -2.179 -0.388) 7.665 11.790 ( 1.929 -1.907 3.776) 4.649 11.981 ( 2.287 7.094 -10.404) 12.798 12.292 ( -4.923 -3.001 -10.338) 11.837 14.242 ( 5.983 0.506 -1.606) 6.215 14.293 ( 5.936 -0.368 -2.711) 6.537 14.397 ( 4.395 -0.941 3.043) 5.428 14.465 ( 7.148 -3.503 0.152) 7.961 15.252 ( -0.083 5.896 -1.597) 6.109 15.367 ( -1.056 1.480 2.904) 3.426 15.395 ( -0.648 2.391 2.564) 3.565 15.494 ( -3.450 0.506 -0.498) 3.523 15.528 ( -0.091 2.534 -5.477) 6.035 15.554 ( -4.057 -0.161 -1.425) 4.303 15.625 ( -4.212 2.313 -1.136) 4.938 15.816 ( -0.237 -1.545 -5.507) 5.725 15.890 ( 2.529 0.495 5.119) 5.731 16.014 ( -4.982 -2.688 10.816) 12.208 16.103 ( -1.117 1.566 5.241) 5.583 16.161 ( 1.526 -0.795 1.702) 2.420 16.218 ( -2.409 2.282 5.196) 6.166 16.301 ( -4.074 -0.997 -1.646) 4.506 16.417 ( -3.947 3.786 -2.157) 5.880 16.702 ( 0.216 -7.022 -4.949) 8.594 17.195 ( 7.243 -0.395 3.648) 8.119 17.209 ( 0.580 -0.513 3.607) 3.689 17.523 ( -1.175 3.797 0.277) 3.984 17.631 ( 2.459 6.775 -3.716) 8.109 17.789 ( -1.933 1.055 -3.948) 4.520 17.881 ( -0.322 1.900 -3.195) 3.731 18.179 ( -4.008 -6.281 1.084) 7.530 18.383 ( -1.750 -10.080 -3.229) 10.728 19.847 ( 0.469 -0.131 -0.657) 0.818 19.865 ( 0.449 -0.459 -1.252) 1.407 19.946 ( 0.014 -0.406 1.551) 1.603 19.955 ( -0.236 -0.837 1.508) 1.740 21.138 ( 5.617 2.326 0.933) 6.151 21.189 ( 2.283 0.095 -0.436) 2.326 21.264 ( 4.377 1.554 2.961) 5.508 21.553 ( 6.282 -4.239 -2.799) 8.078 22.313 ( -9.535 1.165 2.432) 9.910 22.449 ( -5.743 -2.929 3.916) 7.543 22.534 ( -1.221 2.725 -1.996) 3.591 22.777 ( 4.895 -3.997 -4.562) 7.794 23.689 ( 12.903 0.733 0.140) 12.925 23.713 ( 13.784 0.284 -0.433) 13.793 23.881 ( 21.257 0.702 0.104) 21.269 24.085 ( 28.744 -7.268 -10.424) 31.428 26.216 ( -7.869 0.424 0.492) 7.896 26.244 ( -7.559 -0.133 -0.093) 7.561 26.823 ( -10.224 -1.081 3.679) 10.919 26.881 ( -8.965 -1.417 0.154) 9.078 28.269 ( 3.490 1.691 2.148) 4.433 28.368 ( 2.765 1.499 -0.552) 3.193 28.464 ( 4.714 -2.019 5.093) 7.228 28.775 ( 14.263 -15.310 -4.411) 21.384 31.306 ( -0.544 0.052 0.301) 0.624 31.324 ( -0.448 -0.144 -0.246) 0.531 31.357 ( -0.613 -0.021 1.476) 1.598 31.394 ( -0.522 -0.811 0.357) 1.028 34.175 ( -2.849 0.767 1.077) 3.141 34.246 ( -5.139 -2.602 3.845) 6.926 34.354 ( -6.192 -0.249 4.549) 7.688 34.444 ( -5.767 -3.344 8.758) 11.007 34.853 ( 2.411 -1.342 2.892) 3.998 35.069 ( 1.440 -0.059 -2.780) 3.131 35.118 ( 2.862 -1.205 -0.649) 3.173 35.163 ( 0.392 3.474 0.775) 3.581 35.234 ( 0.146 -1.794 2.627) 3.184 35.338 ( 5.722 -1.125 -1.278) 5.970 35.389 ( 3.983 -0.673 2.873) 4.957 35.585 ( 6.208 -14.717 0.165) 15.974 36.496 ( -1.463 12.752 2.257) 13.032 37.007 ( -18.240 30.578 -15.440) 38.809 37.227 ( -4.661 -5.612 3.783) 8.218 37.662 ( -8.169 -2.140 -6.282) 10.525 47.656 ( -1.125 4.413 -2.558) 5.223 47.689 ( 0.439 0.986 -1.501) 1.849 47.738 ( -0.276 1.241 2.000) 2.370 47.871 ( -0.663 -3.033 -1.114) 3.299 48.138 ( 1.262 1.631 0.360) 2.094 48.236 ( -0.193 0.773 -3.069) 3.170 48.420 ( -1.746 1.918 4.551) 5.238 48.628 ( -3.210 -2.666 -0.254) 4.181 97.891 ( 1.177 0.852 0.502) 1.537 97.899 ( 0.598 0.977 0.798) 1.396 98.448 ( -6.344 9.861 -5.471) 12.939 98.462 ( -5.344 8.508 -4.967) 11.207 99.530 ( -0.537 1.066 3.143) 3.362 99.698 ( -9.650 -0.536 8.689) 12.996 99.788 ( -1.881 -3.936 2.292) 4.928 99.895 ( -2.410 -4.486 -2.602) 5.719 104.741 ( 0.308 0.874 1.705) 1.941 104.804 ( 0.184 0.018 0.312) 0.363 104.930 ( -1.045 1.119 0.391) 1.580 104.972 ( -0.507 -0.469 -0.629) 0.934 105.098 ( 0.064 0.614 0.392) 0.731 105.134 ( -1.271 -0.477 -0.545) 1.463 105.251 ( -7.064 -2.312 10.735) 13.057 105.438 ( -2.815 -6.591 3.833) 8.128 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 20.041 7.730 3.889) 21.829 1.387 ( 15.273 18.938 7.675) 25.511 2.023 ( 1.690 10.047 -9.074) 13.643 2.228 ( 8.073 -11.326 -8.227) 16.160 2.294 ( 24.356 2.735 7.163) 25.534 2.339 ( 7.996 -2.070 4.742) 9.524 2.551 ( 10.690 -3.518 -5.301) 12.439 2.618 ( 7.418 5.711 0.087) 9.362 2.743 ( 2.406 -1.223 -2.432) 3.633 2.798 ( 6.031 -0.676 -1.395) 6.227 2.935 ( 14.398 -1.299 -7.523) 16.297 2.959 ( 6.418 1.565 0.012) 6.606 3.077 ( 10.404 -2.465 -6.842) 12.694 3.083 ( 13.470 -3.444 -4.581) 14.638 3.272 ( 8.369 1.518 -4.789) 9.761 3.344 ( 8.359 4.017 -0.730) 9.302 3.391 ( 3.967 -1.229 -3.198) 5.242 3.541 ( 2.027 0.922 -1.245) 2.551 3.605 ( 3.131 1.653 0.507) 3.576 3.677 ( 9.708 3.648 -0.966) 10.416 3.845 ( 7.697 2.583 4.077) 9.085 3.868 ( 1.946 7.102 2.884) 7.908 3.918 ( 4.808 3.047 -1.659) 5.929 3.968 ( 2.453 -4.720 0.374) 5.332 4.125 ( 7.578 5.543 3.441) 10.000 4.212 ( 13.183 -4.465 -2.945) 14.227 4.321 ( 11.158 -3.883 -1.114) 11.867 4.391 ( -2.393 0.134 2.162) 3.228 4.460 ( 1.212 -4.252 0.363) 4.436 4.559 ( -2.896 -7.414 -5.678) 9.777 4.656 ( 5.273 -0.602 -3.357) 6.280 4.784 ( -1.143 -1.962 1.487) 2.714 5.188 ( -7.666 -0.960 6.168) 9.887 5.309 ( -0.986 2.013 0.532) 2.304 5.408 ( -1.312 5.428 1.970) 5.921 5.442 ( -9.109 1.554 2.482) 9.568 5.480 ( -4.468 0.663 1.434) 4.739 5.580 ( 4.622 0.178 3.673) 5.907 5.664 ( -3.863 -2.024 -1.170) 4.516 5.708 ( -5.453 -3.266 -1.708) 6.582 5.813 ( -9.133 0.216 3.133) 9.657 5.830 ( -3.162 -1.995 -1.742) 4.124 6.015 ( -9.003 -3.552 -3.195) 10.192 6.087 ( -6.276 4.346 0.902) 7.687 6.160 ( -10.065 -4.127 1.289) 10.954 6.237 ( -8.268 -3.092 1.089) 8.895 6.355 ( -7.793 1.076 -2.253) 8.183 6.435 ( -6.200 -2.345 -0.900) 6.690 6.576 ( -5.792 -3.022 1.864) 6.793 6.671 ( -2.678 4.742 1.629) 5.684 6.704 ( -0.160 -1.225 0.895) 1.525 6.737 ( -5.074 0.406 3.755) 6.325 6.822 ( -2.678 -0.619 1.050) 2.943 6.849 ( -5.729 0.044 7.613) 9.528 6.969 ( -7.783 0.404 -6.549) 10.179 7.170 ( -0.807 3.228 -3.198) 4.615 7.207 ( -0.961 -1.256 -1.145) 1.953 7.293 ( -0.689 -5.245 -1.112) 5.405 7.327 ( -1.181 -0.697 -3.402) 3.668 7.477 ( -0.511 0.014 0.681) 0.852 7.547 ( 0.273 1.007 0.030) 1.044 7.573 ( 0.510 3.870 1.392) 4.144 7.713 ( -4.520 -9.246 0.640) 10.312 7.779 ( -5.268 -0.914 -7.056) 8.853 8.116 ( 2.871 10.600 0.184) 10.983 8.232 ( 1.219 5.974 3.557) 7.059 8.354 ( -0.617 1.217 -0.341) 1.407 8.380 ( -1.380 -0.159 0.346) 1.432 8.495 ( -2.281 -2.974 -3.605) 5.201 8.516 ( 0.116 6.019 2.479) 6.511 8.668 ( -1.248 -1.492 -2.234) 2.962 8.706 ( -0.348 1.760 -2.787) 3.314 9.274 ( -0.592 -3.528 -2.506) 4.368 9.370 ( -2.593 -6.192 -2.443) 7.144 9.391 ( -1.800 1.929 3.696) 4.541 9.557 ( -1.867 -0.422 2.494) 3.143 9.615 ( -3.028 1.195 4.571) 5.612 9.640 ( -4.905 -1.459 2.190) 5.567 9.665 ( -2.461 -0.741 1.089) 2.791 9.754 ( 0.293 -0.295 0.670) 0.789 9.927 ( 1.826 4.070 2.229) 4.986 10.114 ( 2.524 1.321 -1.931) 3.442 10.152 ( -0.647 1.751 1.217) 2.229 10.179 ( -4.008 -1.651 -0.173) 4.339 10.245 ( -2.281 0.156 0.322) 2.309 10.271 ( -5.069 -0.966 -0.762) 5.216 10.718 ( 6.289 1.002 3.604) 7.317 11.035 ( -8.295 -7.028 -3.227) 11.341 11.241 ( 0.477 5.960 3.010) 6.694 11.304 ( -5.166 6.365 4.616) 9.408 11.655 ( 1.675 -3.221 -2.019) 4.154 11.701 ( 2.652 -1.231 -3.312) 4.418 11.835 ( 1.644 -1.942 -1.177) 2.804 11.885 ( 2.785 0.485 -4.130) 5.005 11.957 ( -0.088 -2.283 1.234) 2.596 12.237 ( 0.009 -6.265 -9.118) 11.063 14.395 ( 7.822 0.614 -1.311) 7.955 14.435 ( 7.063 0.032 -1.514) 7.223 14.509 ( 5.820 -0.793 2.069) 6.228 14.609 ( 6.007 -3.756 -0.959) 7.149 15.246 ( -0.469 6.350 0.416) 6.381 15.333 ( -2.099 4.588 3.600) 6.198 15.369 ( -1.961 -0.302 1.035) 2.238 15.410 ( -3.963 0.366 0.258) 3.988 15.436 ( -5.152 0.521 1.241) 5.325 15.519 ( -5.041 2.722 -0.214) 5.733 15.566 ( 2.152 1.521 -6.525) 7.037 15.803 ( -1.102 -1.842 -6.149) 6.513 15.956 ( 3.869 -0.153 4.452) 5.900 16.000 ( 2.857 -0.487 6.617) 7.224 16.083 ( -0.353 1.238 4.110) 4.307 16.153 ( -0.788 1.701 4.265) 4.658 16.236 ( -0.563 0.937 -0.388) 1.160 16.242 ( 1.235 -1.241 0.076) 1.753 16.379 ( -0.547 0.857 -1.526) 1.833 16.643 ( -4.945 -5.825 -5.261) 9.277 17.242 ( 2.775 0.686 3.459) 4.487 17.358 ( 7.681 -2.673 2.784) 8.596 17.503 ( -0.923 3.605 0.163) 3.724 17.665 ( 0.566 6.511 -3.190) 7.272 17.735 ( -3.200 2.197 -1.501) 4.161 17.846 ( -2.487 -0.583 1.039) 2.757 18.094 ( -4.288 -4.125 -3.281) 6.794 18.256 ( -8.786 -6.550 -7.502) 13.280 19.855 ( 0.532 0.058 0.150) 0.556 19.879 ( 0.625 -0.509 -0.711) 1.074 19.937 ( -0.821 -0.464 2.016) 2.226 19.946 ( -0.594 -0.643 1.485) 1.724 21.267 ( 5.231 0.322 0.455) 5.261 21.294 ( 9.022 -0.484 1.057) 9.097 21.415 ( 10.115 4.375 1.426) 11.112 21.748 ( 11.102 -3.470 -6.846) 13.497 22.095 ( -11.084 1.838 4.144) 11.975 22.313 ( -7.067 -4.092 5.967) 10.114 22.447 ( -6.740 4.369 -1.754) 8.221 22.788 ( -3.176 -4.266 -4.679) 7.084 24.062 ( 21.904 0.910 0.443) 21.927 24.103 ( 22.637 -0.073 -0.499) 22.642 24.455 ( 31.593 0.579 -0.013) 31.599 24.669 ( 26.727 -5.776 -7.954) 28.477 25.974 ( -15.204 0.534 0.584) 15.224 26.012 ( -14.665 -0.323 -0.247) 14.671 26.550 ( -15.739 0.386 2.271) 15.907 26.623 ( -15.481 -1.178 -0.260) 15.528 28.362 ( 5.095 2.116 1.863) 5.823 28.446 ( 4.119 2.487 -0.788) 4.876 28.607 ( 8.031 -3.153 4.194) 9.593 28.975 ( 4.841 -13.699 -5.924) 15.690 31.294 ( -0.484 0.344 0.279) 0.656 31.312 ( -0.588 -0.041 -0.055) 0.592 31.340 ( -1.015 -0.193 1.263) 1.632 31.376 ( -1.171 -0.842 0.241) 1.462 34.103 ( -3.488 0.675 1.852) 4.006 34.145 ( -4.143 0.067 1.922) 4.568 34.223 ( -5.881 -0.238 2.643) 6.451 34.298 ( -7.125 -1.660 4.370) 8.522 34.948 ( 5.405 0.369 0.976) 5.505 35.098 ( 1.252 2.131 -1.240) 2.766 35.179 ( 3.106 2.847 0.162) 4.217 35.202 ( 2.882 5.909 0.522) 6.595 35.274 ( 3.173 -5.526 3.418) 7.231 35.451 ( 5.043 -1.682 -0.100) 5.317 35.518 ( 7.015 -1.453 -0.422) 7.176 35.660 ( 1.284 -12.575 -1.646) 12.747 36.466 ( -0.985 10.026 1.259) 10.152 36.692 ( -11.210 21.978 -4.843) 25.143 37.106 ( -6.565 -5.881 2.953) 9.296 37.439 ( -12.434 -4.101 -4.734) 13.922 47.652 ( 0.644 2.722 -0.476) 2.837 47.703 ( 0.894 0.576 -1.155) 1.571 47.734 ( -0.143 0.910 1.873) 2.087 47.851 ( -1.306 -2.431 -0.947) 2.917 48.182 ( 2.793 0.730 0.046) 2.888 48.233 ( 0.072 0.610 -1.969) 2.062 48.372 ( -2.676 1.737 3.680) 4.871 48.550 ( -4.233 -1.956 -0.799) 4.731 97.922 ( 1.782 1.015 0.580) 2.131 97.930 ( 2.518 0.622 0.194) 2.600 98.293 ( -6.995 7.943 -1.331) 10.667 98.351 ( -6.029 3.170 -1.579) 6.993 99.515 ( -0.768 1.258 2.662) 3.042 99.561 ( -3.915 1.606 5.670) 7.075 99.745 ( -1.924 -3.445 0.900) 4.047 99.830 ( -3.435 -4.230 -2.685) 6.075 104.752 ( 0.805 0.883 1.354) 1.805 104.814 ( 0.805 -0.257 0.021) 0.845 104.900 ( -1.770 1.149 0.672) 2.214 104.955 ( -1.147 -0.220 -0.862) 1.452 105.095 ( -1.228 -0.015 4.110) 4.290 105.100 ( -0.500 2.223 0.364) 2.308 105.175 ( -1.152 -1.597 2.190) 2.945 105.360 ( -4.226 -3.812 0.598) 5.723 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 12.468 15.241 2.961) 19.913 1.740 ( 15.126 1.692 -2.006) 15.352 2.074 ( 4.067 15.151 -4.505) 16.322 2.369 ( 3.451 -7.288 -1.119) 8.141 2.410 ( 6.563 -9.374 -5.522) 12.706 2.624 ( -1.389 2.266 -0.326) 2.678 2.649 ( 0.330 -1.993 -6.332) 6.646 2.740 ( -1.712 -2.583 -1.083) 3.283 2.750 ( 7.527 3.576 0.536) 8.351 2.942 ( 3.901 1.287 -0.802) 4.186 3.047 ( 5.524 1.825 0.301) 5.826 3.158 ( 7.513 0.474 -10.358) 12.804 3.256 ( 3.213 -3.456 -9.795) 10.872 3.372 ( 6.381 -2.250 -6.521) 9.397 3.441 ( 13.850 -1.739 -2.801) 14.237 3.532 ( 1.906 5.196 0.763) 5.587 3.574 ( 1.971 4.981 -0.248) 5.363 3.595 ( 13.830 -0.650 -1.527) 13.929 3.706 ( 9.183 3.987 1.717) 10.158 3.819 ( 5.114 -0.903 -1.638) 5.445 3.897 ( 0.856 -3.454 1.913) 4.040 3.951 ( 1.946 -2.478 -0.639) 3.214 3.999 ( 4.412 1.642 3.285) 5.741 4.082 ( 6.059 7.091 -1.011) 9.381 4.179 ( -2.910 0.600 -0.371) 2.995 4.286 ( 2.121 1.321 1.545) 2.938 4.416 ( -5.193 -6.340 2.939) 8.706 4.488 ( -2.469 -2.967 5.201) 6.476 4.658 ( 18.029 -2.285 1.408) 18.228 4.702 ( 22.355 -1.264 -0.254) 22.392 4.814 ( 11.459 -0.058 -5.392) 12.665 4.873 ( 8.896 0.808 -1.517) 9.060 5.044 ( -4.589 0.715 5.424) 7.140 5.237 ( -7.162 1.246 0.457) 7.284 5.306 ( -0.664 1.079 2.185) 2.526 5.361 ( -3.044 0.125 2.659) 4.044 5.399 ( -4.432 3.891 0.294) 5.905 5.530 ( -11.909 -0.741 3.292) 12.378 5.579 ( -2.985 -3.163 -2.004) 4.789 5.601 ( -8.938 -1.100 -1.097) 9.072 5.707 ( -11.015 -1.653 -0.858) 11.172 5.731 ( -3.480 -2.840 1.351) 4.691 5.766 ( -10.717 -4.850 0.324) 11.768 5.896 ( -6.168 0.984 -4.572) 7.740 6.028 ( 3.071 3.996 2.943) 5.836 6.163 ( -1.742 -3.973 1.361) 4.547 6.242 ( -1.563 -0.850 2.742) 3.268 6.315 ( -3.769 0.419 0.824) 3.881 6.433 ( -8.170 -3.022 1.195) 8.793 6.630 ( -0.338 1.190 -0.410) 1.304 6.667 ( -2.260 1.549 -0.310) 2.757 6.673 ( -4.588 2.623 6.153) 8.111 6.696 ( -5.155 2.347 3.099) 6.456 6.747 ( -8.526 1.679 -7.903) 11.746 6.871 ( 2.618 -6.076 3.419) 7.447 7.125 ( -5.312 -6.479 -2.233) 8.670 7.209 ( 0.435 2.866 -1.463) 3.247 7.256 ( -2.072 -1.257 -1.333) 2.766 7.302 ( 0.306 -5.194 3.036) 6.024 7.465 ( -0.919 -2.341 -2.607) 3.623 7.564 ( -1.390 1.945 0.421) 2.428 7.589 ( 2.109 2.910 -4.671) 5.894 7.655 ( 0.501 -3.984 1.098) 4.163 7.707 ( -2.134 -2.289 -5.950) 6.723 8.171 ( 2.101 10.318 1.100) 10.588 8.244 ( -0.518 7.495 2.761) 8.004 8.354 ( -0.185 -0.839 -3.259) 3.370 8.365 ( 1.302 2.153 3.071) 3.970 8.433 ( -3.051 -2.818 -3.264) 5.282 8.493 ( -2.337 5.099 2.094) 5.987 8.636 ( -1.241 1.413 -2.677) 3.271 8.674 ( -2.344 2.736 -3.175) 4.802 9.272 ( 0.553 -3.418 -1.130) 3.642 9.337 ( -1.200 -5.748 -0.562) 5.899 9.394 ( 1.951 -2.201 1.689) 3.392 9.482 ( -3.544 -4.011 4.141) 6.767 9.557 ( -2.820 -0.874 1.754) 3.434 9.586 ( -1.215 2.539 2.521) 3.779 9.627 ( -0.688 -0.002 -1.463) 1.617 9.723 ( -3.304 -0.318 0.873) 3.433 9.990 ( 4.164 4.000 1.064) 5.871 10.123 ( -1.033 1.438 -0.779) 1.934 10.158 ( 1.026 1.517 -0.028) 1.832 10.186 ( 1.324 -0.206 -0.059) 1.341 10.222 ( 1.984 0.772 1.135) 2.413 10.227 ( 3.249 -1.319 0.198) 3.512 10.646 ( -11.933 -0.982 1.817) 12.110 10.759 ( -15.131 -3.470 -0.272) 15.526 11.253 ( 0.272 6.371 3.110) 7.095 11.260 ( -0.741 7.649 3.629) 8.498 11.683 ( 1.418 -2.890 -2.664) 4.179 11.728 ( 0.839 -3.226 -0.727) 3.411 11.850 ( -0.420 2.872 -4.329) 5.212 11.880 ( 1.044 0.633 0.715) 1.415 12.068 ( 6.260 -5.826 0.561) 8.570 12.235 ( -1.053 -8.046 -3.302) 8.761 14.537 ( 5.199 0.592 -0.556) 5.262 14.558 ( 4.165 0.562 -0.049) 4.203 14.627 ( 5.282 -1.346 -0.098) 5.451 14.701 ( 2.574 -2.900 -1.103) 4.032 15.238 ( -0.120 5.071 2.225) 5.539 15.286 ( -2.286 4.305 3.449) 5.971 15.314 ( -2.584 -0.158 0.257) 2.601 15.330 ( -3.320 0.422 0.656) 3.410 15.374 ( -1.152 1.654 0.583) 2.098 15.424 ( -3.664 3.400 0.125) 5.000 15.625 ( 3.347 0.528 -6.373) 7.218 15.764 ( -2.620 -1.401 -6.613) 7.250 16.046 ( 3.895 -0.500 2.181) 4.492 16.059 ( 1.758 -3.039 3.253) 4.787 16.091 ( 0.551 0.344 3.692) 3.749 16.181 ( 3.366 2.489 2.033) 4.654 16.201 ( -0.206 0.145 0.850) 0.887 16.307 ( 3.212 -0.297 0.001) 3.225 16.369 ( -0.748 0.186 -0.965) 1.235 16.517 ( -6.930 -2.761 -4.106) 8.515 17.320 ( 4.545 1.813 2.482) 5.487 17.473 ( -1.156 2.876 0.310) 3.116 17.512 ( 5.840 -2.748 2.314) 6.857 17.653 ( -2.280 2.338 -1.308) 3.518 17.671 ( -1.339 5.236 -1.860) 5.716 17.788 ( -3.197 -1.336 1.571) 3.804 18.008 ( -3.478 -3.977 -2.919) 6.036 18.077 ( -7.324 -4.571 -6.742) 10.954 19.870 ( 0.809 0.130 0.433) 0.927 19.888 ( 0.169 -0.143 -0.040) 0.225 19.919 ( -0.748 -0.455 1.695) 1.908 19.930 ( -0.875 -0.594 1.304) 1.679 21.407 ( 8.166 0.878 1.624) 8.372 21.508 ( 11.283 -2.577 1.433) 11.662 21.656 ( 10.957 5.091 -1.738) 12.206 21.871 ( -8.632 3.026 4.986) 10.418 21.909 ( -0.401 -2.737 -6.346) 6.923 22.199 ( -4.625 0.473 -1.042) 4.764 22.296 ( -2.887 0.169 4.464) 5.319 22.664 ( -8.474 -4.547 -3.918) 10.385 24.566 ( 25.717 0.938 0.632) 25.742 24.618 ( 26.068 -0.336 -0.564) 26.077 25.122 ( 31.200 0.031 -0.387) 31.202 25.210 ( 25.428 -2.247 -3.262) 25.735 25.591 ( -21.257 0.703 0.692) 21.280 25.640 ( -20.801 -0.454 -0.413) 20.810 26.174 ( -20.251 0.516 1.143) 20.289 26.242 ( -21.148 -1.041 -0.628) 21.183 28.464 ( 4.251 2.585 1.402) 5.169 28.516 ( 2.165 3.101 -0.061) 3.782 28.775 ( 7.746 -4.715 2.258) 9.346 29.000 ( -1.842 -9.564 -3.158) 10.238 31.288 ( 0.021 0.338 0.360) 0.494 31.306 ( 0.107 -0.093 0.060) 0.154 31.317 ( -1.117 -0.156 0.881) 1.432 31.348 ( -1.497 -0.691 0.102) 1.652 34.050 ( -1.331 0.742 1.465) 2.114 34.077 ( -2.359 0.640 1.079) 2.672 34.125 ( -3.248 -0.332 1.337) 3.528 34.168 ( -5.026 -0.897 1.677) 5.374 35.048 ( 3.852 0.425 0.828) 3.963 35.115 ( 0.266 1.876 -0.194) 1.904 35.245 ( 2.877 5.181 0.628) 5.960 35.261 ( 2.271 7.017 0.919) 7.432 35.358 ( 4.818 -5.814 0.954) 7.611 35.516 ( 0.085 -6.459 -1.695) 6.678 35.638 ( 3.995 -0.854 -0.511) 4.117 35.673 ( 0.883 -3.397 -0.339) 3.526 36.467 ( 1.088 6.699 0.290) 6.792 36.535 ( -4.225 12.431 -1.418) 13.206 36.985 ( -3.972 -5.330 1.435) 6.800 37.179 ( -11.747 -5.138 -2.970) 13.161 47.675 ( 1.307 1.546 0.195) 2.034 47.715 ( -0.208 0.820 0.410) 0.940 47.741 ( 1.239 0.019 0.083) 1.242 47.818 ( -1.824 -1.632 -0.769) 2.566 48.234 ( 1.321 0.788 -0.263) 1.560 48.261 ( 3.567 -0.108 -0.641) 3.626 48.316 ( -2.588 1.412 2.445) 3.830 48.454 ( -4.833 -1.497 -1.015) 5.161 97.974 ( 3.172 1.280 0.480) 3.454 97.998 ( 4.006 0.548 -0.144) 4.046 98.161 ( -5.711 4.093 0.236) 7.030 98.220 ( -6.296 1.696 -0.932) 6.587 99.501 ( -0.543 1.488 2.294) 2.788 99.511 ( -1.351 1.810 3.086) 3.824 99.718 ( -0.579 -3.233 -0.358) 3.304 99.764 ( -2.670 -3.872 -2.044) 5.128 104.775 ( 1.396 0.981 0.996) 1.976 104.833 ( 0.475 0.259 -0.502) 0.738 104.864 ( -1.041 0.518 1.074) 1.583 104.923 ( -1.868 -0.219 -0.583) 1.969 105.079 ( -0.078 1.149 2.981) 3.196 105.094 ( -0.366 0.927 0.905) 1.346 105.174 ( 0.885 -1.474 -0.300) 1.745 105.275 ( -3.724 -2.556 -0.561) 4.552 ======================= Grid point 58 (25/45) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -3.972 10.372 -0.974) 11.149 1.847 ( 3.972 10.372 -0.974) 11.149 2.267 ( -11.835 1.890 -4.346) 12.749 2.267 ( 11.835 1.890 -4.346) 12.749 2.546 ( -5.387 -6.526 -4.081) 9.395 2.546 ( 5.387 -6.526 -4.081) 9.395 2.672 ( -3.497 -0.639 -1.421) 3.828 2.672 ( 3.497 -0.639 -1.421) 3.828 2.896 ( -5.630 2.342 1.493) 6.278 2.896 ( 5.630 2.342 1.493) 6.278 3.202 ( -4.706 0.288 -7.253) 8.651 3.202 ( 4.706 0.288 -7.253) 8.651 3.321 ( -6.481 3.375 -8.880) 11.500 3.321 ( 6.481 3.375 -8.880) 11.500 3.546 ( -1.579 1.158 1.172) 2.282 3.546 ( 1.579 1.158 1.172) 2.282 3.753 ( -8.834 -0.737 -1.513) 8.993 3.753 ( 8.834 -0.737 -1.513) 8.993 3.816 ( -4.687 -1.348 -2.756) 5.602 3.816 ( 4.687 -1.348 -2.756) 5.602 3.946 ( -2.491 -2.123 1.928) 3.798 3.946 ( 2.491 -2.123 1.928) 3.798 4.081 ( -3.752 2.327 -1.443) 4.645 4.081 ( 3.752 2.327 -1.443) 4.645 4.259 ( -7.162 -1.567 2.456) 7.732 4.259 ( 7.162 -1.567 2.456) 7.732 4.387 ( -5.235 -0.836 5.626) 7.730 4.387 ( 5.235 -0.836 5.626) 7.730 4.928 ( -4.588 2.836 1.383) 5.569 4.928 ( 4.588 2.836 1.383) 5.569 5.093 ( -4.547 1.552 -0.294) 4.814 5.093 ( 4.547 1.552 -0.294) 4.814 5.128 ( -6.374 -1.629 -0.643) 6.610 5.128 ( 6.374 -1.629 -0.643) 6.610 5.231 ( -9.334 -1.924 1.580) 9.660 5.231 ( 9.334 -1.924 1.580) 9.660 5.346 ( -9.001 -0.225 -0.251) 9.007 5.346 ( 9.001 -0.225 -0.251) 9.007 5.405 ( -3.982 2.091 4.511) 6.370 5.405 ( 3.982 2.091 4.511) 6.370 5.595 ( -2.202 -5.014 -1.728) 5.742 5.595 ( 2.202 -5.014 -1.728) 5.742 5.792 ( -5.141 -0.110 -1.655) 5.402 5.792 ( 5.141 -0.110 -1.655) 5.402 6.136 ( -2.294 -2.053 1.447) 3.401 6.136 ( 2.294 -2.053 1.447) 3.401 6.268 ( -5.978 0.130 1.468) 6.157 6.268 ( 5.978 0.130 1.468) 6.157 6.420 ( -12.316 1.889 -0.594) 12.475 6.420 ( 12.316 1.889 -0.594) 12.475 6.642 ( -0.804 0.494 -1.534) 1.801 6.642 ( 0.804 0.494 -1.534) 1.801 6.677 ( -0.757 3.231 4.135) 5.302 6.677 ( 0.757 3.231 4.135) 5.302 6.972 ( -7.081 -8.632 -1.956) 11.335 6.972 ( 7.081 -8.632 -1.956) 11.335 7.223 ( -1.349 -0.887 0.637) 1.736 7.223 ( 1.349 -0.887 0.637) 1.736 7.374 ( -5.414 -2.523 1.860) 6.256 7.374 ( 5.414 -2.523 1.860) 6.256 7.593 ( -1.821 2.774 -3.371) 4.731 7.593 ( 1.821 2.774 -3.371) 4.731 7.677 ( -1.211 -2.387 -3.473) 4.385 7.677 ( 1.211 -2.387 -3.473) 4.385 8.211 ( -2.033 8.105 1.656) 8.519 8.211 ( 2.033 8.105 1.656) 8.519 8.369 ( -1.468 -0.660 -2.187) 2.715 8.369 ( 1.468 -0.660 -2.187) 2.715 8.432 ( -3.050 2.891 1.535) 4.474 8.432 ( 3.050 2.891 1.535) 4.474 8.632 ( -1.066 3.164 -2.773) 4.341 8.632 ( 1.066 3.164 -2.773) 4.341 9.302 ( -2.054 -3.935 0.382) 4.455 9.302 ( 2.054 -3.935 0.382) 4.455 9.433 ( -1.507 -6.640 1.405) 6.953 9.433 ( 1.507 -6.640 1.405) 6.953 9.548 ( -1.799 2.217 1.296) 3.135 9.548 ( 1.799 2.217 1.296) 3.135 9.649 ( -2.804 0.328 -0.413) 2.853 9.649 ( 2.804 0.328 -0.413) 2.853 10.076 ( -3.413 3.733 0.821) 5.124 10.076 ( 3.413 3.733 0.821) 5.124 10.180 ( -0.966 1.104 0.386) 1.517 10.180 ( 0.966 1.104 0.386) 1.517 10.357 ( -9.902 -1.082 0.643) 9.981 10.357 ( 9.902 -1.082 0.643) 9.981 10.448 ( -11.960 -2.149 0.482) 12.161 10.448 ( 11.960 -2.149 0.482) 12.161 11.254 ( -0.159 7.080 2.928) 7.663 11.254 ( 0.159 7.080 2.928) 7.663 11.718 ( -1.762 -3.376 -2.419) 4.512 11.718 ( 1.762 -3.376 -2.419) 4.512 11.873 ( -1.772 1.975 0.363) 2.678 11.873 ( 1.772 1.975 0.363) 2.678 12.180 ( -4.201 -7.050 -0.883) 8.254 12.180 ( 4.201 -7.050 -0.883) 8.254 14.597 ( -0.498 0.668 0.113) 0.841 14.597 ( 0.498 0.668 0.113) 0.841 14.708 ( -2.002 -2.065 -1.082) 3.073 14.708 ( 2.002 -2.065 -1.082) 3.073 15.247 ( -1.182 3.687 2.768) 4.759 15.247 ( 1.182 3.687 2.768) 4.759 15.289 ( -0.372 0.434 0.667) 0.879 15.289 ( 0.372 0.434 0.667) 0.879 15.374 ( -1.169 3.234 0.316) 3.453 15.374 ( 1.169 3.234 0.316) 3.453 15.698 ( -3.533 -0.444 -6.479) 7.393 15.698 ( 3.533 -0.444 -6.479) 7.393 16.074 ( -0.547 -1.909 3.124) 3.701 16.074 ( 0.547 -1.909 3.124) 3.701 16.141 ( -3.231 -0.175 1.133) 3.429 16.141 ( 3.231 -0.175 1.133) 3.429 16.321 ( -5.269 -0.463 -0.423) 5.306 16.321 ( 5.269 -0.463 -0.423) 5.306 16.379 ( -4.727 0.763 -1.354) 4.976 16.379 ( 4.727 0.763 -1.354) 4.976 17.415 ( -4.061 2.718 1.260) 5.047 17.415 ( 4.061 2.718 1.260) 5.047 17.601 ( -2.316 0.546 -0.339) 2.403 17.601 ( 2.316 0.546 -0.339) 2.403 17.706 ( -4.160 0.499 0.718) 4.251 17.706 ( 4.160 0.499 0.718) 4.251 17.981 ( -1.573 -4.024 -4.143) 5.986 17.981 ( 1.573 -4.024 -4.143) 5.986 19.885 ( -0.496 0.153 0.462) 0.695 19.885 ( 0.496 0.153 0.462) 0.695 19.914 ( -0.429 -0.592 1.231) 1.431 19.914 ( 0.429 -0.592 1.231) 1.431 21.598 ( -9.617 1.347 1.955) 9.906 21.598 ( 9.617 1.347 1.955) 9.906 21.752 ( -10.972 -3.457 0.625) 11.520 21.752 ( 10.972 -3.457 0.625) 11.520 21.982 ( -12.648 7.110 -1.581) 14.595 21.982 ( 12.648 7.110 -1.581) 14.595 22.452 ( -11.201 -4.916 -1.312) 12.303 22.452 ( 11.201 -4.916 -1.312) 12.303 25.102 ( -25.123 0.830 0.697) 25.147 25.102 ( 25.123 0.830 0.697) 25.147 25.157 ( -25.017 -0.498 -0.552) 25.028 25.157 ( 25.017 -0.498 -0.552) 25.028 25.699 ( -14.562 0.233 -0.999) 14.598 25.699 ( 14.562 0.233 -0.999) 14.598 25.756 ( -16.216 -1.089 -0.069) 16.253 25.756 ( 16.216 -1.089 -0.069) 16.253 28.525 ( -1.365 3.010 0.795) 3.400 28.525 ( 1.365 3.010 0.795) 3.400 28.918 ( -5.715 -6.641 -0.299) 8.767 28.918 ( 5.715 -6.641 -0.299) 8.767 31.296 ( -0.713 0.124 0.608) 0.946 31.296 ( 0.713 0.124 0.608) 0.946 31.319 ( -1.075 -0.400 0.008) 1.147 31.319 ( 1.075 -0.400 0.008) 1.147 34.046 ( -0.727 0.728 1.183) 1.568 34.046 ( 0.727 0.728 1.183) 1.568 34.100 ( -1.163 -0.545 0.817) 1.522 34.100 ( 1.163 -0.545 0.817) 1.522 35.104 ( -1.514 1.070 0.571) 1.940 35.104 ( 1.514 1.070 0.571) 1.940 35.282 ( -0.418 6.510 0.932) 6.590 35.282 ( 0.418 6.510 0.932) 6.590 35.460 ( -4.470 -6.938 -1.454) 8.381 35.460 ( 4.470 -6.938 -1.454) 8.381 35.684 ( -0.603 0.368 0.092) 0.713 35.684 ( 0.603 0.368 0.092) 0.713 36.491 ( -0.937 6.600 -0.189) 6.669 36.491 ( 0.937 6.600 -0.189) 6.669 36.991 ( -5.195 -5.110 -0.876) 7.339 36.991 ( 5.195 -5.110 -0.876) 7.339 47.700 ( -1.062 1.061 0.613) 1.621 47.700 ( 1.062 1.061 0.613) 1.621 47.777 ( -1.973 -0.820 -0.595) 2.218 47.777 ( 1.974 -0.820 -0.595) 2.218 48.266 ( -1.913 1.146 1.076) 2.476 48.266 ( 1.913 1.146 1.076) 2.476 48.353 ( -4.747 -0.940 -0.874) 4.917 48.353 ( 4.747 -0.940 -0.874) 4.917 98.054 ( -4.511 2.142 0.455) 5.014 98.054 ( 4.511 2.142 0.455) 5.014 98.097 ( -5.380 0.841 -0.483) 5.467 98.097 ( 5.380 0.841 -0.483) 5.467 99.496 ( -0.148 1.697 2.273) 2.840 99.496 ( 0.148 1.697 2.273) 2.840 99.724 ( -1.159 -3.418 -1.298) 3.835 99.724 ( 1.159 -3.418 -1.298) 3.835 104.809 ( -1.789 1.136 0.593) 2.201 104.809 ( 1.789 1.136 0.593) 2.201 104.883 ( -1.845 -0.392 -0.113) 1.890 104.883 ( 1.845 -0.392 -0.113) 1.890 105.085 ( -0.481 0.950 1.648) 1.962 105.085 ( 0.481 0.950 1.648) 1.962 105.209 ( -2.491 -1.780 -0.755) 3.153 105.209 ( 2.491 -1.780 -0.755) 3.153 ======================= Grid point 63 (26/45) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.000 21.546 13.791) 25.582 1.211 ( 0.000 23.636 4.788) 24.117 1.575 ( 0.000 -17.611 7.061) 18.974 1.695 ( 0.000 -24.535 -5.138) 25.067 1.841 ( 0.000 22.628 12.960) 26.077 2.143 ( 0.000 -5.886 1.530) 6.082 2.326 ( 0.000 6.190 -12.305) 13.774 2.457 ( 0.000 -6.704 -10.575) 12.521 2.527 ( 0.000 7.653 -4.275) 8.766 2.561 ( 0.000 8.706 -4.363) 9.738 2.656 ( 0.000 -2.804 -0.332) 2.823 2.706 ( 0.000 -4.839 -3.144) 5.771 2.747 ( 0.000 1.131 -14.412) 14.456 2.831 ( 0.000 -3.896 -6.258) 7.372 3.177 ( 0.000 4.466 -0.993) 4.575 3.270 ( 0.000 5.560 -1.055) 5.660 3.277 ( 0.000 -5.493 -1.027) 5.589 3.377 ( 0.000 -4.037 -4.077) 5.737 3.510 ( 0.000 -1.120 -4.677) 4.810 3.527 ( 0.000 1.096 1.830) 2.133 3.580 ( 0.000 7.841 1.938) 8.077 3.746 ( 0.000 8.127 3.079) 8.690 3.781 ( 0.000 -11.282 -2.855) 11.637 3.920 ( 0.000 -9.198 0.310) 9.203 3.967 ( 0.000 4.088 0.927) 4.192 4.020 ( 0.000 -0.667 0.800) 1.042 4.230 ( 0.000 10.729 4.924) 11.806 4.287 ( 0.000 -0.990 8.486) 8.543 4.416 ( 0.000 -5.346 0.225) 5.351 4.513 ( 0.000 -8.666 -5.651) 10.346 4.611 ( 0.000 4.831 5.282) 7.158 4.720 ( 0.000 -6.761 5.759) 8.881 5.339 ( 0.000 2.086 0.246) 2.100 5.342 ( 0.000 2.254 0.828) 2.401 5.505 ( 0.000 0.702 7.245) 7.279 5.513 ( 0.000 -1.855 10.461) 10.624 5.656 ( 0.000 1.756 2.990) 3.468 5.705 ( 0.000 -4.544 -0.738) 4.604 5.840 ( 0.000 1.830 2.100) 2.785 5.871 ( 0.000 -1.942 -2.269) 2.987 5.935 ( 0.000 5.994 -3.479) 6.931 6.041 ( 0.000 -3.029 -3.384) 4.542 6.172 ( 0.000 8.124 0.366) 8.133 6.272 ( 0.000 2.683 2.662) 3.780 6.365 ( 0.000 -11.482 1.226) 11.548 6.370 ( 0.000 -5.915 9.647) 11.316 6.471 ( 0.000 7.074 -8.275) 10.887 6.604 ( 0.000 -6.189 -8.057) 10.160 6.682 ( 0.000 1.121 -3.668) 3.836 6.718 ( 0.000 -2.386 -2.335) 3.338 6.839 ( 0.000 2.106 -5.143) 5.558 6.852 ( 0.000 0.387 -2.058) 2.095 6.953 ( 0.000 1.046 -1.298) 1.667 6.988 ( 0.000 -2.353 -3.247) 4.010 7.064 ( 0.000 1.549 -4.386) 4.651 7.128 ( 0.000 -4.859 -8.890) 10.131 7.324 ( 0.000 3.055 -0.878) 3.179 7.337 ( 0.000 1.589 -1.750) 2.364 7.443 ( 0.000 1.035 2.173) 2.406 7.471 ( 0.000 -1.889 1.069) 2.171 7.510 ( 0.000 5.265 4.556) 6.962 7.633 ( 0.000 -6.634 2.915) 7.246 7.914 ( 0.000 4.400 7.330) 8.549 7.999 ( 0.000 -3.171 1.131) 3.367 8.208 ( 0.000 6.686 1.231) 6.798 8.248 ( 0.000 7.891 -1.267) 7.992 8.335 ( 0.000 -6.632 -0.136) 6.633 8.429 ( 0.000 -8.352 -2.566) 8.738 8.494 ( 0.000 1.890 -3.381) 3.874 8.511 ( 0.000 -0.682 -6.225) 6.262 8.638 ( 0.000 0.869 -0.326) 0.928 8.666 ( 0.000 -1.574 -3.982) 4.282 9.304 ( 0.000 1.137 -2.908) 3.122 9.356 ( 0.000 -4.298 -4.327) 6.099 9.565 ( 0.000 2.246 -1.389) 2.641 9.614 ( 0.000 -2.498 -1.952) 3.170 9.732 ( 0.000 1.606 2.131) 2.668 9.760 ( 0.000 1.840 4.742) 5.086 9.786 ( 0.000 0.711 6.459) 6.498 9.838 ( 0.000 -1.766 9.669) 9.829 10.022 ( 0.000 2.772 1.999) 3.418 10.043 ( 0.000 1.068 -1.097) 1.531 10.204 ( 0.000 1.699 2.450) 2.982 10.238 ( 0.000 -1.577 1.324) 2.059 10.305 ( 0.000 2.418 0.424) 2.455 10.319 ( 0.000 0.027 -1.187) 1.188 10.393 ( 0.000 -0.276 0.959) 0.998 10.444 ( 0.000 -4.292 0.532) 4.325 11.345 ( 0.000 6.697 2.529) 7.159 11.471 ( 0.000 -5.871 1.566) 6.077 11.622 ( 0.000 0.456 -1.655) 1.716 11.640 ( 0.000 -1.270 -2.559) 2.857 11.713 ( 0.000 1.727 2.879) 3.357 11.746 ( 0.000 -1.684 3.806) 4.162 12.152 ( 0.000 8.106 -11.930) 14.423 12.278 ( 0.000 -5.157 -8.972) 10.348 14.188 ( 0.000 0.875 -2.405) 2.560 14.207 ( 0.000 -0.938 -3.110) 3.248 14.333 ( 0.000 -0.106 2.815) 2.817 14.344 ( 0.000 -1.165 2.744) 2.981 15.322 ( 0.000 2.158 -0.104) 2.160 15.351 ( 0.000 -1.189 1.968) 2.299 15.500 ( 0.000 4.343 -1.266) 4.523 15.538 ( 0.000 0.151 -2.730) 2.735 15.581 ( 0.000 0.909 -3.617) 3.730 15.588 ( 0.000 -0.581 -1.842) 1.931 15.714 ( 0.000 2.545 -3.234) 4.116 15.772 ( 0.000 -3.119 -3.497) 4.685 15.893 ( 0.000 3.138 3.630) 4.798 15.979 ( 0.000 -5.580 3.112) 6.389 16.109 ( 0.000 0.705 3.156) 3.234 16.151 ( 0.000 -3.458 2.270) 4.136 16.248 ( 0.000 6.759 5.953) 9.007 16.375 ( 0.000 -5.728 5.798) 8.150 16.568 ( 0.000 1.787 -2.229) 2.857 16.594 ( 0.000 -0.614 -0.753) 0.971 17.138 ( 0.000 2.159 3.935) 4.489 17.179 ( 0.000 -1.906 3.649) 4.117 17.643 ( 0.000 3.997 2.826) 4.895 17.659 ( 0.000 1.828 -6.886) 7.124 17.824 ( 0.000 2.582 -10.464) 10.778 17.945 ( 0.000 -6.678 2.650) 7.185 18.062 ( 0.000 4.325 1.055) 4.452 18.209 ( 0.000 -7.877 3.398) 8.579 19.845 ( 0.000 0.456 -1.321) 1.398 19.854 ( 0.000 -0.513 -1.524) 1.608 19.940 ( 0.000 0.005 1.108) 1.108 19.944 ( 0.000 -0.397 1.084) 1.154 21.141 ( 0.000 2.489 1.422) 2.866 21.165 ( 0.000 -0.396 0.549) 0.677 21.260 ( 0.000 3.939 0.972) 4.057 21.369 ( 0.000 -6.559 -0.315) 6.566 22.500 ( 0.000 0.907 0.156) 0.920 22.513 ( 0.000 0.444 0.513) 0.678 22.539 ( 0.000 1.276 -0.552) 1.390 22.588 ( 0.000 -2.784 -0.696) 2.870 23.562 ( 0.000 0.585 -0.323) 0.668 23.574 ( 0.000 -0.495 -0.864) 0.995 23.668 ( 0.000 0.786 -0.675) 1.036 23.680 ( 0.000 -0.390 -0.812) 0.901 26.308 ( 0.000 0.574 0.497) 0.759 26.318 ( 0.000 -0.463 0.360) 0.586 26.915 ( 0.000 0.392 2.434) 2.465 26.941 ( 0.000 -1.944 0.896) 2.141 28.274 ( 0.000 2.949 3.037) 4.234 28.342 ( 0.000 -3.573 3.637) 5.098 28.394 ( 0.000 0.829 1.727) 1.915 28.433 ( 0.000 -2.264 1.015) 2.481 31.318 ( 0.000 0.580 -0.431) 0.723 31.326 ( 0.000 -0.245 -0.530) 0.584 31.368 ( 0.000 0.399 1.358) 1.416 31.381 ( 0.000 -0.950 0.850) 1.274 34.228 ( 0.000 1.167 0.559) 1.294 34.250 ( 0.000 -1.431 2.244) 2.661 34.442 ( 0.000 -0.292 9.155) 9.160 34.449 ( 0.000 -0.848 8.910) 8.951 34.812 ( 0.000 1.874 0.950) 2.101 34.899 ( 0.000 -6.605 -3.691) 7.566 35.143 ( 0.000 3.888 -2.158) 4.447 35.217 ( 0.000 -3.265 -2.617) 4.185 35.224 ( 0.000 2.613 0.796) 2.731 35.255 ( 0.000 -0.386 -0.260) 0.466 35.321 ( 0.000 -0.166 1.501) 1.510 35.357 ( 0.000 -4.152 1.718) 4.493 36.812 ( 0.000 15.644 4.619) 16.312 37.086 ( 0.000 -11.972 4.498) 12.789 37.614 ( 0.000 8.326 -17.562) 19.435 37.714 ( 0.000 -3.005 -10.193) 10.627 47.712 ( 0.000 1.474 -2.155) 2.611 47.725 ( 0.000 0.811 -3.440) 3.534 47.767 ( 0.000 1.027 0.520) 1.151 47.811 ( 0.000 -3.224 -0.050) 3.224 48.184 ( 0.000 3.066 -0.548) 3.115 48.232 ( 0.000 -1.601 -1.645) 2.295 48.502 ( 0.000 4.212 2.209) 4.756 48.588 ( 0.000 -4.382 0.582) 4.421 97.898 ( 0.000 0.803 1.166) 1.416 97.905 ( 0.000 0.140 1.428) 1.435 98.622 ( 0.000 6.685 -4.908) 8.293 98.707 ( 0.000 -0.247 -12.000) 12.003 99.590 ( 0.000 4.776 2.141) 5.234 99.704 ( 0.000 -6.221 2.365) 6.655 99.804 ( 0.000 -1.130 4.261) 4.408 99.827 ( 0.000 -2.579 -1.977) 3.250 104.762 ( 0.000 1.551 2.271) 2.750 104.793 ( 0.000 -1.317 2.002) 2.396 104.965 ( 0.000 1.130 -0.489) 1.231 104.974 ( 0.000 0.111 -1.472) 1.476 105.099 ( 0.000 -0.231 1.630) 1.646 105.112 ( 0.000 -1.583 -0.307) 1.612 105.303 ( 0.000 -1.306 7.318) 7.434 105.331 ( 0.000 -2.954 4.390) 5.292 ======================= Grid point 64 (27/45) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 9.509 21.981 1.351) 23.988 1.472 ( 19.469 16.677 10.462) 27.688 1.747 ( 5.916 -22.458 -5.284) 23.818 1.795 ( 16.499 -13.163 6.350) 22.041 1.953 ( 13.062 17.846 8.149) 23.569 2.194 ( 8.515 -4.237 -3.246) 10.050 2.444 ( 2.132 8.626 -7.384) 11.553 2.563 ( 9.001 -0.281 -4.886) 10.246 2.606 ( 2.525 1.023 -6.532) 7.077 2.614 ( 7.795 -0.659 -5.088) 9.332 2.701 ( 7.035 0.912 -2.407) 7.491 2.717 ( 9.005 -2.477 -3.111) 9.844 2.854 ( 6.262 0.730 -11.763) 13.346 2.920 ( 6.228 -3.597 -9.063) 11.570 3.176 ( 1.867 3.778 -4.327) 6.040 3.263 ( 0.075 -4.362 -5.012) 6.645 3.353 ( 5.681 4.513 1.398) 7.388 3.452 ( 7.192 -3.652 -1.549) 8.213 3.536 ( 2.772 3.789 2.774) 5.453 3.577 ( 1.883 1.248 3.211) 3.926 3.713 ( 11.095 -0.184 -1.578) 11.208 3.784 ( 4.245 6.005 4.779) 8.771 3.809 ( 2.288 -7.518 -3.018) 8.418 3.955 ( 5.617 -7.932 1.005) 9.771 4.016 ( 4.189 4.573 -0.479) 6.220 4.062 ( 4.362 1.422 0.808) 4.659 4.207 ( -1.439 9.742 3.162) 10.343 4.312 ( 1.643 -3.238 6.727) 7.645 4.404 ( -0.894 -3.526 1.347) 3.879 4.494 ( -2.131 -8.504 -5.630) 10.419 4.614 ( 0.505 4.120 4.255) 5.944 4.714 ( -0.377 -5.914 5.732) 8.244 5.319 ( -2.722 2.867 3.813) 5.493 5.386 ( 0.514 -2.551 2.674) 3.731 5.423 ( -2.930 3.567 5.844) 7.447 5.484 ( -1.448 -1.297 4.278) 4.699 5.629 ( -2.181 2.315 2.405) 3.987 5.683 ( -2.539 -4.145 -1.407) 5.060 5.741 ( -9.000 2.771 -0.160) 9.418 5.815 ( -6.567 -3.491 0.491) 7.454 5.921 ( -1.520 5.879 -2.209) 6.462 5.973 ( -4.565 1.900 -2.031) 5.345 6.099 ( -6.671 0.986 -3.119) 7.430 6.231 ( -9.636 -10.013 -0.450) 13.904 6.259 ( -2.620 2.655 3.970) 5.448 6.313 ( -5.098 -2.080 4.094) 6.861 6.474 ( -1.417 1.522 -1.382) 2.497 6.536 ( -4.928 -3.778 -6.473) 8.970 6.634 ( -4.387 1.390 0.022) 4.602 6.685 ( -3.517 -3.008 0.944) 4.723 6.799 ( -2.444 3.011 -3.563) 5.267 6.839 ( -1.386 -1.029 -1.868) 2.544 6.929 ( -3.725 2.107 -1.897) 4.681 6.957 ( -2.810 -0.613 0.963) 3.033 7.061 ( -0.482 1.383 -5.595) 5.784 7.127 ( -0.096 -4.991 -8.007) 9.436 7.252 ( -4.726 2.656 -1.140) 5.540 7.297 ( -4.322 -0.910 -1.340) 4.616 7.448 ( 0.232 2.361 0.171) 2.379 7.466 ( -1.359 2.273 1.064) 2.854 7.510 ( 1.346 0.739 3.561) 3.878 7.611 ( -2.214 -7.230 3.159) 8.195 7.798 ( -7.575 5.354 3.014) 9.753 7.885 ( -8.081 -3.394 -1.274) 8.857 8.238 ( 1.982 7.537 1.148) 7.878 8.300 ( 4.058 7.590 -0.653) 8.632 8.358 ( 0.509 -4.715 -0.231) 4.748 8.439 ( -1.630 -0.620 2.059) 2.699 8.459 ( 0.304 -2.781 -5.366) 6.052 8.488 ( -0.163 -3.283 -6.320) 7.124 8.663 ( 1.461 2.049 0.041) 2.517 8.700 ( 1.948 -0.961 -1.316) 2.540 9.279 ( -2.168 0.774 -3.421) 4.123 9.326 ( -2.704 -4.125 -4.440) 6.636 9.520 ( -3.293 3.955 3.351) 6.141 9.597 ( -2.059 -3.121 0.520) 3.776 9.663 ( -4.069 1.345 1.661) 4.596 9.697 ( -4.331 -1.545 0.949) 4.695 9.737 ( -2.063 3.215 6.075) 7.176 9.789 ( -3.529 -1.581 7.855) 8.756 9.999 ( -0.400 4.068 0.315) 4.099 10.058 ( 1.427 -1.437 -1.733) 2.665 10.207 ( -0.562 1.924 2.417) 3.140 10.242 ( -0.862 -1.485 1.102) 2.041 10.316 ( -5.506 1.518 0.105) 5.713 10.358 ( -5.072 -1.885 -0.878) 5.482 10.537 ( 15.029 3.963 1.957) 15.665 10.666 ( 20.426 -9.544 -1.550) 22.599 11.363 ( 1.358 7.579 2.531) 8.105 11.502 ( 1.875 -5.596 0.984) 5.983 11.602 ( -6.192 3.225 2.994) 7.596 11.651 ( -0.425 -1.280 -0.571) 1.465 11.703 ( 4.341 -0.439 -1.185) 4.521 11.732 ( 0.724 -3.155 2.786) 4.271 12.111 ( -3.900 6.026 -10.327) 12.577 12.216 ( -5.193 -4.732 -9.658) 11.943 14.258 ( 6.216 1.087 -2.447) 6.768 14.280 ( 6.236 -0.983 -3.050) 7.011 14.388 ( 4.782 0.219 2.645) 5.469 14.409 ( 5.641 -2.036 2.083) 6.348 15.330 ( 0.540 2.217 -0.186) 2.289 15.357 ( 0.354 -0.913 1.616) 1.889 15.483 ( -1.820 3.894 -1.139) 4.447 15.505 ( -3.371 0.464 -1.328) 3.653 15.546 ( -3.628 0.329 -1.515) 3.945 15.565 ( -0.725 -0.087 -4.692) 4.749 15.685 ( -2.676 3.728 -2.485) 5.219 15.762 ( -0.941 -3.811 -3.336) 5.152 15.915 ( 1.767 2.116 4.233) 5.052 15.963 ( -0.744 -2.599 6.116) 6.687 16.123 ( -1.403 0.392 4.235) 4.479 16.135 ( 2.173 -1.058 2.710) 3.631 16.258 ( 0.046 2.211 3.069) 3.783 16.295 ( -5.002 -0.834 3.612) 6.226 16.492 ( -4.818 3.856 -1.329) 6.312 16.577 ( -2.251 -5.312 -1.741) 6.026 17.191 ( 4.435 0.051 3.841) 5.867 17.198 ( 2.074 -0.585 3.734) 4.311 17.613 ( -1.067 5.085 0.116) 5.197 17.694 ( 0.813 -2.000 -2.025) 2.960 17.837 ( 1.146 5.783 -7.509) 9.547 17.944 ( -1.254 -0.217 -0.868) 1.540 18.061 ( -1.029 -0.736 -2.590) 2.882 18.189 ( -2.324 -9.366 0.030) 9.650 19.848 ( 0.340 0.247 -0.730) 0.842 19.855 ( 0.258 -0.499 -0.976) 1.126 19.940 ( -0.157 -0.108 1.417) 1.430 19.943 ( -0.174 -0.384 1.256) 1.324 21.176 ( 3.395 1.212 1.399) 3.867 21.188 ( 2.457 -0.230 0.761) 2.582 21.330 ( 6.653 5.239 0.258) 8.473 21.447 ( 7.319 -6.238 -1.675) 9.762 22.345 ( -8.844 2.061 2.940) 9.545 22.392 ( -7.494 -2.745 3.738) 8.812 22.603 ( 0.828 4.173 -2.937) 5.169 22.690 ( 3.150 -4.672 -3.442) 6.603 23.704 ( 13.262 0.720 -0.090) 13.281 23.714 ( 13.473 -0.236 -0.361) 13.480 23.907 ( 21.785 2.103 -0.835) 21.902 23.968 ( 24.282 -4.434 -3.300) 24.903 26.226 ( -7.781 0.627 0.485) 7.821 26.238 ( -7.680 -0.512 0.300) 7.703 26.820 ( -8.786 0.803 1.970) 9.040 26.848 ( -8.694 -1.807 0.674) 8.906 28.317 ( 3.914 3.117 2.738) 5.704 28.377 ( 3.959 -2.200 2.516) 5.180 28.448 ( 4.806 2.484 1.452) 5.602 28.550 ( 8.667 -7.868 0.183) 11.707 31.313 ( -0.389 0.575 -0.382) 0.793 31.321 ( -0.438 -0.227 -0.442) 0.662 31.360 ( -0.691 0.412 1.326) 1.551 31.375 ( -0.617 -1.022 0.779) 1.426 34.194 ( -2.979 1.174 0.803) 3.301 34.215 ( -3.009 -0.956 1.455) 3.476 34.358 ( -6.015 0.918 6.078) 8.601 34.391 ( -5.537 -2.295 7.415) 9.535 34.870 ( 4.889 3.045 0.783) 5.813 34.968 ( 5.294 -6.730 -0.870) 8.607 35.156 ( 1.203 4.600 -1.964) 5.144 35.235 ( 2.300 1.170 -0.695) 2.672 35.263 ( 2.288 1.671 0.719) 2.923 35.291 ( 3.978 -1.543 -1.982) 4.705 35.361 ( 3.372 -1.627 1.238) 3.944 35.392 ( 3.241 -5.883 1.434) 6.868 36.778 ( -3.042 14.988 4.012) 15.811 37.043 ( -3.937 -11.630 3.999) 12.913 37.423 ( -15.787 12.892 -12.671) 24.000 37.591 ( -10.935 -5.520 -8.626) 14.982 47.709 ( -0.362 1.187 -2.055) 2.400 47.713 ( -0.701 1.052 -2.522) 2.821 47.764 ( -0.204 1.467 0.989) 1.781 47.809 ( -0.277 -3.040 -0.010) 3.053 48.184 ( 0.278 2.690 -0.114) 2.707 48.228 ( -0.224 -1.568 -1.288) 2.041 48.481 ( -1.963 4.027 1.964) 4.891 48.562 ( -2.395 -3.979 0.328) 4.655 97.908 ( 0.973 0.660 0.975) 1.527 97.912 ( 0.736 0.271 1.189) 1.425 98.560 ( -5.570 5.315 -3.908) 8.633 98.612 ( -8.174 1.603 -8.240) 11.717 99.583 ( -0.625 4.540 1.998) 4.999 99.689 ( -1.259 -5.779 2.002) 6.245 99.718 ( -5.721 2.759 4.012) 7.513 99.798 ( -3.142 -5.031 -1.088) 6.031 104.764 ( 0.241 1.456 1.987) 2.475 104.792 ( 0.077 -1.213 1.712) 2.100 104.955 ( -0.942 1.226 -0.347) 1.584 104.969 ( -0.574 -0.126 -1.360) 1.482 105.098 ( -0.099 0.092 1.782) 1.787 105.118 ( 0.395 -1.521 0.156) 1.579 105.246 ( -3.690 2.398 5.299) 6.888 105.323 ( -1.695 -5.052 3.093) 6.161 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 14.387 15.503 -3.943) 21.515 1.771 ( 10.761 12.131 1.407) 16.277 1.929 ( 11.176 -11.925 -3.554) 16.725 2.075 ( 10.343 -8.078 3.924) 13.698 2.399 ( 9.040 7.406 -3.302) 12.144 2.420 ( 13.721 9.936 1.396) 16.998 2.501 ( 12.477 -2.706 -5.429) 13.874 2.627 ( 1.951 -8.909 -3.415) 9.739 2.720 ( 5.273 3.529 -4.668) 7.877 2.775 ( 6.460 -1.892 -6.065) 9.061 2.952 ( 13.093 3.468 -5.394) 14.579 2.985 ( 8.236 1.768 -9.693) 12.842 3.015 ( 12.123 -3.065 -5.860) 13.810 3.053 ( 8.772 -2.768 -5.697) 10.819 3.291 ( 7.933 0.473 -8.348) 11.525 3.305 ( 4.884 -1.715 -7.350) 8.990 3.503 ( 8.061 5.997 5.142) 11.287 3.562 ( 5.052 1.902 3.393) 6.376 3.623 ( 5.872 -0.306 2.524) 6.398 3.688 ( 7.409 -3.152 0.765) 8.088 3.804 ( 1.711 -1.852 5.909) 6.425 3.860 ( 4.483 -4.430 6.339) 8.940 4.049 ( 1.210 9.242 2.848) 9.746 4.069 ( 10.926 7.373 -3.627) 13.671 4.162 ( 9.636 2.154 -1.352) 9.966 4.229 ( 9.691 -1.370 -0.477) 9.799 4.246 ( 9.486 0.742 0.339) 9.521 4.316 ( 0.573 -9.986 1.467) 10.109 4.408 ( -3.165 -1.739 -0.592) 3.659 4.426 ( 1.729 -2.728 4.599) 5.620 4.648 ( 3.264 1.717 0.548) 3.729 4.722 ( 1.746 -4.425 2.664) 5.452 5.202 ( -6.724 2.809 6.836) 9.992 5.284 ( -4.097 -4.362 4.528) 7.504 5.486 ( -3.603 2.234 1.272) 4.427 5.494 ( 1.495 1.639 -0.507) 2.276 5.520 ( -6.199 3.831 0.792) 7.330 5.589 ( -2.127 2.484 4.342) 5.436 5.609 ( -3.699 -4.594 0.108) 5.899 5.661 ( -5.346 -2.412 -0.499) 5.886 5.821 ( -9.855 4.418 -0.636) 10.819 5.873 ( -3.556 3.161 -4.506) 6.553 5.935 ( -8.874 -4.233 -5.911) 11.471 6.003 ( -10.794 -8.617 -1.570) 13.901 6.168 ( -6.007 1.973 6.123) 8.802 6.193 ( -6.307 -0.892 2.956) 7.022 6.395 ( -7.444 0.755 -2.701) 7.955 6.401 ( -5.347 -0.933 0.535) 5.454 6.517 ( -6.338 0.419 1.952) 6.645 6.593 ( -4.696 -5.672 4.144) 8.449 6.765 ( -1.024 3.591 1.497) 4.023 6.808 ( -1.252 -0.995 1.045) 1.910 6.830 ( -4.734 4.130 0.718) 6.323 6.864 ( -5.499 0.400 4.617) 7.192 7.003 ( -5.778 3.447 -8.517) 10.854 7.100 ( -3.556 -6.072 -8.292) 10.875 7.199 ( -0.030 -1.009 0.420) 1.093 7.218 ( -2.178 -2.300 -1.011) 3.325 7.367 ( -5.498 4.035 -1.536) 6.990 7.454 ( -3.787 -3.198 -1.239) 5.109 7.542 ( 1.529 -0.056 0.257) 1.551 7.568 ( -0.489 -3.253 3.386) 4.720 7.690 ( -1.670 5.087 -2.756) 6.021 7.760 ( -3.080 -1.985 -5.467) 6.581 8.282 ( 1.944 5.375 1.224) 5.845 8.332 ( -0.841 1.972 -1.363) 2.540 8.385 ( -2.426 1.152 -2.361) 3.576 8.412 ( 2.917 4.848 3.578) 6.695 8.426 ( -1.387 -2.015 -7.079) 7.490 8.550 ( 3.324 -4.944 -0.487) 5.978 8.677 ( -0.336 3.622 1.053) 3.787 8.724 ( 0.218 -0.567 0.251) 0.657 9.231 ( -1.901 -0.504 -3.994) 4.452 9.263 ( -2.655 -3.876 -4.023) 6.185 9.442 ( -4.118 3.462 6.002) 8.060 9.518 ( -5.216 -3.549 5.106) 8.116 9.603 ( -2.559 -0.017 1.484) 2.958 9.628 ( -2.299 -1.517 -0.410) 2.785 9.685 ( -2.310 2.633 4.292) 5.540 9.732 ( -1.444 -1.905 3.494) 4.233 10.015 ( 1.687 4.538 -0.021) 4.841 10.094 ( 1.607 -3.339 -0.895) 3.812 10.185 ( -3.301 1.849 -1.394) 4.032 10.190 ( -0.949 1.636 0.823) 2.062 10.239 ( -1.458 -0.666 1.561) 2.238 10.247 ( -3.841 -1.414 -0.632) 4.142 10.767 ( 3.087 4.272 2.268) 5.738 10.884 ( -1.473 -7.548 -0.207) 7.693 11.390 ( 1.247 8.728 2.688) 9.218 11.459 ( -3.008 8.741 3.715) 9.962 11.556 ( 1.403 -6.872 1.363) 7.145 11.627 ( -0.281 -6.877 0.798) 6.929 11.799 ( 4.577 -0.342 -0.857) 4.669 11.830 ( 6.178 -3.475 -0.789) 7.132 12.005 ( -5.058 5.042 -6.798) 9.860 12.113 ( -3.685 -5.978 -8.019) 10.660 14.413 ( 7.785 1.090 -1.972) 8.105 14.431 ( 7.578 -0.595 -2.208) 7.916 14.504 ( 5.700 0.671 1.827) 6.023 14.540 ( 6.100 -2.961 0.733) 6.820 15.329 ( -1.002 2.029 -0.338) 2.288 15.351 ( -1.254 -0.727 0.512) 1.537 15.411 ( -4.430 1.192 0.374) 4.602 15.421 ( -4.472 0.144 -0.290) 4.484 15.482 ( -1.531 5.296 -0.730) 5.561 15.566 ( 0.774 -2.157 -4.571) 5.113 15.617 ( -3.417 6.466 -0.565) 7.335 15.734 ( -1.675 -5.130 -2.848) 6.102 15.956 ( 2.510 0.430 4.834) 5.464 15.977 ( 1.785 -1.587 5.365) 5.872 16.125 ( 1.582 3.174 2.617) 4.407 16.188 ( 2.240 -1.931 1.297) 3.229 16.216 ( -1.761 1.756 2.802) 3.746 16.249 ( -1.193 -0.451 0.496) 1.368 16.418 ( -1.980 3.552 -1.253) 4.255 16.518 ( -3.046 -6.325 -2.655) 7.505 17.264 ( 4.349 1.672 3.578) 5.874 17.306 ( 6.180 -2.522 3.462) 7.519 17.593 ( -1.091 5.256 0.482) 5.390 17.688 ( -1.183 -3.695 -0.009) 3.879 17.841 ( -1.269 6.656 -5.969) 9.030 17.890 ( -3.589 4.466 -1.202) 5.854 18.001 ( -4.290 -3.595 -3.656) 6.685 18.097 ( -6.277 -9.022 -4.937) 12.048 19.858 ( 0.677 0.306 0.063) 0.746 19.868 ( 0.754 -0.613 -0.237) 1.000 19.931 ( -0.726 -0.077 1.635) 1.791 19.935 ( -0.629 -0.452 1.368) 1.572 21.274 ( 5.866 0.464 1.218) 6.009 21.284 ( 6.986 -0.518 1.737) 7.217 21.526 ( 11.596 6.601 -1.710) 13.452 21.653 ( 11.606 -6.060 -4.574) 13.869 22.147 ( -9.967 3.455 5.017) 11.681 22.226 ( -8.288 -4.524 6.095) 11.239 22.553 ( -5.358 6.297 -3.427) 8.950 22.680 ( -3.853 -6.454 -4.200) 8.610 24.082 ( 22.074 1.044 0.101) 22.099 24.098 ( 22.333 -0.507 -0.265) 22.341 24.481 ( 31.031 2.383 -1.105) 31.142 24.555 ( 29.741 -5.168 -3.630) 30.404 25.987 ( -15.037 0.784 0.464) 15.065 26.002 ( -14.849 -0.676 0.165) 14.865 26.565 ( -15.343 1.212 1.161) 15.435 26.594 ( -15.327 -1.643 0.228) 15.417 28.422 ( 5.775 3.893 2.123) 7.281 28.493 ( 6.408 -1.182 0.731) 6.557 28.563 ( 5.452 2.771 1.957) 6.421 28.717 ( 6.266 -11.342 -1.197) 13.013 31.304 ( -0.470 0.530 -0.233) 0.746 31.310 ( -0.540 -0.167 -0.242) 0.615 31.341 ( -1.100 0.391 1.158) 1.644 31.356 ( -1.124 -1.080 0.593) 1.668 34.123 ( -3.397 1.280 0.932) 3.748 34.143 ( -3.479 -0.581 0.499) 3.562 34.228 ( -5.951 1.042 3.520) 6.992 34.260 ( -6.300 -1.997 3.856) 7.652 34.984 ( 5.541 3.508 1.092) 6.648 35.084 ( 5.511 -6.431 0.892) 8.516 35.182 ( 1.019 5.574 -1.464) 5.852 35.292 ( 2.480 -1.177 -0.396) 2.773 35.335 ( 4.696 6.917 0.535) 8.377 35.380 ( 3.765 -1.392 -2.028) 4.497 35.454 ( 5.479 -4.006 0.748) 6.828 35.483 ( 5.271 -6.533 0.984) 8.452 36.701 ( -3.885 13.026 2.608) 13.841 36.937 ( -5.733 -10.355 2.687) 12.138 37.074 ( -15.798 15.510 -6.035) 22.947 37.313 ( -14.473 -9.109 -5.617) 18.000 47.699 ( -0.082 1.688 -1.260) 2.108 47.712 ( 0.385 0.133 -1.266) 1.330 47.758 ( -0.371 1.575 1.093) 1.953 47.799 ( -0.667 -2.576 0.044) 2.661 48.203 ( 1.661 1.421 0.077) 2.187 48.229 ( 0.452 -0.969 -0.643) 1.248 48.427 ( -3.086 3.556 1.434) 4.922 48.497 ( -3.694 -3.358 -0.112) 4.994 97.939 ( 2.002 0.577 0.740) 2.211 97.941 ( 2.294 0.340 0.554) 2.385 98.410 ( -8.457 3.199 -2.272) 9.323 98.420 ( -9.015 2.605 -2.743) 9.777 99.567 ( -0.828 4.060 1.678) 4.471 99.618 ( -3.510 4.331 2.692) 6.191 99.659 ( -1.436 -4.997 1.316) 5.363 99.724 ( -3.370 -6.075 -0.969) 7.014 104.775 ( 0.836 1.377 1.436) 2.158 104.801 ( 0.798 -1.117 1.080) 1.747 104.927 ( -1.741 1.450 0.051) 2.266 104.949 ( -1.387 -0.667 -0.857) 1.761 105.097 ( 0.013 0.773 2.115) 2.252 105.125 ( 0.318 -1.618 0.458) 1.712 105.180 ( -2.495 3.871 1.952) 5.002 105.270 ( -2.966 -4.961 0.817) 5.838 ======================= Grid point 66 (29/45) ======================= q-point: ( 0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 13.872 10.428 -7.293) 18.825 1.980 ( 9.044 9.547 -2.994) 13.487 2.164 ( 9.511 -8.260 -4.082) 13.242 2.260 ( 5.945 -7.154 3.900) 10.086 2.367 ( -0.315 12.887 -7.163) 14.747 2.574 ( -0.886 -8.126 -7.668) 11.208 2.625 ( -2.595 1.635 -6.373) 7.073 2.689 ( -1.027 -3.073 -2.809) 4.288 2.843 ( 7.818 5.713 -3.652) 10.349 2.943 ( 8.261 -2.666 -6.178) 10.655 3.074 ( 0.067 0.820 -4.693) 4.764 3.153 ( 1.210 -5.877 -5.756) 8.315 3.209 ( 11.929 6.375 -5.914) 14.762 3.322 ( 13.229 -3.158 -4.211) 14.238 3.465 ( 11.056 3.006 -4.852) 12.443 3.522 ( 12.806 -1.718 -5.719) 14.130 3.623 ( 2.825 2.530 4.954) 6.239 3.721 ( 4.587 -3.557 4.484) 7.334 3.776 ( 5.454 3.540 3.429) 7.351 3.806 ( 4.133 0.436 0.835) 4.239 3.834 ( 1.355 4.720 1.825) 5.239 3.930 ( 1.449 0.605 5.128) 5.363 3.994 ( -0.176 -1.859 3.154) 3.665 4.132 ( -8.960 -7.716 -2.065) 12.003 4.217 ( 3.609 5.550 1.303) 6.747 4.273 ( 1.880 -0.295 0.005) 1.903 4.379 ( -0.382 2.438 4.998) 5.574 4.430 ( 0.849 -3.017 2.650) 4.105 4.648 ( 20.184 0.712 3.673) 20.528 4.671 ( 22.617 -1.661 2.931) 22.867 4.803 ( 13.094 -0.625 -3.551) 13.581 4.832 ( 9.761 -3.413 -2.823) 10.719 5.099 ( -3.030 5.619 4.526) 7.826 5.235 ( -2.328 -6.746 1.109) 7.222 5.312 ( -6.521 5.079 1.989) 8.501 5.379 ( -7.702 0.859 1.610) 7.915 5.478 ( -4.674 -1.050 3.854) 6.148 5.496 ( -9.912 -2.858 3.788) 10.990 5.539 ( -2.760 3.685 -0.037) 4.604 5.603 ( -6.203 2.513 -1.695) 6.904 5.653 ( -5.291 -4.810 -0.167) 7.153 5.680 ( -12.916 -3.958 0.241) 13.511 5.734 ( -10.090 3.793 -2.194) 11.000 5.837 ( -5.260 -5.766 -4.420) 8.969 6.095 ( 1.987 2.679 2.605) 4.233 6.128 ( 1.749 -0.817 0.757) 2.073 6.249 ( -5.302 2.196 0.872) 5.805 6.316 ( -3.296 -3.051 -0.505) 4.519 6.404 ( -3.196 3.245 2.538) 5.214 6.524 ( -0.603 -7.643 2.812) 8.166 6.717 ( -6.991 2.349 -1.225) 7.477 6.733 ( -6.793 0.959 1.155) 6.957 6.760 ( -0.825 3.686 5.335) 6.537 6.795 ( -0.279 0.487 0.711) 0.906 6.853 ( -5.863 4.487 0.083) 7.384 6.980 ( -7.370 -7.476 -3.254) 10.991 7.198 ( -0.375 -1.582 -0.796) 1.810 7.216 ( 1.284 -3.464 0.429) 3.719 7.252 ( -4.505 1.689 -1.356) 4.998 7.345 ( -4.930 -7.209 -1.419) 8.847 7.581 ( 2.869 2.531 -2.588) 4.619 7.617 ( 4.098 -0.431 -2.268) 4.703 7.690 ( -0.136 3.970 -5.529) 6.808 7.730 ( -0.767 0.354 -7.249) 7.298 8.298 ( -1.273 2.949 -1.485) 3.539 8.306 ( -0.737 1.856 -0.995) 2.231 8.340 ( -1.149 -0.786 -1.919) 2.370 8.367 ( -2.416 -3.474 -3.503) 5.494 8.499 ( 3.655 8.410 1.770) 9.339 8.598 ( 1.126 1.450 2.152) 2.829 8.654 ( -1.203 2.378 0.893) 2.811 8.710 ( -1.508 -0.345 0.707) 1.701 9.218 ( 0.822 -1.553 -2.342) 2.927 9.233 ( -0.077 -3.593 -2.144) 4.185 9.354 ( -4.172 -0.441 4.466) 6.128 9.397 ( -5.838 -4.148 4.602) 8.513 9.567 ( -0.192 1.567 0.944) 1.840 9.603 ( 0.017 -1.732 -0.192) 1.743 9.646 ( -1.994 2.917 3.182) 4.754 9.698 ( -2.536 -2.143 2.565) 4.195 10.073 ( 4.453 4.119 -0.615) 6.097 10.135 ( 2.517 -1.406 -1.527) 3.262 10.174 ( 2.027 0.183 -0.622) 2.128 10.184 ( 0.396 -0.135 -1.221) 1.291 10.216 ( 1.032 0.948 1.771) 2.259 10.233 ( 1.470 -0.136 1.724) 2.269 10.641 ( -12.705 0.930 1.383) 12.814 10.687 ( -14.010 -3.475 0.614) 14.448 11.413 ( 0.878 9.352 2.708) 9.776 11.444 ( -0.281 10.401 2.912) 10.804 11.584 ( 1.331 -7.301 0.716) 7.456 11.629 ( -0.111 -7.529 1.187) 7.623 11.883 ( 3.225 1.697 -1.531) 3.953 11.939 ( -0.090 2.609 -2.128) 3.368 11.952 ( 3.948 -2.803 -2.158) 5.301 12.068 ( -1.263 -7.970 -3.332) 8.730 14.554 ( 5.339 1.183 -0.977) 5.555 14.571 ( 5.294 0.170 -1.199) 5.430 14.605 ( 3.749 -0.037 0.481) 3.780 14.640 ( 3.163 -2.943 -0.292) 4.330 15.296 ( -1.611 1.246 -0.388) 2.073 15.309 ( -2.122 -0.350 -0.313) 2.173 15.330 ( -3.084 0.514 0.654) 3.195 15.335 ( -3.396 -0.049 0.302) 3.409 15.477 ( 0.714 7.639 0.303) 7.678 15.548 ( -2.590 7.820 0.510) 8.254 15.600 ( 1.937 -3.514 -3.228) 5.150 15.694 ( -2.153 -5.886 -2.465) 6.735 16.016 ( 2.391 -0.731 2.978) 3.888 16.028 ( 3.539 -1.337 2.001) 4.280 16.123 ( -2.355 2.854 0.782) 3.782 16.180 ( -2.959 -2.375 -0.947) 3.910 16.237 ( 4.639 3.067 2.254) 6.001 16.288 ( 4.126 -1.892 1.155) 4.683 16.393 ( -1.232 2.367 -0.739) 2.768 16.453 ( -3.367 -3.485 -2.368) 5.393 17.371 ( 5.675 3.274 2.636) 7.062 17.441 ( 6.585 -3.658 2.575) 7.961 17.561 ( -2.227 4.906 0.702) 5.433 17.649 ( -2.679 -3.238 0.474) 4.229 17.794 ( -2.546 5.490 -3.392) 6.937 17.811 ( -3.545 5.398 -1.632) 6.661 17.910 ( -3.702 -5.385 -2.410) 6.965 17.959 ( -5.986 -7.092 -5.363) 10.718 19.874 ( 0.815 0.340 0.477) 1.004 19.882 ( 0.648 -0.400 0.276) 0.810 19.913 ( -0.915 -0.035 1.381) 1.657 19.918 ( -0.900 -0.536 1.173) 1.573 21.430 ( 8.947 1.489 1.890) 9.265 21.464 ( 10.062 -1.966 1.933) 10.433 21.754 ( 5.669 4.768 -4.185) 8.508 21.838 ( 0.825 -3.932 -5.494) 6.806 21.971 ( -2.731 6.693 6.303) 9.591 22.113 ( 2.262 -7.167 5.682) 9.421 22.391 ( -9.919 7.510 -2.721) 12.736 22.543 ( -9.067 -7.520 -3.698) 12.346 24.588 ( 25.703 1.186 0.247) 25.731 24.608 ( 25.836 -0.792 -0.204) 25.849 25.130 ( 30.211 0.945 -0.920) 30.240 25.162 ( 28.139 -2.305 -1.963) 28.301 25.608 ( -21.039 1.002 0.460) 21.068 25.627 ( -20.875 -0.856 0.048) 20.893 26.190 ( -20.580 1.138 0.452) 20.617 26.216 ( -20.932 -1.460 -0.215) 20.984 28.539 ( 5.020 5.034 1.473) 7.260 28.606 ( 3.252 4.923 -0.494) 5.921 28.667 ( 4.997 -4.388 2.276) 7.029 28.792 ( 0.924 -10.510 -0.896) 10.588 31.297 ( -0.110 0.434 0.011) 0.448 31.303 ( -0.070 -0.217 -0.033) 0.230 31.318 ( -1.041 0.351 0.809) 1.364 31.331 ( -1.218 -0.903 0.359) 1.558 34.069 ( -1.478 1.113 0.830) 2.028 34.085 ( -1.814 -0.216 0.402) 1.870 34.124 ( -3.854 0.600 1.855) 4.319 34.146 ( -4.450 -1.323 1.694) 4.942 35.088 ( 4.316 3.785 0.883) 5.808 35.187 ( 1.534 1.642 -0.592) 2.324 35.193 ( 2.596 -2.460 0.722) 3.649 35.315 ( -0.559 -5.541 -0.636) 5.605 35.435 ( 4.111 8.227 -0.145) 9.198 35.449 ( 2.990 5.221 -0.406) 6.030 35.567 ( 4.782 -5.553 0.408) 7.340 35.590 ( 4.174 -6.117 0.278) 7.411 36.641 ( -1.361 10.317 1.023) 10.456 36.797 ( -9.582 12.633 -2.673) 16.080 36.840 ( -3.498 -8.482 1.360) 9.276 37.031 ( -11.829 -9.957 -3.021) 15.754 47.707 ( 0.802 1.561 -0.332) 1.786 47.727 ( 0.905 -0.240 -0.685) 1.161 47.748 ( -0.589 1.131 0.790) 1.500 47.780 ( -1.090 -1.987 -0.024) 2.266 48.247 ( 1.986 0.522 0.024) 2.053 48.256 ( 2.670 -0.374 -0.219) 2.705 48.359 ( -3.287 2.785 0.905) 4.402 48.413 ( -4.179 -2.606 -0.330) 4.936 97.998 ( 3.708 0.991 0.382) 3.857 98.007 ( 4.011 0.114 0.145) 4.016 98.234 ( -7.698 2.620 -0.623) 8.156 98.250 ( -7.529 0.839 -0.839) 7.622 99.552 ( -0.477 3.756 1.341) 4.017 99.568 ( -1.497 4.167 1.443) 4.657 99.637 ( -0.566 -4.645 0.417) 4.698 99.667 ( -2.057 -5.604 -0.710) 6.012 104.800 ( 1.544 1.453 0.976) 2.334 104.826 ( 1.563 -1.022 0.520) 1.938 104.885 ( -2.162 1.473 0.488) 2.661 104.912 ( -2.094 -1.049 -0.169) 2.348 105.101 ( 0.450 1.431 1.559) 2.164 105.134 ( 0.339 -0.285 -0.035) 0.444 105.142 ( -0.884 1.501 0.527) 1.820 105.211 ( -2.613 -3.751 -0.229) 4.577 ======================= Grid point 67 (30/45) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -4.297 11.176 -4.497) 12.790 2.064 ( 4.297 11.176 -4.497) 12.790 2.258 ( -2.519 -6.822 -7.889) 10.729 2.258 ( 2.519 -6.822 -7.889) 10.729 2.490 ( -8.269 4.376 -2.931) 9.803 2.490 ( 8.269 4.376 -2.931) 9.803 2.613 ( -4.084 -5.509 -3.377) 7.644 2.613 ( 4.084 -5.509 -3.377) 7.644 2.973 ( -4.440 5.678 -3.854) 8.173 2.973 ( 4.440 5.678 -3.854) 8.173 3.114 ( -3.795 -8.058 -8.884) 12.580 3.114 ( 3.795 -8.058 -8.884) 12.580 3.439 ( -6.985 10.185 -2.928) 12.692 3.439 ( 6.985 10.185 -2.928) 12.692 3.614 ( -1.817 -1.922 -2.057) 3.351 3.614 ( 1.817 -1.922 -2.057) 3.351 3.731 ( -4.451 -0.653 1.680) 4.803 3.731 ( 4.451 -0.653 1.680) 4.803 3.764 ( -8.741 -1.614 0.296) 8.894 3.764 ( 8.741 -1.614 0.296) 8.894 3.932 ( -1.868 1.958 4.704) 5.427 3.932 ( 1.868 1.958 4.704) 5.427 4.032 ( -2.676 -6.290 1.466) 6.991 4.032 ( 2.676 -6.290 1.466) 6.991 4.291 ( -3.183 4.840 2.436) 6.284 4.291 ( 3.183 4.840 2.436) 6.284 4.371 ( -3.875 -2.301 2.530) 5.168 4.371 ( 3.875 -2.301 2.530) 5.168 4.992 ( -9.987 3.117 0.642) 10.482 4.992 ( 9.987 3.117 0.642) 10.482 5.060 ( -12.042 -3.931 0.654) 12.685 5.060 ( 12.042 -3.931 0.654) 12.685 5.149 ( -7.622 4.067 0.315) 8.645 5.149 ( 7.622 4.067 0.315) 8.645 5.211 ( -13.179 -0.976 0.528) 13.226 5.211 ( 13.179 -0.976 0.528) 13.226 5.321 ( -7.276 -0.071 2.059) 7.562 5.321 ( 7.276 -0.071 2.059) 7.562 5.397 ( -2.522 -5.453 3.695) 7.053 5.397 ( 2.522 -5.453 3.695) 7.053 5.591 ( -3.042 6.194 -0.611) 6.928 5.591 ( 3.042 6.194 -0.611) 6.928 5.725 ( -4.628 -6.132 -1.092) 7.760 5.725 ( 4.628 -6.132 -1.092) 7.760 6.159 ( -3.032 3.459 0.586) 4.637 6.159 ( 3.032 3.459 0.586) 4.637 6.232 ( -4.659 -3.347 0.913) 5.809 6.232 ( 4.659 -3.347 0.913) 5.809 6.486 ( -10.823 5.021 -1.282) 12.000 6.486 ( 10.823 5.021 -1.282) 12.000 6.597 ( -6.542 -5.191 -0.832) 8.393 6.597 ( 6.542 -5.191 -0.832) 8.393 6.765 ( -1.207 5.042 3.491) 6.250 6.765 ( 1.207 5.042 3.491) 6.250 6.851 ( -3.844 -4.157 1.824) 5.948 6.851 ( 3.844 -4.157 1.824) 5.948 7.197 ( -0.700 0.099 -0.400) 0.812 7.197 ( 0.700 0.099 -0.400) 0.812 7.262 ( -2.961 -6.381 0.770) 7.076 7.262 ( 2.961 -6.381 0.770) 7.076 7.652 ( -3.210 3.924 -6.105) 7.935 7.652 ( 3.210 3.924 -6.105) 7.935 7.697 ( -2.885 0.091 -5.879) 6.549 7.697 ( 2.885 0.091 -5.879) 6.549 8.285 ( -0.521 2.143 -1.609) 2.730 8.285 ( 0.521 2.143 -1.609) 2.730 8.336 ( -0.506 -2.762 -2.896) 4.034 8.336 ( 0.506 -2.762 -2.896) 4.034 8.571 ( -3.089 8.404 3.429) 9.588 8.571 ( 3.089 8.404 3.429) 9.588 8.669 ( -2.086 -0.938 0.518) 2.345 8.669 ( 2.086 -0.938 0.518) 2.345 9.246 ( -0.590 -0.439 0.471) 0.873 9.246 ( 0.590 -0.439 0.471) 0.873 9.304 ( -1.601 -5.747 1.439) 6.137 9.304 ( 1.601 -5.747 1.439) 6.137 9.595 ( -2.382 2.368 1.629) 3.733 9.595 ( 2.382 2.368 1.629) 3.733 9.635 ( -2.749 -1.595 1.224) 3.406 9.635 ( 2.749 -1.595 1.224) 3.406 10.150 ( -1.601 3.343 -0.044) 3.707 10.150 ( 1.601 3.343 -0.044) 3.707 10.191 ( -0.625 -0.587 -0.086) 0.861 10.191 ( 0.625 -0.587 -0.086) 0.861 10.351 ( -10.212 1.047 0.639) 10.285 10.351 ( 10.212 1.047 0.639) 10.285 10.396 ( -10.561 -2.966 0.610) 10.987 10.396 ( 10.561 -2.966 0.610) 10.987 11.430 ( -0.798 10.190 2.540) 10.532 11.430 ( 0.798 10.190 2.540) 10.532 11.613 ( -1.295 -7.743 0.696) 7.881 11.613 ( 1.295 -7.743 0.696) 7.881 11.927 ( -1.013 3.789 -1.327) 4.141 11.927 ( 1.013 3.789 -1.327) 4.141 12.031 ( -2.699 -7.059 -1.312) 7.671 12.031 ( 2.699 -7.059 -1.312) 7.671 14.620 ( -0.690 1.681 -0.305) 1.843 14.620 ( 0.690 1.681 -0.305) 1.843 14.661 ( -1.232 -2.462 -0.746) 2.853 14.661 ( 1.232 -2.462 -0.746) 2.853 15.283 ( -0.522 0.782 -0.071) 0.943 15.283 ( 0.522 0.782 -0.071) 0.943 15.294 ( -0.201 -0.261 0.091) 0.342 15.294 ( 0.201 -0.261 0.091) 0.342 15.503 ( -1.719 8.507 0.910) 8.726 15.503 ( 1.719 8.507 0.910) 8.726 15.647 ( -2.346 -5.347 -2.610) 6.396 15.647 ( 2.346 -5.347 -2.610) 6.396 16.065 ( -2.254 1.247 1.318) 2.894 16.065 ( 2.254 1.247 1.318) 2.894 16.110 ( -3.436 -2.668 0.134) 4.352 16.110 ( 3.436 -2.668 0.134) 4.352 16.340 ( -4.201 1.958 0.142) 4.637 16.340 ( 4.201 1.958 0.142) 4.637 16.375 ( -3.980 -1.231 -0.649) 4.216 16.375 ( 3.980 -1.231 -0.649) 4.216 17.486 ( -4.907 4.317 1.414) 6.687 17.486 ( 4.907 4.317 1.414) 6.687 17.568 ( -5.165 -3.624 1.311) 6.444 17.568 ( 5.165 -3.624 1.311) 6.444 17.765 ( -0.355 5.169 -1.988) 5.550 17.765 ( 0.355 5.169 -1.988) 5.550 17.879 ( -1.258 -6.044 -3.274) 6.988 17.879 ( 1.258 -6.044 -3.274) 6.988 19.890 ( -0.474 0.422 0.679) 0.929 19.890 ( 0.474 0.422 0.679) 0.929 19.901 ( -0.449 -0.686 0.972) 1.272 19.901 ( 0.449 -0.686 0.972) 1.272 21.635 ( -9.962 2.365 1.610) 10.365 21.635 ( 9.962 2.365 1.610) 10.365 21.688 ( -10.524 -3.066 1.103) 11.016 21.688 ( 10.524 -3.066 1.103) 11.016 22.144 ( -12.058 9.123 -1.503) 15.195 22.144 ( 12.058 9.123 -1.503) 15.195 22.319 ( -11.562 -8.369 -1.412) 14.343 22.319 ( 11.562 -8.369 -1.412) 14.343 25.122 ( -24.964 1.147 0.329) 24.993 25.122 ( 24.964 1.147 0.329) 24.993 25.143 ( -24.926 -0.934 -0.141) 24.944 25.143 ( 24.926 -0.934 -0.141) 24.944 25.709 ( -15.318 0.824 -0.672) 15.355 25.709 ( 15.318 0.824 -0.672) 15.355 25.731 ( -15.958 -1.364 -0.311) 16.019 25.731 ( 15.958 -1.364 -0.311) 16.019 28.615 ( -1.964 6.267 0.710) 6.605 28.615 ( 1.964 6.267 0.710) 6.605 28.762 ( -3.459 -8.450 0.361) 9.137 28.762 ( 3.459 -8.450 0.361) 9.137 31.301 ( -0.516 0.365 0.379) 0.737 31.301 ( 0.516 0.365 0.379) 0.737 31.310 ( -0.722 -0.528 0.150) 0.907 31.310 ( 0.722 -0.528 0.150) 0.907 34.065 ( -0.816 1.101 0.949) 1.667 34.065 ( 0.816 1.101 0.949) 1.667 34.085 ( -0.971 -0.970 0.829) 1.604 34.085 ( 0.971 -0.970 0.829) 1.604 35.159 ( -2.426 4.602 0.186) 5.206 35.159 ( 2.426 4.602 0.186) 5.206 35.274 ( -3.207 -6.562 -0.039) 7.304 35.274 ( 3.207 -6.562 -0.039) 7.304 35.484 ( -0.288 8.168 -0.156) 8.174 35.484 ( 0.288 8.168 -0.156) 8.174 35.629 ( -0.700 -5.760 0.244) 5.807 35.629 ( 0.700 -5.760 0.244) 5.807 36.660 ( -3.501 10.002 -0.551) 10.611 36.660 ( 3.501 10.002 -0.551) 10.611 36.851 ( -4.817 -8.976 -0.768) 10.216 36.851 ( 4.817 -8.976 -0.768) 10.216 47.726 ( -0.903 1.521 0.232) 1.784 47.726 ( 0.903 1.521 0.232) 1.784 47.755 ( -1.220 -1.374 -0.209) 1.849 47.755 ( 1.220 -1.374 -0.209) 1.849 48.295 ( -2.717 1.707 0.425) 3.236 48.295 ( 2.717 1.707 0.425) 3.236 48.328 ( -3.898 -1.582 -0.309) 4.218 48.328 ( 3.898 -1.582 -0.309) 4.218 98.095 ( -5.609 1.665 0.068) 5.851 98.095 ( 5.609 1.665 0.068) 5.851 98.110 ( -5.831 0.171 -0.228) 5.838 98.110 ( 5.831 0.171 -0.228) 5.838 99.550 ( -0.323 3.842 1.131) 4.018 99.550 ( 0.323 3.842 1.131) 4.018 99.639 ( -0.710 -4.910 -0.263) 4.968 99.639 ( 0.710 -4.910 -0.263) 4.968 104.838 ( -1.918 1.651 0.576) 2.595 104.838 ( 1.918 1.651 0.576) 2.595 104.867 ( -1.954 -1.249 0.349) 2.346 104.867 ( 1.954 -1.249 0.349) 2.346 105.116 ( -0.941 2.178 0.617) 2.452 105.116 ( 0.941 2.178 0.617) 2.452 105.164 ( -1.800 -2.633 -0.256) 3.200 105.164 ( 1.800 -2.633 -0.256) 3.200 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.000 0.000 25.906) 25.906 1.192 ( 0.000 0.000 25.928) 25.928 1.521 ( 0.000 0.000 11.173) 11.173 1.598 ( 0.000 0.000 -22.797) 22.797 1.843 ( 0.000 0.000 0.585) 0.585 2.207 ( 0.000 0.000 -17.884) 17.884 2.295 ( 0.000 0.000 0.586) 0.586 2.322 ( 0.000 0.000 -1.349) 1.349 2.374 ( 0.000 0.000 6.639) 6.639 2.553 ( 0.000 0.000 -9.647) 9.647 2.622 ( 0.000 0.000 5.237) 5.237 2.683 ( 0.000 0.000 1.729) 1.729 2.732 ( 0.000 0.000 -2.016) 2.016 2.789 ( 0.000 0.000 -5.908) 5.908 3.066 ( 0.000 0.000 6.716) 6.716 3.260 ( 0.000 0.000 5.282) 5.282 3.308 ( 0.000 0.000 -15.369) 15.369 3.332 ( 0.000 0.000 0.569) 0.569 3.348 ( 0.000 0.000 -0.936) 0.936 3.383 ( 0.000 0.000 -8.032) 8.032 3.743 ( 0.000 0.000 11.777) 11.777 3.802 ( 0.000 0.000 13.525) 13.525 3.818 ( 0.000 0.000 3.579) 3.579 3.917 ( 0.000 0.000 9.993) 9.993 3.940 ( 0.000 0.000 2.550) 2.550 4.083 ( 0.000 0.000 -10.710) 10.710 4.097 ( 0.000 0.000 -10.201) 10.201 4.104 ( 0.000 0.000 -9.808) 9.808 4.572 ( 0.000 0.000 -1.605) 1.605 4.588 ( 0.000 0.000 0.371) 0.371 4.599 ( 0.000 0.000 0.488) 0.488 4.729 ( 0.000 0.000 -10.182) 10.182 5.275 ( 0.000 0.000 4.880) 4.880 5.330 ( 0.000 0.000 1.074) 1.074 5.618 ( 0.000 0.000 5.948) 5.948 5.638 ( 0.000 0.000 3.950) 3.950 5.759 ( 0.000 0.000 4.873) 4.873 5.773 ( 0.000 0.000 -1.208) 1.208 5.850 ( 0.000 0.000 -1.619) 1.619 5.903 ( 0.000 0.000 1.830) 1.830 5.944 ( 0.000 0.000 -1.714) 1.714 5.974 ( 0.000 0.000 -3.500) 3.500 6.106 ( 0.000 0.000 -7.558) 7.558 6.139 ( 0.000 0.000 -5.058) 5.058 6.212 ( 0.000 0.000 10.120) 10.120 6.414 ( 0.000 0.000 -9.121) 9.121 6.597 ( 0.000 0.000 0.711) 0.711 6.612 ( 0.000 0.000 0.714) 0.714 6.770 ( 0.000 0.000 3.968) 3.968 6.786 ( 0.000 0.000 2.012) 2.012 6.788 ( 0.000 0.000 0.743) 0.743 6.816 ( 0.000 0.000 -0.260) 0.260 6.937 ( 0.000 0.000 0.055) 0.055 7.070 ( 0.000 0.000 -11.052) 11.052 7.130 ( 0.000 0.000 1.258) 1.258 7.167 ( 0.000 0.000 2.416) 2.416 7.282 ( 0.000 0.000 -0.345) 0.345 7.284 ( 0.000 0.000 0.234) 0.234 7.313 ( 0.000 0.000 1.417) 1.417 7.414 ( 0.000 0.000 -5.538) 5.538 7.654 ( 0.000 0.000 7.369) 7.369 7.767 ( 0.000 0.000 -4.502) 4.502 7.933 ( 0.000 0.000 9.230) 9.230 7.956 ( 0.000 0.000 -2.863) 2.863 7.963 ( 0.000 0.000 -2.612) 2.612 8.138 ( 0.000 0.000 -10.288) 10.288 8.379 ( 0.000 0.000 6.821) 6.821 8.495 ( 0.000 0.000 -4.895) 4.895 8.507 ( 0.000 0.000 5.318) 5.318 8.594 ( 0.000 0.000 -3.372) 3.372 8.655 ( 0.000 0.000 0.908) 0.908 8.681 ( 0.000 0.000 -1.461) 1.461 9.449 ( 0.000 0.000 6.351) 6.351 9.554 ( 0.000 0.000 1.724) 1.724 9.564 ( 0.000 0.000 2.441) 2.441 9.572 ( 0.000 0.000 -5.149) 5.149 9.578 ( 0.000 0.000 -0.986) 0.986 9.613 ( 0.000 0.000 -2.810) 2.810 9.913 ( 0.000 0.000 3.388) 3.388 9.924 ( 0.000 0.000 0.015) 0.015 9.924 ( 0.000 0.000 0.077) 0.077 9.951 ( 0.000 0.000 1.123) 1.123 10.206 ( 0.000 0.000 1.884) 1.884 10.241 ( 0.000 0.000 2.794) 2.794 10.248 ( 0.000 0.000 -1.561) 1.561 10.281 ( 0.000 0.000 -1.269) 1.269 10.571 ( 0.000 0.000 4.872) 4.872 10.657 ( 0.000 0.000 -3.541) 3.541 11.244 ( 0.000 0.000 4.698) 4.698 11.361 ( 0.000 0.000 -6.536) 6.536 11.655 ( 0.000 0.000 0.712) 0.712 11.662 ( 0.000 0.000 -0.052) 0.052 11.675 ( 0.000 0.000 1.050) 1.050 11.696 ( 0.000 0.000 -0.955) 0.955 11.973 ( 0.000 0.000 10.268) 10.268 12.191 ( 0.000 0.000 -10.878) 10.878 14.158 ( 0.000 0.000 -0.119) 0.119 14.175 ( 0.000 0.000 -1.769) 1.769 14.413 ( 0.000 0.000 1.259) 1.259 14.421 ( 0.000 0.000 0.639) 0.639 15.224 ( 0.000 0.000 4.122) 4.122 15.330 ( 0.000 0.000 -6.407) 6.407 15.484 ( 0.000 0.000 8.406) 8.406 15.490 ( 0.000 0.000 3.441) 3.441 15.552 ( 0.000 0.000 2.458) 2.458 15.553 ( 0.000 0.000 -3.109) 3.109 15.609 ( 0.000 0.000 -2.623) 2.623 15.664 ( 0.000 0.000 -9.096) 9.096 16.029 ( 0.000 0.000 10.303) 10.303 16.178 ( 0.000 0.000 0.990) 0.990 16.186 ( 0.000 0.000 -0.060) 0.060 16.205 ( 0.000 0.000 5.949) 5.949 16.248 ( 0.000 0.000 -10.778) 10.778 16.300 ( 0.000 0.000 -3.534) 3.534 16.539 ( 0.000 0.000 1.162) 1.162 16.563 ( 0.000 0.000 -1.167) 1.167 17.268 ( 0.000 0.000 10.752) 10.752 17.307 ( 0.000 0.000 5.040) 5.040 17.409 ( 0.000 0.000 -4.809) 4.809 17.522 ( 0.000 0.000 -14.237) 14.237 17.611 ( 0.000 0.000 5.530) 5.530 17.718 ( 0.000 0.000 -4.784) 4.784 18.500 ( 0.000 0.000 2.935) 2.935 18.517 ( 0.000 0.000 0.852) 0.852 19.822 ( 0.000 0.000 -0.078) 0.078 19.834 ( 0.000 0.000 -1.269) 1.269 19.968 ( 0.000 0.000 0.936) 0.936 19.979 ( 0.000 0.000 -0.089) 0.089 21.081 ( 0.000 0.000 2.226) 2.226 21.127 ( 0.000 0.000 -2.200) 2.200 21.317 ( 0.000 0.000 6.468) 6.468 21.462 ( 0.000 0.000 -7.596) 7.596 22.457 ( 0.000 0.000 0.585) 0.585 22.469 ( 0.000 0.000 -0.592) 0.592 22.613 ( 0.000 0.000 2.114) 2.114 22.643 ( 0.000 0.000 -0.940) 0.940 23.547 ( 0.000 0.000 -0.008) 0.008 23.548 ( 0.000 0.000 -0.079) 0.079 23.650 ( 0.000 0.000 0.483) 0.483 23.665 ( 0.000 0.000 -0.983) 0.983 26.304 ( 0.000 0.000 0.575) 0.575 26.315 ( 0.000 0.000 -0.464) 0.464 27.002 ( 0.000 0.000 0.330) 0.330 27.008 ( 0.000 0.000 -0.251) 0.251 28.263 ( 0.000 0.000 2.487) 2.487 28.306 ( 0.000 0.000 -1.744) 1.744 28.544 ( 0.000 0.000 3.528) 3.528 28.620 ( 0.000 0.000 -3.844) 3.844 31.323 ( 0.000 0.000 -0.010) 0.010 31.324 ( 0.000 0.000 -0.134) 0.134 31.392 ( 0.000 0.000 1.199) 1.199 31.408 ( 0.000 0.000 -0.307) 0.307 34.246 ( 0.000 0.000 3.777) 3.777 34.335 ( 0.000 0.000 -4.520) 4.520 34.560 ( 0.000 0.000 5.243) 5.243 34.599 ( 0.000 0.000 3.338) 3.338 34.961 ( 0.000 0.000 -4.450) 4.450 34.974 ( 0.000 0.000 -3.850) 3.850 35.141 ( 0.000 0.000 3.059) 3.059 35.191 ( 0.000 0.000 2.095) 2.095 35.203 ( 0.000 0.000 -2.874) 2.874 35.233 ( 0.000 0.000 -1.939) 1.939 35.665 ( 0.000 0.000 5.718) 5.718 35.765 ( 0.000 0.000 -4.179) 4.179 36.371 ( 0.000 0.000 0.819) 0.819 36.389 ( 0.000 0.000 -0.908) 0.908 37.445 ( 0.000 0.000 7.185) 7.185 37.608 ( 0.000 0.000 -8.510) 8.510 47.596 ( 0.000 0.000 1.554) 1.554 47.634 ( 0.000 0.000 -2.085) 2.085 47.792 ( 0.000 0.000 3.710) 3.710 47.864 ( 0.000 0.000 -3.230) 3.230 48.122 ( 0.000 0.000 1.190) 1.190 48.157 ( 0.000 0.000 -2.392) 2.392 48.540 ( 0.000 0.000 5.715) 5.715 48.645 ( 0.000 0.000 -4.580) 4.580 97.875 ( 0.000 0.000 0.248) 0.248 97.877 ( 0.000 0.000 0.039) 0.039 98.324 ( 0.000 0.000 2.943) 2.943 98.388 ( 0.000 0.000 -3.216) 3.216 99.636 ( 0.000 0.000 6.566) 6.566 99.778 ( 0.000 0.000 -7.088) 7.088 99.918 ( 0.000 0.000 3.789) 3.789 99.995 ( 0.000 0.000 -3.547) 3.547 104.765 ( 0.000 0.000 1.621) 1.621 104.788 ( 0.000 0.000 -0.693) 0.693 104.945 ( 0.000 0.000 1.035) 1.035 104.969 ( 0.000 0.000 -1.142) 1.142 105.095 ( 0.000 0.000 0.665) 0.665 105.118 ( 0.000 0.000 -1.620) 1.620 105.548 ( 0.000 0.000 6.766) 6.766 105.677 ( 0.000 0.000 -5.850) 5.850 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.185 ( 7.297 0.000 21.915) 23.097 1.310 ( 8.913 0.000 25.669) 27.172 1.604 ( 1.218 0.000 -19.359) 19.397 1.745 ( 16.389 0.000 -8.708) 18.559 2.033 ( 18.190 0.000 8.392) 20.032 2.306 ( 12.285 0.000 -10.123) 15.918 2.342 ( 4.042 0.000 2.321) 4.661 2.391 ( 6.116 0.000 -1.792) 6.373 2.558 ( 13.973 0.000 2.998) 14.291 2.612 ( 0.499 0.000 3.238) 3.277 2.705 ( 12.757 0.000 -8.790) 15.492 2.707 ( 0.306 0.000 -4.826) 4.835 2.824 ( 10.028 0.000 3.239) 10.538 2.898 ( 9.370 0.000 -4.251) 10.289 3.049 ( 0.014 0.000 6.533) 6.533 3.276 ( -2.452 0.000 -11.200) 11.466 3.296 ( 1.439 0.000 1.990) 2.456 3.412 ( 7.533 0.000 1.552) 7.691 3.422 ( 4.227 0.000 -7.147) 8.303 3.449 ( 6.590 0.000 -1.999) 6.887 3.754 ( 1.864 0.000 10.498) 10.663 3.836 ( 1.855 0.000 2.503) 3.115 3.848 ( 2.769 0.000 10.845) 11.193 3.964 ( 5.897 0.000 8.715) 10.523 3.976 ( 3.786 0.000 2.888) 4.761 4.090 ( -0.664 0.000 -8.697) 8.723 4.115 ( 2.108 0.000 -9.417) 9.650 4.177 ( 8.477 0.000 -11.526) 14.308 4.537 ( -3.955 0.000 -1.717) 4.312 4.551 ( -2.646 0.000 -2.615) 3.720 4.609 ( 1.214 0.000 3.503) 3.708 4.724 ( -0.671 0.000 -8.447) 8.473 5.301 ( 2.516 0.000 5.318) 5.883 5.354 ( 2.107 0.000 0.920) 2.299 5.543 ( -6.595 0.000 6.701) 9.402 5.602 ( -3.948 0.000 1.687) 4.293 5.703 ( -2.636 0.000 7.900) 8.328 5.753 ( -11.855 0.000 3.550) 12.375 5.794 ( -3.944 0.000 -1.360) 4.172 5.809 ( 0.236 0.000 -1.770) 1.785 5.834 ( -8.385 0.000 -3.472) 9.075 5.947 ( -4.449 0.000 -8.961) 10.004 6.069 ( -0.441 0.000 0.293) 0.529 6.158 ( 1.810 0.000 -5.861) 6.134 6.228 ( -1.922 0.000 7.589) 7.829 6.381 ( -4.992 0.000 -7.253) 8.805 6.526 ( -5.450 0.000 0.985) 5.538 6.551 ( -4.736 0.000 -1.486) 4.964 6.694 ( -7.189 0.000 4.220) 8.336 6.697 ( -3.058 0.000 5.171) 6.008 6.785 ( -4.417 0.000 -4.199) 6.094 6.847 ( -2.427 0.000 -7.203) 7.600 6.941 ( 4.456 0.000 8.678) 9.755 7.021 ( -8.024 0.000 4.659) 9.278 7.098 ( -5.934 0.000 -0.977) 6.014 7.117 ( 3.821 0.000 -8.271) 9.111 7.274 ( 0.831 0.000 1.347) 1.583 7.309 ( 1.518 0.000 -2.604) 3.014 7.312 ( -0.731 0.000 0.098) 0.737 7.364 ( -4.899 0.000 -4.160) 6.427 7.629 ( -3.508 0.000 4.969) 6.082 7.692 ( -7.450 0.000 -0.490) 7.466 7.860 ( -6.142 0.000 1.804) 6.401 7.916 ( -2.695 0.000 -3.220) 4.199 7.961 ( 2.474 0.000 8.541) 8.892 8.148 ( 0.909 0.000 -8.975) 9.021 8.375 ( -0.540 0.000 6.183) 6.207 8.474 ( -2.405 0.000 4.452) 5.060 8.489 ( -0.720 0.000 -4.924) 4.976 8.534 ( -2.387 0.000 0.041) 2.387 8.634 ( -1.438 0.000 0.470) 1.512 8.677 ( -1.038 0.000 -2.344) 2.563 9.419 ( -2.123 0.000 5.530) 5.924 9.445 ( -5.641 0.000 2.610) 6.216 9.505 ( -4.753 0.000 -2.918) 5.577 9.528 ( -2.286 0.000 -3.912) 4.530 9.603 ( 1.642 0.000 0.671) 1.774 9.641 ( 2.852 0.000 -2.184) 3.592 9.856 ( -4.724 0.000 5.171) 7.004 9.903 ( -5.122 0.000 1.705) 5.398 9.932 ( 1.706 0.000 2.697) 3.191 9.980 ( 3.346 0.000 -2.109) 3.955 10.214 ( -2.307 0.000 2.612) 3.485 10.259 ( -2.039 0.000 -1.830) 2.740 10.325 ( -1.429 0.000 0.625) 1.560 10.347 ( 0.695 0.000 -0.965) 1.189 10.609 ( 8.313 0.000 6.372) 10.474 10.791 ( 15.100 0.000 -13.167) 20.035 11.252 ( 0.693 0.000 5.135) 5.181 11.355 ( -0.850 0.000 -3.846) 3.938 11.641 ( -1.753 0.000 1.661) 2.414 11.712 ( 0.260 0.000 -4.264) 4.272 11.732 ( 1.684 0.000 2.465) 2.985 11.760 ( 6.683 0.000 -0.497) 6.702 11.953 ( 2.452 0.000 6.330) 6.789 12.120 ( -4.845 0.000 -9.536) 10.696 14.224 ( 6.013 0.000 0.127) 6.014 14.246 ( 6.198 0.000 -2.019) 6.519 14.465 ( 4.521 0.000 2.021) 4.952 14.491 ( 5.697 0.000 -0.697) 5.739 15.230 ( 0.637 0.000 4.632) 4.676 15.344 ( 1.311 0.000 -6.501) 6.631 15.463 ( -2.428 0.000 2.690) 3.624 15.472 ( -1.088 0.000 8.439) 8.508 15.510 ( -3.303 0.000 0.489) 3.339 15.520 ( -3.346 0.000 -0.755) 3.430 15.569 ( -3.763 0.000 -2.535) 4.537 15.656 ( -0.756 0.000 -9.384) 9.415 16.040 ( 0.754 0.000 8.626) 8.659 16.183 ( 0.038 0.000 1.958) 1.958 16.187 ( 0.259 0.000 2.003) 2.020 16.207 ( -3.641 0.000 -7.279) 8.139 16.219 ( 1.513 0.000 3.028) 3.385 16.306 ( 0.457 0.000 -3.751) 3.779 16.355 ( -8.737 0.000 11.801) 14.684 16.581 ( -2.206 0.000 -10.951) 11.171 17.308 ( 0.224 0.000 5.306) 5.310 17.349 ( 6.762 0.000 11.044) 12.950 17.413 ( 0.304 0.000 -4.790) 4.800 17.613 ( 0.075 0.000 4.589) 4.589 17.619 ( 6.817 0.000 -15.012) 16.487 17.705 ( -1.253 0.000 -4.198) 4.381 18.347 ( -10.964 0.000 5.089) 12.088 18.424 ( -9.004 0.000 -2.788) 9.425 19.839 ( 1.182 0.000 -0.104) 1.187 19.847 ( 1.020 0.000 -0.836) 1.319 19.976 ( 0.385 0.000 0.933) 1.009 19.985 ( 0.259 0.000 0.147) 0.297 21.133 ( 4.946 0.000 1.339) 5.124 21.162 ( 3.382 0.000 -1.454) 3.682 21.356 ( 3.841 0.000 6.235) 7.323 21.491 ( 3.698 0.000 -6.654) 7.613 22.363 ( -7.234 0.000 3.585) 8.074 22.436 ( -4.412 0.000 -3.469) 5.612 22.598 ( -1.288 0.000 5.470) 5.619 22.708 ( 2.701 0.000 -5.507) 6.134 23.689 ( 13.309 0.000 0.498) 13.318 23.700 ( 13.774 0.000 -0.546) 13.785 23.892 ( 21.978 0.000 1.642) 22.039 23.958 ( 24.968 0.000 -5.646) 25.598 26.223 ( -7.768 0.000 0.668) 7.797 26.236 ( -7.587 0.000 -0.562) 7.607 26.885 ( -10.790 0.000 0.970) 10.833 26.895 ( -9.705 0.000 -0.182) 9.706 28.295 ( 3.031 0.000 2.120) 3.699 28.331 ( 2.513 0.000 -1.392) 2.873 28.606 ( 6.151 0.000 6.490) 8.942 28.755 ( 9.517 0.000 -8.822) 12.977 31.315 ( -0.606 0.000 0.307) 0.679 31.321 ( -0.427 0.000 -0.325) 0.537 31.387 ( -0.546 0.000 1.212) 1.329 31.403 ( -0.525 0.000 -0.341) 0.626 34.212 ( -2.973 0.000 3.178) 4.351 34.277 ( -4.706 0.000 -2.635) 5.393 34.467 ( -7.295 0.000 5.885) 9.373 34.554 ( -6.880 0.000 -1.483) 7.038 34.926 ( 0.209 0.000 2.086) 2.097 35.000 ( 1.785 0.000 -4.216) 4.578 35.123 ( -0.342 0.000 1.460) 1.500 35.137 ( -1.091 0.000 0.100) 1.096 35.313 ( 6.586 0.000 0.237) 6.590 35.330 ( 7.253 0.000 -1.433) 7.393 35.595 ( -3.832 0.000 10.158) 10.857 35.774 ( -1.072 0.000 -8.060) 8.131 36.366 ( -0.392 0.000 0.734) 0.832 36.382 ( -0.574 0.000 -0.829) 1.008 37.390 ( -5.138 0.000 6.671) 8.420 37.541 ( -6.231 0.000 -7.875) 10.042 47.607 ( 1.022 0.000 1.468) 1.789 47.643 ( 0.823 0.000 -1.957) 2.123 47.789 ( -0.332 0.000 3.514) 3.530 47.857 ( -0.685 0.000 -3.063) 3.139 48.135 ( 1.281 0.000 0.946) 1.592 48.165 ( 0.720 0.000 -2.083) 2.205 48.514 ( -2.350 0.000 5.330) 5.825 48.609 ( -3.138 0.000 -3.846) 4.963 97.886 ( 1.017 0.000 0.183) 1.034 97.887 ( 1.018 0.000 0.076) 1.020 98.299 ( -2.350 0.000 2.723) 3.596 98.358 ( -2.810 0.000 -2.945) 4.070 99.621 ( -1.407 0.000 5.896) 6.062 99.736 ( -4.023 0.000 -4.476) 6.018 99.874 ( -3.709 0.000 2.315) 4.372 99.913 ( -5.844 0.000 -1.268) 5.980 104.767 ( 0.150 0.000 1.600) 1.607 104.791 ( 0.247 0.000 -0.811) 0.848 104.936 ( -0.897 0.000 1.148) 1.457 104.961 ( -0.751 0.000 -1.210) 1.424 105.095 ( -0.012 0.000 0.691) 0.691 105.116 ( -0.140 0.000 -1.344) 1.351 105.463 ( -7.438 0.000 6.473) 9.860 105.552 ( -8.801 0.000 -2.032) 9.032 ======================= Grid point 92 (33/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 11.347 0.000 14.159) 18.145 1.556 ( 14.665 0.000 18.797) 23.841 1.663 ( 4.155 0.000 -12.700) 13.362 1.997 ( 9.697 0.000 -22.731) 24.713 2.445 ( 5.829 0.000 5.935) 8.319 2.528 ( 20.763 0.000 9.733) 22.931 2.551 ( 8.753 0.000 -2.860) 9.209 2.598 ( 7.332 0.000 1.319) 7.449 2.663 ( 3.875 0.000 0.669) 3.933 2.747 ( 4.120 0.000 -4.971) 6.456 2.822 ( 11.481 0.000 -4.154) 12.209 2.925 ( 6.069 0.000 -10.687) 12.290 3.051 ( 9.960 0.000 4.809) 11.060 3.142 ( 12.467 0.000 -4.810) 13.363 3.185 ( 14.021 0.000 3.330) 14.411 3.287 ( 8.006 0.000 -6.426) 10.266 3.360 ( 5.297 0.000 6.989) 8.769 3.498 ( -1.200 0.000 4.114) 4.285 3.514 ( 4.133 0.000 -6.955) 8.090 3.579 ( 6.071 0.000 -3.072) 6.804 3.848 ( 5.872 0.000 3.752) 6.968 3.898 ( 3.106 0.000 5.989) 6.746 3.899 ( 3.694 0.000 0.262) 3.703 4.024 ( -0.798 0.000 -4.513) 4.583 4.109 ( 8.187 0.000 3.020) 8.726 4.211 ( 6.612 0.000 -6.555) 9.311 4.263 ( 17.441 0.000 3.380) 17.766 4.410 ( 13.468 0.000 -9.451) 16.453 4.446 ( -1.360 0.000 2.414) 2.770 4.513 ( -0.510 0.000 -4.423) 4.452 4.632 ( 0.531 0.000 2.250) 2.312 4.703 ( -0.830 0.000 -4.575) 4.650 5.359 ( -10.411 0.000 6.618) 12.337 5.370 ( 3.260 0.000 5.366) 6.279 5.398 ( 1.568 0.000 2.138) 2.651 5.447 ( -11.536 0.000 -1.767) 11.671 5.528 ( -7.937 0.000 4.603) 9.175 5.645 ( -8.926 0.000 -6.164) 10.847 5.681 ( 0.960 0.000 5.083) 5.173 5.711 ( -3.235 0.000 1.794) 3.699 5.755 ( -5.746 0.000 -0.883) 5.813 5.853 ( -2.867 0.000 -7.782) 8.293 6.081 ( -11.435 0.000 3.724) 12.026 6.091 ( 0.582 0.000 5.430) 5.461 6.160 ( -14.984 0.000 -4.163) 15.552 6.209 ( 2.873 0.000 -4.524) 5.359 6.418 ( -5.061 0.000 3.209) 5.993 6.453 ( -4.803 0.000 -0.638) 4.845 6.537 ( -6.114 0.000 2.018) 6.439 6.633 ( -9.398 0.000 -6.346) 11.340 6.637 ( -2.658 0.000 2.303) 3.516 6.736 ( -6.085 0.000 -5.508) 8.208 6.851 ( -8.193 0.000 4.765) 9.478 6.955 ( -7.803 0.000 -4.064) 8.798 7.077 ( 6.905 0.000 8.937) 11.294 7.169 ( -11.340 0.000 6.165) 12.907 7.209 ( 4.592 0.000 -2.912) 5.437 7.281 ( -4.662 0.000 -6.659) 8.129 7.324 ( 3.605 0.000 -0.368) 3.624 7.356 ( 2.968 0.000 -4.351) 5.267 7.521 ( -4.654 0.000 0.978) 4.755 7.535 ( -5.907 0.000 -0.292) 5.914 7.790 ( -1.172 0.000 4.214) 4.374 7.873 ( -1.597 0.000 -2.766) 3.194 8.025 ( 3.391 0.000 7.263) 8.016 8.174 ( 1.574 0.000 -6.000) 6.203 8.348 ( -2.155 0.000 4.730) 5.197 8.432 ( -1.624 0.000 4.317) 4.613 8.458 ( -2.351 0.000 -5.022) 5.545 8.506 ( -1.306 0.000 -0.747) 1.505 8.591 ( -2.848 0.000 -1.123) 3.062 8.628 ( -3.449 0.000 -2.934) 4.528 9.361 ( -2.356 0.000 2.702) 3.585 9.392 ( 0.032 0.000 4.035) 4.035 9.430 ( -2.281 0.000 -3.207) 3.935 9.488 ( -1.004 0.000 -5.078) 5.176 9.637 ( 1.080 0.000 3.145) 3.325 9.701 ( 1.852 0.000 -2.936) 3.471 9.731 ( -6.507 0.000 4.564) 7.948 9.772 ( -6.839 0.000 1.206) 6.945 9.967 ( 1.370 0.000 3.912) 4.145 10.040 ( 2.072 0.000 -3.317) 3.911 10.169 ( -1.313 0.000 2.134) 2.506 10.211 ( -1.958 0.000 -1.874) 2.710 10.228 ( -3.998 0.000 1.832) 4.398 10.263 ( -4.715 0.000 -1.359) 4.907 10.818 ( 4.921 0.000 6.523) 8.171 10.970 ( -2.219 0.000 -8.290) 8.582 11.266 ( 0.422 0.000 4.935) 4.953 11.318 ( -2.531 0.000 1.437) 2.911 11.620 ( -0.206 0.000 -0.460) 0.504 11.702 ( -1.019 0.000 -6.923) 6.997 11.711 ( 1.294 0.000 3.064) 3.326 11.804 ( -0.753 0.000 -5.323) 5.376 12.070 ( 5.814 0.000 3.477) 6.774 12.150 ( 6.669 0.000 -5.234) 8.478 14.380 ( 8.105 0.000 0.247) 8.109 14.400 ( 7.858 0.000 -1.660) 8.032 14.571 ( 4.982 0.000 2.475) 5.563 14.614 ( 5.371 0.000 -1.936) 5.709 15.251 ( 1.381 0.000 5.819) 5.980 15.379 ( 1.771 0.000 -5.094) 5.393 15.400 ( -3.466 0.000 1.309) 3.705 15.429 ( -4.756 0.000 0.213) 4.761 15.431 ( -4.000 0.000 0.207) 4.005 15.444 ( -1.280 0.000 6.721) 6.842 15.469 ( -5.145 0.000 -1.865) 5.472 15.631 ( -1.707 0.000 -9.848) 9.995 16.057 ( 1.389 0.000 4.850) 5.045 16.129 ( -2.330 0.000 -0.697) 2.432 16.177 ( -0.204 0.000 3.914) 3.919 16.197 ( 0.289 0.000 1.431) 1.460 16.259 ( 2.074 0.000 1.157) 2.375 16.269 ( -0.717 0.000 10.074) 10.100 16.317 ( 0.582 0.000 -3.477) 3.526 16.511 ( -4.089 0.000 -11.950) 12.631 17.323 ( 1.372 0.000 5.010) 5.194 17.419 ( 0.307 0.000 -4.040) 4.052 17.503 ( 7.354 0.000 9.336) 11.885 17.606 ( -0.868 0.000 2.587) 2.728 17.665 ( -2.520 0.000 -2.913) 3.851 17.738 ( 4.172 0.000 -12.293) 12.982 18.126 ( -9.388 0.000 3.317) 9.957 18.208 ( -10.414 0.000 -4.211) 11.233 19.860 ( 0.922 0.000 0.383) 0.998 19.870 ( 1.014 0.000 -0.584) 1.171 19.974 ( -0.584 0.000 1.031) 1.185 19.980 ( -0.734 0.000 0.576) 0.933 21.269 ( 6.820 0.000 0.491) 6.837 21.283 ( 9.208 0.000 -0.873) 9.249 21.479 ( 7.815 0.000 6.502) 10.166 21.623 ( 8.389 0.000 -7.743) 11.416 22.178 ( -10.162 0.000 5.784) 11.693 22.294 ( -8.926 0.000 -5.391) 10.427 22.544 ( -3.773 0.000 8.336) 9.150 22.704 ( -2.927 0.000 -7.432) 7.988 24.068 ( 22.184 0.000 0.941) 22.204 24.087 ( 22.538 0.000 -0.937) 22.557 24.471 ( 31.251 0.000 2.097) 31.322 24.552 ( 29.844 0.000 -6.477) 30.539 25.984 ( -15.063 0.000 0.900) 15.090 26.002 ( -14.790 0.000 -0.806) 14.812 26.595 ( -16.636 0.000 1.819) 16.735 26.622 ( -16.134 0.000 -0.973) 16.163 28.378 ( 4.541 0.000 1.642) 4.828 28.404 ( 4.113 0.000 -1.012) 4.236 28.758 ( 7.420 0.000 7.148) 10.303 28.926 ( 5.934 0.000 -9.610) 11.295 31.302 ( -0.525 0.000 0.482) 0.713 31.310 ( -0.528 0.000 -0.279) 0.597 31.369 ( -1.195 0.000 1.137) 1.650 31.384 ( -1.266 0.000 -0.365) 1.317 34.139 ( -3.566 0.000 2.223) 4.202 34.172 ( -4.813 0.000 -0.528) 4.842 34.296 ( -8.080 0.000 4.051) 9.038 34.358 ( -9.710 0.000 -1.148) 9.778 34.988 ( 4.493 0.000 2.800) 5.294 35.049 ( 2.685 0.000 -2.740) 3.836 35.140 ( 1.879 0.000 0.790) 2.038 35.146 ( 1.630 0.000 0.276) 1.653 35.462 ( 7.169 0.000 0.945) 7.231 35.488 ( 7.236 0.000 -1.546) 7.399 35.538 ( -1.806 0.000 9.052) 9.231 35.716 ( -3.996 0.000 -8.338) 9.246 36.364 ( 0.546 0.000 0.373) 0.661 36.373 ( 0.033 0.000 -0.507) 0.508 37.246 ( -8.123 0.000 5.288) 9.692 37.366 ( -9.958 0.000 -6.260) 11.762 47.636 ( 1.722 0.000 1.281) 2.146 47.667 ( 1.462 0.000 -1.654) 2.208 47.778 ( -0.681 0.000 2.967) 3.044 47.836 ( -1.313 0.000 -2.606) 2.918 48.175 ( 2.487 0.000 0.266) 2.501 48.188 ( 1.621 0.000 -1.119) 1.970 48.449 ( -3.689 0.000 4.470) 5.795 48.528 ( -4.445 0.000 -3.121) 5.432 97.917 ( 2.017 0.000 0.348) 2.047 97.922 ( 2.317 0.000 -0.159) 2.322 98.231 ( -3.973 0.000 2.190) 4.537 98.278 ( -4.629 0.000 -2.308) 5.172 99.584 ( -1.909 0.000 4.276) 4.683 99.635 ( -4.680 0.000 0.695) 4.731 99.791 ( -3.686 0.000 0.314) 3.700 99.810 ( -3.838 0.000 -2.201) 4.424 104.773 ( 0.518 0.000 1.507) 1.593 104.799 ( 0.554 0.000 -1.053) 1.190 104.910 ( -1.438 0.000 1.354) 1.975 104.938 ( -1.377 0.000 -1.288) 1.885 105.096 ( 0.146 0.000 0.966) 0.977 105.116 ( 0.271 0.000 -0.861) 0.903 105.304 ( -6.443 0.000 6.066) 8.850 105.388 ( -6.761 0.000 -2.213) 7.114 ======================= Grid point 93 (34/45) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.612 ( 9.053 0.000 6.897) 11.381 1.742 ( 2.479 0.000 -5.817) 6.323 1.893 ( 16.722 0.000 9.836) 19.400 2.194 ( 8.540 0.000 -18.319) 20.212 2.569 ( -6.837 0.000 0.259) 6.842 2.588 ( 7.470 0.000 6.195) 9.705 2.606 ( -6.712 0.000 -2.676) 7.226 2.714 ( 3.454 0.000 -5.360) 6.377 2.768 ( 8.991 0.000 4.472) 10.042 2.882 ( 8.270 0.000 -5.069) 9.700 3.015 ( 7.107 0.000 -2.101) 7.411 3.089 ( 4.207 0.000 -7.897) 8.948 3.153 ( -2.107 0.000 6.895) 7.209 3.250 ( -4.797 0.000 -4.018) 6.257 3.440 ( 6.318 0.000 2.084) 6.653 3.482 ( 8.737 0.000 -1.690) 8.899 3.562 ( 10.324 0.000 2.874) 10.717 3.599 ( 9.034 0.000 0.374) 9.041 3.626 ( 11.462 0.000 -2.128) 11.657 3.685 ( 5.900 0.000 -7.592) 9.615 3.930 ( -1.536 0.000 -0.778) 1.721 3.936 ( 0.423 0.000 -0.960) 1.049 3.995 ( 5.634 0.000 3.096) 6.428 4.042 ( 3.194 0.000 -0.888) 3.315 4.226 ( 2.203 0.000 3.183) 3.871 4.269 ( 2.944 0.000 -0.939) 3.090 4.535 ( 0.555 0.000 1.647) 1.739 4.587 ( -1.107 0.000 -1.927) 2.222 4.680 ( 15.250 0.000 3.045) 15.551 4.686 ( 21.494 0.000 0.291) 21.496 4.733 ( 17.495 0.000 -3.778) 17.899 4.762 ( 8.461 0.000 -3.377) 9.110 5.151 ( -8.275 0.000 4.739) 9.536 5.216 ( -9.167 0.000 -1.343) 9.265 5.379 ( -2.088 0.000 3.547) 4.116 5.384 ( -5.452 0.000 2.051) 5.825 5.415 ( -1.995 0.000 0.879) 2.180 5.493 ( -5.274 0.000 -6.901) 8.685 5.617 ( -7.023 0.000 6.579) 9.623 5.660 ( -2.539 0.000 5.220) 5.804 5.733 ( 1.533 0.000 -1.339) 2.036 5.757 ( -6.050 0.000 -5.263) 8.019 5.782 ( -16.768 0.000 0.754) 16.785 5.821 ( -15.761 0.000 -2.737) 15.997 6.094 ( 2.887 0.000 9.058) 9.507 6.272 ( 2.851 0.000 -3.889) 4.822 6.326 ( -3.065 0.000 4.837) 5.727 6.357 ( -3.942 0.000 1.521) 4.225 6.421 ( -8.047 0.000 -1.562) 8.198 6.501 ( -1.414 0.000 -6.092) 6.254 6.592 ( -1.479 0.000 -0.953) 1.760 6.631 ( -3.725 0.000 -3.791) 5.314 6.682 ( -6.758 0.000 3.553) 7.635 6.777 ( -7.567 0.000 -2.682) 8.028 6.980 ( -5.249 0.000 3.818) 6.491 7.127 ( -8.905 0.000 -9.511) 13.030 7.205 ( 5.193 0.000 7.891) 9.447 7.284 ( 2.090 0.000 2.130) 2.984 7.403 ( 3.428 0.000 -3.199) 4.689 7.420 ( 2.686 0.000 -4.349) 5.111 7.459 ( -1.322 0.000 1.678) 2.136 7.468 ( -1.588 0.000 -0.430) 1.645 7.785 ( 0.469 0.000 3.661) 3.691 7.841 ( -1.604 0.000 -0.796) 1.791 8.097 ( 3.544 0.000 6.537) 7.436 8.212 ( 1.603 0.000 -0.977) 1.878 8.289 ( -2.762 0.000 1.100) 2.973 8.392 ( -3.868 0.000 -5.215) 6.493 8.407 ( -0.674 0.000 2.994) 3.069 8.461 ( -2.788 0.000 -0.645) 2.861 8.528 ( -2.561 0.000 -2.242) 3.403 8.554 ( -3.178 0.000 -3.769) 4.930 9.344 ( 0.536 0.000 2.823) 2.874 9.400 ( -0.936 0.000 -1.969) 2.180 9.431 ( 3.681 0.000 2.335) 4.360 9.498 ( 2.067 0.000 -4.139) 4.627 9.611 ( -4.576 0.000 2.777) 5.352 9.622 ( -2.768 0.000 2.762) 3.911 9.635 ( -5.875 0.000 0.727) 5.920 9.679 ( -3.984 0.000 -2.713) 4.820 10.006 ( 2.716 0.000 3.238) 4.226 10.068 ( 0.770 0.000 -2.746) 2.852 10.164 ( 0.444 0.000 1.626) 1.686 10.189 ( -0.453 0.000 -0.660) 0.800 10.233 ( 4.549 0.000 0.855) 4.628 10.241 ( 4.319 0.000 -0.052) 4.319 10.708 ( -13.024 0.000 2.826) 13.327 10.764 ( -14.359 0.000 -2.446) 14.565 11.261 ( -1.007 0.000 3.401) 3.547 11.268 ( -1.735 0.000 3.309) 3.736 11.628 ( 0.794 0.000 -2.131) 2.274 11.677 ( -1.310 0.000 -6.247) 6.383 11.800 ( 6.047 0.000 2.950) 6.728 11.865 ( 4.539 0.000 -2.720) 5.292 12.174 ( 3.865 0.000 3.166) 4.996 12.246 ( 1.854 0.000 -3.769) 4.200 14.530 ( 5.739 0.000 0.393) 5.753 14.545 ( 5.410 0.000 -0.877) 5.481 14.657 ( 3.235 0.000 1.574) 3.597 14.696 ( 2.263 0.000 -2.074) 3.069 15.287 ( 2.029 0.000 7.154) 7.436 15.329 ( -2.818 0.000 1.050) 3.007 15.345 ( -3.191 0.000 0.756) 3.280 15.356 ( -2.750 0.000 -0.650) 2.826 15.375 ( -3.594 0.000 -1.360) 3.843 15.379 ( -1.837 0.000 7.299) 7.526 15.457 ( 2.612 0.000 -6.579) 7.078 15.584 ( -2.710 0.000 -9.820) 10.187 16.109 ( 3.065 0.000 2.062) 3.694 16.130 ( 2.012 0.000 -0.116) 2.016 16.178 ( 0.232 0.000 3.535) 3.542 16.195 ( -0.349 0.000 1.760) 1.794 16.271 ( 0.544 0.000 5.882) 5.907 16.298 ( 1.599 0.000 -0.030) 1.599 16.327 ( 0.220 0.000 -2.439) 2.449 16.415 ( -5.034 0.000 -7.589) 9.106 17.364 ( 2.457 0.000 3.460) 4.244 17.425 ( 0.157 0.000 -2.109) 2.115 17.579 ( -1.491 0.000 0.656) 1.629 17.606 ( -2.869 0.000 -1.705) 3.337 17.646 ( 6.315 0.000 6.386) 8.981 17.793 ( 1.124 0.000 -5.936) 6.042 17.968 ( -5.584 0.000 -0.297) 5.592 18.021 ( -7.203 0.000 -3.726) 8.109 19.879 ( 0.816 0.000 0.506) 0.960 19.886 ( 0.562 0.000 -0.228) 0.607 19.955 ( -0.999 0.000 1.041) 1.443 19.960 ( -1.040 0.000 0.608) 1.204 21.441 ( 9.487 0.000 2.725) 9.871 21.503 ( 11.281 0.000 -3.276) 11.747 21.665 ( 9.301 0.000 5.712) 10.915 21.793 ( 6.334 0.000 -6.971) 9.418 21.954 ( -10.748 0.000 6.227) 12.422 22.077 ( -11.557 0.000 -5.637) 12.859 22.463 ( -2.903 0.000 7.229) 7.790 22.602 ( -6.358 0.000 -6.397) 9.019 24.577 ( 25.907 0.000 1.228) 25.936 24.602 ( 26.072 0.000 -1.180) 26.099 25.125 ( 30.519 0.000 0.715) 30.527 25.160 ( 28.180 0.000 -2.909) 28.330 25.604 ( -21.196 0.000 1.156) 21.228 25.627 ( -20.972 0.000 -1.073) 20.999 26.201 ( -21.097 0.000 1.604) 21.158 26.231 ( -21.375 0.000 -1.337) 21.416 28.467 ( 3.570 0.000 1.204) 3.767 28.483 ( 2.950 0.000 -0.414) 2.979 28.892 ( 5.255 0.000 4.402) 6.855 28.995 ( 0.901 0.000 -5.655) 5.727 31.297 ( 0.162 0.000 0.552) 0.575 31.305 ( 0.219 0.000 -0.239) 0.324 31.339 ( -1.541 0.000 0.934) 1.802 31.352 ( -1.676 0.000 -0.351) 1.712 34.080 ( -1.844 0.000 1.529) 2.395 34.093 ( -2.584 0.000 0.392) 2.613 34.161 ( -4.525 0.000 1.933) 4.920 34.192 ( -5.957 0.000 -0.610) 5.988 35.076 ( 3.479 0.000 1.361) 3.736 35.100 ( 1.971 0.000 -0.794) 2.125 35.187 ( 2.147 0.000 0.574) 2.223 35.189 ( 2.046 0.000 0.377) 2.080 35.519 ( 0.096 0.000 4.652) 4.653 35.587 ( 4.436 0.000 0.749) 4.498 35.606 ( 3.706 0.000 -1.042) 3.850 35.625 ( -4.364 0.000 -5.537) 7.050 36.393 ( 1.882 0.000 0.110) 1.886 36.396 ( 2.259 0.000 -0.231) 2.271 37.082 ( -6.607 0.000 3.064) 7.283 37.156 ( -9.368 0.000 -3.988) 10.182 47.675 ( 1.845 0.000 1.149) 2.174 47.700 ( 1.442 0.000 -1.156) 1.849 47.763 ( -0.682 0.000 1.954) 2.069 47.804 ( -1.751 0.000 -1.939) 2.613 48.227 ( 2.572 0.000 0.595) 2.639 48.244 ( 3.664 0.000 -0.975) 3.791 48.368 ( -3.933 0.000 3.363) 5.174 48.430 ( -4.824 0.000 -2.610) 5.485 97.971 ( 3.192 0.000 0.659) 3.260 97.984 ( 3.587 0.000 -0.549) 3.629 98.141 ( -4.543 0.000 1.589) 4.813 98.174 ( -5.155 0.000 -1.613) 5.401 99.550 ( -1.202 0.000 2.863) 3.105 99.563 ( -2.224 0.000 2.098) 3.058 99.733 ( -1.755 0.000 -0.760) 1.913 99.748 ( -2.233 0.000 -2.417) 3.290 104.789 ( 0.961 0.000 1.259) 1.584 104.812 ( 0.509 0.000 -0.996) 1.119 104.882 ( -1.095 0.000 1.220) 1.639 104.906 ( -1.590 0.000 -1.141) 1.957 105.104 ( 0.702 0.000 1.604) 1.751 105.127 ( 0.673 0.000 -0.122) 0.684 105.209 ( -2.716 0.000 3.086) 4.111 105.271 ( -4.479 0.000 -2.435) 5.098 ======================= Grid point 94 (35/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -3.036 0.000 0.493) 3.076 1.740 ( 3.036 0.000 0.493) 3.076 2.206 ( -11.106 0.000 -1.399) 11.194 2.206 ( 11.106 0.000 -1.399) 11.194 2.483 ( -3.922 0.000 -5.961) 7.135 2.483 ( 3.922 0.000 -5.961) 7.135 2.711 ( -3.350 0.000 1.838) 3.821 2.711 ( 3.350 0.000 1.838) 3.821 2.991 ( -10.949 0.000 4.205) 11.728 2.991 ( 10.949 0.000 4.205) 11.728 3.077 ( -9.955 0.000 -3.936) 10.705 3.077 ( 9.955 0.000 -3.936) 10.705 3.100 ( -1.818 0.000 -4.076) 4.463 3.100 ( 1.818 0.000 -4.076) 4.463 3.523 ( -1.671 0.000 -2.078) 2.667 3.523 ( 1.671 0.000 -2.078) 2.667 3.741 ( -2.149 0.000 -0.562) 2.221 3.741 ( 2.149 0.000 -0.562) 2.221 3.781 ( -6.020 0.000 0.144) 6.022 3.781 ( 6.020 0.000 0.144) 6.022 3.861 ( -3.620 0.000 -5.420) 6.518 3.861 ( 3.620 0.000 -5.420) 6.518 4.087 ( -1.308 0.000 1.864) 2.278 4.087 ( 1.308 0.000 1.864) 2.278 4.303 ( -2.612 0.000 1.492) 3.008 4.303 ( 2.612 0.000 1.492) 3.008 4.522 ( -1.717 0.000 2.907) 3.376 4.522 ( 1.717 0.000 2.907) 3.376 4.916 ( -1.622 0.000 0.463) 1.687 4.916 ( 1.622 0.000 0.463) 1.687 5.023 ( -1.600 0.000 -1.366) 2.104 5.023 ( 1.600 0.000 -1.366) 2.104 5.093 ( -3.288 0.000 -2.849) 4.351 5.093 ( 3.288 0.000 -2.849) 4.351 5.294 ( -1.180 0.000 1.487) 1.898 5.294 ( 1.180 0.000 1.487) 1.898 5.376 ( -6.763 0.000 2.672) 7.271 5.376 ( 6.763 0.000 2.672) 7.271 5.543 ( -2.092 0.000 7.289) 7.583 5.543 ( 2.092 0.000 7.289) 7.583 5.577 ( -4.120 0.000 -4.726) 6.270 5.577 ( 4.120 0.000 -4.726) 6.270 5.737 ( -1.520 0.000 -1.304) 2.002 5.737 ( 1.520 0.000 -1.304) 2.002 6.236 ( -7.947 0.000 1.295) 8.052 6.236 ( 7.947 0.000 1.295) 8.052 6.304 ( -0.932 0.000 3.823) 3.935 6.304 ( 0.932 0.000 3.823) 3.935 6.378 ( -5.864 0.000 -1.921) 6.171 6.378 ( 5.864 0.000 -1.921) 6.171 6.583 ( -0.826 0.000 -2.644) 2.771 6.583 ( 0.826 0.000 -2.644) 2.771 6.676 ( -3.133 0.000 -0.012) 3.133 6.676 ( 3.133 0.000 -0.012) 3.133 6.971 ( -4.536 0.000 -5.125) 6.844 6.971 ( 4.536 0.000 -5.125) 6.844 7.284 ( -2.095 0.000 5.637) 6.013 7.284 ( 2.095 0.000 5.637) 6.013 7.447 ( -0.431 0.000 -4.262) 4.284 7.447 ( 0.431 0.000 -4.262) 4.284 7.450 ( -0.300 0.000 1.098) 1.138 7.450 ( 0.300 0.000 1.098) 1.138 7.807 ( -1.510 0.000 1.540) 2.157 7.807 ( 1.510 0.000 1.540) 2.157 8.176 ( -3.906 0.000 6.616) 7.683 8.176 ( 3.906 0.000 6.616) 7.683 8.309 ( -3.652 0.000 -5.740) 6.803 8.309 ( 3.652 0.000 -5.740) 6.803 8.413 ( -1.437 0.000 0.605) 1.559 8.413 ( 1.437 0.000 0.605) 1.559 8.509 ( -0.858 0.000 -3.090) 3.207 8.509 ( 0.858 0.000 -3.090) 3.207 9.373 ( -1.785 0.000 0.936) 2.016 9.373 ( 1.785 0.000 0.936) 2.016 9.529 ( -4.738 0.000 1.372) 4.933 9.529 ( 4.738 0.000 1.372) 4.933 9.562 ( -0.497 0.000 0.786) 0.930 9.562 ( 0.497 0.000 0.786) 0.930 9.576 ( -4.388 0.000 -2.556) 5.079 9.576 ( 4.388 0.000 -2.556) 5.079 10.060 ( -1.766 0.000 0.804) 1.940 10.060 ( 1.766 0.000 0.804) 1.940 10.178 ( -0.716 0.000 0.362) 0.803 10.178 ( 0.716 0.000 0.362) 0.803 10.394 ( -5.479 0.000 1.108) 5.590 10.394 ( 5.479 0.000 1.108) 5.590 10.471 ( -6.654 0.000 -0.286) 6.660 10.471 ( 6.654 0.000 -0.286) 6.660 11.248 ( -0.292 0.000 2.794) 2.809 11.248 ( 0.292 0.000 2.794) 2.809 11.650 ( -1.249 0.000 -3.929) 4.123 11.650 ( 1.249 0.000 -3.929) 4.123 11.898 ( -2.046 0.000 1.616) 2.607 11.898 ( 2.046 0.000 1.616) 2.607 12.237 ( -2.133 0.000 -0.732) 2.255 12.237 ( 2.133 0.000 -0.732) 2.255 14.599 ( -0.518 0.000 0.352) 0.627 14.599 ( 0.518 0.000 0.352) 0.627 14.705 ( -1.234 0.000 -0.912) 1.535 14.705 ( 1.234 0.000 -0.912) 1.535 15.303 ( -0.518 0.000 1.151) 1.262 15.303 ( 0.518 0.000 1.151) 1.262 15.331 ( -0.458 0.000 -1.314) 1.391 15.331 ( 0.458 0.000 -1.314) 1.391 15.333 ( -2.342 0.000 8.170) 8.499 15.333 ( 2.342 0.000 8.170) 8.499 15.521 ( -3.231 0.000 -9.040) 9.600 15.521 ( 3.231 0.000 -9.040) 9.600 16.156 ( -0.861 0.000 1.105) 1.401 16.156 ( 0.861 0.000 1.105) 1.401 16.186 ( -0.493 0.000 2.607) 2.653 16.186 ( 0.493 0.000 2.607) 2.653 16.314 ( -4.073 0.000 -1.417) 4.312 16.314 ( 4.073 0.000 -1.417) 4.312 16.322 ( -0.679 0.000 -1.240) 1.414 16.322 ( 0.679 0.000 -1.240) 1.414 17.412 ( -1.674 0.000 0.933) 1.917 17.412 ( 1.674 0.000 0.933) 1.917 17.564 ( -0.665 0.000 -0.857) 1.085 17.564 ( 0.665 0.000 -0.857) 1.085 17.762 ( -4.378 0.000 2.787) 5.190 17.762 ( 4.378 0.000 2.787) 5.190 17.923 ( -1.775 0.000 -4.298) 4.650 17.923 ( 1.775 0.000 -4.298) 4.650 19.891 ( -0.228 0.000 0.255) 0.342 19.891 ( 0.228 0.000 0.255) 0.342 19.945 ( -0.169 0.000 0.744) 0.763 19.945 ( 0.169 0.000 0.744) 0.763 21.630 ( -5.531 0.000 1.804) 5.818 21.630 ( 5.531 0.000 1.804) 5.818 21.821 ( -4.174 0.000 0.605) 4.218 21.821 ( 4.174 0.000 0.605) 4.218 21.850 ( -7.065 0.000 -1.777) 7.285 21.850 ( 7.065 0.000 -1.777) 7.285 22.476 ( -4.418 0.000 -0.847) 4.499 22.476 ( 4.418 0.000 -0.847) 4.499 25.116 ( -24.874 0.000 1.277) 24.907 25.116 ( 24.874 0.000 1.277) 24.907 25.142 ( -24.822 0.000 -1.205) 24.851 25.142 ( 24.822 0.000 -1.205) 24.851 25.678 ( -4.346 0.000 -0.546) 4.381 25.678 ( 4.346 0.000 -0.546) 4.381 25.766 ( -5.196 0.000 -0.118) 5.197 25.766 ( 5.196 0.000 -0.118) 5.197 28.511 ( -0.433 0.000 0.498) 0.660 28.511 ( 0.433 0.000 0.498) 0.660 28.974 ( -2.630 0.000 -0.430) 2.665 28.974 ( 2.630 0.000 -0.430) 2.665 31.310 ( -1.088 0.000 0.698) 1.292 31.310 ( 1.088 0.000 0.698) 1.292 31.321 ( -1.226 0.000 -0.296) 1.261 31.321 ( 1.226 0.000 -0.296) 1.261 34.065 ( -0.270 0.000 0.950) 0.988 34.065 ( 0.270 0.000 0.950) 0.988 34.119 ( -0.775 0.000 0.325) 0.841 34.119 ( 0.775 0.000 0.325) 0.841 35.119 ( -0.465 0.000 0.537) 0.711 35.119 ( 0.465 0.000 0.537) 0.711 35.213 ( -0.047 0.000 0.469) 0.471 35.213 ( 0.047 0.000 0.469) 0.471 35.548 ( -2.739 0.000 -0.870) 2.874 35.548 ( 2.739 0.000 -0.870) 2.874 35.639 ( -0.488 0.000 -0.093) 0.497 35.639 ( 0.488 0.000 -0.093) 0.497 36.426 ( -0.319 0.000 0.049) 0.323 36.426 ( 0.319 0.000 0.049) 0.323 37.024 ( -2.029 0.000 -0.571) 2.107 37.024 ( 2.029 0.000 -0.571) 2.107 47.707 ( -0.975 0.000 0.752) 1.232 47.707 ( 0.975 0.000 0.752) 1.232 47.768 ( -1.394 0.000 -0.745) 1.580 47.768 ( 1.394 0.000 -0.745) 1.580 48.289 ( -3.306 0.000 2.005) 3.867 48.289 ( 3.306 0.000 2.005) 3.867 48.332 ( -4.415 0.000 -1.849) 4.787 48.332 ( 4.415 0.000 -1.849) 4.787 98.048 ( -4.014 0.000 1.024) 4.142 98.048 ( 4.014 0.000 1.024) 4.142 98.071 ( -4.508 0.000 -0.980) 4.613 98.071 ( 4.508 0.000 -0.980) 4.613 99.539 ( -0.209 0.000 2.303) 2.312 99.539 ( 0.209 0.000 2.302) 2.312 99.719 ( -0.394 0.000 -1.689) 1.734 99.719 ( 0.394 0.000 -1.689) 1.734 104.809 ( -0.809 0.000 0.436) 0.919 104.809 ( 0.809 0.000 0.436) 0.919 104.878 ( -0.849 0.000 -0.298) 0.900 104.878 ( 0.849 0.000 -0.298) 0.900 105.124 ( -1.018 0.000 2.099) 2.332 105.124 ( 1.018 0.000 2.099) 2.332 105.202 ( -1.997 0.000 -1.370) 2.422 105.202 ( 1.997 0.000 -1.370) 2.422 ======================= Grid point 99 (36/45) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.000 7.560 22.664) 23.892 1.292 ( 0.000 10.575 24.285) 26.488 1.553 ( 0.000 7.871 3.703) 8.698 1.739 ( 0.000 10.665 -19.828) 22.514 1.869 ( 0.000 4.527 -2.945) 5.401 1.982 ( 0.000 -12.986 -7.896) 15.198 2.208 ( 0.000 -11.135 6.737) 13.015 2.369 ( 0.000 2.936 -1.137) 3.148 2.379 ( 0.000 4.157 -2.958) 5.102 2.436 ( 0.000 -9.953 -11.219) 14.998 2.653 ( 0.000 -3.550 1.953) 4.052 2.694 ( 0.000 -1.728 -1.790) 2.488 2.729 ( 0.000 -2.717 -0.498) 2.763 2.776 ( 0.000 0.805 -4.435) 4.508 3.081 ( 0.000 -0.030 2.729) 2.729 3.245 ( 0.000 -5.215 -12.139) 13.212 3.289 ( 0.000 4.418 5.876) 7.352 3.374 ( 0.000 2.564 1.261) 2.857 3.397 ( 0.000 2.664 -4.530) 5.255 3.407 ( 0.000 5.992 -0.822) 6.048 3.667 ( 0.000 -3.610 9.613) 10.268 3.776 ( 0.000 -0.536 6.758) 6.779 3.854 ( 0.000 0.397 -1.357) 1.414 3.889 ( 0.000 -9.847 -10.757) 14.583 4.005 ( 0.000 7.577 4.332) 8.728 4.064 ( 0.000 -0.332 -1.327) 1.368 4.108 ( 0.000 9.907 6.767) 11.997 4.272 ( 0.000 7.039 -7.747) 10.467 4.526 ( 0.000 -5.844 -2.013) 6.181 4.527 ( 0.000 -4.140 -2.503) 4.838 4.651 ( 0.000 5.097 6.475) 8.240 4.774 ( 0.000 2.643 -5.524) 6.124 5.295 ( 0.000 2.201 3.591) 4.212 5.337 ( 0.000 1.032 1.141) 1.539 5.623 ( 0.000 0.143 6.940) 6.942 5.693 ( 0.000 2.785 1.830) 3.332 5.729 ( 0.000 -0.788 2.549) 2.668 5.783 ( 0.000 -1.596 -4.870) 5.125 5.810 ( 0.000 0.010 5.716) 5.716 5.842 ( 0.000 -7.193 -1.347) 7.318 5.872 ( 0.000 -0.439 -0.406) 0.598 5.986 ( 0.000 -4.215 -11.638) 12.377 6.128 ( 0.000 7.286 2.290) 7.637 6.193 ( 0.000 3.664 -1.857) 4.107 6.229 ( 0.000 2.066 7.387) 7.671 6.451 ( 0.000 2.001 -11.627) 11.798 6.569 ( 0.000 -3.565 0.895) 3.676 6.602 ( 0.000 -1.714 0.543) 1.798 6.719 ( 0.000 -4.620 1.967) 5.022 6.733 ( 0.000 -8.329 2.057) 8.580 6.776 ( 0.000 0.230 0.322) 0.396 6.787 ( 0.000 -1.797 -2.966) 3.468 6.934 ( 0.000 -0.557 -2.337) 2.403 6.991 ( 0.000 -3.776 -4.933) 6.212 7.116 ( 0.000 -4.587 2.256) 5.112 7.138 ( 0.000 -5.490 0.226) 5.495 7.273 ( 0.000 3.365 2.828) 4.396 7.291 ( 0.000 0.821 1.461) 1.676 7.392 ( 0.000 7.201 -1.570) 7.370 7.424 ( 0.000 1.565 -4.090) 4.380 7.635 ( 0.000 -1.973 6.645) 6.932 7.739 ( 0.000 -3.087 -3.659) 4.787 7.921 ( 0.000 0.729 1.742) 1.888 7.965 ( 0.000 0.451 -0.519) 0.688 8.062 ( 0.000 8.197 2.614) 8.604 8.202 ( 0.000 5.330 -10.637) 11.898 8.326 ( 0.000 -4.129 5.806) 7.125 8.439 ( 0.000 -6.233 -5.989) 8.644 8.522 ( 0.000 0.492 4.855) 4.880 8.570 ( 0.000 -1.444 2.092) 2.542 8.634 ( 0.000 -1.931 -0.812) 2.095 8.636 ( 0.000 -3.486 -2.495) 4.287 9.311 ( 0.000 -5.494 1.616) 5.727 9.378 ( 0.000 -7.994 -4.547) 9.197 9.556 ( 0.000 -0.004 2.162) 2.162 9.600 ( 0.000 -0.391 -2.155) 2.190 9.758 ( 0.000 3.466 1.969) 3.986 9.766 ( 0.000 10.929 3.326) 11.424 9.835 ( 0.000 -3.141 1.137) 3.340 9.902 ( 0.000 3.182 -3.527) 4.750 10.008 ( 0.000 2.215 3.410) 4.066 10.011 ( 0.000 4.034 2.159) 4.575 10.225 ( 0.000 1.956 1.433) 2.425 10.251 ( 0.000 1.109 1.885) 2.187 10.255 ( 0.000 0.778 -0.979) 1.250 10.281 ( 0.000 0.001 -1.210) 1.210 10.516 ( 0.000 -4.887 3.498) 6.010 10.567 ( 0.000 -6.984 -1.332) 7.110 11.308 ( 0.000 5.651 5.718) 8.039 11.450 ( 0.000 5.835 -7.805) 9.745 11.614 ( 0.000 -2.804 -0.439) 2.838 11.617 ( 0.000 -2.017 -0.318) 2.042 11.721 ( 0.000 2.893 2.101) 3.575 11.766 ( 0.000 5.082 -2.581) 5.700 11.955 ( 0.000 -1.533 9.072) 9.201 12.161 ( 0.000 -3.038 -10.728) 11.149 14.156 ( 0.000 -0.184 -0.270) 0.327 14.170 ( 0.000 -0.437 -1.707) 1.762 14.396 ( 0.000 -1.378 1.484) 2.025 14.405 ( 0.000 -1.356 0.619) 1.491 15.271 ( 0.000 4.027 3.159) 5.119 15.357 ( 0.000 2.172 -4.852) 5.316 15.481 ( 0.000 -0.766 2.062) 2.200 15.481 ( 0.000 -0.174 4.034) 4.037 15.542 ( 0.000 -0.560 0.364) 0.667 15.550 ( 0.000 -0.297 -2.412) 2.430 15.638 ( 0.000 2.560 -0.622) 2.635 15.689 ( 0.000 1.783 -5.847) 6.113 16.009 ( 0.000 -1.328 8.398) 8.502 16.119 ( 0.000 -4.750 -0.686) 4.799 16.153 ( 0.000 -2.092 0.618) 2.182 16.200 ( 0.000 -3.709 -4.942) 6.179 16.261 ( 0.000 5.242 6.353) 8.236 16.372 ( 0.000 5.268 -4.867) 7.172 16.555 ( 0.000 0.227 1.206) 1.227 16.578 ( 0.000 0.761 -0.978) 1.239 17.260 ( 0.000 -0.271 10.402) 10.405 17.303 ( 0.000 -0.439 5.704) 5.721 17.435 ( 0.000 1.996 -6.881) 7.165 17.514 ( 0.000 -0.769 -13.934) 13.956 17.669 ( 0.000 6.013 6.071) 8.544 17.787 ( 0.000 6.925 -5.123) 8.614 18.385 ( 0.000 -12.096 3.921) 12.715 18.416 ( 0.000 -8.132 1.004) 8.193 19.822 ( 0.000 0.077 -0.185) 0.201 19.833 ( 0.000 -0.162 -1.149) 1.160 19.964 ( 0.000 -0.347 0.797) 0.869 19.971 ( 0.000 -0.648 0.172) 0.671 21.109 ( 0.000 2.708 1.754) 3.226 21.143 ( 0.000 1.471 -1.492) 2.095 21.305 ( 0.000 -1.047 5.364) 5.466 21.422 ( 0.000 -3.689 -5.721) 6.807 22.473 ( 0.000 1.543 0.184) 1.554 22.479 ( 0.000 0.958 -0.350) 1.019 22.590 ( 0.000 -2.011 2.014) 2.846 22.621 ( 0.000 -2.109 -1.069) 2.364 23.551 ( 0.000 0.288 -0.036) 0.290 23.554 ( 0.000 0.493 -0.413) 0.643 23.653 ( 0.000 0.305 0.332) 0.451 23.665 ( 0.000 0.024 -0.873) 0.873 26.309 ( 0.000 0.398 0.562) 0.689 26.319 ( 0.000 0.266 -0.395) 0.476 26.982 ( 0.000 -2.087 0.664) 2.190 26.985 ( 0.000 -1.514 0.191) 1.526 28.281 ( 0.000 1.857 2.519) 3.129 28.323 ( 0.000 1.632 -1.561) 2.258 28.516 ( 0.000 -2.686 2.446) 3.632 28.553 ( 0.000 -5.699 -0.675) 5.739 31.319 ( 0.000 -0.301 0.259) 0.397 31.323 ( 0.000 -0.138 -0.212) 0.253 31.390 ( 0.000 -0.174 1.035) 1.050 31.403 ( 0.000 -0.476 -0.177) 0.508 34.251 ( 0.000 0.613 3.475) 3.528 34.322 ( 0.000 -1.197 -2.513) 2.784 34.550 ( 0.000 -0.815 4.448) 4.522 34.593 ( 0.000 -0.706 2.653) 2.745 34.923 ( 0.000 -3.351 -2.533) 4.201 34.949 ( 0.000 -2.820 -2.074) 3.500 35.109 ( 0.000 -2.424 4.159) 4.814 35.193 ( 0.000 -1.402 -3.717) 3.972 35.205 ( 0.000 1.476 1.641) 2.207 35.235 ( 0.000 0.535 -1.322) 1.426 35.486 ( 0.000 -12.931 4.339) 13.639 35.519 ( 0.000 -10.012 0.897) 10.052 36.606 ( 0.000 18.564 6.995) 19.838 36.820 ( 0.000 26.757 -15.290) 30.818 37.397 ( 0.000 -4.958 7.803) 9.245 37.577 ( 0.000 -3.290 -9.566) 10.116 47.629 ( 0.000 2.585 -0.177) 2.591 47.648 ( 0.000 1.241 -1.716) 2.118 47.790 ( 0.000 -0.219 2.775) 2.784 47.843 ( 0.000 -1.878 -2.299) 2.969 48.142 ( 0.000 1.910 1.250) 2.283 48.178 ( 0.000 1.708 -2.380) 2.930 48.538 ( 0.000 -0.027 4.807) 4.807 48.625 ( 0.000 -1.901 -3.563) 4.038 97.894 ( 0.000 1.619 0.709) 1.767 97.903 ( 0.000 1.892 -0.099) 1.895 98.412 ( 0.000 7.585 -1.079) 7.662 98.439 ( 0.000 4.701 -2.767) 5.455 99.630 ( 0.000 -0.304 5.900) 5.908 99.761 ( 0.000 -1.778 -6.719) 6.950 99.877 ( 0.000 -3.598 3.691) 5.154 99.937 ( 0.000 -4.986 -1.705) 5.270 104.777 ( 0.000 1.114 1.668) 2.006 104.799 ( 0.000 0.982 -0.611) 1.156 104.951 ( 0.000 0.478 0.683) 0.834 104.966 ( 0.000 -0.330 -0.696) 0.770 105.101 ( 0.000 0.572 0.255) 0.627 105.113 ( 0.000 -0.353 -1.069) 1.126 105.498 ( 0.000 -4.488 4.978) 6.703 105.563 ( 0.000 -9.225 -0.655) 9.248 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 6.562 3.600 22.917) 24.108 1.415 ( 6.287 17.006 16.278) 24.366 1.733 ( 8.171 5.032 -11.674) 15.112 1.756 ( 5.962 7.400 -15.737) 18.384 1.983 ( 15.054 -4.484 6.786) 17.111 2.145 ( 17.240 -7.345 -5.953) 19.663 2.319 ( 6.967 -5.878 3.828) 9.887 2.421 ( 5.799 0.889 -4.383) 7.323 2.534 ( 11.413 1.963 0.630) 11.597 2.622 ( 9.668 -2.497 -5.383) 11.344 2.637 ( 7.156 -4.282 -0.627) 8.363 2.714 ( 2.061 -3.819 -4.796) 6.468 2.810 ( 6.950 -2.612 1.309) 7.539 2.855 ( 5.171 -2.696 -2.582) 6.378 3.064 ( 0.680 0.566 2.194) 2.365 3.217 ( -2.014 -4.620 -10.276) 11.445 3.336 ( 3.807 5.150 4.602) 7.887 3.431 ( 4.530 3.213 -3.926) 6.801 3.483 ( 8.892 4.309 1.047) 9.936 3.523 ( 6.709 6.139 -2.217) 9.360 3.701 ( 4.919 -2.717 8.733) 10.385 3.830 ( 4.487 -0.974 2.938) 5.451 3.884 ( 2.357 2.279 0.177) 3.283 3.910 ( 2.126 -7.307 -7.769) 10.876 4.029 ( 3.234 5.063 5.289) 8.005 4.104 ( 2.766 3.352 1.195) 4.507 4.124 ( 3.537 2.375 2.734) 5.062 4.286 ( 1.784 6.371 -8.516) 10.783 4.491 ( -3.124 -4.480 -1.136) 5.579 4.506 ( -1.948 -3.605 -2.860) 4.997 4.654 ( 0.286 4.158 5.676) 7.042 4.768 ( -0.624 2.921 -5.211) 6.006 5.317 ( 2.013 1.915 4.712) 5.470 5.373 ( 3.212 1.957 0.505) 3.795 5.537 ( -6.995 -0.307 6.905) 9.834 5.626 ( -5.880 1.804 0.066) 6.151 5.682 ( -5.460 -2.134 3.037) 6.602 5.708 ( -4.927 -3.751 0.630) 6.225 5.769 ( -5.741 -2.852 2.978) 7.068 5.805 ( -6.052 -1.302 -2.031) 6.515 5.832 ( -1.347 2.399 -1.174) 2.991 5.944 ( -3.856 -3.209 -10.444) 11.586 6.039 ( -2.845 2.125 5.121) 6.232 6.161 ( -2.212 0.696 -6.362) 6.772 6.266 ( -0.849 2.547 6.231) 6.785 6.408 ( -5.789 1.158 -7.432) 9.491 6.494 ( -6.309 -3.376 2.328) 7.524 6.516 ( -4.234 -3.091 -0.811) 5.305 6.674 ( -3.609 -0.507 0.820) 3.735 6.737 ( -2.298 -0.285 -0.583) 2.388 6.754 ( -0.664 -3.019 2.001) 3.682 6.812 ( -3.933 -2.670 -5.871) 7.554 6.914 ( 2.560 -0.540 3.558) 4.417 6.984 ( -3.462 -2.692 0.651) 4.433 7.078 ( -1.640 -2.959 0.768) 3.469 7.122 ( -1.783 -3.095 -2.127) 4.157 7.224 ( -2.252 0.520 2.469) 3.382 7.266 ( -1.835 -1.380 -1.736) 2.878 7.381 ( -1.050 4.450 -0.825) 4.646 7.404 ( -1.474 3.080 -3.457) 4.859 7.612 ( -2.899 -1.962 4.083) 5.378 7.688 ( -5.709 -1.780 -3.210) 6.787 7.846 ( -5.990 -1.914 1.053) 6.376 7.857 ( -7.524 -1.260 2.012) 7.890 8.085 ( 2.445 8.729 3.626) 9.763 8.205 ( 1.154 5.145 -7.126) 8.864 8.327 ( 0.075 -2.705 3.488) 4.414 8.414 ( -1.209 -4.900 -4.238) 6.591 8.513 ( -1.068 0.850 4.344) 4.553 8.576 ( 0.397 2.354 1.694) 2.927 8.631 ( -0.104 -2.146 -2.207) 3.080 8.653 ( 0.749 -0.482 -1.411) 1.669 9.287 ( -1.938 -5.447 1.296) 5.925 9.349 ( -2.391 -7.561 -4.336) 9.038 9.547 ( -2.159 2.022 3.598) 4.658 9.589 ( -1.548 1.643 -0.561) 2.326 9.675 ( -1.305 3.647 0.602) 3.920 9.691 ( -4.057 3.384 -0.691) 5.328 9.815 ( -2.139 -1.441 4.341) 5.049 9.875 ( -3.755 1.067 -0.435) 3.928 9.982 ( -0.861 2.026 3.160) 3.851 10.014 ( 1.327 1.998 -0.741) 2.510 10.225 ( -1.894 1.057 2.280) 3.146 10.257 ( -1.987 -0.085 -0.871) 2.172 10.324 ( -3.267 -0.187 0.697) 3.345 10.346 ( -1.034 -0.080 -1.160) 1.556 10.592 ( 11.131 -1.312 5.121) 12.322 10.722 ( 17.386 -5.459 -8.357) 20.048 11.314 ( 0.599 5.684 5.574) 7.983 11.433 ( -1.571 6.007 -5.109) 8.041 11.641 ( -1.132 -0.005 1.666) 2.014 11.663 ( 2.306 -2.401 0.223) 3.337 11.738 ( 4.762 -1.753 1.086) 5.190 11.801 ( -0.628 4.532 -5.066) 6.826 11.916 ( 0.649 -3.638 6.701) 7.652 12.089 ( -5.214 -3.039 -9.790) 11.501 14.223 ( 6.125 -0.031 -0.086) 6.125 14.242 ( 6.277 -0.393 -1.908) 6.573 14.448 ( 4.495 -1.358 1.853) 5.048 14.468 ( 5.317 -1.851 -0.220) 5.635 15.280 ( 0.844 4.258 3.588) 5.632 15.373 ( 1.408 2.280 -4.709) 5.418 15.453 ( -2.377 -0.729 1.459) 2.883 15.464 ( -1.624 -0.469 3.125) 3.553 15.504 ( -3.240 -0.418 0.582) 3.318 15.514 ( -3.206 -0.354 -1.882) 3.734 15.607 ( -2.837 3.276 0.308) 4.345 15.682 ( -0.695 1.860 -6.528) 6.823 16.023 ( 1.051 -1.213 7.047) 7.228 16.120 ( -0.289 -4.162 -0.859) 4.259 16.157 ( 0.501 -1.861 2.001) 2.778 16.212 ( 1.079 -1.930 -1.871) 2.897 16.255 ( -0.933 3.927 3.852) 5.580 16.339 ( -2.505 3.338 -1.776) 4.536 16.407 ( -7.698 3.464 6.438) 10.616 16.567 ( -3.067 -1.541 -7.940) 8.650 17.309 ( 0.810 0.083 6.004) 6.059 17.337 ( 6.104 -0.964 10.244) 11.964 17.440 ( 0.480 2.337 -6.376) 6.808 17.590 ( 5.144 -2.232 -13.413) 14.538 17.669 ( -0.072 5.710 4.839) 7.485 17.775 ( -0.992 6.457 -5.312) 8.420 18.261 ( -9.078 -8.337 5.065) 13.326 18.340 ( -7.470 -7.821 -2.537) 11.109 19.838 ( 1.152 -0.089 -0.112) 1.160 19.844 ( 0.992 -0.214 -0.739) 1.256 19.970 ( 0.310 -0.474 0.804) 0.983 19.975 ( 0.207 -0.756 0.389) 0.875 21.158 ( 4.615 2.299 0.968) 5.246 21.176 ( 3.249 1.311 -0.814) 3.597 21.348 ( 4.215 -0.651 5.268) 6.778 21.463 ( 4.406 -2.688 -5.667) 7.665 22.379 ( -6.888 1.590 3.825) 8.038 22.456 ( -4.222 1.885 -3.455) 5.772 22.567 ( -1.382 -2.740 5.249) 6.080 22.676 ( 2.122 -3.038 -5.321) 6.484 23.694 ( 13.345 0.477 0.348) 13.358 23.703 ( 13.706 0.283 -0.502) 13.718 23.892 ( 21.724 0.012 1.199) 21.757 23.942 ( 23.953 -1.423 -4.214) 24.362 26.227 ( -7.775 0.390 0.625) 7.810 26.239 ( -7.654 0.202 -0.452) 7.670 26.870 ( -10.086 -1.266 1.209) 10.237 26.882 ( -9.438 -1.208 -0.170) 9.516 28.315 ( 3.171 2.035 2.205) 4.366 28.351 ( 2.744 1.945 -1.263) 3.593 28.570 ( 5.650 -3.416 5.298) 8.465 28.676 ( 8.722 -6.926 -5.231) 12.305 31.313 ( -0.483 -0.139 0.355) 0.616 31.319 ( -0.387 -0.162 -0.270) 0.499 31.384 ( -0.622 -0.251 1.057) 1.252 31.397 ( -0.591 -0.552 -0.210) 0.836 34.217 ( -3.031 0.533 2.938) 4.255 34.270 ( -4.355 -0.716 -1.426) 4.638 34.451 ( -7.421 -1.174 5.105) 9.084 34.526 ( -7.540 -2.511 -0.860) 7.993 34.910 ( 2.070 -0.739 3.473) 4.110 34.998 ( 2.612 -0.068 -4.419) 5.133 35.142 ( 2.272 0.453 2.306) 3.269 35.172 ( 0.456 2.995 -0.327) 3.048 35.269 ( 3.509 -3.194 1.160) 4.885 35.299 ( 5.992 -2.953 -1.982) 6.968 35.485 ( 1.103 -6.917 5.359) 8.819 35.566 ( 2.654 -11.809 -2.428) 12.344 36.572 ( -2.919 16.895 5.593) 18.034 36.733 ( -6.999 24.000 -10.837) 27.248 37.339 ( -5.335 -5.246 7.216) 10.395 37.504 ( -6.719 -3.878 -8.719) 11.671 47.634 ( 0.551 2.200 0.208) 2.278 47.655 ( 0.663 1.077 -1.640) 2.071 47.787 ( -0.263 -0.141 2.681) 2.698 47.838 ( -0.485 -1.701 -2.183) 2.810 48.152 ( 1.003 1.614 1.059) 2.175 48.183 ( 0.485 1.502 -2.080) 2.611 48.513 ( -2.308 0.007 4.495) 5.053 48.592 ( -2.895 -1.621 -3.112) 4.549 97.903 ( 0.908 1.423 0.525) 1.768 97.908 ( 0.606 1.656 0.047) 1.764 98.376 ( -3.335 6.692 -0.338) 7.484 98.404 ( -3.218 4.300 -2.520) 5.933 99.617 ( -1.245 -0.148 5.290) 5.436 99.724 ( -3.520 -1.164 -4.405) 5.757 99.836 ( -3.512 -3.531 2.523) 5.583 99.870 ( -4.946 -3.804 -0.636) 6.272 104.777 ( 0.082 1.022 1.613) 1.911 104.800 ( 0.108 0.814 -0.665) 1.056 104.942 ( -0.845 0.540 0.786) 1.274 104.959 ( -0.686 -0.263 -0.767) 1.062 105.102 ( 0.136 0.719 0.264) 0.778 105.113 ( 0.028 -0.082 -0.868) 0.872 105.418 ( -6.783 -4.011 5.622) 9.680 105.481 ( -6.158 -5.988 -0.422) 8.600 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 10.526 -1.244 12.775) 16.599 1.562 ( 8.244 13.868 8.005) 18.010 1.836 ( 7.166 12.231 -7.901) 16.229 1.942 ( 9.345 -3.124 -16.811) 19.486 2.406 ( 8.770 -2.598 5.283) 10.563 2.462 ( 14.046 -5.966 1.436) 15.328 2.514 ( 11.828 -4.015 2.291) 12.699 2.560 ( 4.808 -2.409 -4.737) 7.166 2.667 ( 6.017 -1.459 -1.860) 6.465 2.750 ( 5.571 -0.501 -4.897) 7.434 2.837 ( 7.891 1.777 1.306) 8.194 2.930 ( 9.026 0.025 -6.337) 11.028 2.979 ( 10.985 -5.404 1.604) 12.347 3.019 ( 14.233 -7.682 -1.949) 16.291 3.178 ( 7.879 -1.868 -2.080) 8.361 3.228 ( 5.578 -4.124 -5.983) 9.161 3.458 ( 8.581 8.248 4.812) 12.838 3.532 ( 4.409 3.522 -1.504) 5.841 3.612 ( 3.805 7.389 0.986) 8.369 3.652 ( 5.397 4.971 -1.975) 7.599 3.885 ( 8.736 2.684 0.926) 9.186 3.909 ( 2.005 0.065 0.022) 2.006 3.939 ( 3.860 2.789 3.432) 5.870 3.979 ( 4.734 1.672 -0.089) 5.021 4.160 ( 6.207 0.147 1.556) 6.401 4.212 ( 6.766 0.301 -0.559) 6.796 4.284 ( 13.955 -0.031 1.388) 14.024 4.395 ( 9.775 0.245 -6.142) 11.547 4.425 ( -0.733 -1.794 1.141) 2.249 4.470 ( 0.036 -3.168 -2.897) 4.293 4.661 ( 0.325 2.812 3.515) 4.513 4.750 ( -0.678 3.295 -4.184) 5.369 5.334 ( -5.702 -0.567 7.462) 9.408 5.377 ( -3.279 0.020 5.223) 6.168 5.438 ( -0.812 3.173 -1.189) 3.484 5.461 ( -7.692 1.356 -1.792) 8.014 5.534 ( -7.548 0.608 4.398) 8.757 5.596 ( -4.358 -3.556 -1.934) 5.948 5.672 ( -0.761 -1.987 1.845) 2.816 5.697 ( -3.405 -0.925 1.513) 3.839 5.769 ( -7.008 1.298 -2.081) 7.425 5.829 ( -4.632 -1.910 -6.822) 8.465 5.983 ( -5.689 -5.244 4.532) 8.967 6.071 ( -8.873 -4.791 -2.851) 10.480 6.194 ( -6.579 3.288 1.998) 7.622 6.256 ( -2.464 2.778 -3.089) 4.830 6.362 ( -6.931 -3.096 5.465) 9.354 6.424 ( -4.821 -1.961 -0.345) 5.216 6.577 ( -5.442 0.651 -0.659) 5.520 6.643 ( -7.557 1.362 -5.880) 9.672 6.687 ( -3.623 2.228 0.364) 4.269 6.718 ( -3.443 -0.513 -2.851) 4.500 6.859 ( -6.793 1.049 4.033) 7.969 6.929 ( -4.013 -0.931 -0.655) 4.171 7.033 ( -2.469 -3.613 5.772) 7.243 7.120 ( -0.455 -5.422 -2.048) 5.814 7.204 ( -0.238 0.839 2.966) 3.092 7.252 ( 0.424 -1.845 -0.920) 2.105 7.322 ( -1.122 -0.156 0.911) 1.453 7.412 ( 0.863 4.065 -7.532) 8.602 7.502 ( -7.335 -2.972 -0.495) 7.930 7.546 ( -3.945 1.148 -3.571) 5.444 7.735 ( -3.236 -3.996 2.676) 5.797 7.759 ( -3.477 -7.344 1.480) 8.259 8.150 ( 3.260 8.708 3.225) 9.842 8.240 ( 1.794 5.119 -4.905) 7.313 8.322 ( -0.683 -1.203 2.776) 3.101 8.393 ( -1.216 -3.331 -3.762) 5.169 8.480 ( -1.780 1.707 5.052) 5.622 8.572 ( -1.032 4.951 -0.406) 5.074 8.618 ( -1.419 -0.026 -1.555) 2.105 8.646 ( -1.498 3.554 -2.067) 4.376 9.255 ( -0.535 -5.860 0.993) 5.968 9.306 ( -1.054 -7.455 -3.496) 8.301 9.475 ( -2.868 4.094 4.467) 6.704 9.557 ( -2.281 2.609 -3.236) 4.741 9.644 ( -0.492 -0.595 2.902) 3.003 9.693 ( -0.716 -2.022 -0.445) 2.191 9.730 ( -5.016 0.246 3.200) 5.955 9.765 ( -4.424 1.738 0.284) 4.762 9.988 ( 0.958 1.874 3.489) 4.074 10.058 ( 1.833 1.609 -3.356) 4.148 10.180 ( -2.387 -0.881 1.382) 2.895 10.189 ( -2.986 -0.342 0.663) 3.078 10.245 ( -2.087 1.225 -0.195) 2.428 10.252 ( -4.043 -0.706 -0.974) 4.218 10.813 ( 4.114 -0.261 5.630) 6.978 10.935 ( -1.066 -3.193 -6.154) 7.015 11.328 ( 0.546 5.871 4.993) 7.727 11.385 ( -2.550 6.208 1.261) 6.829 11.619 ( -0.222 -0.233 0.579) 0.662 11.682 ( 0.803 -1.065 -0.625) 1.473 11.747 ( -0.954 2.575 -4.027) 4.874 11.793 ( 0.481 -1.023 -4.501) 4.641 12.007 ( 5.055 -6.069 2.922) 8.422 12.082 ( 4.917 -6.241 -5.321) 9.562 14.381 ( 8.172 0.141 0.047) 8.174 14.398 ( 7.983 -0.176 -1.600) 8.143 14.553 ( 4.963 -1.405 2.075) 5.560 14.587 ( 5.340 -2.280 -1.336) 5.958 15.300 ( 0.833 3.880 4.548) 6.036 15.388 ( -3.555 -0.527 -0.294) 3.606 15.396 ( -0.903 0.509 0.655) 1.226 15.420 ( -3.700 -0.400 0.283) 3.733 15.435 ( -3.851 -0.031 -0.645) 3.904 15.440 ( 0.201 1.572 -3.612) 3.944 15.536 ( -3.441 4.874 3.307) 6.822 15.658 ( -1.661 1.993 -7.534) 7.968 16.047 ( 1.462 -0.776 4.300) 4.607 16.101 ( -0.976 -2.119 0.195) 2.341 16.170 ( 0.319 -0.705 3.849) 3.926 16.214 ( -1.027 0.618 -0.887) 1.491 16.249 ( 0.782 0.164 4.227) 4.302 16.292 ( -0.916 1.225 5.290) 5.507 16.336 ( -0.079 1.991 -1.487) 2.487 16.489 ( -3.943 -2.060 -9.515) 10.503 17.336 ( 1.927 1.292 5.644) 6.103 17.449 ( 0.599 2.565 -3.962) 4.758 17.476 ( 6.352 -1.913 7.586) 10.078 17.655 ( -0.366 1.870 -0.762) 2.052 17.666 ( 0.165 1.742 -3.447) 3.865 17.758 ( 0.002 3.055 -7.891) 8.462 18.073 ( -8.234 -5.146 3.083) 10.188 18.153 ( -9.327 -5.367 -4.045) 11.496 19.860 ( 1.009 0.014 0.339) 1.065 19.868 ( 1.105 -0.162 -0.452) 1.204 19.968 ( -0.606 -0.577 0.915) 1.240 19.971 ( -0.668 -0.762 0.671) 1.216 21.280 ( 6.768 1.086 0.877) 6.910 21.298 ( 8.628 1.266 -0.645) 8.744 21.482 ( 8.382 0.474 5.113) 9.829 21.606 ( 8.685 -1.777 -6.911) 11.241 22.202 ( -9.705 2.440 6.044) 11.690 22.318 ( -8.532 2.208 -4.837) 10.054 22.512 ( -3.963 -2.809 7.434) 8.880 22.665 ( -3.160 -3.841 -7.229) 8.775 24.074 ( 22.192 0.556 0.736) 22.211 24.089 ( 22.475 0.175 -0.769) 22.489 24.467 ( 31.171 -0.306 1.510) 31.209 24.530 ( 30.172 -2.030 -5.087) 30.665 25.988 ( -15.055 0.389 0.788) 15.081 26.003 ( -14.855 0.076 -0.622) 14.869 26.590 ( -16.316 -0.350 1.575) 16.395 26.613 ( -15.980 -0.808 -0.778) 16.019 28.401 ( 4.698 2.376 1.761) 5.551 28.429 ( 4.349 2.511 -1.015) 5.123 28.711 ( 6.981 -4.400 5.995) 10.200 28.841 ( 6.232 -7.691 -6.840) 12.032 31.302 ( -0.457 0.036 0.427) 0.626 31.309 ( -0.474 -0.069 -0.244) 0.538 31.364 ( -1.213 -0.363 1.008) 1.618 31.377 ( -1.262 -0.633 -0.253) 1.434 34.143 ( -3.611 0.395 2.076) 4.184 34.170 ( -4.585 -0.150 -0.126) 4.589 34.286 ( -7.638 -0.737 3.478) 8.425 34.339 ( -8.969 -1.727 -0.828) 9.172 34.989 ( 4.483 0.688 3.023) 5.450 35.054 ( 2.722 1.234 -3.026) 4.253 35.197 ( 3.101 4.252 1.127) 5.382 35.209 ( 2.819 5.509 0.002) 6.189 35.350 ( 3.214 -7.842 3.881) 9.321 35.420 ( 4.579 -6.048 -2.881) 8.115 35.542 ( 4.430 -1.784 2.852) 5.562 35.610 ( 1.850 -7.008 -3.279) 7.956 36.507 ( -2.671 12.726 2.987) 13.342 36.587 ( -6.043 17.207 -4.909) 18.886 37.192 ( -8.162 -5.521 5.557) 11.313 37.319 ( -10.361 -4.885 -6.661) 13.251 47.653 ( 1.303 1.471 0.644) 2.068 47.675 ( 1.271 0.722 -1.419) 2.037 47.778 ( -0.619 0.008 2.346) 2.426 47.822 ( -1.037 -1.273 -1.879) 2.495 48.186 ( 2.206 0.979 0.410) 2.448 48.201 ( 1.277 1.053 -1.158) 2.020 48.450 ( -3.613 0.102 3.774) 5.225 48.515 ( -4.243 -1.204 -2.606) 5.123 97.932 ( 1.807 1.260 0.312) 2.224 97.934 ( 2.114 1.049 0.095) 2.362 98.285 ( -5.150 4.721 0.657) 7.018 98.313 ( -5.274 3.217 -1.930) 6.472 99.584 ( -1.681 0.239 3.832) 4.191 99.635 ( -4.216 0.098 0.284) 4.226 99.759 ( -3.340 -3.116 0.461) 4.591 99.777 ( -3.658 -3.067 -1.700) 5.067 104.783 ( 0.499 0.908 1.468) 1.797 104.806 ( 0.501 0.591 -0.815) 1.124 104.918 ( -1.435 0.640 1.044) 1.886 104.938 ( -1.243 -0.036 -0.932) 1.554 105.105 ( 0.144 0.946 0.404) 1.039 105.115 ( 0.243 0.099 -0.469) 0.537 105.278 ( -5.698 -2.351 5.441) 8.222 105.352 ( -5.819 -3.404 -1.835) 6.987 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 8.630 2.000 2.503) 9.206 1.738 ( 7.972 6.926 1.142) 10.621 2.003 ( 7.905 9.889 -0.555) 12.673 2.135 ( 7.646 -4.273 -12.879) 15.575 2.472 ( -1.328 -6.133 3.996) 7.439 2.539 ( -3.466 -4.640 -4.035) 7.058 2.597 ( 4.018 -3.615 0.831) 5.469 2.696 ( 3.205 -2.400 -4.944) 6.362 2.797 ( 8.192 1.228 4.354) 9.358 2.889 ( 6.560 -0.873 -3.905) 7.684 2.999 ( 5.807 0.222 -3.050) 6.563 3.032 ( 0.789 -2.396 -3.260) 4.122 3.131 ( -0.240 -1.572 -0.424) 1.645 3.210 ( 2.062 -1.465 -7.410) 7.830 3.427 ( 16.827 -4.396 1.538) 17.460 3.485 ( 14.591 -3.181 -3.275) 15.288 3.586 ( 1.105 7.385 1.422) 7.602 3.609 ( 1.499 5.560 -0.265) 5.765 3.734 ( 8.058 7.037 1.268) 10.773 3.768 ( 6.667 5.416 -2.429) 8.927 3.956 ( 1.372 -1.224 2.786) 3.338 3.962 ( -0.640 1.973 1.538) 2.582 4.029 ( 4.823 1.023 0.075) 4.931 4.049 ( 0.933 4.742 -1.918) 5.200 4.218 ( 2.400 -0.906 3.597) 4.418 4.282 ( 1.911 0.256 -1.977) 2.762 4.491 ( 1.372 -2.527 4.014) 4.938 4.556 ( 0.546 -3.520 -0.595) 3.611 4.672 ( 18.282 0.275 0.215) 18.286 4.688 ( 18.286 -1.335 -1.274) 18.378 4.743 ( 14.066 2.856 1.288) 14.411 4.820 ( 10.625 2.993 -4.105) 11.777 5.160 ( -7.412 1.312 5.385) 9.255 5.237 ( -8.811 2.279 -1.730) 9.264 5.357 ( -3.913 -2.002 0.194) 4.399 5.364 ( -3.404 -2.042 1.976) 4.434 5.452 ( -2.268 4.537 2.732) 5.762 5.531 ( -6.566 2.783 -3.675) 8.022 5.600 ( -6.050 -1.961 5.061) 8.128 5.629 ( -4.239 -2.789 2.656) 5.727 5.668 ( -6.952 -2.958 -1.525) 7.707 5.717 ( -6.549 -3.600 -4.142) 8.544 5.793 ( -9.953 -2.370 1.625) 10.360 5.823 ( -8.504 -0.113 -1.765) 8.686 6.105 ( 0.047 1.422 5.760) 5.933 6.218 ( -3.248 -3.939 -1.553) 5.336 6.296 ( 1.373 -1.105 4.078) 4.443 6.336 ( -2.683 -1.310 0.839) 3.101 6.446 ( -7.463 -0.699 0.511) 7.513 6.500 ( -4.816 1.445 -6.706) 8.382 6.631 ( -2.043 2.915 -1.581) 3.895 6.653 ( -3.215 0.731 -2.872) 4.373 6.743 ( -3.073 5.556 3.232) 7.124 6.813 ( -5.453 2.578 -1.417) 6.196 6.913 ( -5.620 -3.466 5.209) 8.410 7.035 ( -7.461 -5.407 -5.942) 10.964 7.238 ( 2.833 0.032 4.856) 5.622 7.286 ( 1.705 -1.753 2.786) 3.707 7.349 ( 1.130 -5.609 1.271) 5.861 7.380 ( 0.008 -2.167 -5.222) 5.653 7.475 ( 1.488 1.481 -3.871) 4.404 7.500 ( -0.826 1.502 -4.937) 5.226 7.688 ( -1.660 -6.914 2.283) 7.469 7.701 ( -1.963 -8.126 1.620) 8.516 8.204 ( 1.921 6.104 2.318) 6.806 8.270 ( 0.693 1.520 -4.120) 4.446 8.296 ( -1.371 1.810 2.371) 3.283 8.352 ( -2.571 -2.016 -3.347) 4.677 8.457 ( -0.075 4.255 4.893) 6.485 8.532 ( -2.579 6.422 -0.085) 6.921 8.583 ( -1.337 3.103 -1.938) 3.895 8.606 ( -1.939 6.304 -2.732) 7.139 9.273 ( 1.948 -5.319 1.204) 5.791 9.309 ( 0.854 -6.784 -1.963) 7.114 9.444 ( -0.275 0.096 3.118) 3.131 9.504 ( -2.890 -1.202 -2.104) 3.772 9.595 ( -3.239 -0.888 1.975) 3.896 9.614 ( -3.710 -0.968 0.330) 3.848 9.659 ( -2.351 2.863 3.281) 4.949 9.714 ( -3.254 2.250 -1.799) 4.345 10.027 ( 3.224 1.995 2.544) 4.566 10.083 ( 1.439 1.318 -2.719) 3.347 10.171 ( 0.727 0.115 0.731) 1.038 10.182 ( 1.686 -1.056 -0.347) 2.020 10.235 ( 2.811 0.004 0.653) 2.886 10.241 ( 2.783 0.895 0.331) 2.942 10.692 ( -13.131 -1.400 2.526) 13.445 10.738 ( -14.313 -2.331 -1.846) 14.618 11.328 ( -0.557 6.436 3.536) 7.365 11.341 ( -1.630 6.963 2.975) 7.746 11.627 ( 0.821 -0.260 -1.337) 1.591 11.676 ( -1.232 -0.373 -4.914) 5.080 11.807 ( 5.416 0.867 1.492) 5.685 11.860 ( 4.380 -0.286 -2.639) 5.121 12.103 ( 3.711 -6.836 2.714) 8.238 12.165 ( 1.936 -7.597 -3.380) 8.537 14.533 ( 5.764 0.259 0.245) 5.775 14.546 ( 5.512 0.097 -0.926) 5.590 14.639 ( 3.190 -1.516 1.311) 3.767 14.671 ( 2.481 -2.163 -1.708) 3.709 15.300 ( -0.883 0.145 2.908) 3.042 15.317 ( -2.644 -0.657 0.471) 2.765 15.341 ( -3.191 -0.305 0.447) 3.237 15.347 ( -3.022 -0.587 0.626) 3.142 15.391 ( 0.254 4.153 2.167) 4.692 15.466 ( -1.818 5.457 3.045) 6.509 15.493 ( 2.071 3.129 -4.267) 5.683 15.613 ( -2.554 2.270 -7.860) 8.570 16.090 ( 2.390 -1.623 1.731) 3.368 16.102 ( 1.016 -2.106 0.800) 2.471 16.165 ( -0.555 -1.280 2.815) 3.142 16.193 ( -1.161 -0.992 -0.279) 1.552 16.266 ( 1.492 0.443 4.666) 4.919 16.311 ( 1.763 0.644 0.291) 1.900 16.346 ( 0.262 1.539 -0.878) 1.792 16.408 ( -3.802 -0.619 -6.034) 7.159 17.387 ( 2.861 2.273 3.890) 5.337 17.458 ( 0.186 3.140 -2.438) 3.979 17.579 ( 1.878 -1.021 3.472) 4.077 17.627 ( -2.428 1.776 -1.654) 3.433 17.656 ( 2.019 2.134 2.577) 3.908 17.772 ( 0.468 -1.696 -5.559) 5.831 17.932 ( -5.117 -3.543 -0.266) 6.229 17.981 ( -6.739 -3.849 -3.497) 8.512 19.880 ( 0.887 0.172 0.501) 1.033 19.887 ( 0.691 0.064 -0.138) 0.708 19.948 ( -1.035 -0.628 0.961) 1.546 19.952 ( -1.024 -0.704 0.608) 1.383 21.452 ( 9.469 1.066 2.737) 9.914 21.505 ( 10.781 0.088 -2.010) 10.967 21.672 ( 8.576 0.819 3.664) 9.362 21.776 ( 5.732 -1.612 -6.146) 8.557 21.994 ( -9.227 3.995 6.477) 11.961 22.119 ( -9.881 3.980 -5.620) 12.044 22.422 ( -3.594 -3.915 6.917) 8.723 22.558 ( -6.636 -4.402 -6.321) 10.167 24.583 ( 25.872 0.535 0.987) 25.896 24.603 ( 26.007 0.048 -0.944) 26.024 25.120 ( 30.502 -0.400 0.445) 30.508 25.148 ( 28.652 -1.117 -2.414) 28.775 25.609 ( -21.120 0.447 0.976) 21.147 25.627 ( -20.950 0.011 -0.829) 20.966 26.199 ( -21.113 -0.098 1.305) 21.154 26.224 ( -21.349 -0.650 -1.099) 21.387 28.493 ( 3.711 2.725 1.295) 4.782 28.511 ( 3.056 2.932 -0.498) 4.264 28.837 ( 4.903 -5.218 3.832) 8.121 28.921 ( 1.497 -6.940 -4.330) 8.315 31.298 ( 0.132 0.065 0.460) 0.483 31.304 ( 0.161 -0.076 -0.193) 0.263 31.336 ( -1.446 -0.298 0.822) 1.690 31.347 ( -1.566 -0.523 -0.260) 1.671 34.083 ( -1.827 0.363 1.422) 2.343 34.095 ( -2.422 0.246 0.362) 2.461 34.157 ( -4.439 -0.343 1.727) 4.775 34.183 ( -5.640 -0.796 -0.459) 5.714 35.073 ( 3.270 0.655 1.573) 3.687 35.103 ( 1.673 1.208 -1.141) 2.358 35.264 ( 2.959 6.124 0.983) 6.872 35.273 ( 2.802 7.314 0.154) 7.834 35.394 ( 1.513 -7.978 2.742) 8.571 35.461 ( -0.451 -8.396 -3.475) 9.098 35.640 ( 3.950 -0.033 0.694) 4.010 35.659 ( 2.534 -0.772 -0.999) 2.831 36.478 ( -0.027 7.987 0.860) 8.033 36.503 ( -1.977 10.148 -1.529) 10.451 37.030 ( -6.434 -5.298 3.097) 8.891 37.104 ( -9.372 -5.241 -4.045) 11.475 47.685 ( 1.628 0.933 0.827) 2.050 47.705 ( 1.411 0.472 -1.042) 1.817 47.763 ( -0.783 0.010 1.635) 1.812 47.795 ( -1.521 -0.812 -1.457) 2.257 48.235 ( 2.386 0.719 0.357) 2.517 48.247 ( 3.339 0.250 -0.705) 3.421 48.370 ( -3.832 0.248 2.816) 4.762 48.422 ( -4.615 -0.806 -2.174) 5.165 97.985 ( 3.255 1.181 0.539) 3.505 97.994 ( 3.604 0.880 -0.345) 3.726 98.172 ( -5.393 2.849 0.933) 6.170 98.196 ( -5.716 1.998 -1.312) 6.196 99.554 ( -1.051 0.597 2.512) 2.788 99.568 ( -2.085 0.672 1.666) 2.752 99.706 ( -1.627 -2.627 -0.551) 3.139 99.718 ( -2.059 -2.826 -1.954) 4.005 104.799 ( 1.037 0.963 1.221) 1.869 104.820 ( 0.717 0.728 -0.854) 1.332 104.887 ( -1.329 0.468 1.142) 1.814 104.908 ( -1.586 0.114 -0.924) 1.839 105.110 ( 0.396 0.673 1.032) 1.295 105.125 ( 0.552 -0.154 0.079) 0.579 105.193 ( -2.356 -1.420 2.797) 3.923 105.249 ( -3.958 -2.133 -2.132) 4.976 ======================= Grid point 103 (40/45) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -0.875 7.310 -0.779) 7.403 1.825 ( 0.875 7.310 -0.779) 7.403 2.157 ( -5.817 -4.409 -4.678) 8.670 2.157 ( 5.817 -4.409 -4.678) 8.670 2.464 ( -3.014 -1.163 -2.482) 4.073 2.464 ( 3.014 -1.163 -2.482) 4.073 2.694 ( -3.385 -2.685 2.190) 4.844 2.694 ( 3.385 -2.685 2.190) 4.844 2.944 ( -3.983 -3.694 3.539) 6.484 2.944 ( 3.983 -3.694 3.539) 6.484 3.034 ( -4.565 -3.454 -6.806) 8.894 3.034 ( 4.565 -3.454 -6.806) 8.894 3.157 ( -6.119 6.169 -6.889) 11.088 3.157 ( 6.119 6.169 -6.889) 11.088 3.576 ( -1.192 4.078 1.696) 4.575 3.576 ( 1.192 4.078 1.696) 4.575 3.719 ( -3.272 0.081 -1.513) 3.606 3.719 ( 3.272 0.081 -1.513) 3.606 3.782 ( -1.122 -0.558 -0.619) 1.398 3.782 ( 1.122 -0.558 -0.619) 1.398 3.947 ( -0.623 5.631 -0.794) 5.720 3.947 ( 0.623 5.631 -0.794) 5.720 4.087 ( -0.766 -0.225 0.881) 1.189 4.087 ( 0.766 -0.225 0.881) 1.189 4.298 ( -2.554 -0.191 1.152) 2.809 4.298 ( 2.554 -0.191 1.152) 2.809 4.489 ( -2.166 -2.991 3.378) 5.005 4.489 ( 2.166 -2.991 3.378) 5.005 4.937 ( -2.944 2.253 -0.354) 3.724 4.937 ( 2.944 2.253 -0.354) 3.724 5.068 ( -1.480 2.382 -0.360) 2.828 5.068 ( 1.480 2.382 -0.360) 2.828 5.093 ( -4.852 1.428 -2.605) 5.689 5.093 ( 4.852 1.428 -2.605) 5.689 5.284 ( -1.328 -1.513 2.192) 2.976 5.284 ( 1.328 -1.513 2.192) 2.976 5.372 ( -6.255 -0.341 2.845) 6.880 5.372 ( 6.255 -0.341 2.845) 6.880 5.523 ( -5.341 -3.648 -2.393) 6.896 5.523 ( 5.341 -3.648 -2.393) 6.896 5.546 ( -0.613 0.358 4.527) 4.582 5.546 ( 0.613 0.358 4.527) 4.582 5.755 ( -2.584 0.157 -1.625) 3.056 5.755 ( 2.584 0.157 -1.625) 3.056 6.169 ( -2.843 -2.985 1.293) 4.320 6.169 ( 2.843 -2.985 1.293) 4.320 6.318 ( -3.068 -1.782 2.305) 4.231 6.318 ( 3.068 -1.782 2.305) 4.231 6.382 ( -4.833 1.662 -1.973) 5.478 6.382 ( 4.833 1.662 -1.973) 5.478 6.610 ( -0.633 1.697 -1.069) 2.103 6.610 ( 0.633 1.697 -1.069) 2.103 6.742 ( -1.618 5.318 1.165) 5.680 6.742 ( 1.618 5.318 1.165) 5.680 6.892 ( -4.187 -4.845 -3.638) 7.365 6.892 ( 4.187 -4.845 -3.638) 7.365 7.285 ( -1.430 -2.752 3.847) 4.941 7.285 ( 1.430 -2.752 3.847) 4.941 7.379 ( -1.332 -3.024 -0.408) 3.329 7.379 ( 1.332 -3.024 -0.408) 3.329 7.495 ( -0.529 0.860 -4.750) 4.856 7.495 ( 0.529 0.860 -4.750) 4.856 7.674 ( -0.513 -7.786 1.476) 7.942 7.674 ( 0.513 -7.786 1.476) 7.942 8.242 ( -1.990 1.942 1.294) 3.067 8.242 ( 1.990 1.942 1.294) 3.067 8.306 ( -1.546 0.431 -2.691) 3.133 8.306 ( 1.546 0.431 -2.691) 3.133 8.480 ( -2.090 6.544 2.207) 7.215 8.480 ( 2.090 6.544 2.207) 7.215 8.576 ( -0.704 6.257 -2.303) 6.704 8.576 ( 0.704 6.257 -2.303) 6.704 9.313 ( -1.123 -4.572 0.466) 4.731 9.313 ( 1.123 -4.572 0.466) 4.731 9.451 ( -1.311 -6.270 0.375) 6.417 9.451 ( 1.311 -6.270 0.375) 6.417 9.575 ( -1.505 2.851 1.039) 3.387 9.575 ( 1.505 2.851 1.039) 3.387 9.639 ( -2.323 2.324 -0.453) 3.317 9.639 ( 2.323 2.324 -0.453) 3.317 10.090 ( -1.644 2.728 0.430) 3.214 10.090 ( 1.644 2.728 0.430) 3.214 10.187 ( -0.562 0.754 0.266) 0.978 10.187 ( 0.562 0.754 0.266) 0.978 10.375 ( -4.986 -1.478 0.831) 5.266 10.375 ( 4.986 -1.478 0.831) 5.266 10.451 ( -5.863 -1.968 -0.160) 6.187 10.451 ( 5.863 -1.968 -0.160) 6.187 11.321 ( -0.263 7.003 2.786) 7.542 11.321 ( 0.263 7.003 2.786) 7.542 11.649 ( -1.248 -0.309 -3.129) 3.382 11.649 ( 1.248 -0.309 -3.129) 3.382 11.894 ( -1.738 -0.201 1.093) 2.063 11.894 ( 1.738 -0.201 1.093) 2.063 12.161 ( -1.872 -7.132 -0.707) 7.408 12.161 ( 1.872 -7.132 -0.707) 7.408 14.601 ( -0.488 0.301 0.227) 0.617 14.601 ( 0.488 0.301 0.227) 0.617 14.685 ( -1.072 -1.821 -0.840) 2.274 14.685 ( 1.072 -1.821 -0.840) 2.274 15.288 ( -0.291 -0.762 1.104) 1.373 15.288 ( 0.291 -0.762 1.104) 1.373 15.306 ( -0.343 -0.671 0.171) 0.773 15.306 ( 0.343 -0.671 0.171) 0.773 15.419 ( -2.025 5.847 4.962) 7.931 15.419 ( 2.025 5.847 4.962) 7.931 15.554 ( -3.058 2.657 -7.339) 8.383 15.554 ( 3.058 2.657 -7.339) 8.383 16.121 ( -0.174 -2.585 1.291) 2.895 16.121 ( 0.174 -2.585 1.291) 2.895 16.165 ( -1.104 -2.291 0.826) 2.674 16.165 ( 1.104 -2.291 0.826) 2.674 16.318 ( -2.975 1.056 0.317) 3.173 16.318 ( 2.975 1.056 0.317) 3.173 16.348 ( -1.602 1.368 -1.499) 2.586 16.348 ( 1.602 1.368 -1.499) 2.586 17.443 ( -1.954 2.981 1.083) 3.725 17.443 ( 1.954 2.981 1.083) 3.725 17.586 ( -0.869 1.872 -0.825) 2.223 17.586 ( 0.869 1.872 -0.825) 2.223 17.740 ( -3.921 -1.930 2.187) 4.887 17.740 ( 3.921 -1.930 2.187) 4.887 17.890 ( -1.628 -3.244 -3.911) 5.336 17.890 ( 1.628 -3.244 -3.911) 5.336 19.894 ( -0.217 0.295 0.299) 0.472 19.894 ( 0.217 0.295 0.299) 0.472 19.937 ( -0.156 -0.759 0.696) 1.042 19.937 ( 0.156 -0.759 0.696) 1.042 21.640 ( -5.359 0.998 1.620) 5.686 21.640 ( 5.359 0.998 1.620) 5.686 21.761 ( -5.196 -3.032 0.158) 6.018 21.761 ( 5.196 -3.032 0.158) 6.018 21.951 ( -5.615 7.226 -1.077) 9.215 21.951 ( 5.615 7.226 -1.077) 9.215 22.426 ( -4.506 -5.003 -0.879) 6.790 22.426 ( 4.506 -5.003 -0.879) 6.790 25.120 ( -24.797 0.445 1.043) 24.823 25.120 ( 24.797 0.445 1.043) 24.823 25.142 ( -24.756 -0.067 -0.954) 24.774 25.142 ( 24.756 -0.067 -0.954) 24.774 25.682 ( -4.463 0.427 -0.493) 4.511 25.682 ( 4.464 0.427 -0.493) 4.511 25.753 ( -5.155 -1.204 -0.143) 5.295 25.753 ( 5.155 -1.204 -0.143) 5.295 28.540 ( -0.494 2.982 0.490) 3.062 28.540 ( 0.494 2.982 0.490) 3.062 28.912 ( -2.183 -5.999 -0.194) 6.387 28.912 ( 2.183 -5.999 -0.194) 6.387 31.309 ( -0.973 -0.087 0.595) 1.144 31.309 ( 0.973 -0.087 0.595) 1.144 31.318 ( -1.094 -0.273 -0.221) 1.149 31.318 ( 1.094 -0.273 -0.221) 1.149 34.070 ( -0.287 0.468 0.837) 1.001 34.070 ( 0.287 0.468 0.837) 1.001 34.114 ( -0.695 -0.501 0.365) 0.932 34.114 ( 0.695 -0.501 0.365) 0.932 35.115 ( -0.659 0.776 0.411) 1.098 35.115 ( 0.659 0.776 0.411) 1.098 35.302 ( -0.334 7.488 0.790) 7.537 35.302 ( 0.334 7.488 0.790) 7.537 35.430 ( -1.949 -7.857 -1.141) 8.175 35.430 ( 1.949 -7.857 -1.141) 8.175 35.686 ( -0.353 0.740 0.041) 0.821 35.686 ( 0.353 0.740 0.041) 0.821 36.488 ( -0.321 6.208 -0.109) 6.217 36.488 ( 0.321 6.208 -0.109) 6.217 36.974 ( -2.004 -5.043 -0.549) 5.455 36.974 ( 2.004 -5.043 -0.549) 5.455 47.714 ( -0.887 0.708 0.597) 1.283 47.714 ( 0.887 0.708 0.597) 1.283 47.763 ( -1.204 -0.459 -0.586) 1.416 47.763 ( 1.204 -0.459 -0.586) 1.416 48.294 ( -3.173 0.463 1.612) 3.589 48.294 ( 3.173 0.463 1.612) 3.589 48.328 ( -4.171 -0.350 -1.491) 4.443 48.328 ( 4.171 -0.350 -1.491) 4.443 98.066 ( -4.299 1.650 0.719) 4.661 98.066 ( 4.299 1.650 0.719) 4.661 98.084 ( -4.657 1.180 -0.734) 4.860 98.084 ( 4.657 1.180 -0.734) 4.860 99.545 ( -0.240 0.761 1.928) 2.087 99.545 ( 0.240 0.761 1.928) 2.087 99.693 ( -0.323 -2.573 -1.344) 2.921 99.693 ( 0.323 -2.573 -1.344) 2.921 104.821 ( -0.834 1.150 0.444) 1.489 104.821 ( 0.834 1.150 0.444) 1.489 104.879 ( -0.848 0.012 -0.178) 0.866 104.879 ( 0.848 0.012 -0.178) 0.866 105.123 ( -0.719 -0.009 1.702) 1.848 105.123 ( 0.719 -0.009 1.702) 1.848 105.188 ( -1.746 -1.326 -1.133) 2.468 105.188 ( 1.746 -1.326 -1.133) 2.468 ======================= Grid point 108 (41/45) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.000 6.551 13.611) 15.105 1.467 ( 0.000 11.121 13.678) 17.629 1.632 ( 0.000 -11.539 -1.516) 11.639 1.686 ( 0.000 -3.011 -0.278) 3.024 2.041 ( 0.000 2.682 3.565) 4.461 2.090 ( 0.000 13.474 -4.606) 14.239 2.120 ( 0.000 13.634 -3.614) 14.105 2.205 ( 0.000 -12.111 -11.841) 16.937 2.379 ( 0.000 -3.662 -7.060) 7.953 2.438 ( 0.000 -1.349 -6.233) 6.377 2.580 ( 0.000 0.550 -1.905) 1.983 2.601 ( 0.000 -5.219 -4.793) 7.086 2.668 ( 0.000 -3.261 1.114) 3.446 2.714 ( 0.000 -5.462 -3.640) 6.563 3.083 ( 0.000 1.330 -1.912) 2.329 3.142 ( 0.000 -4.609 -7.036) 8.411 3.380 ( 0.000 3.150 6.883) 7.569 3.404 ( 0.000 0.201 4.956) 4.960 3.496 ( 0.000 4.992 -1.982) 5.371 3.512 ( 0.000 3.543 -2.891) 4.573 3.650 ( 0.000 1.607 2.959) 3.367 3.726 ( 0.000 -6.110 -3.363) 6.975 3.781 ( 0.000 0.913 1.911) 2.118 3.820 ( 0.000 -2.936 -3.816) 4.815 4.087 ( 0.000 2.027 6.843) 7.137 4.122 ( 0.000 1.407 7.638) 7.766 4.227 ( 0.000 4.265 -3.823) 5.728 4.331 ( 0.000 -3.093 -8.934) 9.454 4.465 ( 0.000 0.820 3.754) 3.842 4.470 ( 0.000 0.185 4.196) 4.200 4.739 ( 0.000 3.101 5.068) 5.942 4.782 ( 0.000 -1.523 0.338) 1.560 5.351 ( 0.000 2.746 1.855) 3.314 5.367 ( 0.000 1.224 1.142) 1.674 5.611 ( 0.000 -0.557 0.168) 0.582 5.645 ( 0.000 -3.717 -4.147) 5.569 5.702 ( 0.000 -2.757 6.510) 7.070 5.717 ( 0.000 -2.899 2.976) 4.155 5.829 ( 0.000 1.629 -0.731) 1.786 5.837 ( 0.000 3.131 -1.011) 3.291 5.967 ( 0.000 2.965 -1.638) 3.388 5.972 ( 0.000 6.829 2.156) 7.161 6.198 ( 0.000 -0.834 1.823) 2.005 6.257 ( 0.000 1.766 -2.943) 3.432 6.325 ( 0.000 6.456 -1.427) 6.611 6.425 ( 0.000 -3.312 -3.581) 4.878 6.459 ( 0.000 -6.555 -0.814) 6.606 6.518 ( 0.000 -6.828 1.126) 6.920 6.596 ( 0.000 -1.515 1.447) 2.095 6.630 ( 0.000 -3.815 -0.471) 3.844 6.748 ( 0.000 -0.898 -7.563) 7.616 6.766 ( 0.000 -1.691 -5.640) 5.888 6.929 ( 0.000 1.113 0.625) 1.277 6.956 ( 0.000 -0.777 0.143) 0.790 7.039 ( 0.000 -2.146 -0.041) 2.146 7.040 ( 0.000 -2.930 -0.928) 3.074 7.312 ( 0.000 1.433 0.132) 1.439 7.329 ( 0.000 0.490 -0.288) 0.569 7.503 ( 0.000 5.152 1.989) 5.523 7.505 ( 0.000 3.522 2.517) 4.330 7.590 ( 0.000 -1.425 3.526) 3.803 7.653 ( 0.000 -5.278 -1.522) 5.493 7.954 ( 0.000 1.973 -2.300) 3.031 7.973 ( 0.000 0.034 -1.465) 1.465 8.230 ( 0.000 7.244 1.149) 7.335 8.265 ( 0.000 -0.421 2.639) 2.673 8.286 ( 0.000 -0.102 -5.102) 5.103 8.317 ( 0.000 -2.866 -2.821) 4.021 8.504 ( 0.000 -1.956 3.149) 3.707 8.512 ( 0.000 -3.768 3.257) 4.981 8.598 ( 0.000 -0.281 -3.339) 3.351 8.603 ( 0.000 -0.794 -2.881) 2.988 9.259 ( 0.000 -0.505 -0.980) 1.102 9.279 ( 0.000 -2.634 -2.843) 3.875 9.555 ( 0.000 0.295 0.472) 0.557 9.577 ( 0.000 -1.671 -1.538) 2.271 9.770 ( 0.000 0.396 1.554) 1.603 9.789 ( 0.000 -1.438 -0.105) 1.442 9.933 ( 0.000 5.817 5.613) 8.083 9.992 ( 0.000 1.464 2.168) 2.617 10.024 ( 0.000 1.328 1.219) 1.802 10.056 ( 0.000 0.158 0.533) 0.556 10.255 ( 0.000 0.936 2.211) 2.401 10.268 ( 0.000 -0.225 1.265) 1.285 10.297 ( 0.000 2.366 -0.845) 2.512 10.302 ( 0.000 3.289 -0.731) 3.370 10.419 ( 0.000 -3.836 1.424) 4.092 10.443 ( 0.000 -5.229 -0.716) 5.278 11.424 ( 0.000 5.538 5.065) 7.505 11.500 ( 0.000 -1.397 -0.201) 1.412 11.577 ( 0.000 -0.417 -2.560) 2.594 11.587 ( 0.000 -1.032 -1.839) 2.109 11.780 ( 0.000 3.173 3.817) 4.964 11.830 ( 0.000 -0.691 2.268) 2.370 11.966 ( 0.000 4.478 -3.134) 5.465 12.076 ( 0.000 -5.495 -9.782) 11.220 14.154 ( 0.000 0.101 -0.765) 0.772 14.160 ( 0.000 -0.485 -1.377) 1.460 14.376 ( 0.000 -0.456 1.274) 1.353 14.381 ( 0.000 -0.896 0.834) 1.224 15.345 ( 0.000 3.066 2.252) 3.805 15.380 ( 0.000 -0.350 0.072) 0.357 15.476 ( 0.000 0.336 -2.069) 2.096 15.480 ( 0.000 0.020 -1.099) 1.099 15.538 ( 0.000 0.091 -0.755) 0.760 15.543 ( 0.000 -0.395 -1.595) 1.643 15.688 ( 0.000 2.141 0.003) 2.141 15.710 ( 0.000 0.070 -2.219) 2.220 15.998 ( 0.000 0.534 5.415) 5.442 16.036 ( 0.000 -3.372 2.020) 3.930 16.122 ( 0.000 -0.583 -0.736) 0.939 16.139 ( 0.000 -2.210 -2.488) 3.328 16.381 ( 0.000 6.395 5.958) 8.740 16.459 ( 0.000 1.460 -0.166) 1.469 16.529 ( 0.000 -1.001 0.342) 1.058 16.567 ( 0.000 -2.053 -1.880) 2.784 17.267 ( 0.000 0.947 8.957) 9.006 17.288 ( 0.000 -1.041 7.188) 7.263 17.470 ( 0.000 1.471 -9.954) 10.062 17.495 ( 0.000 -1.166 -12.453) 12.508 17.841 ( 0.000 11.298 6.972) 13.276 17.962 ( 0.000 9.144 -3.874) 9.931 18.121 ( 0.000 -12.367 5.730) 13.630 18.215 ( 0.000 -11.618 -2.640) 11.914 19.825 ( 0.000 0.169 -0.472) 0.501 19.829 ( 0.000 -0.219 -0.841) 0.869 19.959 ( 0.000 -0.134 0.579) 0.594 19.960 ( 0.000 -0.340 0.411) 0.533 21.169 ( 0.000 2.491 0.989) 2.680 21.175 ( 0.000 1.400 0.271) 1.426 21.290 ( 0.000 0.198 2.063) 2.072 21.339 ( 0.000 -4.265 -2.432) 4.910 22.505 ( 0.000 1.687 0.328) 1.719 22.513 ( 0.000 2.311 -0.386) 2.343 22.548 ( 0.000 -1.977 1.130) 2.277 22.571 ( 0.000 -2.846 -1.025) 3.025 23.557 ( 0.000 0.266 -0.141) 0.301 23.560 ( 0.000 0.041 -0.445) 0.446 23.660 ( 0.000 0.345 -0.111) 0.363 23.664 ( 0.000 -0.126 -0.564) 0.578 26.317 ( 0.000 0.397 0.385) 0.553 26.322 ( 0.000 -0.024 -0.038) 0.045 26.951 ( 0.000 -0.749 0.968) 1.224 26.956 ( 0.000 -1.143 0.358) 1.198 28.332 ( 0.000 3.242 2.345) 4.002 28.362 ( 0.000 1.687 -0.598) 1.789 28.447 ( 0.000 -4.059 1.807) 4.443 28.454 ( 0.000 -3.162 0.741) 3.248 31.316 ( 0.000 0.083 0.144) 0.166 31.320 ( 0.000 -0.193 -0.184) 0.267 31.388 ( 0.000 0.034 0.658) 0.659 31.393 ( 0.000 -0.433 0.206) 0.480 34.269 ( 0.000 1.197 2.753) 3.002 34.295 ( 0.000 -1.392 1.003) 1.716 34.543 ( 0.000 0.502 1.915) 1.980 34.568 ( 0.000 -1.674 1.065) 1.983 34.869 ( 0.000 -1.323 1.938) 2.346 34.884 ( 0.000 -2.705 3.482) 4.409 35.097 ( 0.000 1.355 -0.986) 1.675 35.146 ( 0.000 -3.070 -4.198) 5.201 35.241 ( 0.000 1.801 0.761) 1.956 35.251 ( 0.000 0.707 -0.289) 0.764 35.354 ( 0.000 -2.393 1.590) 2.873 35.374 ( 0.000 -4.444 -0.164) 4.447 36.959 ( 0.000 16.298 10.133) 19.191 37.181 ( 0.000 1.447 -3.285) 3.590 37.296 ( 0.000 3.387 -3.960) 5.210 37.473 ( 0.000 -7.681 -12.447) 14.626 47.669 ( 0.000 1.214 -1.383) 1.840 47.671 ( 0.000 0.843 -1.393) 1.628 47.788 ( 0.000 0.217 1.146) 1.167 47.806 ( 0.000 -1.612 -0.567) 1.709 48.184 ( 0.000 1.911 0.517) 1.980 48.202 ( 0.000 0.248 -1.245) 1.269 48.547 ( 0.000 1.104 2.085) 2.359 48.582 ( 0.000 -2.255 -1.196) 2.553 97.923 ( 0.000 1.109 1.038) 1.519 97.929 ( 0.000 0.577 0.590) 0.825 98.532 ( 0.000 3.609 -2.948) 4.660 98.537 ( 0.000 3.591 -4.135) 5.477 99.643 ( 0.000 1.987 3.108) 3.689 99.706 ( 0.000 -3.802 -2.562) 4.585 99.821 ( 0.000 -1.082 1.652) 1.975 99.846 ( 0.000 -3.461 -0.049) 3.461 104.803 ( 0.000 1.323 1.431) 1.949 104.815 ( 0.000 0.262 0.222) 0.343 104.957 ( 0.000 -0.012 -0.242) 0.243 104.958 ( 0.000 -0.324 -0.363) 0.487 105.111 ( 0.000 0.278 0.174) 0.328 105.113 ( 0.000 0.404 0.116) 0.421 105.412 ( 0.000 -3.151 2.780) 4.202 105.417 ( 0.000 -4.288 2.776) 5.108 ======================= Grid point 109 (42/45) ======================= q-point: ( 0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.931 7.739 11.169) 13.901 1.592 ( 2.444 -6.292 -2.963) 7.372 1.780 ( 14.416 7.990 10.118) 19.340 1.933 ( 19.973 -2.851 3.633) 20.499 1.966 ( 2.134 8.736 -4.984) 10.281 2.104 ( 9.708 -0.652 -6.527) 11.717 2.274 ( 7.793 5.138 -2.594) 9.688 2.389 ( 5.692 0.202 -11.294) 12.649 2.480 ( 10.489 -9.498 -1.654) 14.247 2.536 ( 7.029 -6.861 -4.519) 10.812 2.641 ( 6.070 3.056 -2.479) 7.234 2.661 ( 7.999 4.024 -2.047) 9.184 2.735 ( 5.575 -4.877 -0.511) 7.425 2.766 ( 5.637 -5.719 -4.230) 9.076 3.081 ( 0.997 1.731 -1.592) 2.554 3.133 ( 0.066 -3.591 -5.820) 6.839 3.446 ( 5.739 4.448 5.706) 9.235 3.485 ( 6.360 0.529 3.004) 7.054 3.580 ( 6.525 5.207 0.097) 8.349 3.618 ( 5.141 2.040 -2.100) 5.916 3.697 ( 8.752 1.889 2.075) 9.191 3.754 ( 4.297 -4.628 -2.457) 6.777 3.852 ( 6.365 0.722 1.815) 6.658 3.892 ( 6.987 -2.154 -3.403) 8.065 4.085 ( 0.258 1.595 5.354) 5.593 4.139 ( 1.853 -0.230 6.347) 6.616 4.193 ( -2.929 3.832 -3.692) 6.074 4.308 ( -2.090 -4.606 -8.209) 9.642 4.460 ( -0.462 1.879 3.518) 4.015 4.474 ( 0.413 0.745 3.261) 3.370 4.733 ( -0.563 3.386 5.285) 6.302 4.784 ( -0.062 -1.474 0.383) 1.524 5.376 ( 1.892 3.609 3.384) 5.296 5.413 ( 4.051 0.838 1.041) 4.266 5.542 ( -5.449 1.098 2.052) 5.925 5.591 ( -4.500 -4.324 -5.611) 8.392 5.637 ( -6.042 -0.826 7.278) 9.495 5.659 ( -5.678 -2.945 3.950) 7.518 5.745 ( -7.806 1.513 -1.706) 8.132 5.773 ( -5.337 -1.488 -3.389) 6.495 5.932 ( -3.509 5.786 0.476) 6.783 5.949 ( -2.202 4.936 -2.069) 5.788 6.063 ( -8.518 -1.069 2.245) 8.873 6.138 ( -8.272 -5.102 -5.384) 11.111 6.322 ( -2.742 3.008 1.882) 4.484 6.363 ( -6.017 -2.897 -1.002) 6.753 6.453 ( -0.573 -1.490 0.175) 1.606 6.467 ( -1.989 -0.850 -0.819) 2.313 6.642 ( -0.725 -2.004 1.093) 2.395 6.659 ( 1.290 -4.392 1.220) 4.737 6.725 ( -1.330 0.376 -5.412) 5.586 6.762 ( -1.302 -2.924 -5.522) 6.382 6.931 ( 0.131 2.186 2.810) 3.563 6.970 ( 0.537 -0.443 1.460) 1.618 7.018 ( -1.360 -1.021 -0.384) 1.743 7.045 ( -0.188 -3.140 -1.537) 3.502 7.252 ( -4.367 1.254 0.200) 4.548 7.270 ( -4.759 0.248 -1.282) 4.935 7.467 ( -2.869 3.839 1.220) 4.945 7.475 ( -1.429 3.893 0.543) 4.183 7.559 ( -3.238 -2.579 1.663) 4.461 7.607 ( -4.245 -5.397 -2.344) 7.256 7.833 ( -8.972 0.458 -0.718) 9.012 7.845 ( -9.950 -0.563 -1.111) 10.027 8.255 ( 2.176 7.252 1.266) 7.676 8.291 ( 2.386 1.694 0.165) 2.931 8.313 ( 0.608 2.006 -4.090) 4.596 8.328 ( 0.911 -3.354 -2.212) 4.119 8.500 ( 0.014 -1.023 4.396) 4.514 8.537 ( 2.373 -4.924 3.523) 6.504 8.625 ( 2.203 1.781 -2.608) 3.851 8.652 ( 3.160 -0.746 -3.092) 4.483 9.228 ( -2.713 -0.836 -1.106) 3.047 9.247 ( -2.785 -2.876 -2.880) 4.932 9.563 ( 0.514 0.625 1.447) 1.657 9.587 ( 0.651 -1.510 -1.005) 1.927 9.695 ( -5.346 0.370 1.290) 5.512 9.709 ( -5.443 -0.674 -0.020) 5.484 9.871 ( -3.618 4.912 5.864) 8.461 9.923 ( -5.980 0.862 2.664) 6.603 10.002 ( 0.681 0.991 0.450) 1.284 10.028 ( 0.048 -0.663 -1.104) 1.288 10.247 ( -1.599 0.955 1.259) 2.248 10.257 ( -1.837 -0.086 0.230) 1.853 10.323 ( -5.155 0.346 0.580) 5.199 10.338 ( -5.303 -0.841 -0.943) 5.452 10.582 ( 16.503 0.771 2.318) 16.683 10.627 ( 18.879 -3.787 -2.136) 19.373 11.437 ( 1.066 6.080 4.510) 7.645 11.508 ( 0.492 0.109 -1.401) 1.489 11.629 ( 3.428 -0.795 -0.897) 3.631 11.634 ( 2.747 -0.889 -0.588) 2.947 11.735 ( -2.167 2.684 5.458) 6.456 11.823 ( -1.146 -5.197 5.241) 7.469 11.902 ( -4.387 5.432 -8.101) 10.695 12.008 ( -5.340 -5.112 -10.068) 12.490 14.225 ( 6.321 0.232 -0.706) 6.364 14.233 ( 6.382 -0.505 -1.457) 6.565 14.428 ( 4.498 -0.403 1.268) 4.691 14.436 ( 4.753 -1.182 0.503) 4.923 15.357 ( 0.823 3.009 2.730) 4.145 15.393 ( 0.812 -0.693 1.348) 1.720 15.454 ( -1.801 0.803 -3.226) 3.780 15.462 ( -1.476 0.032 -2.025) 2.506 15.501 ( -3.113 0.131 -0.507) 3.157 15.507 ( -3.109 -0.377 -1.321) 3.399 15.670 ( -1.605 2.783 0.542) 3.258 15.701 ( -0.805 -0.240 -2.499) 2.636 16.013 ( 1.228 0.498 4.602) 4.789 16.048 ( 0.869 -2.973 1.998) 3.686 16.138 ( 1.491 0.223 0.118) 1.512 16.165 ( 2.018 -2.316 -1.470) 3.405 16.341 ( -3.352 4.222 4.764) 7.194 16.387 ( -5.523 0.307 2.490) 6.067 16.464 ( -4.742 2.730 -0.118) 5.472 16.521 ( -3.821 -2.950 -3.632) 6.041 17.311 ( 2.324 0.240 7.538) 7.891 17.320 ( 4.196 -0.700 9.013) 9.966 17.490 ( 1.726 2.716 -9.438) 9.971 17.542 ( 3.492 -2.605 -11.875) 12.649 17.827 ( -1.328 10.113 5.331) 11.509 17.935 ( -2.516 8.748 -3.968) 9.929 18.059 ( -5.157 -10.583 4.438) 12.581 18.154 ( -5.422 -10.602 -3.647) 12.454 19.837 ( 1.045 0.041 -0.240) 1.073 19.840 ( 0.973 -0.216 -0.501) 1.115 19.962 ( 0.149 -0.252 0.648) 0.711 19.963 ( 0.095 -0.368 0.566) 0.682 21.202 ( 3.192 1.494 0.853) 3.626 21.205 ( 3.180 1.262 0.579) 3.469 21.346 ( 5.427 1.065 1.688) 5.782 21.397 ( 5.552 -3.611 -2.984) 7.264 22.422 ( -5.935 2.819 4.406) 7.911 22.477 ( -5.232 -1.801 2.861) 6.229 22.535 ( -0.301 1.813 -2.024) 2.734 22.604 ( 0.676 -4.076 -4.902) 6.411 23.703 ( 13.517 0.384 0.045) 13.523 23.707 ( 13.624 0.041 -0.306) 13.627 23.896 ( 21.497 0.514 -0.003) 21.503 23.913 ( 22.245 -1.267 -1.843) 22.357 26.236 ( -7.779 0.400 0.396) 7.799 26.241 ( -7.746 -0.059 -0.058) 7.747 26.851 ( -9.184 -0.380 0.944) 9.240 26.858 ( -9.051 -0.992 0.192) 9.107 28.371 ( 3.553 3.421 2.260) 5.425 28.399 ( 3.482 2.113 -0.364) 4.089 28.497 ( 4.977 -2.754 2.775) 6.329 28.540 ( 6.495 -5.985 -1.323) 8.931 31.312 ( -0.344 0.120 0.155) 0.396 31.316 ( -0.344 -0.175 -0.169) 0.421 31.381 ( -0.727 0.002 0.660) 0.982 31.386 ( -0.706 -0.491 0.178) 0.878 34.232 ( -3.261 0.987 2.347) 4.137 34.252 ( -3.702 -1.009 0.972) 3.958 34.442 ( -7.511 0.543 2.465) 7.924 34.474 ( -7.754 -2.508 0.214) 8.152 34.921 ( 4.952 2.078 4.120) 6.768 34.979 ( 6.097 -2.747 0.270) 6.692 35.119 ( 2.019 0.516 -0.025) 2.085 35.181 ( 3.036 -3.991 -4.219) 6.553 35.273 ( 2.952 2.431 0.416) 3.847 35.278 ( 2.507 2.482 0.007) 3.528 35.389 ( 3.103 -3.184 1.352) 4.647 35.406 ( 2.957 -5.105 -0.175) 5.902 36.905 ( -4.846 15.853 8.632) 18.690 37.105 ( -7.129 7.577 -6.989) 12.533 37.208 ( -7.295 -2.296 2.005) 7.906 37.384 ( -8.020 -8.698 -10.866) 16.064 47.670 ( 0.193 1.205 -0.970) 1.559 47.675 ( 0.351 0.663 -1.262) 1.468 47.787 ( -0.133 0.258 1.116) 1.153 47.804 ( -0.207 -1.497 -0.525) 1.600 48.188 ( 0.473 1.675 0.521) 1.817 48.204 ( 0.259 0.214 -1.056) 1.109 48.522 ( -2.297 1.055 1.949) 3.192 48.554 ( -2.500 -2.048 -1.099) 3.414 97.928 ( 0.587 0.946 0.831) 1.389 97.932 ( 0.430 0.590 0.533) 0.904 98.487 ( -4.187 3.332 -2.471) 5.894 98.490 ( -4.278 3.261 -3.039) 6.178 99.631 ( -1.025 1.986 2.797) 3.580 99.687 ( -1.646 -2.917 -2.330) 4.080 99.774 ( -3.990 -1.331 2.087) 4.696 99.796 ( -3.993 -3.032 0.086) 5.014 104.801 ( -0.106 1.188 1.334) 1.789 104.813 ( -0.151 0.150 0.205) 0.295 104.949 ( -0.674 0.116 -0.128) 0.696 104.952 ( -0.531 -0.271 -0.413) 0.725 105.115 ( 0.334 0.639 0.465) 0.858 105.121 ( 0.535 0.423 -0.043) 0.683 105.348 ( -5.052 -1.896 3.589) 6.480 105.373 ( -4.071 -4.158 1.052) 5.913 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 7.616 4.456 3.385) 9.450 1.656 ( 5.281 -6.299 -8.137) 11.566 2.009 ( 9.942 13.969 6.313) 18.272 2.109 ( 9.673 9.350 -2.672) 13.716 2.324 ( 6.248 -7.415 -0.844) 9.733 2.338 ( 7.568 -6.285 -5.828) 11.434 2.459 ( 9.388 0.982 0.149) 9.440 2.521 ( 3.519 -1.635 -5.293) 6.563 2.637 ( 7.244 -0.318 -1.309) 7.368 2.687 ( 8.158 -4.096 -2.602) 9.492 2.818 ( 13.406 -5.276 -4.863) 15.205 2.828 ( 13.424 -4.516 -4.486) 14.857 2.967 ( 12.079 3.147 0.195) 12.483 2.994 ( 12.555 1.403 -2.169) 12.818 3.153 ( 5.710 -0.139 -3.425) 6.660 3.172 ( 3.899 -1.717 -4.640) 6.299 3.598 ( 8.481 4.969 3.528) 10.444 3.620 ( 6.643 3.420 1.414) 7.605 3.689 ( 6.327 1.696 3.379) 7.371 3.722 ( 5.836 0.067 0.758) 5.885 3.897 ( 3.807 2.322 3.726) 5.811 3.964 ( 10.010 1.753 0.296) 10.167 4.002 ( 4.715 3.502 1.053) 5.967 4.072 ( 8.220 3.622 -1.045) 9.044 4.133 ( 6.560 1.133 -1.162) 6.758 4.156 ( 0.930 -3.486 -4.511) 5.777 4.249 ( 9.785 -4.261 0.503) 10.684 4.281 ( 4.071 -8.008 -2.830) 9.419 4.462 ( 2.398 4.844 4.433) 6.990 4.503 ( 3.430 1.659 1.246) 4.009 4.719 ( -0.499 2.963 4.740) 5.612 4.772 ( -0.949 -1.514 0.328) 1.817 5.349 ( -6.764 1.901 7.668) 10.400 5.377 ( -6.593 -0.243 5.006) 8.282 5.466 ( -6.876 0.858 -3.035) 7.565 5.510 ( -6.096 -2.889 -4.710) 8.228 5.542 ( 4.393 4.494 -0.629) 6.316 5.569 ( -2.120 1.752 1.991) 3.395 5.612 ( -1.675 -2.799 0.654) 3.327 5.660 ( -2.804 -3.758 -0.765) 4.751 5.806 ( -9.534 2.821 -0.665) 9.965 5.832 ( -8.506 3.130 -1.992) 9.280 5.893 ( -7.695 -3.865 2.928) 9.096 5.953 ( -9.940 -6.800 -2.807) 12.367 6.242 ( -4.852 1.981 2.876) 5.978 6.279 ( -1.779 -1.085 2.285) 3.092 6.354 ( -8.263 2.108 -0.888) 8.573 6.392 ( -5.164 -1.255 -1.638) 5.561 6.566 ( -5.541 0.342 3.544) 6.586 6.630 ( -2.719 -5.193 2.072) 6.217 6.687 ( -3.950 2.495 -8.422) 9.631 6.725 ( -2.195 -0.788 -5.586) 6.053 6.910 ( -2.956 3.044 4.431) 6.135 6.941 ( -3.516 0.784 1.545) 3.919 6.991 ( -1.147 0.071 4.232) 4.385 7.026 ( -0.698 -3.579 0.723) 3.717 7.201 ( -1.054 -0.619 -0.506) 1.323 7.208 ( 0.142 -1.804 -0.147) 1.815 7.354 ( -7.743 2.773 1.254) 8.320 7.427 ( -9.234 -4.330 -2.588) 10.522 7.478 ( 1.378 2.792 -3.194) 4.461 7.532 ( -1.206 -2.328 -5.418) 6.019 7.670 ( -5.731 -1.437 -0.156) 5.910 7.675 ( -5.253 -1.768 -1.543) 5.753 8.291 ( 0.462 4.646 -0.007) 4.669 8.312 ( -0.540 1.237 -1.179) 1.793 8.320 ( 0.204 1.052 -0.586) 1.221 8.341 ( -0.226 -2.084 -2.003) 2.899 8.519 ( 1.888 3.208 5.568) 6.697 8.587 ( 2.065 -2.667 0.689) 3.443 8.668 ( 1.360 3.524 -0.512) 3.812 8.699 ( 1.081 0.768 -2.094) 2.478 9.173 ( -1.596 -1.963 -1.223) 2.810 9.190 ( -1.746 -3.772 -2.725) 4.970 9.542 ( -3.260 2.739 3.511) 5.519 9.577 ( -2.355 -0.404 0.449) 2.431 9.621 ( -2.709 -0.978 0.278) 2.894 9.628 ( -1.995 -2.575 0.341) 3.276 9.773 ( -4.361 2.435 3.524) 6.112 9.796 ( -4.460 0.372 1.578) 4.746 10.034 ( 1.871 2.770 2.037) 3.915 10.078 ( 3.490 -0.704 -1.393) 3.823 10.150 ( -5.809 -0.008 -0.418) 5.824 10.178 ( -4.484 -1.713 -2.094) 5.237 10.255 ( -1.346 0.835 1.073) 1.914 10.263 ( -0.998 0.311 0.493) 1.156 10.820 ( 2.365 1.273 2.752) 3.846 10.867 ( 0.649 -3.334 -1.669) 3.785 11.461 ( 1.092 6.664 3.808) 7.753 11.512 ( -0.146 4.140 -0.244) 4.150 11.613 ( -1.639 0.573 4.889) 5.188 11.658 ( -0.169 -1.777 1.576) 2.381 11.768 ( 2.537 0.107 -1.448) 2.923 11.804 ( 0.686 0.586 -3.949) 4.050 11.879 ( 2.481 -3.679 -1.838) 4.803 11.947 ( 1.113 -6.656 -7.024) 9.740 14.386 ( 8.306 0.348 -0.545) 8.331 14.393 ( 8.250 -0.355 -1.252) 8.352 14.533 ( 4.934 -0.309 1.072) 5.059 14.546 ( 5.111 -1.590 -0.181) 5.356 15.350 ( -2.023 1.180 2.187) 3.204 15.368 ( -3.089 -0.979 0.936) 3.373 15.416 ( -3.262 0.404 -0.314) 3.302 15.417 ( -3.945 0.041 -0.062) 3.946 15.451 ( 0.180 2.081 -1.396) 2.513 15.471 ( 1.960 0.620 -3.818) 4.336 15.629 ( -2.237 4.046 1.657) 4.912 15.676 ( -1.572 -0.623 -2.875) 3.335 16.040 ( 1.197 0.287 3.278) 3.501 16.061 ( 0.313 -1.788 1.847) 2.590 16.166 ( 0.480 0.645 1.368) 1.586 16.194 ( -0.065 -1.827 -1.117) 2.142 16.277 ( -1.585 1.864 3.668) 4.409 16.302 ( -1.872 -0.435 3.017) 3.578 16.387 ( -1.879 2.882 -0.987) 3.579 16.441 ( -3.204 -2.696 -4.585) 6.210 17.371 ( 3.377 2.276 6.954) 8.059 17.421 ( 4.963 -2.747 8.008) 9.814 17.526 ( 1.517 4.191 -7.176) 8.447 17.606 ( 2.225 -3.772 -8.610) 9.660 17.786 ( -2.513 7.608 2.047) 8.269 17.863 ( -4.185 7.169 -4.196) 9.301 17.942 ( -5.546 -7.867 2.333) 9.904 18.017 ( -7.001 -8.052 -3.917) 11.366 19.861 ( 1.186 0.106 0.182) 1.205 19.864 ( 1.240 -0.202 -0.125) 1.262 19.957 ( -0.677 -0.355 0.774) 1.088 19.958 ( -0.646 -0.410 0.703) 1.039 21.304 ( 6.749 1.146 1.457) 6.999 21.315 ( 7.286 0.192 0.725) 7.325 21.506 ( 9.447 2.173 0.551) 9.710 21.559 ( 9.354 -2.847 -4.230) 10.654 22.268 ( -8.490 4.126 6.313) 11.355 22.339 ( -7.756 -1.777 2.340) 8.294 22.485 ( -4.542 1.879 -0.814) 4.982 22.570 ( -3.987 -5.434 -6.275) 9.209 24.085 ( 22.248 0.525 0.235) 22.255 24.091 ( 22.351 -0.061 -0.333) 22.354 24.466 ( 30.953 0.455 -0.051) 30.956 24.489 ( 30.642 -1.840 -2.382) 30.790 25.997 ( -15.026 0.426 0.431) 15.039 26.003 ( -14.962 -0.146 -0.125) 14.963 26.587 ( -15.844 0.112 0.811) 15.865 26.596 ( -15.755 -0.805 -0.142) 15.777 28.467 ( 5.253 4.065 2.013) 6.940 28.495 ( 5.264 3.225 -0.649) 6.208 28.618 ( 5.789 -3.524 3.192) 7.492 28.678 ( 5.875 -7.817 -2.592) 10.116 31.304 ( -0.379 0.177 0.176) 0.453 31.307 ( -0.401 -0.111 -0.113) 0.431 31.359 ( -1.263 -0.058 0.619) 1.408 31.364 ( -1.271 -0.562 0.113) 1.395 34.154 ( -3.764 0.665 1.654) 4.165 34.165 ( -4.094 -0.433 0.799) 4.193 34.281 ( -7.321 0.430 1.773) 7.545 34.303 ( -7.856 -1.689 0.067) 8.036 35.030 ( 4.959 3.647 3.389) 7.027 35.095 ( 4.602 0.853 -1.837) 5.028 35.171 ( 2.748 -2.844 2.355) 4.602 35.249 ( 2.837 -6.082 -3.882) 7.753 35.347 ( 4.163 5.933 0.561) 7.269 35.356 ( 4.416 4.446 -0.419) 6.281 35.475 ( 4.974 -4.503 1.096) 6.799 35.490 ( 4.876 -5.779 -0.291) 7.567 36.782 ( -6.222 14.120 5.464) 16.369 36.914 ( -9.987 13.998 -7.091) 18.600 37.039 ( -8.376 -9.178 5.358) 13.532 37.174 ( -11.148 -10.036 -7.476) 16.760 47.681 ( 0.835 1.062 -0.320) 1.389 47.688 ( 0.920 0.322 -0.951) 1.361 47.781 ( -0.511 0.331 1.012) 1.181 47.796 ( -0.629 -1.216 -0.439) 1.437 48.207 ( 1.469 1.019 0.313) 1.815 48.216 ( 1.025 0.236 -0.580) 1.202 48.459 ( -3.573 0.964 1.606) 4.035 48.486 ( -3.832 -1.657 -0.990) 4.290 97.952 ( 1.832 0.639 0.413) 1.983 97.953 ( 1.676 0.619 0.408) 1.833 98.369 ( -6.714 2.819 -1.134) 7.370 98.374 ( -6.554 2.122 -1.534) 7.057 99.605 ( -1.343 2.101 2.102) 3.262 99.642 ( -2.537 0.133 -1.092) 2.765 99.690 ( -3.364 -2.708 1.772) 4.668 99.711 ( -3.707 -3.206 -0.412) 4.919 104.803 ( 0.434 1.025 1.120) 1.579 104.814 ( 0.412 0.019 0.090) 0.422 104.929 ( -1.281 0.428 0.196) 1.364 104.935 ( -1.077 -0.248 -0.461) 1.198 105.122 ( 0.240 0.878 0.694) 1.144 105.130 ( 0.276 0.664 -0.102) 0.727 105.239 ( -4.737 -0.565 3.014) 5.643 105.276 ( -4.568 -3.707 -0.597) 5.913 ======================= Grid point 111 (44/45) ======================= q-point: ( 0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 11.419 2.769 -1.839) 11.893 1.817 ( 9.453 -3.417 -9.096) 13.556 2.156 ( -0.235 8.360 0.529) 8.380 2.207 ( -4.106 7.044 -5.967) 10.103 2.367 ( 4.149 -3.291 5.564) 7.681 2.452 ( 5.852 -7.937 -0.846) 9.897 2.500 ( 2.091 0.229 -4.606) 5.064 2.597 ( 3.417 -6.946 -7.552) 10.814 2.805 ( 6.038 0.409 0.154) 6.054 2.836 ( 5.545 -2.983 -3.091) 7.014 2.989 ( -0.522 0.616 -1.415) 1.629 3.024 ( -0.028 -2.024 -4.733) 5.148 3.178 ( 9.278 5.871 0.580) 10.995 3.229 ( 10.031 1.262 -4.354) 11.007 3.379 ( 16.678 -0.196 -1.916) 16.788 3.413 ( 17.652 -3.055 -4.493) 18.470 3.701 ( -0.669 4.830 2.868) 5.657 3.744 ( -0.858 4.497 -1.341) 4.771 3.838 ( 3.096 -0.123 2.432) 3.938 3.849 ( 4.847 1.762 1.576) 5.392 3.900 ( 4.005 1.583 4.441) 6.186 3.986 ( -0.825 -1.456 -3.341) 3.736 4.031 ( 1.038 0.543 4.199) 4.359 4.092 ( -2.456 -2.700 -2.161) 4.242 4.252 ( 5.263 4.953 2.360) 7.603 4.283 ( 3.741 1.122 -0.113) 3.907 4.450 ( 2.089 -2.786 1.550) 3.812 4.459 ( 3.956 -4.821 0.309) 6.244 4.682 ( 17.032 2.643 1.024) 17.267 4.713 ( 17.467 1.600 -0.530) 17.549 4.794 ( 12.623 1.326 2.461) 12.929 4.821 ( 9.787 -2.261 0.352) 10.051 5.205 ( -6.119 3.157 6.116) 9.209 5.273 ( -5.619 -2.540 2.808) 6.776 5.320 ( -4.310 2.533 -2.834) 5.746 5.357 ( -5.385 0.032 -2.928) 6.130 5.538 ( -6.419 -0.386 0.639) 6.463 5.547 ( -3.137 -2.146 3.248) 5.000 5.574 ( -11.352 2.835 -0.760) 11.725 5.596 ( -4.373 2.957 2.907) 6.027 5.636 ( -6.322 -3.340 -1.283) 7.265 5.675 ( -5.653 2.838 -3.037) 7.017 5.721 ( -6.577 -5.077 2.543) 8.689 5.757 ( -4.033 -5.461 -2.054) 7.093 6.147 ( -2.093 2.523 3.473) 4.775 6.183 ( -3.724 -0.698 2.309) 4.436 6.273 ( -1.399 -0.084 0.782) 1.604 6.309 ( -2.125 -2.342 -1.406) 3.461 6.451 ( -4.369 3.354 3.363) 6.453 6.541 ( -5.274 -1.052 -2.823) 6.073 6.595 ( -4.194 -1.364 -3.283) 5.498 6.653 ( -4.538 -2.617 -5.762) 7.787 6.851 ( -2.303 4.161 2.315) 5.289 6.862 ( -1.891 2.847 1.140) 3.603 6.929 ( -4.963 3.702 5.913) 8.562 6.983 ( -4.545 -1.349 1.712) 5.041 7.201 ( 0.397 -1.364 1.048) 1.765 7.226 ( 0.298 -5.297 1.016) 5.402 7.233 ( -1.889 -2.425 -0.219) 3.082 7.290 ( -2.663 -5.963 -3.731) 7.521 7.513 ( 1.245 1.877 -3.380) 4.061 7.530 ( 0.700 1.535 -5.977) 6.211 7.591 ( -1.957 -1.755 -1.293) 2.929 7.612 ( -1.501 -2.811 -3.373) 4.640 8.274 ( -1.274 1.897 -0.097) 2.287 8.289 ( -1.562 1.296 -1.157) 2.336 8.308 ( -1.244 -1.104 -0.500) 1.737 8.316 ( -1.567 -1.501 -1.291) 2.525 8.568 ( 2.571 5.866 3.845) 7.471 8.625 ( 1.768 1.015 -0.962) 2.255 8.671 ( -0.915 4.832 1.525) 5.149 8.703 ( -0.574 2.252 -1.177) 2.605 9.187 ( 2.919 -2.608 -0.567) 3.955 9.196 ( 2.274 -3.696 -1.324) 4.537 9.434 ( -6.763 -0.278 3.015) 7.410 9.458 ( -7.718 -2.545 0.933) 8.180 9.589 ( 0.056 0.400 1.007) 1.085 9.601 ( 0.466 -0.590 -0.171) 0.771 9.714 ( -2.940 2.301 2.877) 4.713 9.738 ( -3.211 -0.039 0.723) 3.291 10.075 ( 3.713 2.617 0.934) 4.637 10.105 ( 2.394 0.340 -1.631) 2.917 10.151 ( 3.259 -1.306 -0.798) 3.601 10.157 ( 1.774 -1.184 -1.151) 2.424 10.252 ( 1.099 1.152 1.332) 2.077 10.260 ( 1.061 0.541 0.619) 1.342 10.671 ( -13.647 -0.270 1.377) 13.719 10.690 ( -14.105 -2.118 -0.409) 14.269 11.478 ( 0.461 7.722 3.098) 8.333 11.503 ( -0.814 8.106 1.522) 8.288 11.603 ( 0.242 -2.491 1.698) 3.024 11.643 ( -1.326 -3.575 -0.702) 3.877 11.840 ( 4.454 2.630 -1.121) 5.292 11.871 ( 4.109 1.903 -3.398) 5.662 11.951 ( 3.340 -6.799 1.293) 7.685 11.996 ( 1.978 -8.240 -3.181) 9.051 14.541 ( 5.993 0.548 -0.227) 6.022 14.548 ( 6.019 -0.035 -0.892) 6.085 14.615 ( 2.684 -0.493 0.604) 2.795 14.629 ( 2.571 -1.777 -0.723) 3.208 15.300 ( -2.031 0.127 0.554) 2.109 15.306 ( -2.310 -0.460 -0.046) 2.356 15.336 ( -3.403 -0.103 0.031) 3.405 15.338 ( -3.435 -0.300 -0.043) 3.449 15.486 ( 2.228 4.324 0.968) 4.960 15.526 ( 2.876 0.433 -2.969) 4.156 15.582 ( -2.213 4.804 2.202) 5.730 15.637 ( -2.163 -0.581 -3.038) 3.774 16.064 ( 1.214 -0.701 1.555) 2.093 16.068 ( 0.693 -1.117 1.315) 1.860 16.142 ( -2.239 -0.427 0.880) 2.444 16.159 ( -2.549 -1.886 -1.005) 3.326 16.289 ( 2.252 1.497 2.659) 3.792 16.312 ( 2.153 -0.620 0.770) 2.369 16.375 ( -0.260 1.320 -0.719) 1.525 16.395 ( -1.627 -0.786 -2.804) 3.336 17.447 ( 3.786 3.650 4.686) 7.044 17.512 ( 3.319 -1.332 2.605) 4.424 17.554 ( 1.278 2.460 -0.534) 2.823 17.628 ( -0.247 -2.837 -3.281) 4.344 17.732 ( -2.088 5.111 -0.514) 5.545 17.779 ( -3.235 3.483 -3.816) 6.095 17.842 ( -3.859 -5.286 -0.011) 6.544 17.883 ( -5.450 -5.764 -2.896) 8.445 19.885 ( 1.064 0.258 0.424) 1.174 19.888 ( 1.014 -0.024 0.134) 1.023 19.937 ( -1.163 -0.379 0.771) 1.446 19.938 ( -1.125 -0.514 0.603) 1.376 21.477 ( 9.531 1.348 2.364) 9.912 21.499 ( 9.949 -0.787 0.728) 10.006 21.698 ( 6.873 1.815 -0.725) 7.146 21.738 ( 5.623 -2.139 -4.119) 7.291 22.100 ( -5.956 6.314 6.216) 10.676 22.186 ( -5.359 0.092 -0.546) 5.387 22.356 ( -7.223 -0.049 1.476) 7.372 22.445 ( -7.610 -6.575 -5.566) 11.495 24.594 ( 25.829 0.565 0.378) 25.838 24.602 ( 25.882 -0.190 -0.349) 25.885 25.115 ( 30.284 0.045 -0.282) 30.285 25.125 ( 29.603 -0.987 -1.330) 29.649 25.618 ( -20.989 0.499 0.478) 21.000 25.626 ( -20.931 -0.216 -0.214) 20.933 26.200 ( -21.182 0.239 0.516) 21.190 26.209 ( -21.279 -0.706 -0.418) 21.295 28.571 ( 4.321 5.075 1.529) 6.839 28.595 ( 3.745 5.084 -0.782) 6.363 28.717 ( 3.589 -5.857 2.555) 7.328 28.763 ( 2.113 -8.192 -1.925) 8.677 31.300 ( 0.056 0.156 0.213) 0.270 31.303 ( 0.055 -0.105 -0.041) 0.126 31.331 ( -1.317 -0.049 0.490) 1.406 31.336 ( -1.368 -0.484 0.047) 1.452 34.093 ( -1.799 0.537 1.097) 2.174 34.099 ( -1.994 -0.004 0.532) 2.063 34.154 ( -4.654 0.171 1.043) 4.773 34.165 ( -5.097 -0.917 0.072) 5.179 35.117 ( 3.288 3.930 1.941) 5.480 35.159 ( 1.498 4.326 -1.932) 4.968 35.229 ( 2.620 -6.440 2.575) 7.414 35.284 ( 0.473 -7.260 -2.476) 7.685 35.435 ( 3.761 8.362 0.284) 9.173 35.443 ( 3.499 7.746 -0.340) 8.507 35.579 ( 4.449 -5.635 0.698) 7.213 35.590 ( 4.082 -5.980 -0.304) 7.247 36.674 ( -3.534 11.155 2.350) 11.935 36.733 ( -6.685 12.276 -3.358) 14.376 36.884 ( -5.738 -9.395 2.993) 11.409 36.956 ( -8.960 -9.785 -4.010) 13.860 47.704 ( 1.369 0.882 0.123) 1.633 47.713 ( 1.395 0.109 -0.639) 1.538 47.764 ( -1.020 0.287 0.784) 1.318 47.777 ( -1.178 -0.920 -0.393) 1.546 48.248 ( 2.283 0.471 0.099) 2.333 48.251 ( 2.612 0.131 -0.201) 2.623 48.381 ( -3.793 0.841 1.157) 4.054 48.401 ( -4.139 -1.191 -0.851) 4.390 98.006 ( 3.483 0.768 0.314) 3.580 98.009 ( 3.624 0.461 0.021) 3.653 98.225 ( -6.718 1.910 -0.111) 6.985 98.232 ( -6.732 1.146 -0.750) 6.870 99.581 ( -0.861 2.253 1.373) 2.775 99.594 ( -1.761 2.068 0.490) 2.760 99.643 ( -1.331 -3.509 0.221) 3.760 99.652 ( -1.885 -3.452 -0.638) 3.984 104.821 ( 1.220 1.072 0.904) 1.859 104.831 ( 1.195 0.127 -0.100) 1.205 104.897 ( -1.756 0.534 0.588) 1.928 104.906 ( -1.676 -0.346 -0.359) 1.749 105.126 ( 0.196 0.663 0.657) 0.953 105.133 ( 0.071 0.882 -0.153) 0.898 105.166 ( -2.122 -0.607 1.790) 2.842 105.198 ( -2.858 -2.786 -1.145) 4.152 ======================= Grid point 112 (45/45) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -5.656 5.821 -3.802) 8.963 1.960 ( 5.656 5.821 -3.802) 8.963 2.062 ( -4.230 -5.061 -7.658) 10.107 2.062 ( 4.230 -5.061 -7.658) 10.107 2.482 ( -3.798 3.853 0.712) 5.457 2.482 ( 3.798 3.853 0.712) 5.457 2.596 ( -4.153 -6.634 1.082) 7.901 2.596 ( 4.153 -6.634 1.082) 7.901 2.910 ( -4.896 0.081 -1.724) 5.191 2.910 ( 4.896 0.081 -1.724) 5.191 2.945 ( -5.311 -3.633 -6.088) 8.859 2.945 ( 5.311 -3.633 -6.088) 8.859 3.360 ( -2.824 12.698 -3.204) 13.398 3.360 ( 2.824 12.698 -3.204) 13.398 3.570 ( -2.045 -6.689 -1.745) 7.208 3.570 ( 2.045 -6.689 -1.745) 7.208 3.741 ( -1.826 2.252 0.043) 2.900 3.741 ( 1.826 2.252 0.043) 2.900 3.779 ( -2.403 -0.558 0.584) 2.535 3.779 ( 2.403 -0.558 0.584) 2.535 4.025 ( -2.325 2.508 3.375) 4.805 4.025 ( 2.325 2.508 3.375) 4.805 4.063 ( -2.738 -1.816 0.858) 3.396 4.063 ( 2.738 -1.816 0.858) 3.396 4.329 ( -1.068 3.649 1.026) 3.938 4.329 ( 1.068 3.649 1.026) 3.938 4.415 ( -1.103 -4.489 1.334) 4.811 4.415 ( 1.103 -4.489 1.334) 4.811 4.996 ( -8.340 3.481 0.161) 9.038 4.996 ( 8.340 3.481 0.161) 9.038 5.057 ( -5.677 -2.229 -0.511) 6.120 5.057 ( 5.677 -2.229 -0.511) 6.120 5.169 ( -6.346 4.230 0.798) 7.668 5.169 ( 6.346 4.230 0.798) 7.668 5.238 ( -4.926 -2.861 1.552) 5.904 5.238 ( 4.926 -2.861 1.552) 5.904 5.375 ( -3.467 1.505 2.544) 4.556 5.375 ( 3.467 1.505 2.544) 4.556 5.440 ( -2.326 -4.439 -0.449) 5.032 5.440 ( 2.326 -4.439 -0.449) 5.032 5.600 ( -1.060 4.809 1.775) 5.235 5.600 ( 1.060 4.809 1.775) 5.235 5.705 ( -2.336 -4.979 -0.810) 5.559 5.705 ( 2.336 -4.979 -0.810) 5.559 6.175 ( -1.389 3.130 0.766) 3.509 6.175 ( 1.389 3.130 0.766) 3.509 6.253 ( -2.103 -4.153 0.722) 4.711 6.253 ( 2.103 -4.153 0.722) 4.711 6.445 ( -3.514 4.890 -1.673) 6.249 6.445 ( 3.514 4.890 -1.673) 6.249 6.563 ( -2.568 -6.228 -1.846) 6.986 6.563 ( 2.568 -6.228 -1.846) 6.986 6.843 ( -2.096 5.124 3.685) 6.650 6.843 ( 2.096 5.124 3.685) 6.650 6.885 ( -3.360 1.697 0.237) 3.772 6.885 ( 3.360 1.697 0.237) 3.772 7.207 ( -0.286 -2.657 1.637) 3.134 7.207 ( 0.286 -2.657 1.637) 3.134 7.259 ( -1.325 -7.347 -1.557) 7.626 7.259 ( 1.325 -7.347 -1.557) 7.626 7.532 ( -0.738 2.989 -3.634) 4.763 7.532 ( 0.738 2.989 -3.634) 4.763 7.588 ( -1.029 -2.735 -3.917) 4.886 7.588 ( 1.029 -2.735 -3.917) 4.886 8.263 ( -0.500 1.236 -0.529) 1.434 8.263 ( 0.500 1.236 -0.529) 1.434 8.293 ( -0.296 -1.589 -1.069) 1.938 8.293 ( 0.296 -1.589 -1.069) 1.938 8.622 ( -2.372 6.451 1.344) 7.003 8.622 ( 2.372 6.451 1.344) 7.003 8.676 ( -1.759 1.842 0.232) 2.557 8.676 ( 1.759 1.842 0.232) 2.557 9.258 ( -0.548 0.219 0.434) 0.732 9.258 ( 0.548 0.219 0.434) 0.732 9.327 ( -1.163 -5.939 0.651) 6.087 9.327 ( 1.163 -5.939 0.651) 6.087 9.628 ( -2.200 2.312 1.222) 3.417 9.628 ( 2.200 2.312 1.222) 3.417 9.657 ( -2.459 -0.455 0.662) 2.587 9.657 ( 2.459 -0.455 0.662) 2.587 10.149 ( -0.988 2.895 -0.070) 3.060 10.149 ( 0.988 2.895 -0.070) 3.060 10.190 ( -0.491 -0.998 -0.040) 1.113 10.190 ( 0.491 -0.998 -0.040) 1.113 10.363 ( -4.623 0.812 0.416) 4.712 10.363 ( 4.623 0.812 0.416) 4.712 10.403 ( -4.888 -2.700 0.078) 5.585 10.403 ( 4.888 -2.700 0.078) 5.585 11.486 ( -0.564 8.866 2.299) 9.176 11.486 ( 0.564 8.866 2.299) 9.176 11.617 ( -1.028 -3.831 -0.334) 3.980 11.617 ( 1.028 -3.831 -0.334) 3.980 11.907 ( -1.081 2.179 -0.431) 2.470 11.907 ( 1.081 2.179 -0.431) 2.470 12.003 ( -1.357 -7.658 -1.061) 7.849 12.003 ( 1.357 -7.658 -1.061) 7.849 14.615 ( -0.515 1.148 -0.126) 1.264 14.615 ( 0.515 1.148 -0.126) 1.264 14.646 ( -0.738 -1.973 -0.553) 2.178 14.646 ( 0.738 -1.973 -0.553) 2.178 15.284 ( -0.318 0.223 0.129) 0.409 15.284 ( 0.318 0.223 0.129) 0.409 15.293 ( -0.223 -0.662 -0.127) 0.710 15.293 ( 0.223 -0.662 -0.127) 0.710 15.533 ( -2.220 5.046 2.112) 5.903 15.533 ( 2.220 5.046 2.112) 5.903 15.587 ( -2.629 -0.169 -3.012) 4.001 15.587 ( 2.629 -0.169 -3.012) 4.001 16.087 ( -0.608 -0.379 0.657) 0.972 16.087 ( 0.608 -0.379 0.657) 0.972 16.112 ( -1.060 -2.601 0.063) 2.810 16.112 ( 1.060 -2.601 0.063) 2.810 16.344 ( -2.341 1.369 0.311) 2.730 16.344 ( 2.341 1.369 0.311) 2.730 16.361 ( -1.811 -0.132 -0.583) 1.907 16.361 ( 1.811 -0.132 -0.583) 1.907 17.519 ( -2.548 4.517 1.387) 5.368 17.519 ( 2.548 4.517 1.387) 5.368 17.595 ( -2.441 -2.280 0.898) 3.459 17.595 ( 2.441 -2.280 0.898) 3.459 17.730 ( -1.810 2.290 -0.885) 3.050 17.730 ( 1.810 2.290 -0.885) 3.050 17.808 ( -1.316 -4.736 -2.909) 5.712 17.808 ( 1.316 -4.736 -2.909) 5.712 19.903 ( -0.190 0.664 0.418) 0.808 19.903 ( 0.190 0.664 0.418) 0.808 19.919 ( -0.160 -0.946 0.571) 1.116 19.919 ( 0.160 -0.946 0.571) 1.116 21.668 ( -5.133 1.803 1.197) 5.570 21.668 ( 5.133 1.803 1.197) 5.570 21.709 ( -5.115 -2.407 0.678) 5.694 21.709 ( 5.115 -2.407 0.678) 5.694 22.114 ( -5.130 9.209 -1.039) 10.593 22.114 ( 5.130 9.209 -1.039) 10.593 22.291 ( -4.751 -8.486 -0.956) 9.773 22.291 ( 4.751 -8.486 -0.956) 9.773 25.131 ( -24.659 0.523 0.435) 24.669 25.131 ( 24.659 0.523 0.435) 24.669 25.139 ( -24.644 -0.283 -0.319) 24.647 25.139 ( 24.644 -0.283 -0.319) 24.647 25.697 ( -4.740 1.112 -0.364) 4.883 25.697 ( 4.740 1.112 -0.364) 4.883 25.724 ( -5.007 -1.602 -0.228) 5.262 25.724 ( 5.007 -1.602 -0.228) 5.262 28.628 ( -0.745 6.088 0.431) 6.149 28.628 ( 0.745 6.088 0.431) 6.149 28.769 ( -1.338 -7.926 0.209) 8.041 28.769 ( 1.338 -7.926 0.209) 8.041 31.309 ( -0.782 0.055 0.323) 0.848 31.309 ( 0.782 0.055 0.323) 0.848 31.312 ( -0.836 -0.270 0.004) 0.879 31.312 ( 0.836 -0.270 0.004) 0.879 34.083 ( -0.395 0.863 0.627) 1.137 34.083 ( 0.395 0.863 0.627) 1.137 34.100 ( -0.541 -0.853 0.466) 1.113 34.100 ( 0.541 -0.853 0.466) 1.113 35.163 ( -1.028 4.139 0.136) 4.267 35.163 ( 1.028 4.139 0.136) 4.267 35.272 ( -1.431 -6.906 -0.057) 7.053 35.272 ( 1.431 -6.906 -0.057) 7.053 35.481 ( -0.198 9.081 -0.077) 9.083 35.481 ( 0.198 9.081 -0.077) 9.083 35.634 ( -0.316 -5.841 0.141) 5.851 35.634 ( 0.316 -5.841 0.141) 5.851 36.650 ( -1.315 9.718 -0.337) 9.813 36.650 ( 1.315 9.718 -0.337) 9.813 36.836 ( -1.842 -8.822 -0.478) 9.025 36.836 ( 1.842 -8.822 -0.478) 9.025 47.732 ( -0.761 1.007 0.227) 1.282 47.732 ( 0.761 1.007 0.227) 1.282 47.750 ( -0.865 -0.856 -0.209) 1.235 47.750 ( 0.865 -0.856 -0.209) 1.235 48.306 ( -3.138 0.683 0.621) 3.271 48.306 ( 3.138 0.683 0.621) 3.271 48.319 ( -3.590 -0.611 -0.554) 3.683 48.319 ( 3.590 -0.611 -0.554) 3.683 98.098 ( -4.632 1.203 0.172) 4.788 98.098 ( 4.632 1.203 0.172) 4.788 98.104 ( -4.738 0.561 -0.267) 4.779 98.104 ( 4.738 0.561 -0.267) 4.779 99.574 ( -0.258 2.268 0.902) 2.454 99.574 ( 0.258 2.268 0.902) 2.454 99.631 ( -0.219 -3.409 -0.376) 3.437 99.631 ( 0.219 -3.409 -0.376) 3.437 104.849 ( -0.876 1.518 0.399) 1.797 104.849 ( 0.876 1.518 0.399) 1.797 104.873 ( -0.868 -0.797 0.151) 1.188 104.873 ( 0.868 -0.797 0.151) 1.188 105.130 ( -0.301 0.872 0.666) 1.138 105.130 ( 0.301 0.872 0.666) 1.138 105.157 ( -1.088 -1.699 -0.429) 2.062 105.157 ( 1.088 -1.699 -0.429) 2.062 =================== 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 3/38400 10.0 42.660 46.121 43.282 0.000 0.000 -0.000 3/38400 20.0 8.936 8.360 6.808 0.000 0.000 -0.000 3/38400 30.0 4.371 3.648 2.802 0.000 0.000 -0.000 3/38400 40.0 2.774 2.132 1.620 0.000 0.000 -0.000 3/38400 50.0 1.990 1.447 1.098 0.000 0.000 -0.000 3/38400 60.0 1.539 1.076 0.817 0.000 0.000 -0.000 3/38400 70.0 1.252 0.850 0.647 0.000 0.000 -0.000 3/38400 80.0 1.055 0.701 0.535 0.000 0.000 -0.000 3/38400 90.0 0.913 0.597 0.456 0.000 0.000 -0.000 3/38400 100.0 0.805 0.521 0.399 0.000 0.000 -0.000 3/38400 110.0 0.722 0.462 0.355 0.000 0.000 -0.000 3/38400 120.0 0.656 0.417 0.320 0.000 0.000 -0.000 3/38400 130.0 0.602 0.380 0.293 0.000 0.000 -0.000 3/38400 140.0 0.557 0.349 0.270 0.000 0.000 -0.000 3/38400 150.0 0.520 0.324 0.251 0.000 0.000 -0.000 3/38400 160.0 0.488 0.303 0.234 0.000 0.000 -0.000 3/38400 170.0 0.461 0.284 0.221 0.000 0.000 -0.000 3/38400 180.0 0.438 0.268 0.209 0.000 0.000 -0.000 3/38400 190.0 0.418 0.255 0.198 0.000 0.000 -0.000 3/38400 200.0 0.400 0.243 0.189 0.000 0.000 -0.000 3/38400 210.0 0.384 0.232 0.180 0.000 0.000 -0.000 3/38400 220.0 0.370 0.223 0.173 0.000 0.000 -0.000 3/38400 230.0 0.358 0.214 0.166 0.000 0.000 -0.000 3/38400 240.0 0.346 0.207 0.160 0.000 0.000 -0.000 3/38400 250.0 0.336 0.200 0.154 0.000 0.000 -0.000 3/38400 260.0 0.327 0.194 0.149 0.000 0.000 -0.000 3/38400 270.0 0.318 0.189 0.144 0.000 0.000 -0.000 3/38400 280.0 0.310 0.184 0.140 0.000 0.000 -0.000 3/38400 290.0 0.303 0.180 0.136 0.000 0.000 -0.000 3/38400 300.0 0.296 0.176 0.132 0.000 0.000 -0.000 3/38400 310.0 0.290 0.173 0.129 0.000 0.000 -0.000 3/38400 320.0 0.284 0.169 0.126 0.000 0.000 -0.000 3/38400 330.0 0.278 0.166 0.123 0.000 0.000 -0.000 3/38400 340.0 0.272 0.164 0.120 0.000 0.000 -0.000 3/38400 350.0 0.267 0.161 0.117 0.000 0.000 -0.000 3/38400 360.0 0.262 0.159 0.115 0.000 0.000 -0.000 3/38400 370.0 0.258 0.156 0.112 0.000 0.000 -0.000 3/38400 380.0 0.253 0.154 0.110 0.000 0.000 -0.000 3/38400 390.0 0.249 0.152 0.108 0.000 0.000 -0.000 3/38400 400.0 0.245 0.151 0.106 0.000 0.000 -0.000 3/38400 410.0 0.241 0.149 0.104 0.000 0.000 -0.000 3/38400 420.0 0.237 0.147 0.102 0.000 0.000 -0.000 3/38400 430.0 0.234 0.146 0.100 0.000 0.000 -0.000 3/38400 440.0 0.230 0.144 0.099 0.000 0.000 -0.000 3/38400 450.0 0.227 0.143 0.097 0.000 0.000 -0.000 3/38400 460.0 0.223 0.141 0.095 0.000 0.000 -0.000 3/38400 470.0 0.220 0.140 0.094 0.000 0.000 -0.000 3/38400 480.0 0.217 0.138 0.092 0.000 0.000 -0.000 3/38400 490.0 0.214 0.137 0.091 0.000 0.000 -0.000 3/38400 500.0 0.211 0.136 0.090 0.000 0.000 -0.000 3/38400 510.0 0.208 0.135 0.088 0.000 0.000 -0.000 3/38400 520.0 0.205 0.133 0.087 0.000 0.000 -0.000 3/38400 530.0 0.203 0.132 0.086 0.000 0.000 -0.000 3/38400 540.0 0.200 0.131 0.085 0.000 0.000 -0.000 3/38400 550.0 0.197 0.130 0.083 0.000 0.000 -0.000 3/38400 560.0 0.195 0.129 0.082 0.000 0.000 -0.000 3/38400 570.0 0.192 0.128 0.081 0.000 0.000 -0.000 3/38400 580.0 0.190 0.126 0.080 0.000 0.000 -0.000 3/38400 590.0 0.188 0.125 0.079 0.000 0.000 -0.000 3/38400 600.0 0.185 0.124 0.078 0.000 0.000 -0.000 3/38400 610.0 0.183 0.123 0.077 0.000 0.000 -0.000 3/38400 620.0 0.181 0.122 0.076 0.000 0.000 -0.000 3/38400 630.0 0.179 0.121 0.075 0.000 0.000 -0.000 3/38400 640.0 0.177 0.120 0.074 0.000 0.000 -0.000 3/38400 650.0 0.175 0.119 0.073 0.000 0.000 -0.000 3/38400 660.0 0.173 0.118 0.073 0.000 0.000 -0.000 3/38400 670.0 0.171 0.117 0.072 0.000 0.000 -0.000 3/38400 680.0 0.169 0.116 0.071 0.000 0.000 -0.000 3/38400 690.0 0.167 0.115 0.070 0.000 0.000 -0.000 3/38400 700.0 0.165 0.114 0.069 0.000 0.000 -0.000 3/38400 710.0 0.163 0.113 0.069 0.000 0.000 -0.000 3/38400 720.0 0.162 0.112 0.068 0.000 0.000 -0.000 3/38400 730.0 0.160 0.112 0.067 0.000 0.000 -0.000 3/38400 740.0 0.158 0.111 0.066 0.000 0.000 -0.000 3/38400 750.0 0.157 0.110 0.066 0.000 0.000 -0.000 3/38400 760.0 0.155 0.109 0.065 0.000 0.000 -0.000 3/38400 770.0 0.154 0.108 0.064 0.000 0.000 -0.000 3/38400 780.0 0.152 0.107 0.064 0.000 0.000 -0.000 3/38400 790.0 0.150 0.106 0.063 0.000 0.000 -0.000 3/38400 800.0 0.149 0.105 0.062 0.000 0.000 -0.000 3/38400 810.0 0.147 0.105 0.062 0.000 0.000 -0.000 3/38400 820.0 0.146 0.104 0.061 0.000 0.000 -0.000 3/38400 830.0 0.145 0.103 0.060 0.000 0.000 -0.000 3/38400 840.0 0.143 0.102 0.060 0.000 0.000 -0.000 3/38400 850.0 0.142 0.101 0.059 0.000 0.000 -0.000 3/38400 860.0 0.141 0.101 0.059 0.000 0.000 -0.000 3/38400 870.0 0.139 0.100 0.058 0.000 0.000 -0.000 3/38400 880.0 0.138 0.099 0.058 0.000 0.000 -0.000 3/38400 890.0 0.137 0.098 0.057 0.000 0.000 -0.000 3/38400 900.0 0.135 0.098 0.057 0.000 0.000 -0.000 3/38400 910.0 0.134 0.097 0.056 0.000 0.000 -0.000 3/38400 920.0 0.133 0.096 0.056 0.000 0.000 -0.000 3/38400 930.0 0.132 0.095 0.055 0.000 0.000 -0.000 3/38400 940.0 0.131 0.095 0.055 0.000 0.000 -0.000 3/38400 950.0 0.130 0.094 0.054 0.000 0.000 -0.000 3/38400 960.0 0.128 0.093 0.054 0.000 0.000 -0.000 3/38400 970.0 0.127 0.093 0.053 0.000 0.000 -0.000 3/38400 980.0 0.126 0.092 0.053 0.000 0.000 -0.000 3/38400 990.0 0.125 0.091 0.052 0.000 0.000 -0.000 3/38400 1000.0 0.124 0.091 0.052 0.000 0.000 -0.000 3/38400 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:20:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|