----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:17:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.208117800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.990221490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.767996459999999 Atomic positions (fractional): *1 O 0.16337290688880 0.46797844224960 0.27625717684120 15.999 2 O 0.33662709311119 0.53202155775040 0.77625717684120 15.999 3 O 0.83662709311119 0.96797844224960 0.72374282315880 15.999 4 O 0.66337290688881 0.03202155775040 0.22374282315880 15.999 5 O 0.83662709311119 0.53202155775040 0.72374282315880 15.999 6 O 0.66337290688881 0.46797844224960 0.22374282315880 15.999 7 O 0.16337290688880 0.03202155775040 0.27625717684120 15.999 8 O 0.33662709311119 0.96797844224960 0.77625717684120 15.999 *9 O 0.55402802760125 0.75000000000000 0.77807030961306 15.999 10 O 0.94597197239875 0.25000000000000 0.27807030961306 15.999 11 O 0.44597197239875 0.25000000000000 0.22192969038694 15.999 12 O 0.05402802760125 0.75000000000000 0.72192969038694 15.999 *13 O 0.40827186806593 0.75000000000000 0.26805000145746 15.999 14 O 0.09172813193407 0.25000000000000 0.76805000145746 15.999 15 O 0.59172813193407 0.25000000000000 0.73194999854254 15.999 16 O 0.90827186806593 0.75000000000000 0.23194999854254 15.999 *17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 19 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *21 Mg 0.72328598809538 0.75000000000000 0.00852008942606 24.305 22 Mg 0.77671401190462 0.25000000000000 0.50852008942606 24.305 23 Mg 0.27671401190462 0.25000000000000 0.99147991057394 24.305 24 Mg 0.22328598809538 0.75000000000000 0.49147991057394 24.305 *25 Si 0.40621689143689 0.75000000000000 0.92686475733409 28.085 26 Si 0.09378310856311 0.25000000000000 0.42686475733409 28.085 27 Si 0.59378310856311 0.25000000000000 0.07313524266591 28.085 28 Si 0.90621689143689 0.75000000000000 0.57313524266591 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.208117800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.990221490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.767996459999999 Atomic positions (fractional): *1 O 0.16337290688880 0.46797844224960 0.27625717684120 15.999 > 1 2 O 0.33662709311119 0.53202155775040 0.77625717684120 15.999 > 2 3 O 0.83662709311119 0.96797844224960 0.72374282315880 15.999 > 3 4 O 0.66337290688881 0.03202155775040 0.22374282315880 15.999 > 4 5 O 0.83662709311119 0.53202155775040 0.72374282315880 15.999 > 5 6 O 0.66337290688881 0.46797844224960 0.22374282315880 15.999 > 6 7 O 0.16337290688880 0.03202155775040 0.27625717684120 15.999 > 7 8 O 0.33662709311119 0.96797844224960 0.77625717684120 15.999 > 8 *9 O 0.55402802760125 0.75000000000000 0.77807030961306 15.999 > 9 10 O 0.94597197239875 0.25000000000000 0.27807030961306 15.999 > 10 11 O 0.44597197239875 0.25000000000000 0.22192969038694 15.999 > 11 12 O 0.05402802760125 0.75000000000000 0.72192969038694 15.999 > 12 *13 O 0.40827186806593 0.75000000000000 0.26805000145746 15.999 > 13 14 O 0.09172813193407 0.25000000000000 0.76805000145746 15.999 > 14 15 O 0.59172813193407 0.25000000000000 0.73194999854254 15.999 > 15 16 O 0.90827186806593 0.75000000000000 0.23194999854254 15.999 > 16 *17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 17 18 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 18 19 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 19 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 20 *21 Mg 0.72328598809538 0.75000000000000 0.00852008942606 24.305 > 21 22 Mg 0.77671401190462 0.25000000000000 0.50852008942606 24.305 > 22 23 Mg 0.27671401190462 0.25000000000000 0.99147991057394 24.305 > 23 24 Mg 0.22328598809538 0.75000000000000 0.49147991057394 24.305 > 24 *25 Si 0.40621689143689 0.75000000000000 0.92686475733409 28.085 > 25 26 Si 0.09378310856311 0.25000000000000 0.42686475733409 28.085 > 26 27 Si 0.59378310856311 0.25000000000000 0.07313524266591 28.085 > 27 28 Si 0.90621689143689 0.75000000000000 0.57313524266591 28.085 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.208117800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.980442979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.535992919999998 Atomic positions (fractional): *1 O 0.16337290688880 0.23398922112480 0.13812858842060 15.999 > 1 2 O 0.16337290688880 0.73398922112480 0.13812858842060 15.999 > 1 3 O 0.16337290688880 0.23398922112480 0.63812858842060 15.999 > 1 4 O 0.16337290688880 0.73398922112480 0.63812858842060 15.999 > 1 5 O 0.33662709311119 0.26601077887520 0.38812858842060 15.999 > 2 6 O 0.33662709311119 0.76601077887520 0.38812858842060 15.999 > 2 7 O 0.33662709311119 0.26601077887520 0.88812858842060 15.999 > 2 8 O 0.33662709311119 0.76601077887520 0.88812858842060 15.999 > 2 9 O 0.83662709311119 0.48398922112480 0.36187141157940 15.999 > 3 10 O 0.83662709311119 0.98398922112480 0.36187141157940 15.999 > 3 11 O 0.83662709311119 0.48398922112480 0.86187141157940 15.999 > 3 12 O 0.83662709311119 0.98398922112480 0.86187141157940 15.999 > 3 13 O 0.66337290688881 0.01601077887520 0.11187141157940 15.999 > 4 14 O 0.66337290688881 0.51601077887520 0.11187141157940 15.999 > 4 15 O 0.66337290688881 0.01601077887520 0.61187141157940 15.999 > 4 16 O 0.66337290688881 0.51601077887520 0.61187141157940 15.999 > 4 17 O 0.83662709311119 0.26601077887520 0.36187141157940 15.999 > 5 18 O 0.83662709311119 0.76601077887520 0.36187141157940 15.999 > 5 19 O 0.83662709311119 0.26601077887520 0.86187141157940 15.999 > 5 20 O 0.83662709311119 0.76601077887520 0.86187141157940 15.999 > 5 21 O 0.66337290688881 0.23398922112480 0.11187141157940 15.999 > 6 22 O 0.66337290688881 0.73398922112480 0.11187141157940 15.999 > 6 23 O 0.66337290688881 0.23398922112480 0.61187141157940 15.999 > 6 24 O 0.66337290688881 0.73398922112480 0.61187141157940 15.999 > 6 25 O 0.16337290688880 0.01601077887520 0.13812858842060 15.999 > 7 26 O 0.16337290688880 0.51601077887520 0.13812858842060 15.999 > 7 27 O 0.16337290688880 0.01601077887520 0.63812858842060 15.999 > 7 28 O 0.16337290688880 0.51601077887520 0.63812858842060 15.999 > 7 29 O 0.33662709311119 0.48398922112480 0.38812858842060 15.999 > 8 30 O 0.33662709311119 0.98398922112480 0.38812858842060 15.999 > 8 31 O 0.33662709311119 0.48398922112480 0.88812858842060 15.999 > 8 32 O 0.33662709311119 0.98398922112480 0.88812858842060 15.999 > 8 *33 O 0.55402802760125 0.37500000000000 0.38903515480653 15.999 > 9 34 O 0.55402802760125 0.87500000000000 0.38903515480653 15.999 > 9 35 O 0.55402802760125 0.37500000000000 0.88903515480653 15.999 > 9 36 O 0.55402802760125 0.87500000000000 0.88903515480653 15.999 > 9 37 O 0.94597197239875 0.12500000000000 0.13903515480653 15.999 > 10 38 O 0.94597197239875 0.62500000000000 0.13903515480653 15.999 > 10 39 O 0.94597197239875 0.12500000000000 0.63903515480653 15.999 > 10 40 O 0.94597197239875 0.62500000000000 0.63903515480653 15.999 > 10 41 O 0.44597197239875 0.12500000000000 0.11096484519347 15.999 > 11 42 O 0.44597197239875 0.62500000000000 0.11096484519347 15.999 > 11 43 O 0.44597197239875 0.12500000000000 0.61096484519347 15.999 > 11 44 O 0.44597197239875 0.62500000000000 0.61096484519347 15.999 > 11 45 O 0.05402802760125 0.37500000000000 0.36096484519347 15.999 > 12 46 O 0.05402802760125 0.87500000000000 0.36096484519347 15.999 > 12 47 O 0.05402802760125 0.37500000000000 0.86096484519347 15.999 > 12 48 O 0.05402802760125 0.87500000000000 0.86096484519347 15.999 > 12 *49 O 0.40827186806593 0.37500000000000 0.13402500072873 15.999 > 13 50 O 0.40827186806593 0.87500000000000 0.13402500072873 15.999 > 13 51 O 0.40827186806593 0.37500000000000 0.63402500072873 15.999 > 13 52 O 0.40827186806593 0.87500000000000 0.63402500072873 15.999 > 13 53 O 0.09172813193407 0.12500000000000 0.38402500072873 15.999 > 14 54 O 0.09172813193407 0.62500000000000 0.38402500072873 15.999 > 14 55 O 0.09172813193407 0.12500000000000 0.88402500072873 15.999 > 14 56 O 0.09172813193407 0.62500000000000 0.88402500072873 15.999 > 14 57 O 0.59172813193407 0.12500000000000 0.36597499927127 15.999 > 15 58 O 0.59172813193407 0.62500000000000 0.36597499927127 15.999 > 15 59 O 0.59172813193407 0.12500000000000 0.86597499927127 15.999 > 15 60 O 0.59172813193407 0.62500000000000 0.86597499927127 15.999 > 15 61 O 0.90827186806593 0.37500000000000 0.11597499927127 15.999 > 16 62 O 0.90827186806593 0.87500000000000 0.11597499927127 15.999 > 16 63 O 0.90827186806593 0.37500000000000 0.61597499927127 15.999 > 16 64 O 0.90827186806593 0.87500000000000 0.61597499927127 15.999 > 16 *65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 17 66 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 17 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 17 68 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 17 69 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 18 70 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 18 71 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 18 72 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 18 73 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 19 74 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 19 75 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 19 76 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 19 77 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 20 78 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 20 79 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 20 80 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 20 *81 Mg 0.72328598809538 0.37500000000000 0.00426004471303 24.305 > 21 82 Mg 0.72328598809538 0.87500000000000 0.00426004471303 24.305 > 21 83 Mg 0.72328598809538 0.37500000000000 0.50426004471303 24.305 > 21 84 Mg 0.72328598809538 0.87500000000000 0.50426004471303 24.305 > 21 85 Mg 0.77671401190462 0.12500000000000 0.25426004471303 24.305 > 22 86 Mg 0.77671401190462 0.62500000000000 0.25426004471303 24.305 > 22 87 Mg 0.77671401190462 0.12500000000000 0.75426004471303 24.305 > 22 88 Mg 0.77671401190462 0.62500000000000 0.75426004471303 24.305 > 22 89 Mg 0.27671401190462 0.12500000000000 0.49573995528697 24.305 > 23 90 Mg 0.27671401190462 0.62500000000000 0.49573995528697 24.305 > 23 91 Mg 0.27671401190462 0.12500000000000 0.99573995528697 24.305 > 23 92 Mg 0.27671401190462 0.62500000000000 0.99573995528697 24.305 > 23 93 Mg 0.22328598809538 0.37500000000000 0.24573995528697 24.305 > 24 94 Mg 0.22328598809538 0.87500000000000 0.24573995528697 24.305 > 24 95 Mg 0.22328598809538 0.37500000000000 0.74573995528697 24.305 > 24 96 Mg 0.22328598809538 0.87500000000000 0.74573995528697 24.305 > 24 *97 Si 0.40621689143689 0.37500000000000 0.46343237866705 28.085 > 25 98 Si 0.40621689143689 0.87500000000000 0.46343237866705 28.085 > 25 99 Si 0.40621689143689 0.37500000000000 0.96343237866705 28.085 > 25 100 Si 0.40621689143689 0.87500000000000 0.96343237866705 28.085 > 25 101 Si 0.09378310856311 0.12500000000000 0.21343237866705 28.085 > 26 102 Si 0.09378310856311 0.62500000000000 0.21343237866705 28.085 > 26 103 Si 0.09378310856311 0.12500000000000 0.71343237866705 28.085 > 26 104 Si 0.09378310856311 0.62500000000000 0.71343237866705 28.085 > 26 105 Si 0.59378310856311 0.12500000000000 0.03656762133295 28.085 > 27 106 Si 0.59378310856311 0.62500000000000 0.03656762133295 28.085 > 27 107 Si 0.59378310856311 0.12500000000000 0.53656762133295 28.085 > 27 108 Si 0.59378310856311 0.62500000000000 0.53656762133295 28.085 > 27 109 Si 0.90621689143689 0.37500000000000 0.28656762133295 28.085 > 28 110 Si 0.90621689143689 0.87500000000000 0.28656762133295 28.085 > 28 111 Si 0.90621689143689 0.37500000000000 0.78656762133295 28.085 > 28 112 Si 0.90621689143689 0.87500000000000 0.78656762133295 28.085 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8464183 0.0000000 0.0000000 0.0000000 2.9075253 0.0000000 0.0000000 0.0000000 2.9680192 -------------------------- Born effective charges -------------------------- 1 O -1.6182201 -0.2175546 0.1082058 -0.2398774 -1.9563980 0.1007881 0.0855874 0.0333560 -1.6081408 2 O -1.6182201 -0.2175546 -0.1082058 -0.2398774 -1.9563980 -0.1007881 -0.0855874 -0.0333560 -1.6081408 3 O -1.6182201 0.2175546 0.1082058 0.2398774 -1.9563980 -0.1007881 0.0855874 -0.0333560 -1.6081408 4 O -1.6182201 0.2175546 -0.1082058 0.2398774 -1.9563980 0.1007881 -0.0855874 0.0333560 -1.6081408 5 O -1.6182201 -0.2175546 0.1082058 -0.2398774 -1.9563980 0.1007881 0.0855874 0.0333560 -1.6081408 6 O -1.6182201 -0.2175546 -0.1082058 -0.2398774 -1.9563980 -0.1007881 -0.0855874 -0.0333560 -1.6081408 7 O -1.6182201 0.2175546 0.1082058 0.2398774 -1.9563980 -0.1007881 0.0855874 -0.0333560 -1.6081408 8 O -1.6182201 0.2175546 -0.1082058 0.2398774 -1.9563980 0.1007881 -0.0855874 0.0333560 -1.6081408 9 O -2.0058274 0.0000000 0.1243348 0.0000000 -1.5584703 0.0000000 0.0714473 0.0000000 -1.6421048 10 O -2.0058274 0.0000000 -0.1243348 0.0000000 -1.5584703 0.0000000 -0.0714473 0.0000000 -1.6421048 11 O -2.0058274 0.0000000 0.1243348 0.0000000 -1.5584703 0.0000000 0.0714473 0.0000000 -1.6421048 12 O -2.0058274 0.0000000 -0.1243348 0.0000000 -1.5584703 0.0000000 -0.0714473 0.0000000 -1.6421048 13 O -1.4141171 0.0000000 -0.0044904 0.0000000 -1.4997316 0.0000000 -0.0080447 0.0000000 -2.3871655 14 O -1.4141171 0.0000000 0.0044904 0.0000000 -1.4997316 0.0000000 0.0080447 0.0000000 -2.3871655 15 O -1.4141171 0.0000000 -0.0044904 0.0000000 -1.4997316 0.0000000 -0.0080447 0.0000000 -2.3871655 16 O -1.4141171 0.0000000 0.0044904 0.0000000 -1.4997316 0.0000000 0.0080447 0.0000000 -2.3871655 17 Mg 1.7453973 0.2741618 0.0891938 0.2425601 1.9962551 0.1499187 -0.0023044 -0.0073427 2.2249736 18 Mg 1.7453973 0.2741618 -0.0891938 0.2425601 1.9962551 -0.1499187 0.0023044 0.0073427 2.2249736 19 Mg 1.7453973 -0.2741618 0.0891938 -0.2425601 1.9962551 -0.1499187 -0.0023044 0.0073427 2.2249736 20 Mg 1.7453973 -0.2741618 -0.0891938 -0.2425601 1.9962551 0.1499187 0.0023044 -0.0073427 2.2249736 21 Mg 2.3230020 0.0000000 -0.0835318 0.0000000 2.0855160 0.0000000 0.0183757 0.0000000 1.9696037 22 Mg 2.3230020 0.0000000 0.0835318 0.0000000 2.0855160 0.0000000 -0.0183757 0.0000000 1.9696037 23 Mg 2.3230020 0.0000000 -0.0835318 0.0000000 2.0855160 0.0000000 0.0183757 0.0000000 1.9696037 24 Mg 2.3230020 0.0000000 0.0835318 0.0000000 2.0855160 0.0000000 -0.0183757 0.0000000 1.9696037 25 Si 2.5879854 0.0000000 0.0249246 0.0000000 2.8892268 0.0000000 0.0051524 0.0000000 3.0509746 26 Si 2.5879854 0.0000000 -0.0249246 0.0000000 2.8892268 0.0000000 -0.0051524 0.0000000 3.0509746 27 Si 2.5879854 0.0000000 0.0249246 0.0000000 2.8892268 0.0000000 0.0051524 0.0000000 3.0509746 28 Si 2.5879854 0.0000000 -0.0249246 0.0000000 2.8892268 0.0000000 -0.0051524 0.0000000 3.0509746 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 480 - Time: 3.269 Solver_block: 200 / 480 - Time: 3.191 Solver_block: 300 / 480 - Time: 3.177 Solver_block: 400 / 480 - Time: 3.264 Solver_block: 480 / 480 - Time: 2.734 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.901 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:18:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:18:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.208117800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.990221490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.767996459999999 Atomic positions (fractional): 1 O 0.16337290688880 0.46797844224960 0.27625717684120 15.999 2 O 0.33662709311119 0.53202155775040 0.77625717684120 15.999 3 O 0.83662709311119 0.96797844224960 0.72374282315880 15.999 4 O 0.66337290688881 0.03202155775040 0.22374282315880 15.999 5 O 0.83662709311119 0.53202155775040 0.72374282315880 15.999 6 O 0.66337290688881 0.46797844224960 0.22374282315880 15.999 7 O 0.16337290688880 0.03202155775040 0.27625717684120 15.999 8 O 0.33662709311119 0.96797844224960 0.77625717684120 15.999 9 O 0.55402802760125 0.75000000000000 0.77807030961306 15.999 10 O 0.94597197239875 0.25000000000000 0.27807030961306 15.999 11 O 0.44597197239875 0.25000000000000 0.22192969038694 15.999 12 O 0.05402802760125 0.75000000000000 0.72192969038694 15.999 13 O 0.40827186806593 0.75000000000000 0.26805000145746 15.999 14 O 0.09172813193407 0.25000000000000 0.76805000145746 15.999 15 O 0.59172813193407 0.25000000000000 0.73194999854254 15.999 16 O 0.90827186806593 0.75000000000000 0.23194999854254 15.999 17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 19 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 21 Mg 0.72328598809538 0.75000000000000 0.00852008942606 24.305 22 Mg 0.77671401190462 0.25000000000000 0.50852008942606 24.305 23 Mg 0.27671401190462 0.25000000000000 0.99147991057394 24.305 24 Mg 0.22328598809538 0.75000000000000 0.49147991057394 24.305 25 Si 0.40621689143689 0.75000000000000 0.92686475733409 28.085 26 Si 0.09378310856311 0.25000000000000 0.42686475733409 28.085 27 Si 0.59378310856311 0.25000000000000 0.07313524266591 28.085 28 Si 0.90621689143689 0.75000000000000 0.57313524266591 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.208117800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.980442979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.535992919999998 Atomic positions (fractional): 1 O 0.16337290688880 0.23398922112480 0.13812858842060 15.999 > 1 2 O 0.16337290688880 0.73398922112480 0.13812858842060 15.999 > 1 3 O 0.16337290688880 0.23398922112480 0.63812858842060 15.999 > 1 4 O 0.16337290688880 0.73398922112480 0.63812858842060 15.999 > 1 5 O 0.33662709311119 0.26601077887520 0.38812858842060 15.999 > 5 6 O 0.33662709311119 0.76601077887520 0.38812858842060 15.999 > 5 7 O 0.33662709311119 0.26601077887520 0.88812858842060 15.999 > 5 8 O 0.33662709311119 0.76601077887520 0.88812858842060 15.999 > 5 9 O 0.83662709311119 0.48398922112480 0.36187141157940 15.999 > 9 10 O 0.83662709311119 0.98398922112480 0.36187141157940 15.999 > 9 11 O 0.83662709311119 0.48398922112480 0.86187141157940 15.999 > 9 12 O 0.83662709311119 0.98398922112480 0.86187141157940 15.999 > 9 13 O 0.66337290688881 0.01601077887520 0.11187141157940 15.999 > 13 14 O 0.66337290688881 0.51601077887520 0.11187141157940 15.999 > 13 15 O 0.66337290688881 0.01601077887520 0.61187141157940 15.999 > 13 16 O 0.66337290688881 0.51601077887520 0.61187141157940 15.999 > 13 17 O 0.83662709311119 0.26601077887520 0.36187141157940 15.999 > 17 18 O 0.83662709311119 0.76601077887520 0.36187141157940 15.999 > 17 19 O 0.83662709311119 0.26601077887520 0.86187141157940 15.999 > 17 20 O 0.83662709311119 0.76601077887520 0.86187141157940 15.999 > 17 21 O 0.66337290688881 0.23398922112480 0.11187141157940 15.999 > 21 22 O 0.66337290688881 0.73398922112480 0.11187141157940 15.999 > 21 23 O 0.66337290688881 0.23398922112480 0.61187141157940 15.999 > 21 24 O 0.66337290688881 0.73398922112480 0.61187141157940 15.999 > 21 25 O 0.16337290688880 0.01601077887520 0.13812858842060 15.999 > 25 26 O 0.16337290688880 0.51601077887520 0.13812858842060 15.999 > 25 27 O 0.16337290688880 0.01601077887520 0.63812858842060 15.999 > 25 28 O 0.16337290688880 0.51601077887520 0.63812858842060 15.999 > 25 29 O 0.33662709311119 0.48398922112480 0.38812858842060 15.999 > 29 30 O 0.33662709311119 0.98398922112480 0.38812858842060 15.999 > 29 31 O 0.33662709311119 0.48398922112480 0.88812858842060 15.999 > 29 32 O 0.33662709311119 0.98398922112480 0.88812858842060 15.999 > 29 33 O 0.55402802760125 0.37500000000000 0.38903515480653 15.999 > 33 34 O 0.55402802760125 0.87500000000000 0.38903515480653 15.999 > 33 35 O 0.55402802760125 0.37500000000000 0.88903515480653 15.999 > 33 36 O 0.55402802760125 0.87500000000000 0.88903515480653 15.999 > 33 37 O 0.94597197239875 0.12500000000000 0.13903515480653 15.999 > 37 38 O 0.94597197239875 0.62500000000000 0.13903515480653 15.999 > 37 39 O 0.94597197239875 0.12500000000000 0.63903515480653 15.999 > 37 40 O 0.94597197239875 0.62500000000000 0.63903515480653 15.999 > 37 41 O 0.44597197239875 0.12500000000000 0.11096484519347 15.999 > 41 42 O 0.44597197239875 0.62500000000000 0.11096484519347 15.999 > 41 43 O 0.44597197239875 0.12500000000000 0.61096484519347 15.999 > 41 44 O 0.44597197239875 0.62500000000000 0.61096484519347 15.999 > 41 45 O 0.05402802760125 0.37500000000000 0.36096484519347 15.999 > 45 46 O 0.05402802760125 0.87500000000000 0.36096484519347 15.999 > 45 47 O 0.05402802760125 0.37500000000000 0.86096484519347 15.999 > 45 48 O 0.05402802760125 0.87500000000000 0.86096484519347 15.999 > 45 49 O 0.40827186806593 0.37500000000000 0.13402500072873 15.999 > 49 50 O 0.40827186806593 0.87500000000000 0.13402500072873 15.999 > 49 51 O 0.40827186806593 0.37500000000000 0.63402500072873 15.999 > 49 52 O 0.40827186806593 0.87500000000000 0.63402500072873 15.999 > 49 53 O 0.09172813193407 0.12500000000000 0.38402500072873 15.999 > 53 54 O 0.09172813193407 0.62500000000000 0.38402500072873 15.999 > 53 55 O 0.09172813193407 0.12500000000000 0.88402500072873 15.999 > 53 56 O 0.09172813193407 0.62500000000000 0.88402500072873 15.999 > 53 57 O 0.59172813193407 0.12500000000000 0.36597499927127 15.999 > 57 58 O 0.59172813193407 0.62500000000000 0.36597499927127 15.999 > 57 59 O 0.59172813193407 0.12500000000000 0.86597499927127 15.999 > 57 60 O 0.59172813193407 0.62500000000000 0.86597499927127 15.999 > 57 61 O 0.90827186806593 0.37500000000000 0.11597499927127 15.999 > 61 62 O 0.90827186806593 0.87500000000000 0.11597499927127 15.999 > 61 63 O 0.90827186806593 0.37500000000000 0.61597499927127 15.999 > 61 64 O 0.90827186806593 0.87500000000000 0.61597499927127 15.999 > 61 65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 65 69 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 69 70 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 69 71 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 69 72 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 69 73 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 73 74 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 73 75 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 73 76 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 73 77 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 77 78 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 77 79 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 77 80 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 77 81 Mg 0.72328598809538 0.37500000000000 0.00426004471303 24.305 > 81 82 Mg 0.72328598809538 0.87500000000000 0.00426004471303 24.305 > 81 83 Mg 0.72328598809538 0.37500000000000 0.50426004471303 24.305 > 81 84 Mg 0.72328598809538 0.87500000000000 0.50426004471303 24.305 > 81 85 Mg 0.77671401190462 0.12500000000000 0.25426004471303 24.305 > 85 86 Mg 0.77671401190462 0.62500000000000 0.25426004471303 24.305 > 85 87 Mg 0.77671401190462 0.12500000000000 0.75426004471303 24.305 > 85 88 Mg 0.77671401190462 0.62500000000000 0.75426004471303 24.305 > 85 89 Mg 0.27671401190462 0.12500000000000 0.49573995528697 24.305 > 89 90 Mg 0.27671401190462 0.62500000000000 0.49573995528697 24.305 > 89 91 Mg 0.27671401190462 0.12500000000000 0.99573995528697 24.305 > 89 92 Mg 0.27671401190462 0.62500000000000 0.99573995528697 24.305 > 89 93 Mg 0.22328598809538 0.37500000000000 0.24573995528697 24.305 > 93 94 Mg 0.22328598809538 0.87500000000000 0.24573995528697 24.305 > 93 95 Mg 0.22328598809538 0.37500000000000 0.74573995528697 24.305 > 93 96 Mg 0.22328598809538 0.87500000000000 0.74573995528697 24.305 > 93 97 Si 0.40621689143689 0.37500000000000 0.46343237866705 28.085 > 97 98 Si 0.40621689143689 0.87500000000000 0.46343237866705 28.085 > 97 99 Si 0.40621689143689 0.37500000000000 0.96343237866705 28.085 > 97 100 Si 0.40621689143689 0.87500000000000 0.96343237866705 28.085 > 97 101 Si 0.09378310856311 0.12500000000000 0.21343237866705 28.085 > 101 102 Si 0.09378310856311 0.62500000000000 0.21343237866705 28.085 > 101 103 Si 0.09378310856311 0.12500000000000 0.71343237866705 28.085 > 101 104 Si 0.09378310856311 0.62500000000000 0.71343237866705 28.085 > 101 105 Si 0.59378310856311 0.12500000000000 0.03656762133295 28.085 > 105 106 Si 0.59378310856311 0.62500000000000 0.03656762133295 28.085 > 105 107 Si 0.59378310856311 0.12500000000000 0.53656762133295 28.085 > 105 108 Si 0.59378310856311 0.62500000000000 0.53656762133295 28.085 > 105 109 Si 0.90621689143689 0.37500000000000 0.28656762133295 28.085 > 109 110 Si 0.90621689143689 0.87500000000000 0.28656762133295 28.085 > 109 111 Si 0.90621689143689 0.37500000000000 0.78656762133295 28.085 > 109 112 Si 0.90621689143689 0.87500000000000 0.78656762133295 28.085 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8464183 0.0000000 0.0000000 0.0000000 2.9075253 0.0000000 0.0000000 0.0000000 2.9680192 -------------------------- Born effective charges -------------------------- 1 O -1.6182201 -0.2175546 0.1082058 -0.2398774 -1.9563980 0.1007881 0.0855874 0.0333560 -1.6081408 2 O -1.6182201 -0.2175546 -0.1082058 -0.2398774 -1.9563980 -0.1007881 -0.0855874 -0.0333560 -1.6081408 3 O -1.6182201 0.2175546 0.1082058 0.2398774 -1.9563980 -0.1007881 0.0855874 -0.0333560 -1.6081408 4 O -1.6182201 0.2175546 -0.1082058 0.2398774 -1.9563980 0.1007881 -0.0855874 0.0333560 -1.6081408 5 O -1.6182201 -0.2175546 0.1082058 -0.2398774 -1.9563980 0.1007881 0.0855874 0.0333560 -1.6081408 6 O -1.6182201 -0.2175546 -0.1082058 -0.2398774 -1.9563980 -0.1007881 -0.0855874 -0.0333560 -1.6081408 7 O -1.6182201 0.2175546 0.1082058 0.2398774 -1.9563980 -0.1007881 0.0855874 -0.0333560 -1.6081408 8 O -1.6182201 0.2175546 -0.1082058 0.2398774 -1.9563980 0.1007881 -0.0855874 0.0333560 -1.6081408 9 O -2.0058274 0.0000000 0.1243348 0.0000000 -1.5584703 0.0000000 0.0714473 0.0000000 -1.6421048 10 O -2.0058274 0.0000000 -0.1243348 0.0000000 -1.5584703 0.0000000 -0.0714473 0.0000000 -1.6421048 11 O -2.0058274 0.0000000 0.1243348 0.0000000 -1.5584703 0.0000000 0.0714473 0.0000000 -1.6421048 12 O -2.0058274 0.0000000 -0.1243348 0.0000000 -1.5584703 0.0000000 -0.0714473 0.0000000 -1.6421048 13 O -1.4141171 0.0000000 -0.0044904 0.0000000 -1.4997316 0.0000000 -0.0080447 0.0000000 -2.3871655 14 O -1.4141171 0.0000000 0.0044904 0.0000000 -1.4997316 0.0000000 0.0080447 0.0000000 -2.3871655 15 O -1.4141171 0.0000000 -0.0044904 0.0000000 -1.4997316 0.0000000 -0.0080447 0.0000000 -2.3871655 16 O -1.4141171 0.0000000 0.0044904 0.0000000 -1.4997316 0.0000000 0.0080447 0.0000000 -2.3871655 17 Mg 1.7453973 0.2741618 0.0891938 0.2425601 1.9962551 0.1499187 -0.0023044 -0.0073427 2.2249736 18 Mg 1.7453973 0.2741618 -0.0891938 0.2425601 1.9962551 -0.1499187 0.0023044 0.0073427 2.2249736 19 Mg 1.7453973 -0.2741618 0.0891938 -0.2425601 1.9962551 -0.1499187 -0.0023044 0.0073427 2.2249736 20 Mg 1.7453973 -0.2741618 -0.0891938 -0.2425601 1.9962551 0.1499187 0.0023044 -0.0073427 2.2249736 21 Mg 2.3230020 0.0000000 -0.0835318 0.0000000 2.0855160 0.0000000 0.0183757 0.0000000 1.9696037 22 Mg 2.3230020 0.0000000 0.0835318 0.0000000 2.0855160 0.0000000 -0.0183757 0.0000000 1.9696037 23 Mg 2.3230020 0.0000000 -0.0835318 0.0000000 2.0855160 0.0000000 0.0183757 0.0000000 1.9696037 24 Mg 2.3230020 0.0000000 0.0835318 0.0000000 2.0855160 0.0000000 -0.0183757 0.0000000 1.9696037 25 Si 2.5879854 0.0000000 0.0249246 0.0000000 2.8892268 0.0000000 0.0051524 0.0000000 3.0509746 26 Si 2.5879854 0.0000000 -0.0249246 0.0000000 2.8892268 0.0000000 -0.0051524 0.0000000 3.0509746 27 Si 2.5879854 0.0000000 0.0249246 0.0000000 2.8892268 0.0000000 0.0051524 0.0000000 3.0509746 28 Si 2.5879854 0.0000000 -0.0249246 0.0000000 2.8892268 0.0000000 -0.0051524 0.0000000 3.0509746 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (xxx) 0.00000007 (xxx) 0.00000007 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:18:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:18:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.208117800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.990221490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.767996459999999 Atomic positions (fractional): 1 O 0.16337290688880 0.46797844224960 0.27625717684120 15.999 2 O 0.33662709311119 0.53202155775040 0.77625717684120 15.999 3 O 0.83662709311119 0.96797844224960 0.72374282315880 15.999 4 O 0.66337290688881 0.03202155775040 0.22374282315880 15.999 5 O 0.83662709311119 0.53202155775040 0.72374282315880 15.999 6 O 0.66337290688881 0.46797844224960 0.22374282315880 15.999 7 O 0.16337290688880 0.03202155775040 0.27625717684120 15.999 8 O 0.33662709311119 0.96797844224960 0.77625717684120 15.999 9 O 0.55402802760125 0.75000000000000 0.77807030961306 15.999 10 O 0.94597197239875 0.25000000000000 0.27807030961306 15.999 11 O 0.44597197239875 0.25000000000000 0.22192969038694 15.999 12 O 0.05402802760125 0.75000000000000 0.72192969038694 15.999 13 O 0.40827186806593 0.75000000000000 0.26805000145746 15.999 14 O 0.09172813193407 0.25000000000000 0.76805000145746 15.999 15 O 0.59172813193407 0.25000000000000 0.73194999854254 15.999 16 O 0.90827186806593 0.75000000000000 0.23194999854254 15.999 17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 19 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 21 Mg 0.72328598809538 0.75000000000000 0.00852008942606 24.305 22 Mg 0.77671401190462 0.25000000000000 0.50852008942606 24.305 23 Mg 0.27671401190462 0.25000000000000 0.99147991057394 24.305 24 Mg 0.22328598809538 0.75000000000000 0.49147991057394 24.305 25 Si 0.40621689143689 0.75000000000000 0.92686475733409 28.085 26 Si 0.09378310856311 0.25000000000000 0.42686475733409 28.085 27 Si 0.59378310856311 0.25000000000000 0.07313524266591 28.085 28 Si 0.90621689143689 0.75000000000000 0.57313524266591 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.208117800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.980442979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.535992919999998 Atomic positions (fractional): 1 O 0.16337290688880 0.23398922112480 0.13812858842060 15.999 > 1 2 O 0.16337290688880 0.73398922112480 0.13812858842060 15.999 > 1 3 O 0.16337290688880 0.23398922112480 0.63812858842060 15.999 > 1 4 O 0.16337290688880 0.73398922112480 0.63812858842060 15.999 > 1 5 O 0.33662709311119 0.26601077887520 0.38812858842060 15.999 > 5 6 O 0.33662709311119 0.76601077887520 0.38812858842060 15.999 > 5 7 O 0.33662709311119 0.26601077887520 0.88812858842060 15.999 > 5 8 O 0.33662709311119 0.76601077887520 0.88812858842060 15.999 > 5 9 O 0.83662709311119 0.48398922112480 0.36187141157940 15.999 > 9 10 O 0.83662709311119 0.98398922112480 0.36187141157940 15.999 > 9 11 O 0.83662709311119 0.48398922112480 0.86187141157940 15.999 > 9 12 O 0.83662709311119 0.98398922112480 0.86187141157940 15.999 > 9 13 O 0.66337290688881 0.01601077887520 0.11187141157940 15.999 > 13 14 O 0.66337290688881 0.51601077887520 0.11187141157940 15.999 > 13 15 O 0.66337290688881 0.01601077887520 0.61187141157940 15.999 > 13 16 O 0.66337290688881 0.51601077887520 0.61187141157940 15.999 > 13 17 O 0.83662709311119 0.26601077887520 0.36187141157940 15.999 > 17 18 O 0.83662709311119 0.76601077887520 0.36187141157940 15.999 > 17 19 O 0.83662709311119 0.26601077887520 0.86187141157940 15.999 > 17 20 O 0.83662709311119 0.76601077887520 0.86187141157940 15.999 > 17 21 O 0.66337290688881 0.23398922112480 0.11187141157940 15.999 > 21 22 O 0.66337290688881 0.73398922112480 0.11187141157940 15.999 > 21 23 O 0.66337290688881 0.23398922112480 0.61187141157940 15.999 > 21 24 O 0.66337290688881 0.73398922112480 0.61187141157940 15.999 > 21 25 O 0.16337290688880 0.01601077887520 0.13812858842060 15.999 > 25 26 O 0.16337290688880 0.51601077887520 0.13812858842060 15.999 > 25 27 O 0.16337290688880 0.01601077887520 0.63812858842060 15.999 > 25 28 O 0.16337290688880 0.51601077887520 0.63812858842060 15.999 > 25 29 O 0.33662709311119 0.48398922112480 0.38812858842060 15.999 > 29 30 O 0.33662709311119 0.98398922112480 0.38812858842060 15.999 > 29 31 O 0.33662709311119 0.48398922112480 0.88812858842060 15.999 > 29 32 O 0.33662709311119 0.98398922112480 0.88812858842060 15.999 > 29 33 O 0.55402802760125 0.37500000000000 0.38903515480653 15.999 > 33 34 O 0.55402802760125 0.87500000000000 0.38903515480653 15.999 > 33 35 O 0.55402802760125 0.37500000000000 0.88903515480653 15.999 > 33 36 O 0.55402802760125 0.87500000000000 0.88903515480653 15.999 > 33 37 O 0.94597197239875 0.12500000000000 0.13903515480653 15.999 > 37 38 O 0.94597197239875 0.62500000000000 0.13903515480653 15.999 > 37 39 O 0.94597197239875 0.12500000000000 0.63903515480653 15.999 > 37 40 O 0.94597197239875 0.62500000000000 0.63903515480653 15.999 > 37 41 O 0.44597197239875 0.12500000000000 0.11096484519347 15.999 > 41 42 O 0.44597197239875 0.62500000000000 0.11096484519347 15.999 > 41 43 O 0.44597197239875 0.12500000000000 0.61096484519347 15.999 > 41 44 O 0.44597197239875 0.62500000000000 0.61096484519347 15.999 > 41 45 O 0.05402802760125 0.37500000000000 0.36096484519347 15.999 > 45 46 O 0.05402802760125 0.87500000000000 0.36096484519347 15.999 > 45 47 O 0.05402802760125 0.37500000000000 0.86096484519347 15.999 > 45 48 O 0.05402802760125 0.87500000000000 0.86096484519347 15.999 > 45 49 O 0.40827186806593 0.37500000000000 0.13402500072873 15.999 > 49 50 O 0.40827186806593 0.87500000000000 0.13402500072873 15.999 > 49 51 O 0.40827186806593 0.37500000000000 0.63402500072873 15.999 > 49 52 O 0.40827186806593 0.87500000000000 0.63402500072873 15.999 > 49 53 O 0.09172813193407 0.12500000000000 0.38402500072873 15.999 > 53 54 O 0.09172813193407 0.62500000000000 0.38402500072873 15.999 > 53 55 O 0.09172813193407 0.12500000000000 0.88402500072873 15.999 > 53 56 O 0.09172813193407 0.62500000000000 0.88402500072873 15.999 > 53 57 O 0.59172813193407 0.12500000000000 0.36597499927127 15.999 > 57 58 O 0.59172813193407 0.62500000000000 0.36597499927127 15.999 > 57 59 O 0.59172813193407 0.12500000000000 0.86597499927127 15.999 > 57 60 O 0.59172813193407 0.62500000000000 0.86597499927127 15.999 > 57 61 O 0.90827186806593 0.37500000000000 0.11597499927127 15.999 > 61 62 O 0.90827186806593 0.87500000000000 0.11597499927127 15.999 > 61 63 O 0.90827186806593 0.37500000000000 0.61597499927127 15.999 > 61 64 O 0.90827186806593 0.87500000000000 0.61597499927127 15.999 > 61 65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 65 69 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 69 70 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 69 71 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 69 72 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 69 73 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 73 74 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 73 75 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 73 76 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 73 77 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 77 78 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 77 79 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 77 80 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 77 81 Mg 0.72328598809538 0.37500000000000 0.00426004471303 24.305 > 81 82 Mg 0.72328598809538 0.87500000000000 0.00426004471303 24.305 > 81 83 Mg 0.72328598809538 0.37500000000000 0.50426004471303 24.305 > 81 84 Mg 0.72328598809538 0.87500000000000 0.50426004471303 24.305 > 81 85 Mg 0.77671401190462 0.12500000000000 0.25426004471303 24.305 > 85 86 Mg 0.77671401190462 0.62500000000000 0.25426004471303 24.305 > 85 87 Mg 0.77671401190462 0.12500000000000 0.75426004471303 24.305 > 85 88 Mg 0.77671401190462 0.62500000000000 0.75426004471303 24.305 > 85 89 Mg 0.27671401190462 0.12500000000000 0.49573995528697 24.305 > 89 90 Mg 0.27671401190462 0.62500000000000 0.49573995528697 24.305 > 89 91 Mg 0.27671401190462 0.12500000000000 0.99573995528697 24.305 > 89 92 Mg 0.27671401190462 0.62500000000000 0.99573995528697 24.305 > 89 93 Mg 0.22328598809538 0.37500000000000 0.24573995528697 24.305 > 93 94 Mg 0.22328598809538 0.87500000000000 0.24573995528697 24.305 > 93 95 Mg 0.22328598809538 0.37500000000000 0.74573995528697 24.305 > 93 96 Mg 0.22328598809538 0.87500000000000 0.74573995528697 24.305 > 93 97 Si 0.40621689143689 0.37500000000000 0.46343237866705 28.085 > 97 98 Si 0.40621689143689 0.87500000000000 0.46343237866705 28.085 > 97 99 Si 0.40621689143689 0.37500000000000 0.96343237866705 28.085 > 97 100 Si 0.40621689143689 0.87500000000000 0.96343237866705 28.085 > 97 101 Si 0.09378310856311 0.12500000000000 0.21343237866705 28.085 > 101 102 Si 0.09378310856311 0.62500000000000 0.21343237866705 28.085 > 101 103 Si 0.09378310856311 0.12500000000000 0.71343237866705 28.085 > 101 104 Si 0.09378310856311 0.62500000000000 0.71343237866705 28.085 > 101 105 Si 0.59378310856311 0.12500000000000 0.03656762133295 28.085 > 105 106 Si 0.59378310856311 0.62500000000000 0.03656762133295 28.085 > 105 107 Si 0.59378310856311 0.12500000000000 0.53656762133295 28.085 > 105 108 Si 0.59378310856311 0.62500000000000 0.53656762133295 28.085 > 105 109 Si 0.90621689143689 0.37500000000000 0.28656762133295 28.085 > 109 110 Si 0.90621689143689 0.87500000000000 0.28656762133295 28.085 > 109 111 Si 0.90621689143689 0.37500000000000 0.78656762133295 28.085 > 109 112 Si 0.90621689143689 0.87500000000000 0.78656762133295 28.085 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8464183 0.0000000 0.0000000 0.0000000 2.9075253 0.0000000 0.0000000 0.0000000 2.9680192 -------------------------- Born effective charges -------------------------- 1 O -1.6182201 -0.2175546 0.1082058 -0.2398774 -1.9563980 0.1007881 0.0855874 0.0333560 -1.6081408 2 O -1.6182201 -0.2175546 -0.1082058 -0.2398774 -1.9563980 -0.1007881 -0.0855874 -0.0333560 -1.6081408 3 O -1.6182201 0.2175546 0.1082058 0.2398774 -1.9563980 -0.1007881 0.0855874 -0.0333560 -1.6081408 4 O -1.6182201 0.2175546 -0.1082058 0.2398774 -1.9563980 0.1007881 -0.0855874 0.0333560 -1.6081408 5 O -1.6182201 -0.2175546 0.1082058 -0.2398774 -1.9563980 0.1007881 0.0855874 0.0333560 -1.6081408 6 O -1.6182201 -0.2175546 -0.1082058 -0.2398774 -1.9563980 -0.1007881 -0.0855874 -0.0333560 -1.6081408 7 O -1.6182201 0.2175546 0.1082058 0.2398774 -1.9563980 -0.1007881 0.0855874 -0.0333560 -1.6081408 8 O -1.6182201 0.2175546 -0.1082058 0.2398774 -1.9563980 0.1007881 -0.0855874 0.0333560 -1.6081408 9 O -2.0058274 0.0000000 0.1243348 0.0000000 -1.5584703 0.0000000 0.0714473 0.0000000 -1.6421048 10 O -2.0058274 0.0000000 -0.1243348 0.0000000 -1.5584703 0.0000000 -0.0714473 0.0000000 -1.6421048 11 O -2.0058274 0.0000000 0.1243348 0.0000000 -1.5584703 0.0000000 0.0714473 0.0000000 -1.6421048 12 O -2.0058274 0.0000000 -0.1243348 0.0000000 -1.5584703 0.0000000 -0.0714473 0.0000000 -1.6421048 13 O -1.4141171 0.0000000 -0.0044904 0.0000000 -1.4997316 0.0000000 -0.0080447 0.0000000 -2.3871655 14 O -1.4141171 0.0000000 0.0044904 0.0000000 -1.4997316 0.0000000 0.0080447 0.0000000 -2.3871655 15 O -1.4141171 0.0000000 -0.0044904 0.0000000 -1.4997316 0.0000000 -0.0080447 0.0000000 -2.3871655 16 O -1.4141171 0.0000000 0.0044904 0.0000000 -1.4997316 0.0000000 0.0080447 0.0000000 -2.3871655 17 Mg 1.7453973 0.2741618 0.0891938 0.2425601 1.9962551 0.1499187 -0.0023044 -0.0073427 2.2249736 18 Mg 1.7453973 0.2741618 -0.0891938 0.2425601 1.9962551 -0.1499187 0.0023044 0.0073427 2.2249736 19 Mg 1.7453973 -0.2741618 0.0891938 -0.2425601 1.9962551 -0.1499187 -0.0023044 0.0073427 2.2249736 20 Mg 1.7453973 -0.2741618 -0.0891938 -0.2425601 1.9962551 0.1499187 0.0023044 -0.0073427 2.2249736 21 Mg 2.3230020 0.0000000 -0.0835318 0.0000000 2.0855160 0.0000000 0.0183757 0.0000000 1.9696037 22 Mg 2.3230020 0.0000000 0.0835318 0.0000000 2.0855160 0.0000000 -0.0183757 0.0000000 1.9696037 23 Mg 2.3230020 0.0000000 -0.0835318 0.0000000 2.0855160 0.0000000 0.0183757 0.0000000 1.9696037 24 Mg 2.3230020 0.0000000 0.0835318 0.0000000 2.0855160 0.0000000 -0.0183757 0.0000000 1.9696037 25 Si 2.5879854 0.0000000 0.0249246 0.0000000 2.8892268 0.0000000 0.0051524 0.0000000 3.0509746 26 Si 2.5879854 0.0000000 -0.0249246 0.0000000 2.8892268 0.0000000 -0.0051524 0.0000000 3.0509746 27 Si 2.5879854 0.0000000 0.0249246 0.0000000 2.8892268 0.0000000 0.0051524 0.0000000 3.0509746 28 Si 2.5879854 0.0000000 -0.0249246 0.0000000 2.8892268 0.0000000 -0.0051524 0.0000000 3.0509746 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (xxx) 0.00000007 (xxx) 0.00000007 (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 ... [ 5 8 10 ] 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: 0.63, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 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 2.984 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.495 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.486 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 9.995 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.172 ( 0.000 0.000 0.000) 0.000 11.259 ( 0.000 0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 11.536 ( 0.000 0.000 0.000) 0.000 11.799 ( 0.000 0.000 0.000) 0.000 12.055 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.311 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 12.886 ( 0.000 0.000 0.000) 0.000 13.408 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 13.902 ( 0.000 0.000 0.000) 0.000 13.932 ( 0.000 0.000 0.000) 0.000 14.565 ( 0.000 0.000 0.000) 0.000 14.730 ( 0.000 0.000 0.000) 0.000 14.757 ( 0.000 0.000 0.000) 0.000 14.775 ( 0.000 0.000 0.000) 0.000 15.363 ( 0.000 0.000 0.000) 0.000 15.442 ( 0.000 0.000 0.000) 0.000 15.571 ( 0.000 0.000 0.000) 0.000 16.663 ( 0.000 0.000 0.000) 0.000 16.718 ( 0.000 0.000 0.000) 0.000 16.938 ( 0.000 0.000 0.000) 0.000 17.406 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 18.084 ( 0.000 0.000 0.000) 0.000 18.160 ( 0.000 0.000 0.000) 0.000 24.096 ( 0.000 0.000 0.000) 0.000 24.311 ( 0.000 0.000 0.000) 0.000 24.312 ( 0.000 0.000 0.000) 0.000 24.443 ( 0.000 0.000 0.000) 0.000 25.031 ( 0.000 0.000 0.000) 0.000 25.280 ( 0.000 0.000 0.000) 0.000 25.583 ( 0.000 0.000 0.000) 0.000 25.643 ( 0.000 0.000 0.000) 0.000 25.854 ( 0.000 0.000 0.000) 0.000 26.636 ( 0.000 0.000 0.000) 0.000 26.916 ( 0.000 0.000 0.000) 0.000 28.058 ( 0.000 0.000 0.000) 0.000 28.314 ( 0.000 0.000 0.000) 0.000 28.599 ( 0.000 0.000 0.000) 0.000 28.611 ( 0.000 0.000 0.000) 0.000 28.878 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 44.012 0.000 0.000) 44.012 0.981 ( 49.787 0.000 0.000) 49.787 1.511 ( 76.018 0.000 0.000) 76.018 2.833 ( -15.471 0.000 0.000) 15.471 3.733 ( -39.159 0.000 0.000) 39.159 5.037 ( -2.602 0.000 0.000) 2.602 5.365 ( -46.661 0.000 0.000) 46.661 5.449 ( -9.833 0.000 0.000) 9.833 5.525 ( 11.895 0.000 0.000) 11.895 5.829 ( 2.957 0.000 0.000) 2.957 5.906 ( 35.960 0.000 0.000) 35.960 6.588 ( 3.002 0.000 0.000) 3.002 6.597 ( 6.122 0.000 0.000) 6.122 7.143 ( 4.138 0.000 0.000) 4.138 7.283 ( 10.589 0.000 0.000) 10.589 7.550 ( 5.582 0.000 0.000) 5.582 7.896 ( -15.409 0.000 0.000) 15.409 8.008 ( -9.004 0.000 0.000) 9.004 8.110 ( -4.963 0.000 0.000) 4.963 8.152 ( -12.248 0.000 0.000) 12.248 8.523 ( 0.840 0.000 0.000) 0.840 8.568 ( 1.204 0.000 0.000) 1.204 8.593 ( 3.462 0.000 0.000) 3.462 9.009 ( -2.834 0.000 0.000) 2.834 9.014 ( 6.424 0.000 0.000) 6.424 9.139 ( 1.266 0.000 0.000) 1.266 9.165 ( -6.055 0.000 0.000) 6.055 9.365 ( 8.094 0.000 0.000) 8.094 9.449 ( -3.808 0.000 0.000) 3.808 9.561 ( 7.036 0.000 0.000) 7.036 9.599 ( -1.622 0.000 0.000) 1.622 9.911 ( -7.590 0.000 0.000) 7.590 10.089 ( -1.337 0.000 0.000) 1.337 10.286 ( -6.633 0.000 0.000) 6.633 10.768 ( 6.377 0.000 0.000) 6.377 10.922 ( 4.552 0.000 0.000) 4.552 11.028 ( -1.390 0.000 0.000) 1.390 11.098 ( -3.516 0.000 0.000) 3.516 11.209 ( 3.820 0.000 0.000) 3.820 11.637 ( 17.549 0.000 0.000) 17.549 11.798 ( -13.704 0.000 0.000) 13.704 11.869 ( 9.277 0.000 0.000) 9.277 12.085 ( -5.887 0.000 0.000) 5.887 12.266 ( 7.881 0.000 0.000) 7.881 12.401 ( 7.279 0.000 0.000) 7.279 12.512 ( 2.260 0.000 0.000) 2.260 12.553 ( -2.094 0.000 0.000) 2.094 12.740 ( -5.432 0.000 0.000) 5.432 12.841 ( -6.482 0.000 0.000) 6.482 12.845 ( -4.085 0.000 0.000) 4.085 13.848 ( 0.958 0.000 0.000) 0.958 13.924 ( -0.782 0.000 0.000) 0.782 13.956 ( 4.862 0.000 0.000) 4.862 14.251 ( -3.503 0.000 0.000) 3.503 14.582 ( 1.659 0.000 0.000) 1.659 14.751 ( -2.340 0.000 0.000) 2.340 14.764 ( 0.718 0.000 0.000) 0.718 14.991 ( -6.573 0.000 0.000) 6.573 15.456 ( 1.478 0.000 0.000) 1.478 15.584 ( 0.317 0.000 0.000) 0.317 16.568 ( 1.457 0.000 0.000) 1.457 16.655 ( -0.720 0.000 0.000) 0.720 16.742 ( 2.298 0.000 0.000) 2.298 16.919 ( -1.869 0.000 0.000) 1.869 17.444 ( 3.486 0.000 0.000) 3.486 17.519 ( 1.907 0.000 0.000) 1.907 18.066 ( -1.616 0.000 0.000) 1.616 18.131 ( -2.717 0.000 0.000) 2.717 24.128 ( 3.048 0.000 0.000) 3.048 24.309 ( -0.411 0.000 0.000) 0.411 24.405 ( -0.632 0.000 0.000) 0.632 24.423 ( -1.790 0.000 0.000) 1.790 25.055 ( 2.407 0.000 0.000) 2.407 25.257 ( -2.324 0.000 0.000) 2.324 25.659 ( 1.649 0.000 0.000) 1.649 25.828 ( -2.438 0.000 0.000) 2.438 26.668 ( 3.064 0.000 0.000) 3.064 26.893 ( -2.322 0.000 0.000) 2.322 28.069 ( 1.164 0.000 0.000) 1.164 28.168 ( -1.122 0.000 0.000) 1.122 28.324 ( 1.075 0.000 0.000) 1.075 28.497 ( -4.922 0.000 0.000) 4.922 28.728 ( 6.427 0.000 0.000) 6.427 29.029 ( -2.548 0.000 0.000) 2.548 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 39.098 0.000 0.000) 39.098 1.945 ( 48.467 0.000 0.000) 48.467 2.385 ( -29.679 0.000 0.000) 29.679 2.834 ( -16.291 0.000 0.000) 16.291 3.008 ( 41.431 0.000 0.000) 41.431 4.283 ( -62.191 0.000 0.000) 62.191 5.072 ( 5.973 0.000 0.000) 5.973 5.242 ( -10.442 0.000 0.000) 10.442 5.735 ( 8.565 0.000 0.000) 8.565 5.841 ( -2.202 0.000 0.000) 2.202 6.614 ( 16.568 0.000 0.000) 16.568 6.656 ( 0.642 0.000 0.000) 0.642 6.684 ( 24.048 0.000 0.000) 24.048 7.293 ( 11.146 0.000 0.000) 11.146 7.351 ( -29.052 0.000 0.000) 29.052 7.546 ( 15.578 0.000 0.000) 15.578 7.569 ( -16.447 0.000 0.000) 16.447 7.865 ( -16.203 0.000 0.000) 16.203 7.893 ( 3.642 0.000 0.000) 3.642 8.000 ( -5.851 0.000 0.000) 5.851 8.597 ( 1.552 0.000 0.000) 1.552 8.619 ( -0.339 0.000 0.000) 0.339 8.710 ( 13.835 0.000 0.000) 13.835 8.929 ( -6.732 0.000 0.000) 6.732 9.089 ( -1.754 0.000 0.000) 1.754 9.109 ( -3.415 0.000 0.000) 3.415 9.174 ( 8.988 0.000 0.000) 8.988 9.339 ( -7.345 0.000 0.000) 7.345 9.547 ( 9.801 0.000 0.000) 9.801 9.584 ( 0.955 0.000 0.000) 0.955 9.616 ( -0.841 0.000 0.000) 0.841 9.737 ( -9.537 0.000 0.000) 9.537 10.093 ( 1.829 0.000 0.000) 1.829 10.160 ( -5.155 0.000 0.000) 5.155 10.895 ( 5.832 0.000 0.000) 5.832 10.984 ( -3.258 0.000 0.000) 3.258 11.019 ( 4.509 0.000 0.000) 4.509 11.073 ( -0.982 0.000 0.000) 0.982 11.329 ( 8.590 0.000 0.000) 8.590 11.538 ( -12.379 0.000 0.000) 12.379 11.833 ( 5.991 0.000 0.000) 5.991 11.955 ( -6.754 0.000 0.000) 6.754 12.226 ( 22.108 0.000 0.000) 22.108 12.392 ( 5.694 0.000 0.000) 5.694 12.491 ( -4.215 0.000 0.000) 4.215 12.541 ( -1.829 0.000 0.000) 1.829 12.572 ( 8.980 0.000 0.000) 8.980 12.636 ( -4.271 0.000 0.000) 4.271 12.642 ( -11.463 0.000 0.000) 11.463 12.732 ( -7.192 0.000 0.000) 7.192 13.873 ( 1.497 0.000 0.000) 1.497 13.902 ( -1.387 0.000 0.000) 1.387 14.062 ( 5.467 0.000 0.000) 5.467 14.164 ( -4.956 0.000 0.000) 4.956 14.628 ( 2.978 0.000 0.000) 2.978 14.692 ( -3.395 0.000 0.000) 3.395 14.792 ( 2.416 0.000 0.000) 2.416 14.867 ( -5.314 0.000 0.000) 5.314 15.501 ( 2.961 0.000 0.000) 2.961 15.560 ( -2.606 0.000 0.000) 2.606 16.604 ( 1.915 0.000 0.000) 1.915 16.636 ( -1.286 0.000 0.000) 1.286 16.801 ( 3.463 0.000 0.000) 3.463 16.868 ( -3.202 0.000 0.000) 3.202 17.518 ( 3.353 0.000 0.000) 3.353 17.549 ( 0.406 0.000 0.000) 0.406 18.041 ( -0.238 0.000 0.000) 0.238 18.070 ( -2.907 0.000 0.000) 2.907 24.205 ( 4.406 0.000 0.000) 4.406 24.281 ( -2.816 0.000 0.000) 2.816 24.392 ( -0.732 0.000 0.000) 0.732 24.392 ( -0.719 0.000 0.000) 0.719 25.118 ( 3.808 0.000 0.000) 3.808 25.195 ( -3.764 0.000 0.000) 3.764 25.705 ( 2.928 0.000 0.000) 2.928 25.769 ( -3.382 0.000 0.000) 3.382 26.744 ( 4.418 0.000 0.000) 4.418 26.829 ( -3.994 0.000 0.000) 3.994 28.100 ( 1.862 0.000 0.000) 1.862 28.138 ( -1.836 0.000 0.000) 1.836 28.357 ( 2.263 0.000 0.000) 2.263 28.414 ( -3.589 0.000 0.000) 3.589 28.852 ( 6.009 0.000 0.000) 6.009 28.958 ( -4.662 0.000 0.000) 4.662 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 46.533 0.000) 46.533 0.998 ( 0.000 48.436 0.000) 48.436 1.748 ( 0.000 82.519 0.000) 82.519 3.310 ( 0.000 29.115 0.000) 29.115 4.283 ( 0.000 7.632 0.000) 7.632 5.012 ( 0.000 -7.434 0.000) 7.434 5.262 ( 0.000 -7.968 0.000) 7.968 5.484 ( 0.000 3.438 0.000) 3.438 5.796 ( 0.000 -2.765 0.000) 2.765 5.808 ( 0.000 21.365 0.000) 21.365 6.191 ( 0.000 21.147 0.000) 21.147 6.486 ( 0.000 0.016 0.000) 0.016 6.507 ( 0.000 0.046 0.000) 0.046 7.119 ( 0.000 -21.621 0.000) 21.621 7.175 ( 0.000 4.981 0.000) 4.981 7.379 ( 0.000 16.063 0.000) 16.063 8.027 ( 0.000 -10.834 0.000) 10.834 8.051 ( 0.000 -12.755 0.000) 12.755 8.065 ( 0.000 1.476 0.000) 1.476 8.237 ( 0.000 -6.054 0.000) 6.054 8.502 ( 0.000 -7.683 0.000) 7.683 8.548 ( 0.000 -6.591 0.000) 6.591 8.594 ( 0.000 7.688 0.000) 7.688 8.710 ( 0.000 10.219 0.000) 10.219 8.948 ( 0.000 -10.465 0.000) 10.465 9.146 ( 0.000 -11.566 0.000) 11.566 9.200 ( 0.000 -6.336 0.000) 6.336 9.316 ( 0.000 -7.066 0.000) 7.066 9.567 ( 0.000 4.180 0.000) 4.180 9.617 ( 0.000 21.424 0.000) 21.424 9.790 ( 0.000 13.892 0.000) 13.892 10.016 ( 0.000 0.309 0.000) 0.309 10.134 ( 0.000 3.081 0.000) 3.081 10.359 ( 0.000 -0.280 0.000) 0.280 10.397 ( 0.000 3.959 0.000) 3.959 10.709 ( 0.000 1.048 0.000) 1.048 10.980 ( 0.000 -5.634 0.000) 5.634 11.164 ( 0.000 1.202 0.000) 1.202 11.309 ( 0.000 2.590 0.000) 2.590 11.334 ( 0.000 3.502 0.000) 3.502 11.498 ( 0.000 -3.593 0.000) 3.593 11.760 ( 0.000 -3.595 0.000) 3.595 11.969 ( 0.000 -7.278 0.000) 7.278 12.014 ( 0.000 -11.178 0.000) 11.178 12.379 ( 0.000 5.586 0.000) 5.586 12.603 ( 0.000 2.433 0.000) 2.433 12.606 ( 0.000 8.426 0.000) 8.426 12.844 ( 0.000 -3.575 0.000) 3.575 12.895 ( 0.000 8.319 0.000) 8.319 13.194 ( 0.000 0.286 0.000) 0.286 13.408 ( 0.000 -0.184 0.000) 0.184 13.830 ( 0.000 -7.049 0.000) 7.049 13.861 ( 0.000 -6.860 0.000) 6.860 14.087 ( 0.000 -5.692 0.000) 5.692 14.654 ( 0.000 -8.832 0.000) 8.832 14.674 ( 0.000 -8.398 0.000) 8.398 14.681 ( 0.000 -4.966 0.000) 4.966 15.371 ( 0.000 1.148 0.000) 1.148 15.388 ( 0.000 -3.595 0.000) 3.595 15.613 ( 0.000 3.499 0.000) 3.499 16.744 ( 0.000 6.495 0.000) 6.495 16.791 ( 0.000 5.659 0.000) 5.659 16.834 ( 0.000 0.918 0.000) 0.918 16.952 ( 0.000 1.160 0.000) 1.160 17.428 ( 0.000 2.209 0.000) 2.209 17.514 ( 0.000 1.575 0.000) 1.575 18.054 ( 0.000 -2.770 0.000) 2.770 18.121 ( 0.000 -3.537 0.000) 3.537 24.109 ( 0.000 1.161 0.000) 1.161 24.305 ( 0.000 -0.575 0.000) 0.575 24.325 ( 0.000 1.308 0.000) 1.308 24.441 ( 0.000 -0.092 0.000) 0.092 25.020 ( 0.000 -0.953 0.000) 0.953 25.226 ( 0.000 -4.413 0.000) 4.413 25.482 ( 0.000 -8.512 0.000) 8.512 25.741 ( 0.000 -9.982 0.000) 9.982 26.807 ( 0.000 14.991 0.000) 14.991 27.063 ( 0.000 12.752 0.000) 12.752 28.093 ( 0.000 2.825 0.000) 2.825 28.304 ( 0.000 -0.958 0.000) 0.958 28.583 ( 0.000 -1.584 0.000) 1.584 28.593 ( 0.000 -1.643 0.000) 1.643 28.860 ( 0.000 -1.632 0.000) 1.632 28.950 ( 0.000 -2.250 0.000) 2.250 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 30.816 33.022 0.000) 45.167 1.396 ( 34.671 34.369 0.000) 48.819 2.277 ( 46.843 61.297 0.000) 77.147 3.137 ( -17.362 26.425 0.000) 31.618 3.841 ( -36.809 10.377 0.000) 38.243 4.848 ( -13.412 -6.599 0.000) 14.948 5.433 ( 9.676 -7.795 0.000) 12.426 5.614 ( -6.792 9.296 0.000) 11.513 5.834 ( -24.746 31.616 0.000) 40.149 5.885 ( 5.093 2.233 0.000) 5.561 5.922 ( 27.298 6.229 0.000) 27.999 6.536 ( 2.816 -0.249 0.000) 2.828 6.548 ( 2.653 -4.860 0.000) 5.537 7.164 ( 5.949 -16.309 0.000) 17.360 7.229 ( 3.261 -1.257 0.000) 3.495 7.488 ( 7.573 12.281 0.000) 14.428 7.837 ( -11.514 -17.380 0.000) 20.848 8.019 ( -13.286 2.983 0.000) 13.617 8.024 ( -8.452 2.109 0.000) 8.711 8.195 ( -5.404 -7.256 0.000) 9.047 8.421 ( 2.132 -0.017 0.000) 2.132 8.430 ( -0.006 -4.674 0.000) 4.674 8.742 ( 7.184 -11.599 0.000) 13.644 8.791 ( 6.414 11.319 0.000) 13.010 9.026 ( -8.618 -8.734 0.000) 12.270 9.079 ( 6.846 -4.954 0.000) 8.450 9.256 ( 6.301 -8.922 0.000) 10.922 9.433 ( -5.237 17.795 0.000) 18.550 9.456 ( 1.727 -4.800 0.000) 5.102 9.517 ( -1.247 0.282 0.000) 1.279 9.700 ( -5.696 11.420 0.000) 12.762 9.980 ( -3.990 3.452 0.000) 5.276 10.129 ( 0.308 4.730 0.000) 4.740 10.336 ( -5.391 5.261 0.000) 7.533 10.734 ( 15.568 -9.522 0.000) 18.249 10.771 ( 5.191 0.697 0.000) 5.238 11.005 ( 1.358 -3.122 0.000) 3.405 11.067 ( -3.671 -1.438 0.000) 3.943 11.277 ( 2.416 4.535 0.000) 5.139 11.623 ( 15.284 -1.090 0.000) 15.323 11.687 ( 7.122 -10.989 0.000) 13.095 11.813 ( 6.347 -5.018 0.000) 8.091 11.825 ( -3.125 -8.920 0.000) 9.451 12.058 ( -0.371 -10.288 0.000) 10.295 12.414 ( 3.317 2.975 0.000) 4.456 12.581 ( -2.259 1.889 0.000) 2.944 12.642 ( 2.873 7.783 0.000) 8.296 12.748 ( -5.795 0.353 0.000) 5.806 12.921 ( -0.057 7.327 0.000) 7.327 13.067 ( -7.790 8.134 0.000) 11.262 13.594 ( 11.290 -11.018 0.000) 15.775 13.834 ( -0.079 -7.822 0.000) 7.823 13.905 ( 4.249 -5.975 0.000) 7.332 14.086 ( -0.352 -7.387 0.000) 7.395 14.636 ( -1.592 -8.131 0.000) 8.286 14.649 ( -2.622 -2.763 0.000) 3.809 14.685 ( 1.213 -7.665 0.000) 7.761 15.140 ( -16.842 7.077 0.000) 18.268 15.415 ( 2.721 -2.834 0.000) 3.929 15.623 ( -0.558 2.573 0.000) 2.632 16.641 ( -7.559 4.727 0.000) 8.915 16.685 ( -3.666 4.148 0.000) 5.535 16.851 ( 3.798 6.873 0.000) 7.853 17.006 ( 0.322 3.345 0.000) 3.360 17.465 ( 3.388 2.119 0.000) 3.996 17.534 ( 1.812 1.461 0.000) 2.328 18.039 ( -1.460 -2.467 0.000) 2.866 18.094 ( -2.555 -3.362 0.000) 4.223 24.139 ( 2.999 1.120 0.000) 3.201 24.322 ( -0.388 1.323 0.000) 1.378 24.353 ( 2.409 -2.391 0.000) 3.395 24.420 ( -1.906 -0.187 0.000) 1.915 25.038 ( 1.852 -1.236 0.000) 2.226 25.205 ( -2.034 -4.160 0.000) 4.631 25.537 ( 4.090 -9.779 0.000) 10.600 25.725 ( -1.624 -9.403 0.000) 9.542 26.829 ( 2.186 14.403 0.000) 14.568 27.030 ( -2.902 12.912 0.000) 13.234 28.111 ( 1.851 3.296 0.000) 3.780 28.312 ( 0.627 -0.964 0.000) 1.150 28.485 ( -4.686 -1.139 0.000) 4.822 28.511 ( -17.198 14.053 0.000) 22.209 28.707 ( 6.231 -2.041 0.000) 6.557 28.991 ( -1.388 -3.330 0.000) 3.607 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 35.637 23.362 0.000) 42.612 2.174 ( 41.792 21.315 0.000) 46.914 2.664 ( -29.168 23.043 0.000) 37.172 3.036 ( -42.032 16.076 0.000) 45.002 3.332 ( 55.146 33.354 0.000) 64.448 4.335 ( -42.182 9.541 0.000) 43.248 5.382 ( -3.811 18.932 0.000) 19.312 5.448 ( -7.873 14.459 0.000) 16.464 5.743 ( 8.269 4.667 0.000) 9.495 5.872 ( -3.960 3.046 0.000) 4.996 6.512 ( 15.129 -7.095 0.000) 16.710 6.576 ( 0.264 -5.246 0.000) 5.253 6.662 ( 20.989 -0.186 0.000) 20.990 7.158 ( -15.930 -16.601 0.000) 23.007 7.357 ( 11.783 -2.764 0.000) 12.102 7.568 ( 3.076 4.682 0.000) 5.602 7.607 ( -12.467 -11.550 0.000) 16.995 7.733 ( -13.043 -0.999 0.000) 13.081 7.870 ( 0.608 5.823 0.000) 5.854 8.000 ( -10.160 3.870 0.000) 10.872 8.535 ( 6.241 -3.231 0.000) 7.028 8.550 ( 5.326 -4.311 0.000) 6.852 8.819 ( 1.083 -8.590 0.000) 8.658 8.861 ( -3.286 0.037 0.000) 3.286 8.984 ( 7.838 -1.653 0.000) 8.011 9.113 ( -2.503 -4.222 0.000) 4.908 9.354 ( -0.009 8.841 0.000) 8.841 9.368 ( -4.748 3.230 0.000) 5.742 9.396 ( 2.910 0.768 0.000) 3.009 9.511 ( -3.808 -5.762 0.000) 6.907 9.701 ( 6.893 4.172 0.000) 8.057 9.861 ( -7.823 5.763 0.000) 9.716 10.154 ( 2.383 5.982 0.000) 6.440 10.225 ( -4.956 6.486 0.000) 8.163 10.870 ( 4.060 -1.773 0.000) 4.430 10.898 ( 2.459 -5.857 0.000) 6.352 11.028 ( 1.591 -0.314 0.000) 1.621 11.049 ( 0.009 -2.019 0.000) 2.019 11.367 ( 6.848 2.444 0.000) 7.271 11.543 ( -10.610 -0.548 0.000) 10.624 11.804 ( 5.408 -2.615 0.000) 6.007 11.887 ( -1.797 -7.170 0.000) 7.392 12.016 ( 9.327 -13.879 0.000) 16.722 12.070 ( 2.149 -16.339 0.000) 16.480 12.478 ( 2.718 -0.735 0.000) 2.816 12.526 ( -2.677 0.075 0.000) 2.678 12.681 ( -0.519 5.124 0.000) 5.150 12.687 ( 0.888 6.567 0.000) 6.626 12.898 ( -1.293 11.119 0.000) 11.194 12.929 ( -5.381 12.838 0.000) 13.920 13.757 ( 5.365 -9.815 0.000) 11.186 13.820 ( -1.567 -7.646 0.000) 7.805 13.997 ( 4.427 -6.839 0.000) 8.147 14.063 ( -2.198 -8.400 0.000) 8.683 14.605 ( -1.157 -5.377 0.000) 5.500 14.605 ( -1.340 -1.988 0.000) 2.397 14.732 ( 4.013 -5.225 0.000) 6.588 14.866 ( -10.237 1.049 0.000) 10.291 15.488 ( 4.507 -1.041 0.000) 4.626 15.576 ( -3.937 0.936 0.000) 4.047 16.586 ( 0.414 1.635 0.000) 1.687 16.621 ( -2.746 1.904 0.000) 3.341 16.923 ( 3.455 6.745 0.000) 7.579 16.981 ( -2.367 5.684 0.000) 6.158 17.537 ( 3.139 1.781 0.000) 3.609 17.564 ( 0.498 1.414 0.000) 1.499 18.014 ( -0.425 -2.353 0.000) 2.392 18.038 ( -2.612 -2.865 0.000) 3.877 24.216 ( 4.443 1.084 0.000) 4.574 24.294 ( -2.944 1.257 0.000) 3.201 24.376 ( 0.371 -1.100 0.000) 1.161 24.385 ( -1.049 -0.435 0.000) 1.136 25.089 ( 3.126 -2.242 0.000) 3.846 25.152 ( -3.177 -3.376 0.000) 4.635 25.614 ( 3.655 -8.761 0.000) 9.493 25.679 ( -2.939 -8.550 0.000) 9.041 26.888 ( 3.600 13.292 0.000) 13.771 26.962 ( -3.808 12.722 0.000) 13.280 28.166 ( 3.793 4.935 0.000) 6.224 28.265 ( -6.375 7.273 0.000) 9.672 28.358 ( 1.064 1.391 0.000) 1.752 28.406 ( -3.329 -0.594 0.000) 3.382 28.827 ( 5.858 -2.373 0.000) 6.321 28.930 ( -4.444 -2.661 0.000) 5.180 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 47.818 0.000) 47.818 2.027 ( 0.000 50.128 0.000) 50.128 3.418 ( 0.000 76.865 0.000) 76.865 4.057 ( 0.000 38.092 0.000) 38.092 4.525 ( 0.000 15.394 0.000) 15.394 4.858 ( 0.000 -6.730 0.000) 6.730 5.111 ( 0.000 -3.754 0.000) 3.754 5.469 ( 0.000 -25.434 0.000) 25.434 5.590 ( 0.000 3.845 0.000) 3.845 6.091 ( 0.000 -36.852 0.000) 36.852 6.371 ( 0.000 29.559 0.000) 29.559 6.631 ( 0.000 14.717 0.000) 14.717 6.709 ( 0.000 16.778 0.000) 16.778 6.984 ( 0.000 9.058 0.000) 9.058 7.328 ( 0.000 11.087 0.000) 11.087 7.584 ( 0.000 -23.988 0.000) 23.988 7.730 ( 0.000 -17.421 0.000) 17.421 7.790 ( 0.000 20.561 0.000) 20.561 8.048 ( 0.000 -11.610 0.000) 11.610 8.113 ( 0.000 2.830 0.000) 2.830 8.324 ( 0.000 -7.027 0.000) 7.027 8.611 ( 0.000 -14.345 0.000) 14.345 8.696 ( 0.000 6.680 0.000) 6.680 8.748 ( 0.000 -1.531 0.000) 1.531 8.866 ( 0.000 3.525 0.000) 3.525 8.963 ( 0.000 2.291 0.000) 2.291 9.095 ( 0.000 -3.545 0.000) 3.545 9.158 ( 0.000 -6.512 0.000) 6.512 9.617 ( 0.000 0.850 0.000) 0.850 9.865 ( 0.000 4.917 0.000) 4.917 9.962 ( 0.000 -5.244 0.000) 5.244 10.058 ( 0.000 7.659 0.000) 7.659 10.345 ( 0.000 -1.244 0.000) 1.244 10.368 ( 0.000 20.041 0.000) 20.041 10.524 ( 0.000 7.293 0.000) 7.293 10.719 ( 0.000 -0.225 0.000) 0.225 10.822 ( 0.000 -9.249 0.000) 9.249 11.232 ( 0.000 3.665 0.000) 3.665 11.330 ( 0.000 0.147 0.000) 0.147 11.392 ( 0.000 -6.197 0.000) 6.197 11.418 ( 0.000 3.103 0.000) 3.103 11.662 ( 0.000 -5.130 0.000) 5.130 11.763 ( 0.000 -12.196 0.000) 12.196 11.778 ( 0.000 -10.627 0.000) 10.627 12.525 ( 0.000 8.264 0.000) 8.264 12.664 ( 0.000 3.209 0.000) 3.209 12.768 ( 0.000 6.765 0.000) 6.765 12.770 ( 0.000 -2.466 0.000) 2.466 13.098 ( 0.000 9.830 0.000) 9.830 13.235 ( 0.000 3.454 0.000) 3.454 13.390 ( 0.000 -1.782 0.000) 1.782 13.606 ( 0.000 -14.131 0.000) 14.131 13.656 ( 0.000 -11.657 0.000) 11.657 13.940 ( 0.000 -7.295 0.000) 7.295 14.420 ( 0.000 -14.815 0.000) 14.815 14.518 ( 0.000 -10.412 0.000) 10.412 14.553 ( 0.000 1.605 0.000) 1.605 15.329 ( 0.000 -2.603 0.000) 2.603 15.427 ( 0.000 4.248 0.000) 4.248 15.685 ( 0.000 2.689 0.000) 2.689 16.864 ( 0.000 1.917 0.000) 1.917 16.876 ( 0.000 5.288 0.000) 5.288 16.898 ( 0.000 3.893 0.000) 3.893 16.976 ( 0.000 0.910 0.000) 0.910 17.500 ( 0.000 4.639 0.000) 4.639 17.563 ( 0.000 3.065 0.000) 3.065 17.973 ( 0.000 -4.818 0.000) 4.818 18.022 ( 0.000 -5.698 0.000) 5.698 24.143 ( 0.000 2.008 0.000) 2.008 24.289 ( 0.000 -0.948 0.000) 0.948 24.366 ( 0.000 2.555 0.000) 2.555 24.445 ( 0.000 0.636 0.000) 0.636 24.996 ( 0.000 -1.158 0.000) 1.158 25.129 ( 0.000 -4.336 0.000) 4.336 25.283 ( 0.000 -9.492 0.000) 9.492 25.488 ( 0.000 -13.057 0.000) 13.057 27.188 ( 0.000 20.012 0.000) 20.012 27.386 ( 0.000 16.970 0.000) 16.970 28.143 ( 0.000 1.144 0.000) 1.144 28.271 ( 0.000 -2.425 0.000) 2.425 28.535 ( 0.000 -2.877 0.000) 2.877 28.549 ( 0.000 -2.445 0.000) 2.445 28.816 ( 0.000 -2.411 0.000) 2.411 28.885 ( 0.000 -3.858 0.000) 3.858 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 16.700 41.842 0.000) 45.052 2.246 ( 21.117 44.989 0.000) 49.699 3.684 ( 24.790 68.966 0.000) 73.286 3.756 ( -25.821 27.955 0.000) 38.055 4.162 ( -30.293 20.354 0.000) 36.496 4.912 ( 0.834 14.547 0.000) 14.571 5.190 ( 6.952 -14.232 0.000) 15.840 5.438 ( -3.010 -24.909 0.000) 25.090 5.847 ( 19.124 -2.018 0.000) 19.230 6.122 ( 2.840 -33.968 0.000) 34.087 6.377 ( 0.636 29.186 0.000) 29.193 6.551 ( -10.148 29.338 0.000) 31.044 6.722 ( 1.553 15.914 0.000) 15.989 6.931 ( -0.138 1.631 0.000) 1.637 7.289 ( -4.396 2.987 0.000) 5.315 7.359 ( -12.244 -23.333 0.000) 26.350 7.807 ( 0.289 15.243 0.000) 15.246 7.907 ( 6.202 -16.471 0.000) 17.600 8.025 ( -3.234 -5.128 0.000) 6.062 8.107 ( -3.047 5.145 0.000) 5.980 8.337 ( 4.520 -2.853 0.000) 5.345 8.496 ( -2.124 -0.455 0.000) 2.172 8.621 ( -3.138 -3.832 0.000) 4.953 8.797 ( -5.630 -6.019 0.000) 8.242 8.913 ( 7.877 -6.297 0.000) 10.084 9.025 ( -1.804 3.954 0.000) 4.347 9.114 ( 9.990 -1.328 0.000) 10.078 9.309 ( 7.398 -7.353 0.000) 10.431 9.540 ( -5.146 1.407 0.000) 5.335 9.686 ( -7.326 7.981 0.000) 10.834 9.950 ( -9.940 8.660 0.000) 13.184 9.977 ( -0.283 -3.514 0.000) 3.525 10.341 ( -1.063 14.680 0.000) 14.718 10.485 ( -3.057 7.634 0.000) 8.223 10.596 ( 14.318 -3.864 0.000) 14.830 10.801 ( 6.343 1.397 0.000) 6.495 10.915 ( 7.073 -5.203 0.000) 8.780 11.070 ( -9.196 2.236 0.000) 9.464 11.339 ( 1.128 0.603 0.000) 1.279 11.464 ( 6.802 -9.905 0.000) 12.015 11.587 ( 10.165 -3.561 0.000) 10.770 11.650 ( -6.974 -9.724 0.000) 11.967 11.685 ( 1.938 -5.775 0.000) 6.092 11.826 ( 0.954 -11.512 0.000) 11.551 12.525 ( 0.123 7.423 0.000) 7.424 12.627 ( -3.340 2.917 0.000) 4.434 12.761 ( -0.199 1.171 0.000) 1.188 12.788 ( 1.617 5.972 0.000) 6.187 13.093 ( -0.379 7.630 0.000) 7.640 13.186 ( -3.768 4.737 0.000) 6.053 13.450 ( 4.824 -4.624 0.000) 6.683 13.618 ( 0.391 -12.278 0.000) 12.285 13.703 ( 4.537 -12.029 0.000) 12.856 13.921 ( -1.887 -7.766 0.000) 7.992 14.431 ( 0.945 -13.849 0.000) 13.881 14.505 ( -1.176 -10.213 0.000) 10.280 14.585 ( 3.701 3.318 0.000) 4.970 15.281 ( -13.316 7.133 0.000) 15.106 15.365 ( 3.626 -2.387 0.000) 4.341 15.669 ( -2.353 1.425 0.000) 2.751 16.747 ( -6.621 5.226 0.000) 8.435 16.798 ( -4.714 5.592 0.000) 7.314 16.956 ( 2.865 2.804 0.000) 4.009 17.027 ( 1.771 -0.651 0.000) 1.887 17.533 ( 2.924 4.261 0.000) 5.168 17.580 ( 1.547 2.890 0.000) 3.278 17.967 ( -0.716 -4.339 0.000) 4.398 18.002 ( -1.891 -5.228 0.000) 5.559 24.173 ( 2.944 2.005 0.000) 3.562 24.318 ( 2.297 -1.256 0.000) 2.618 24.363 ( -0.415 2.446 0.000) 2.481 24.423 ( -2.178 0.536 0.000) 2.243 25.010 ( 1.317 -1.282 0.000) 1.838 25.115 ( -1.350 -3.977 0.000) 4.200 25.317 ( 3.124 -10.330 0.000) 10.793 25.481 ( -0.812 -12.710 0.000) 12.736 27.202 ( 1.410 19.770 0.000) 19.820 27.362 ( -2.317 17.454 0.000) 17.607 28.167 ( 2.457 1.117 0.000) 2.699 28.276 ( 0.458 -2.623 0.000) 2.663 28.457 ( -3.611 -1.248 0.000) 3.820 28.646 ( 5.547 -3.724 0.000) 6.681 28.660 ( -11.083 2.627 0.000) 11.391 28.903 ( -0.925 -4.882 0.000) 4.969 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 28.149 30.940 0.000) 41.828 2.782 ( 30.868 35.407 0.000) 46.973 3.183 ( -29.747 24.786 0.000) 38.719 3.483 ( -35.545 26.663 0.000) 44.434 4.286 ( 31.696 53.591 0.000) 62.263 4.786 ( -15.991 32.817 0.000) 36.506 5.296 ( 3.395 -18.693 0.000) 18.999 5.364 ( -3.980 -21.937 0.000) 22.295 6.100 ( 4.291 -0.243 0.000) 4.298 6.140 ( -2.021 -6.626 0.000) 6.928 6.407 ( 0.310 12.680 0.000) 12.684 6.424 ( 2.734 11.533 0.000) 11.852 6.784 ( 6.350 12.020 0.000) 13.594 6.938 ( -4.250 3.697 0.000) 5.633 7.199 ( -2.245 -9.841 0.000) 10.094 7.207 ( -2.936 -16.276 0.000) 16.538 7.776 ( -1.732 11.427 0.000) 11.558 7.835 ( -7.616 1.916 0.000) 7.854 8.014 ( 0.565 -3.035 0.000) 3.087 8.034 ( -2.355 5.444 0.000) 5.932 8.485 ( 7.467 -1.071 0.000) 7.544 8.533 ( 2.187 2.437 0.000) 3.274 8.643 ( 3.896 -9.239 0.000) 10.027 8.704 ( -3.385 -7.521 0.000) 8.248 8.951 ( -2.093 -8.005 0.000) 8.274 8.970 ( -3.825 -4.107 0.000) 5.612 9.279 ( 7.471 -3.610 0.000) 8.298 9.387 ( -1.539 -6.050 0.000) 6.243 9.509 ( 4.714 8.518 0.000) 9.736 9.667 ( -4.944 10.150 0.000) 11.290 9.780 ( 1.490 4.020 0.000) 4.288 9.914 ( -6.196 -0.490 0.000) 6.215 10.346 ( 1.812 11.910 0.000) 12.047 10.411 ( -4.285 10.134 0.000) 11.003 10.788 ( 6.027 -3.774 0.000) 7.112 10.865 ( -1.845 2.221 0.000) 2.888 10.995 ( 2.223 -2.980 0.000) 3.718 11.013 ( 2.069 -0.800 0.000) 2.219 11.377 ( 3.136 -2.225 0.000) 3.845 11.476 ( -6.522 -6.197 0.000) 8.997 11.645 ( 6.107 -14.217 0.000) 15.473 11.709 ( -0.239 -11.023 0.000) 11.026 11.742 ( 5.335 -7.685 0.000) 9.355 11.813 ( -2.152 -10.054 0.000) 10.282 12.533 ( 0.814 5.822 0.000) 5.879 12.564 ( -2.504 4.330 0.000) 5.002 12.779 ( 1.861 3.924 0.000) 4.343 12.807 ( -0.248 4.701 0.000) 4.707 13.089 ( 0.277 6.741 0.000) 6.747 13.117 ( -2.726 6.348 0.000) 6.908 13.546 ( 4.429 -9.227 0.000) 10.235 13.608 ( -1.707 -11.728 0.000) 11.851 13.797 ( 4.433 -10.465 0.000) 11.365 13.871 ( -3.165 -8.955 0.000) 9.498 14.452 ( 1.170 -11.575 0.000) 11.634 14.478 ( -1.446 -10.270 0.000) 10.372 14.719 ( 10.266 7.059 0.000) 12.459 14.980 ( -15.603 9.456 0.000) 18.245 15.463 ( 6.067 -1.664 0.000) 6.291 15.586 ( -5.832 -0.355 0.000) 5.843 16.678 ( -0.397 6.043 0.000) 6.056 16.713 ( -3.517 5.802 0.000) 6.785 17.004 ( 1.997 0.961 0.000) 2.216 17.033 ( -0.828 -0.400 0.000) 0.920 17.591 ( 2.353 3.320 0.000) 4.070 17.607 ( 0.696 2.706 0.000) 2.794 17.951 ( -0.495 -3.632 0.000) 3.665 17.962 ( -1.662 -4.142 0.000) 4.462 24.249 ( 4.472 1.959 0.000) 4.882 24.331 ( -3.358 2.176 0.000) 4.001 24.357 ( 1.504 -0.645 0.000) 1.637 24.381 ( -1.365 0.151 0.000) 1.373 25.043 ( 1.908 -1.918 0.000) 2.706 25.081 ( -1.946 -3.014 0.000) 3.588 25.389 ( 3.735 -11.356 0.000) 11.954 25.450 ( -2.397 -12.020 0.000) 12.257 27.243 ( 2.729 19.155 0.000) 19.348 27.304 ( -3.273 18.351 0.000) 18.641 28.233 ( 3.889 0.087 0.000) 3.890 28.281 ( -0.432 -2.836 0.000) 2.868 28.408 ( -0.836 1.450 0.000) 1.674 28.466 ( -7.329 5.381 0.000) 9.092 28.755 ( 5.411 -4.473 0.000) 7.020 28.850 ( -4.099 -4.837 0.000) 6.340 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 0.000 47.346 0.000) 47.346 3.081 ( 0.000 50.668 0.000) 50.668 4.597 ( 0.000 7.448 0.000) 7.448 4.746 ( 0.000 -3.804 0.000) 3.804 4.770 ( 0.000 -34.437 0.000) 34.437 4.908 ( 0.000 20.563 0.000) 20.563 4.923 ( 0.000 60.414 0.000) 60.414 5.129 ( 0.000 -30.254 0.000) 30.254 5.423 ( 0.000 15.364 0.000) 15.364 5.642 ( 0.000 -0.639 0.000) 0.639 6.616 ( 0.000 -15.166 0.000) 15.166 6.843 ( 0.000 6.992 0.000) 6.992 6.948 ( 0.000 -0.397 0.000) 0.397 7.233 ( 0.000 12.380 0.000) 12.380 7.274 ( 0.000 -26.395 0.000) 26.395 7.355 ( 0.000 9.576 0.000) 9.576 7.560 ( 0.000 3.850 0.000) 3.850 7.854 ( 0.000 -1.234 0.000) 1.234 8.154 ( 0.000 12.450 0.000) 12.450 8.174 ( 0.000 4.840 0.000) 4.840 8.186 ( 0.000 -20.299 0.000) 20.299 8.361 ( 0.000 11.989 0.000) 11.989 8.500 ( 0.000 -12.948 0.000) 12.948 8.831 ( 0.000 -5.385 0.000) 5.385 9.027 ( 0.000 12.015 0.000) 12.015 9.046 ( 0.000 -1.384 0.000) 1.384 9.092 ( 0.000 5.808 0.000) 5.808 9.093 ( 0.000 -1.180 0.000) 1.180 9.627 ( 0.000 0.893 0.000) 0.893 9.822 ( 0.000 -7.631 0.000) 7.631 9.951 ( 0.000 6.297 0.000) 6.297 10.178 ( 0.000 4.991 0.000) 4.991 10.297 ( 0.000 -3.676 0.000) 3.676 10.591 ( 0.000 -13.196 0.000) 13.196 10.654 ( 0.000 4.205 0.000) 4.205 10.704 ( 0.000 -0.873 0.000) 0.873 10.807 ( 0.000 20.208 0.000) 20.208 11.220 ( 0.000 -2.180 0.000) 2.180 11.280 ( 0.000 -3.186 0.000) 3.186 11.386 ( 0.000 -6.095 0.000) 6.095 11.409 ( 0.000 6.003 0.000) 6.003 11.526 ( 0.000 -10.155 0.000) 10.155 11.535 ( 0.000 -12.497 0.000) 12.497 11.592 ( 0.000 -1.958 0.000) 1.958 12.718 ( 0.000 9.934 0.000) 9.934 12.732 ( 0.000 3.657 0.000) 3.657 12.777 ( 0.000 3.239 0.000) 3.239 12.890 ( 0.000 4.626 0.000) 4.626 13.236 ( 0.000 -1.513 0.000) 1.513 13.280 ( 0.000 -0.694 0.000) 0.694 13.284 ( 0.000 -14.827 0.000) 14.827 13.330 ( 0.000 -3.862 0.000) 3.862 13.497 ( 0.000 2.825 0.000) 2.825 13.859 ( 0.000 1.569 0.000) 1.569 14.090 ( 0.000 -16.442 0.000) 16.442 14.268 ( 0.000 -12.896 0.000) 12.896 14.725 ( 0.000 13.136 0.000) 13.136 15.236 ( 0.000 -7.179 0.000) 7.179 15.536 ( 0.000 5.722 0.000) 5.722 15.705 ( 0.000 -1.004 0.000) 1.004 16.911 ( 0.000 2.438 0.000) 2.438 16.950 ( 0.000 1.376 0.000) 1.376 16.951 ( 0.000 1.906 0.000) 1.906 16.982 ( 0.000 -0.428 0.000) 0.428 17.616 ( 0.000 6.235 0.000) 6.235 17.641 ( 0.000 4.396 0.000) 4.396 17.861 ( 0.000 -5.689 0.000) 5.689 17.893 ( 0.000 -6.567 0.000) 6.567 24.188 ( 0.000 2.265 0.000) 2.265 24.266 ( 0.000 -1.317 0.000) 1.317 24.424 ( 0.000 2.783 0.000) 2.783 24.464 ( 0.000 0.895 0.000) 0.895 24.982 ( 0.000 0.065 0.000) 0.065 25.063 ( 0.000 -1.578 0.000) 1.578 25.111 ( 0.000 -6.680 0.000) 6.680 25.237 ( 0.000 -10.198 0.000) 10.198 27.594 ( 0.000 18.112 0.000) 18.112 27.733 ( 0.000 15.649 0.000) 15.649 28.109 ( 0.000 -5.075 0.000) 5.075 28.190 ( 0.000 -5.712 0.000) 5.712 28.479 ( 0.000 -1.871 0.000) 1.871 28.499 ( 0.000 -2.104 0.000) 2.104 28.770 ( 0.000 -1.694 0.000) 1.694 28.803 ( 0.000 -3.469 0.000) 3.469 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 7.926 44.130 0.000) 44.836 3.225 ( 14.169 48.098 0.000) 50.141 4.200 ( -26.181 15.896 0.000) 30.629 4.629 ( -22.488 26.490 0.000) 34.748 4.765 ( -0.553 -37.047 0.000) 37.051 4.856 ( 0.331 -16.129 0.000) 16.132 5.097 ( 14.511 60.435 0.000) 62.153 5.215 ( 7.586 -36.470 0.000) 37.251 5.524 ( 8.648 26.534 0.000) 27.908 5.693 ( 1.692 -13.463 0.000) 13.569 6.726 ( 9.637 -13.746 0.000) 16.788 6.869 ( 0.407 5.860 0.000) 5.874 7.003 ( 5.972 2.700 0.000) 6.554 7.039 ( -9.365 -0.112 0.000) 9.365 7.152 ( -7.199 14.591 0.000) 16.271 7.433 ( -11.753 7.460 0.000) 13.921 7.577 ( 10.078 -9.182 0.000) 13.634 7.894 ( 2.379 -4.146 0.000) 4.780 8.060 ( -6.105 9.506 0.000) 11.297 8.189 ( -2.438 3.730 0.000) 4.456 8.228 ( 5.669 -16.234 0.000) 17.195 8.397 ( 3.308 8.110 0.000) 8.759 8.499 ( 0.417 -8.883 0.000) 8.893 8.718 ( -6.554 -1.776 0.000) 6.790 9.011 ( -1.668 9.025 0.000) 9.178 9.033 ( -5.880 -2.067 0.000) 6.233 9.138 ( 3.391 1.587 0.000) 3.744 9.166 ( 6.838 -6.932 0.000) 9.737 9.598 ( -0.016 4.434 0.000) 4.434 9.836 ( -5.819 7.803 0.000) 9.733 9.864 ( 2.098 -6.660 0.000) 6.983 10.061 ( -9.592 2.239 0.000) 9.850 10.449 ( 9.449 -1.650 0.000) 9.592 10.624 ( -1.081 5.568 0.000) 5.672 10.705 ( 7.297 0.088 0.000) 7.298 10.793 ( 6.802 -2.172 0.000) 7.140 10.826 ( 4.200 6.778 0.000) 7.974 11.136 ( -8.296 2.592 0.000) 8.691 11.310 ( 2.712 -3.754 0.000) 4.631 11.329 ( -2.510 -1.041 0.000) 2.718 11.423 ( -6.251 -11.128 0.000) 12.763 11.450 ( 1.542 -5.719 0.000) 5.923 11.590 ( 1.799 -10.888 0.000) 11.035 11.606 ( 0.686 -3.853 0.000) 3.913 12.712 ( -0.493 10.027 0.000) 10.039 12.723 ( -0.625 6.442 0.000) 6.472 12.802 ( 2.162 3.035 0.000) 3.726 12.898 ( 0.533 4.298 0.000) 4.331 13.168 ( -2.301 -3.104 0.000) 3.863 13.245 ( -2.649 -0.106 0.000) 2.651 13.345 ( 1.720 -13.374 0.000) 13.484 13.350 ( 1.203 -5.551 0.000) 5.680 13.555 ( 5.568 2.983 0.000) 6.316 13.835 ( -2.381 1.664 0.000) 2.904 14.115 ( 2.262 -15.919 0.000) 16.079 14.255 ( -1.302 -13.062 0.000) 13.126 14.781 ( 5.849 13.493 0.000) 14.706 15.278 ( 4.194 -6.793 0.000) 7.983 15.438 ( -9.341 7.592 0.000) 12.037 15.665 ( -4.276 -2.122 0.000) 4.773 16.851 ( -3.903 4.641 0.000) 6.064 16.895 ( -3.447 3.545 0.000) 4.944 16.976 ( 0.645 -0.490 0.000) 0.810 16.996 ( 0.253 -2.204 0.000) 2.218 17.637 ( 1.843 5.548 0.000) 5.846 17.654 ( 1.214 4.231 0.000) 4.402 17.865 ( 0.178 -5.288 0.000) 5.291 17.884 ( -0.757 -5.915 0.000) 5.963 24.218 ( 2.889 2.237 0.000) 3.654 24.293 ( 2.451 -1.264 0.000) 2.758 24.416 ( -0.904 2.335 0.000) 2.504 24.441 ( -2.309 0.990 0.000) 2.512 24.994 ( 1.118 0.043 0.000) 1.119 25.056 ( -0.597 -1.194 0.000) 1.335 25.131 ( 1.958 -7.140 0.000) 7.404 25.237 ( -0.228 -9.985 0.000) 9.987 27.605 ( 1.059 18.012 0.000) 18.043 27.718 ( -1.502 16.011 0.000) 16.082 28.125 ( 1.527 -5.630 0.000) 5.833 28.189 ( -0.115 -6.055 0.000) 6.056 28.449 ( -0.865 0.746 0.000) 1.142 28.561 ( 4.121 -4.092 0.000) 5.807 28.686 ( -6.535 0.832 0.000) 6.588 28.799 ( -1.735 -4.742 0.000) 5.050 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 17.434 35.581 0.000) 39.623 3.593 ( 16.468 40.385 0.000) 43.613 3.704 ( -17.306 26.604 0.000) 31.737 4.124 ( -27.211 33.967 0.000) 43.522 4.762 ( 0.782 -33.197 0.000) 33.206 4.806 ( -3.410 -25.817 0.000) 26.042 5.410 ( 11.686 -36.226 0.000) 38.064 5.425 ( 16.054 51.795 0.000) 54.226 5.620 ( -1.866 35.681 0.000) 35.730 5.626 ( -8.454 -31.812 0.000) 32.916 6.882 ( 3.097 -1.610 0.000) 3.491 6.897 ( 4.852 -12.702 0.000) 13.597 6.931 ( -1.208 11.284 0.000) 11.348 7.005 ( -6.975 17.824 0.000) 19.140 7.143 ( 3.701 12.974 0.000) 13.491 7.201 ( -7.826 15.345 0.000) 17.225 7.760 ( 10.887 -6.053 0.000) 12.456 7.922 ( 1.506 -6.033 0.000) 6.219 7.954 ( -4.827 3.994 0.000) 6.265 8.034 ( -11.926 -2.832 0.000) 12.258 8.386 ( 7.240 -10.397 0.000) 12.669 8.447 ( 0.390 -1.684 0.000) 1.729 8.542 ( 4.692 -3.924 0.000) 6.117 8.638 ( -2.948 -1.281 0.000) 3.215 8.914 ( -3.602 1.439 0.000) 3.879 8.945 ( -4.575 6.060 0.000) 7.593 9.202 ( 2.926 -4.381 0.000) 5.268 9.235 ( 0.251 -8.654 0.000) 8.658 9.673 ( 7.063 6.701 0.000) 9.736 9.798 ( -0.147 4.229 0.000) 4.231 9.866 ( -1.784 -3.313 0.000) 3.763 9.867 ( -8.100 3.140 0.000) 8.687 10.585 ( 3.911 8.965 0.000) 9.781 10.615 ( -0.253 9.231 0.000) 9.234 10.787 ( 4.754 4.943 0.000) 6.858 10.922 ( -0.910 -2.766 0.000) 2.911 10.959 ( -2.299 4.007 0.000) 4.620 10.974 ( 5.367 -4.348 0.000) 6.907 11.286 ( -1.968 -6.090 0.000) 6.400 11.295 ( -4.079 -11.405 0.000) 12.112 11.390 ( 3.720 -6.362 0.000) 7.370 11.452 ( -1.753 -8.983 0.000) 9.153 11.607 ( 0.147 -9.680 0.000) 9.681 11.608 ( -0.175 -7.343 0.000) 7.345 12.705 ( -0.124 10.042 0.000) 10.043 12.710 ( -0.589 9.217 0.000) 9.236 12.855 ( 2.891 3.745 0.000) 4.731 12.897 ( -1.047 3.961 0.000) 4.097 13.160 ( 0.940 -1.145 0.000) 1.481 13.193 ( -2.370 0.070 0.000) 2.371 13.359 ( 0.388 -12.128 0.000) 12.134 13.364 ( 0.115 -9.028 0.000) 9.029 13.673 ( 5.713 1.864 0.000) 6.009 13.770 ( -4.158 1.768 0.000) 4.519 14.168 ( 2.851 -14.753 0.000) 15.026 14.219 ( -2.290 -13.663 0.000) 13.853 14.953 ( 11.400 13.299 0.000) 17.516 15.205 ( -13.412 11.067 0.000) 17.388 15.393 ( 7.242 -5.680 0.000) 9.204 15.544 ( -7.566 -4.017 0.000) 8.566 16.804 ( -0.491 5.725 0.000) 5.746 16.830 ( -2.727 4.995 0.000) 5.691 16.983 ( 0.272 -2.381 0.000) 2.397 16.991 ( -0.480 -3.163 0.000) 3.199 17.671 ( 1.265 4.325 0.000) 4.506 17.677 ( 0.691 3.918 0.000) 3.979 17.865 ( -0.052 -4.521 0.000) 4.522 17.869 ( -0.579 -4.715 0.000) 4.750 24.292 ( 4.317 2.033 0.000) 4.772 24.346 ( 2.682 -0.547 0.000) 2.737 24.375 ( -3.834 1.757 0.000) 4.218 24.392 ( -1.963 0.695 0.000) 2.082 25.019 ( 1.271 -0.055 0.000) 1.272 25.041 ( -0.961 -0.475 0.000) 1.072 25.179 ( 2.590 -8.234 0.000) 8.632 25.221 ( -1.495 -9.314 0.000) 9.433 27.635 ( 2.008 17.610 0.000) 17.725 27.679 ( -2.284 16.842 0.000) 16.996 28.159 ( 1.687 -6.781 0.000) 6.988 28.183 ( -0.672 -6.816 0.000) 6.849 28.463 ( 2.588 3.360 0.000) 4.241 28.553 ( -6.291 3.484 0.000) 7.191 28.649 ( 4.716 -5.357 0.000) 7.137 28.738 ( -4.147 -5.554 0.000) 6.932 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 0.000 -44.442 0.000) 44.442 3.903 ( 0.000 44.442 0.000) 44.442 4.122 ( 0.000 -47.955 0.000) 47.955 4.122 ( 0.000 47.955 0.000) 47.955 4.705 ( 0.000 -0.274 0.000) 0.274 4.705 ( 0.000 0.274 0.000) 0.274 5.324 ( 0.000 -16.626 0.000) 16.626 5.324 ( 0.000 16.626 0.000) 16.626 6.094 ( 0.000 -32.636 0.000) 32.636 6.094 ( 0.000 32.636 0.000) 32.636 6.259 ( 0.000 -50.539 0.000) 50.539 6.259 ( 0.000 50.539 0.000) 50.539 6.971 ( 0.000 -5.993 0.000) 5.993 6.971 ( 0.000 5.993 0.000) 5.993 7.465 ( 0.000 -9.361 0.000) 9.361 7.465 ( 0.000 9.361 0.000) 9.361 7.710 ( 0.000 -18.547 0.000) 18.547 7.710 ( 0.000 18.547 0.000) 18.547 8.167 ( 0.000 -17.516 0.000) 17.516 8.167 ( 0.000 17.516 0.000) 17.516 8.264 ( 0.000 -1.315 0.000) 1.315 8.264 ( 0.000 1.315 0.000) 1.315 8.673 ( 0.000 -11.973 0.000) 11.973 8.673 ( 0.000 11.973 0.000) 11.973 9.047 ( 0.000 -2.072 0.000) 2.072 9.047 ( 0.000 2.072 0.000) 2.072 9.153 ( 0.000 -0.552 0.000) 0.552 9.153 ( 0.000 0.552 0.000) 0.552 9.681 ( 0.000 -4.809 0.000) 4.809 9.681 ( 0.000 4.809 0.000) 4.809 10.162 ( 0.000 -10.601 0.000) 10.601 10.162 ( 0.000 10.601 0.000) 10.601 10.313 ( 0.000 -10.118 0.000) 10.118 10.313 ( 0.000 10.118 0.000) 10.118 10.693 ( 0.000 -0.395 0.000) 0.395 10.693 ( 0.000 0.395 0.000) 0.395 11.176 ( 0.000 -13.545 0.000) 13.545 11.176 ( 0.000 13.545 0.000) 13.545 11.249 ( 0.000 -5.183 0.000) 5.183 11.249 ( 0.000 5.183 0.000) 5.183 11.369 ( 0.000 -2.776 0.000) 2.776 11.369 ( 0.000 2.776 0.000) 2.776 11.525 ( 0.000 -4.678 0.000) 4.678 11.525 ( 0.000 4.678 0.000) 4.678 12.821 ( 0.000 -2.676 0.000) 2.676 12.821 ( 0.000 2.676 0.000) 2.676 12.898 ( 0.000 -5.359 0.000) 5.359 12.898 ( 0.000 5.359 0.000) 5.359 13.115 ( 0.000 -2.229 0.000) 2.229 13.115 ( 0.000 2.229 0.000) 2.229 13.259 ( 0.000 -1.456 0.000) 1.456 13.259 ( 0.000 1.456 0.000) 1.456 13.746 ( 0.000 -15.998 0.000) 15.998 13.746 ( 0.000 15.998 0.000) 15.998 14.008 ( 0.000 -11.111 0.000) 11.111 14.008 ( 0.000 11.111 0.000) 11.111 15.018 ( 0.000 -13.298 0.000) 13.298 15.018 ( 0.000 13.298 0.000) 13.298 15.646 ( 0.000 -4.413 0.000) 4.413 15.646 ( 0.000 4.413 0.000) 4.413 16.958 ( 0.000 -1.839 0.000) 1.839 16.958 ( 0.000 1.839 0.000) 1.839 16.966 ( 0.000 -0.164 0.000) 0.164 16.966 ( 0.000 0.164 0.000) 0.164 17.744 ( 0.000 -5.409 0.000) 5.409 17.744 ( 0.000 5.409 0.000) 5.409 17.753 ( 0.000 -6.745 0.000) 6.745 17.753 ( 0.000 6.745 0.000) 6.745 24.233 ( 0.000 -1.887 0.000) 1.887 24.233 ( 0.000 1.887 0.000) 1.887 24.467 ( 0.000 -0.975 0.000) 0.975 24.467 ( 0.000 0.975 0.000) 0.975 25.011 ( 0.000 -2.951 0.000) 2.951 25.011 ( 0.000 2.951 0.000) 2.951 25.085 ( 0.000 -4.118 0.000) 4.118 25.085 ( 0.000 4.118 0.000) 4.118 27.921 ( 0.000 -12.719 0.000) 12.719 27.921 ( 0.000 12.719 0.000) 12.719 28.016 ( 0.000 -11.108 0.000) 11.108 28.016 ( 0.000 11.108 0.000) 11.108 28.468 ( 0.000 -0.680 0.000) 0.680 28.468 ( 0.000 0.680 0.000) 0.680 28.757 ( 0.000 -0.734 0.000) 0.734 28.757 ( 0.000 0.734 0.000) 0.734 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 2.587 -42.541 0.000) 42.620 3.925 ( 2.587 42.541 0.000) 42.620 4.214 ( 8.623 -43.133 0.000) 43.986 4.214 ( 8.623 43.133 0.000) 43.986 4.554 ( -12.372 -11.253 0.000) 16.724 4.554 ( -12.372 11.253 0.000) 16.724 5.192 ( -12.685 -26.146 0.000) 29.060 5.192 ( -12.685 26.146 0.000) 29.060 6.228 ( 10.780 -31.644 0.000) 33.430 6.228 ( 10.780 31.644 0.000) 33.430 6.313 ( 4.742 -47.292 0.000) 47.529 6.313 ( 4.742 47.292 0.000) 47.529 7.045 ( 7.265 -2.474 0.000) 7.675 7.045 ( 7.265 2.474 0.000) 7.675 7.397 ( -5.688 -8.791 0.000) 10.470 7.397 ( -5.688 8.791 0.000) 10.470 7.713 ( 0.651 -13.937 0.000) 13.952 7.713 ( 0.651 13.937 0.000) 13.952 8.216 ( -6.254 -3.244 0.000) 7.045 8.216 ( -6.254 3.244 0.000) 7.045 8.235 ( 6.407 -13.999 0.000) 15.396 8.235 ( 6.407 13.999 0.000) 15.396 8.619 ( -4.574 -10.281 0.000) 11.253 8.619 ( -4.574 10.281 0.000) 11.253 9.033 ( -0.646 -3.944 0.000) 3.997 9.033 ( -0.646 3.944 0.000) 3.997 9.134 ( -1.843 -2.520 0.000) 3.122 9.134 ( -1.843 2.520 0.000) 3.122 9.719 ( 3.211 -6.786 0.000) 7.507 9.719 ( 3.211 6.786 0.000) 7.507 10.012 ( -8.590 -7.099 0.000) 11.144 10.012 ( -8.590 7.099 0.000) 11.144 10.514 ( 13.426 -8.824 0.000) 16.066 10.514 ( 13.426 8.824 0.000) 16.066 10.723 ( 2.981 -4.179 0.000) 5.133 10.723 ( 2.981 4.179 0.000) 5.133 11.123 ( -4.591 -14.195 0.000) 14.919 11.123 ( -4.591 14.195 0.000) 14.919 11.215 ( -3.741 -6.248 0.000) 7.282 11.215 ( -3.741 6.248 0.000) 7.282 11.393 ( 1.791 -7.034 0.000) 7.259 11.393 ( 1.791 7.034 0.000) 7.259 11.496 ( -2.419 -6.013 0.000) 6.481 11.496 ( -2.419 6.013 0.000) 6.481 12.846 ( 2.195 -2.620 0.000) 3.418 12.846 ( 2.195 2.620 0.000) 3.418 12.899 ( 0.100 -5.829 0.000) 5.830 12.899 ( 0.100 5.829 0.000) 5.830 13.117 ( 0.415 -5.223 0.000) 5.240 13.117 ( 0.415 5.223 0.000) 5.240 13.244 ( -1.526 -2.791 0.000) 3.181 13.244 ( -1.526 2.791 0.000) 3.181 13.783 ( 3.459 -15.148 0.000) 15.538 13.783 ( 3.459 15.148 0.000) 15.538 13.990 ( -1.833 -11.427 0.000) 11.574 13.990 ( -1.833 11.427 0.000) 11.574 15.070 ( 5.265 -12.771 0.000) 13.814 15.070 ( 5.265 12.771 0.000) 13.814 15.581 ( -6.417 -5.733 0.000) 8.605 15.581 ( -6.417 5.733 0.000) 8.605 16.937 ( -1.722 -3.465 0.000) 3.869 16.937 ( -1.722 3.465 0.000) 3.869 16.950 ( -1.494 -1.894 0.000) 2.412 16.950 ( -1.494 1.894 0.000) 2.412 17.754 ( 0.819 -5.175 0.000) 5.239 17.754 ( 0.819 5.175 0.000) 5.239 17.759 ( 0.526 -6.036 0.000) 6.059 17.759 ( 0.526 6.036 0.000) 6.059 24.261 ( 2.730 -1.813 0.000) 3.277 24.261 ( 2.730 1.813 0.000) 3.277 24.448 ( -1.834 -0.587 0.000) 1.926 24.448 ( -1.834 0.587 0.000) 1.926 25.025 ( 1.289 -3.128 0.000) 3.383 25.025 ( 1.289 3.128 0.000) 3.383 25.085 ( -0.068 -4.281 0.000) 4.281 25.085 ( -0.068 4.281 0.000) 4.281 27.930 ( 0.955 -12.791 0.000) 12.827 27.930 ( 0.955 12.791 0.000) 12.827 28.008 ( -0.821 -11.453 0.000) 11.482 28.008 ( -0.821 11.453 0.000) 11.482 28.487 ( 1.937 -2.787 0.000) 3.394 28.487 ( 1.937 2.787 0.000) 3.394 28.720 ( -3.600 -2.657 0.000) 4.474 28.720 ( -3.600 2.657 0.000) 4.474 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( 7.726 -36.480 0.000) 37.289 4.023 ( 7.726 36.480 0.000) 37.289 4.223 ( -11.397 -23.482 0.000) 26.102 4.223 ( -11.397 23.482 0.000) 26.102 4.532 ( 14.706 -40.015 0.000) 42.632 4.532 ( 14.706 40.015 0.000) 42.632 4.875 ( -18.260 -36.772 0.000) 41.056 4.875 ( -18.260 36.772 0.000) 41.056 6.399 ( 4.709 -32.156 0.000) 32.499 6.399 ( 4.709 32.156 0.000) 32.499 6.402 ( 3.307 -37.184 0.000) 37.330 6.402 ( 3.307 37.184 0.000) 37.330 7.206 ( 7.085 -7.854 0.000) 10.577 7.206 ( 7.085 7.854 0.000) 10.577 7.298 ( -3.810 -8.021 0.000) 8.880 7.298 ( -3.810 8.021 0.000) 8.880 7.774 ( 7.153 -6.822 0.000) 9.885 7.774 ( 7.153 6.822 0.000) 9.885 8.002 ( -13.935 -2.984 0.000) 14.251 8.002 ( -13.935 2.984 0.000) 14.251 8.385 ( 7.977 -8.373 0.000) 11.564 8.385 ( 7.977 8.373 0.000) 11.564 8.521 ( -5.707 -7.961 0.000) 9.795 8.521 ( -5.707 7.961 0.000) 9.795 9.042 ( 1.631 -8.946 0.000) 9.093 9.042 ( 1.631 8.946 0.000) 9.093 9.088 ( -2.679 -6.481 0.000) 7.013 9.088 ( -2.679 6.481 0.000) 7.013 9.788 ( 3.733 -4.405 0.000) 5.775 9.788 ( 3.733 4.405 0.000) 5.775 9.874 ( -5.480 -2.391 0.000) 5.979 9.874 ( -5.480 2.391 0.000) 5.979 10.757 ( 9.495 -9.201 0.000) 13.222 10.757 ( 9.495 9.201 0.000) 13.222 10.796 ( 3.558 -8.075 0.000) 8.824 10.796 ( 3.558 8.075 0.000) 8.824 11.034 ( -2.744 -11.960 0.000) 12.271 11.034 ( -2.744 11.960 0.000) 12.271 11.099 ( -7.319 -9.347 0.000) 11.871 11.099 ( -7.319 9.347 0.000) 11.871 11.424 ( 1.410 -6.999 0.000) 7.140 11.424 ( 1.410 6.999 0.000) 7.140 11.453 ( -1.741 -6.313 0.000) 6.549 11.453 ( -1.741 6.313 0.000) 6.549 12.886 ( 1.472 -4.353 0.000) 4.595 12.886 ( 1.472 4.353 0.000) 4.595 12.900 ( -0.144 -6.129 0.000) 6.131 12.900 ( -0.144 6.129 0.000) 6.131 13.143 ( 2.375 -5.249 0.000) 5.761 13.143 ( 2.375 5.249 0.000) 5.761 13.199 ( -2.904 -4.354 0.000) 5.233 13.199 ( -2.904 4.354 0.000) 5.233 13.863 ( 4.245 -13.570 0.000) 14.218 13.863 ( 4.245 13.570 0.000) 14.218 13.939 ( -3.327 -12.285 0.000) 12.728 13.939 ( -3.327 12.285 0.000) 12.728 15.217 ( 9.285 -11.063 0.000) 14.443 15.217 ( 9.285 11.063 0.000) 14.443 15.413 ( -10.046 -8.413 0.000) 13.103 15.413 ( -10.046 8.413 0.000) 13.103 16.911 ( -0.551 -4.447 0.000) 4.481 16.911 ( -0.551 4.447 0.000) 4.481 16.919 ( -1.278 -3.644 0.000) 3.861 16.919 ( -1.278 3.644 0.000) 3.861 17.768 ( 0.431 -4.672 0.000) 4.692 17.768 ( 0.431 4.672 0.000) 4.692 17.768 ( 0.320 -4.861 0.000) 4.872 17.768 ( 0.320 4.861 0.000) 4.872 24.328 ( 3.744 -1.321 0.000) 3.971 24.328 ( 3.744 1.321 0.000) 3.971 24.398 ( -3.212 -0.357 0.000) 3.232 24.398 ( -3.212 0.357 0.000) 3.232 25.054 ( 1.529 -3.704 0.000) 4.007 25.054 ( 1.529 3.704 0.000) 4.007 25.078 ( -0.771 -4.259 0.000) 4.329 25.078 ( -0.771 4.259 0.000) 4.329 27.956 ( 1.519 -12.735 0.000) 12.825 27.956 ( 1.519 12.735 0.000) 12.825 27.986 ( -1.430 -12.202 0.000) 12.285 27.986 ( -1.430 12.202 0.000) 12.285 28.544 ( 3.843 -4.468 0.000) 5.893 28.544 ( 3.843 4.468 0.000) 5.893 28.632 ( -4.869 -4.395 0.000) 6.560 28.632 ( -4.869 4.395 0.000) 6.560 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.000 0.000 49.270) 49.270 1.064 ( 0.000 0.000 50.379) 50.379 2.084 ( 0.000 0.000 98.306) 98.306 3.114 ( 0.000 0.000 11.947) 11.947 4.455 ( 0.000 0.000 21.323) 21.323 5.007 ( 0.000 0.000 -23.854) 23.854 5.070 ( 0.000 0.000 -3.745) 3.745 5.231 ( 0.000 0.000 -8.148) 8.148 5.702 ( 0.000 0.000 8.080) 8.080 5.733 ( 0.000 0.000 -3.793) 3.793 6.438 ( 0.000 0.000 4.419) 4.419 6.516 ( 0.000 0.000 6.240) 6.240 6.549 ( 0.000 0.000 23.816) 23.816 7.054 ( 0.000 0.000 -9.974) 9.974 7.121 ( 0.000 0.000 -1.040) 1.040 7.416 ( 0.000 0.000 -2.993) 2.993 7.856 ( 0.000 0.000 -18.104) 18.104 8.002 ( 0.000 0.000 -22.998) 22.998 8.065 ( 0.000 0.000 -1.347) 1.347 8.091 ( 0.000 0.000 -7.425) 7.425 8.447 ( 0.000 0.000 -4.151) 4.151 8.488 ( 0.000 0.000 1.092) 1.092 8.582 ( 0.000 0.000 2.425) 2.425 8.687 ( 0.000 0.000 1.086) 1.086 8.893 ( 0.000 0.000 -4.065) 4.065 9.074 ( 0.000 0.000 -3.897) 3.897 9.310 ( 0.000 0.000 -4.393) 4.393 9.338 ( 0.000 0.000 -5.866) 5.866 9.380 ( 0.000 0.000 5.820) 5.820 9.576 ( 0.000 0.000 4.591) 4.591 9.754 ( 0.000 0.000 10.725) 10.725 10.036 ( 0.000 0.000 2.671) 2.671 10.081 ( 0.000 0.000 -2.706) 2.706 10.269 ( 0.000 0.000 -4.778) 4.778 10.377 ( 0.000 0.000 -3.481) 3.481 10.647 ( 0.000 0.000 -3.019) 3.019 10.826 ( 0.000 0.000 -14.727) 14.727 11.120 ( 0.000 0.000 -9.742) 9.742 11.184 ( 0.000 0.000 -1.636) 1.636 11.334 ( 0.000 0.000 -4.984) 4.984 11.463 ( 0.000 0.000 -6.361) 6.361 11.931 ( 0.000 0.000 -12.653) 12.653 12.108 ( 0.000 0.000 5.135) 5.135 12.294 ( 0.000 0.000 -0.821) 0.821 12.376 ( 0.000 0.000 3.493) 3.493 12.492 ( 0.000 0.000 -0.219) 0.219 12.743 ( 0.000 0.000 13.855) 13.855 12.896 ( 0.000 0.000 7.840) 7.840 12.993 ( 0.000 0.000 7.785) 7.785 13.536 ( 0.000 0.000 11.555) 11.555 13.629 ( 0.000 0.000 -6.908) 6.908 13.890 ( 0.000 0.000 4.588) 4.588 13.945 ( 0.000 0.000 4.550) 4.550 13.945 ( 0.000 0.000 0.977) 0.977 14.586 ( 0.000 0.000 2.093) 2.093 14.616 ( 0.000 0.000 -9.690) 9.690 14.780 ( 0.000 0.000 0.791) 0.791 15.300 ( 0.000 0.000 -5.197) 5.197 15.308 ( 0.000 0.000 -8.528) 8.528 15.516 ( 0.000 0.000 -6.354) 6.354 16.013 ( 0.000 0.000 -3.597) 3.597 16.711 ( 0.000 0.000 -0.709) 0.709 16.734 ( 0.000 0.000 5.039) 5.039 16.906 ( 0.000 0.000 -3.042) 3.042 17.520 ( 0.000 0.000 0.999) 0.999 17.848 ( 0.000 0.000 -16.143) 16.143 18.166 ( 0.000 0.000 -3.523) 3.523 18.732 ( 0.000 0.000 1.044) 1.044 24.136 ( 0.000 0.000 3.503) 3.503 24.323 ( 0.000 0.000 1.152) 1.152 24.352 ( 0.000 0.000 1.398) 1.398 24.502 ( 0.000 0.000 4.971) 4.971 25.074 ( 0.000 0.000 3.824) 3.824 25.310 ( 0.000 0.000 2.562) 2.562 25.581 ( 0.000 0.000 -0.027) 0.027 25.658 ( 0.000 0.000 1.468) 1.468 25.881 ( 0.000 0.000 2.519) 2.519 26.597 ( 0.000 0.000 -3.647) 3.647 26.890 ( 0.000 0.000 -2.440) 2.440 27.827 ( 0.000 0.000 -20.568) 20.568 28.603 ( 0.000 0.000 15.526) 15.526 28.626 ( 0.000 0.000 3.329) 3.329 29.090 ( 0.000 0.000 17.388) 17.388 31.353 ( 0.000 0.000 -3.139) 3.139 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 28.007 0.000 37.247) 46.602 1.514 ( 36.616 0.000 36.503) 51.703 2.518 ( 41.188 0.000 79.035) 89.123 2.979 ( -13.863 0.000 13.430) 19.301 3.908 ( -38.651 0.000 13.806) 41.043 4.998 ( -2.892 0.000 -3.500) 4.540 5.261 ( -1.683 0.000 -10.133) 10.272 5.297 ( -1.202 0.000 -2.481) 2.757 5.693 ( 2.903 0.000 7.262) 7.821 5.802 ( 3.492 0.000 -2.011) 4.029 6.051 ( -10.437 0.000 12.643) 16.394 6.491 ( 1.463 0.000 -8.154) 8.284 6.785 ( 8.687 0.000 14.113) 16.572 7.093 ( 4.902 0.000 -6.331) 8.007 7.221 ( 8.967 0.000 -5.563) 10.553 7.557 ( 9.272 0.000 1.248) 9.355 7.830 ( -5.625 0.000 -16.237) 17.184 7.893 ( -13.177 0.000 -2.385) 13.391 7.942 ( -8.318 0.000 -16.376) 18.368 8.061 ( -3.827 0.000 -5.679) 6.848 8.448 ( 0.276 0.000 -5.308) 5.316 8.454 ( -0.950 0.000 -6.034) 6.109 8.551 ( -2.422 0.000 -3.123) 3.952 8.836 ( 6.170 0.000 -4.161) 7.442 8.996 ( 8.644 0.000 -1.774) 8.824 9.036 ( -2.596 0.000 -3.239) 4.151 9.157 ( -3.631 0.000 -5.621) 6.691 9.414 ( 0.918 0.000 2.290) 2.467 9.501 ( 5.151 0.000 -4.209) 6.652 9.575 ( 1.631 0.000 7.192) 7.375 9.703 ( -3.760 0.000 6.148) 7.207 9.970 ( -5.923 0.000 4.329) 7.337 10.049 ( -1.223 0.000 -2.801) 3.056 10.261 ( -4.482 0.000 -2.483) 5.124 10.580 ( 15.818 0.000 -15.061) 21.841 10.705 ( 4.823 0.000 -4.568) 6.643 10.832 ( 0.474 0.000 -13.970) 13.978 11.021 ( -2.979 0.000 -5.971) 6.673 11.212 ( 3.075 0.000 -1.613) 3.472 11.472 ( 10.318 0.000 -8.893) 13.621 11.702 ( 12.279 0.000 -10.751) 16.320 11.758 ( -12.250 0.000 -5.542) 13.445 12.229 ( 6.988 0.000 -1.809) 7.218 12.320 ( 2.347 0.000 -2.286) 3.276 12.328 ( 0.131 0.000 9.370) 9.371 12.534 ( 3.520 0.000 0.817) 3.614 12.753 ( 1.226 0.000 14.373) 14.425 12.828 ( -6.142 0.000 7.536) 9.722 12.963 ( -2.961 0.000 8.721) 9.210 13.186 ( -15.727 0.000 16.643) 22.898 13.893 ( 0.374 0.000 3.916) 3.934 13.941 ( -0.498 0.000 1.331) 1.421 13.970 ( 10.359 0.000 -6.276) 12.112 14.011 ( 7.595 0.000 -1.308) 7.707 14.602 ( 1.637 0.000 2.090) 2.654 14.619 ( 0.517 0.000 -9.913) 9.926 14.759 ( -2.070 0.000 1.038) 2.315 15.048 ( -16.029 0.000 -0.595) 16.040 15.347 ( 2.473 0.000 -8.680) 9.026 15.544 ( -0.575 0.000 -5.870) 5.898 16.205 ( 14.544 0.000 -12.266) 19.025 16.723 ( -1.637 0.000 3.322) 3.704 16.732 ( 2.019 0.000 -0.969) 2.239 16.889 ( -1.660 0.000 -2.848) 3.296 17.528 ( 0.914 0.000 1.087) 1.420 17.861 ( 1.380 0.000 -13.487) 13.558 18.130 ( -4.109 0.000 -3.323) 5.285 18.158 ( -32.052 0.000 26.017) 41.282 24.166 ( 2.977 0.000 3.447) 4.554 24.342 ( -0.529 0.000 2.470) 2.526 24.372 ( 1.432 0.000 -0.516) 1.522 24.491 ( -1.675 0.000 4.484) 4.787 25.094 ( 2.353 0.000 3.617) 4.315 25.297 ( -2.204 0.000 3.614) 4.233 25.675 ( 1.696 0.000 1.506) 2.268 25.853 ( -2.641 0.000 2.296) 3.499 26.363 ( 51.804 0.000 -44.125) 68.049 26.631 ( 3.290 0.000 -3.407) 4.736 26.866 ( -2.389 0.000 -2.491) 3.452 27.766 ( -6.458 0.000 -23.434) 24.308 28.593 ( -0.622 0.000 13.518) 13.533 28.620 ( -0.689 0.000 4.459) 4.512 29.156 ( 6.719 0.000 21.422) 22.450 30.542 ( -52.452 0.000 43.526) 68.159 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 32.839 0.000 24.517) 40.981 2.292 ( 41.283 0.000 26.724) 49.178 2.577 ( -26.554 0.000 17.449) 31.774 3.104 ( -40.466 0.000 19.863) 45.078 3.528 ( 55.621 0.000 49.832) 74.679 4.620 ( -52.131 0.000 31.897) 61.115 5.019 ( 4.786 0.000 -4.703) 6.710 5.152 ( -7.650 0.000 -7.275) 10.557 5.785 ( 4.663 0.000 3.053) 5.574 5.837 ( -0.332 0.000 -0.810) 0.875 6.286 ( 17.315 0.000 -16.718) 24.069 6.485 ( -3.664 0.000 -12.873) 13.384 7.001 ( 16.161 0.000 12.633) 20.513 7.258 ( 11.657 0.000 -4.190) 12.387 7.416 ( -22.373 0.000 3.063) 22.582 7.418 ( 6.759 0.000 -11.797) 13.596 7.607 ( -10.260 0.000 3.069) 10.709 7.738 ( -12.163 0.000 -11.859) 16.988 7.832 ( 7.654 0.000 -4.177) 8.720 7.971 ( -5.870 0.000 -2.935) 6.563 8.465 ( 1.521 0.000 -7.333) 7.489 8.504 ( -2.277 0.000 -7.342) 7.687 8.557 ( 10.601 0.000 -12.126) 16.106 8.778 ( -9.485 0.000 -9.803) 13.641 9.053 ( 2.428 0.000 -0.933) 2.602 9.104 ( -2.698 0.000 -2.805) 3.892 9.179 ( 9.365 0.000 -0.989) 9.417 9.344 ( -6.961 0.000 -0.869) 7.015 9.560 ( 2.700 0.000 -2.214) 3.492 9.628 ( -3.852 0.000 -0.492) 3.883 9.680 ( 7.616 0.000 8.738) 11.591 9.833 ( -7.637 0.000 7.029) 10.380 10.077 ( 3.548 0.000 -0.967) 3.677 10.162 ( -4.915 0.000 -0.174) 4.918 10.793 ( 3.456 0.000 -7.936) 8.656 10.833 ( -0.723 0.000 -11.490) 11.513 10.834 ( 10.236 0.000 -12.978) 16.528 10.977 ( -3.934 0.000 -8.127) 9.029 11.318 ( 7.988 0.000 -1.886) 8.208 11.516 ( -11.755 0.000 -2.967) 12.124 11.656 ( 7.387 0.000 -11.032) 13.277 11.762 ( -3.361 0.000 -11.236) 11.728 12.330 ( 3.330 0.000 -3.622) 4.920 12.358 ( 0.618 0.000 -4.594) 4.635 12.501 ( 13.949 0.000 10.261) 17.317 12.629 ( 7.181 0.000 5.914) 9.303 12.692 ( -6.937 0.000 6.852) 9.750 12.800 ( 3.618 0.000 13.949) 14.411 12.885 ( -4.633 0.000 11.193) 12.114 12.891 ( -15.667 0.000 16.495) 22.750 13.906 ( 0.915 0.000 2.785) 2.932 13.926 ( -0.977 0.000 1.974) 2.202 14.085 ( 4.191 0.000 2.022) 4.654 14.121 ( 1.290 0.000 -3.053) 3.314 14.647 ( 2.818 0.000 1.961) 3.433 14.653 ( 3.603 0.000 -9.842) 10.481 14.706 ( -3.083 0.000 1.560) 3.455 14.784 ( -10.153 0.000 -5.530) 11.562 15.412 ( 4.006 0.000 -7.735) 8.711 15.494 ( -3.935 0.000 -6.626) 7.707 16.470 ( 11.681 0.000 -9.498) 15.055 16.648 ( -6.355 0.000 -1.815) 6.609 16.784 ( 3.056 0.000 -1.605) 3.452 16.844 ( -2.837 0.000 -2.317) 3.663 17.571 ( 4.156 0.000 4.245) 5.940 17.722 ( -12.192 0.000 13.137) 17.922 17.937 ( 4.286 0.000 -6.607) 7.876 18.039 ( -5.456 0.000 -4.860) 7.307 24.240 ( 4.111 0.000 3.131) 5.167 24.310 ( -2.748 0.000 2.395) 3.645 24.400 ( 1.754 0.000 1.848) 2.547 24.444 ( -2.653 0.000 3.584) 4.459 25.158 ( 3.865 0.000 3.613) 5.291 25.236 ( -3.825 0.000 3.709) 5.328 25.722 ( 3.041 0.000 1.640) 3.455 25.789 ( -3.574 0.000 1.910) 4.053 26.712 ( 4.647 0.000 -2.979) 5.520 26.801 ( -4.141 0.000 -2.661) 4.922 27.147 ( 28.802 0.000 -43.787) 52.411 27.561 ( -14.922 0.000 -31.751) 35.082 28.588 ( 0.232 0.000 10.386) 10.389 28.602 ( -1.009 0.000 6.915) 6.988 29.360 ( 14.541 0.000 31.041) 34.278 29.762 ( -28.077 0.000 43.691) 51.935 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 30.706 37.014) 48.093 1.646 ( 0.000 38.958 38.392) 54.696 2.582 ( 0.000 47.861 72.830) 87.148 3.423 ( 0.000 27.622 10.535) 29.563 4.526 ( 0.000 6.934 20.425) 21.570 4.781 ( 0.000 -7.551 -16.504) 18.149 5.237 ( 0.000 -2.189 -1.972) 2.947 5.443 ( 0.000 19.168 -5.831) 20.035 5.765 ( 0.000 -0.329 0.755) 0.823 5.827 ( 0.000 13.688 1.773) 13.802 6.366 ( 0.000 -4.195 -2.801) 5.044 6.525 ( 0.000 -1.347 3.199) 3.471 6.601 ( 0.000 7.412 21.537) 22.776 7.064 ( 0.000 -18.849 -3.766) 19.222 7.146 ( 0.000 1.114 -3.768) 3.929 7.261 ( 0.000 14.158 -10.520) 17.638 7.872 ( 0.000 1.574 -16.540) 16.614 7.967 ( 0.000 -10.315 -6.444) 12.163 8.001 ( 0.000 -9.588 -3.959) 10.373 8.176 ( 0.000 7.401 -12.745) 14.738 8.387 ( 0.000 -3.353 -1.869) 3.839 8.404 ( 0.000 2.248 -4.322) 4.872 8.556 ( 0.000 -9.049 3.362) 9.653 8.783 ( 0.000 12.534 0.311) 12.538 8.860 ( 0.000 -4.777 -2.363) 5.329 9.260 ( 0.000 5.512 -7.350) 9.188 9.274 ( 0.000 -8.344 5.651) 10.078 9.308 ( 0.000 2.384 -4.285) 4.904 9.312 ( 0.000 -5.166 1.932) 5.515 9.776 ( 0.000 7.034 3.302) 7.771 9.820 ( 0.000 13.763 3.267) 14.145 9.880 ( 0.000 -8.859 -10.490) 13.730 10.080 ( 0.000 2.745 -3.107) 4.146 10.276 ( 0.000 -0.329 -5.056) 5.067 10.516 ( 0.000 8.523 5.417) 10.098 10.698 ( 0.000 2.847 -2.425) 3.740 10.805 ( 0.000 -2.100 -13.672) 13.832 11.102 ( 0.000 -0.928 -10.593) 10.634 11.156 ( 0.000 -2.179 -4.995) 5.450 11.325 ( 0.000 0.681 -3.492) 3.558 11.442 ( 0.000 -2.161 -5.138) 5.574 11.829 ( 0.000 -7.987 -8.554) 11.704 12.152 ( 0.000 2.081 10.073) 10.285 12.185 ( 0.000 -9.095 12.220) 15.234 12.291 ( 0.000 -4.698 -1.110) 4.827 12.557 ( 0.000 0.241 1.442) 1.462 12.841 ( 0.000 6.967 13.382) 15.087 12.899 ( 0.000 0.404 3.775) 3.796 12.947 ( 0.000 1.590 5.673) 5.891 13.256 ( 0.000 -9.474 3.211) 10.003 13.555 ( 0.000 1.829 11.962) 12.101 13.841 ( 0.000 -8.078 1.759) 8.267 13.882 ( 0.000 -6.138 1.764) 6.386 14.099 ( 0.000 -0.589 1.785) 1.880 14.539 ( 0.000 -6.138 -7.030) 9.333 14.633 ( 0.000 -1.945 -1.476) 2.441 14.727 ( 0.000 -4.053 1.816) 4.441 15.304 ( 0.000 -0.705 -6.971) 7.006 15.323 ( 0.000 2.113 -4.062) 4.579 15.568 ( 0.000 4.231 -5.773) 7.157 16.204 ( 0.000 13.892 -20.812) 25.023 16.749 ( 0.000 2.625 -4.250) 4.995 16.754 ( 0.000 1.343 -0.909) 1.622 16.929 ( 0.000 1.925 -1.595) 2.500 17.539 ( 0.000 1.773 1.984) 2.661 17.834 ( 0.000 -1.285 -14.651) 14.708 18.132 ( 0.000 -3.156 -3.153) 4.461 18.143 ( 0.000 -28.754 25.463) 38.407 24.148 ( 0.000 1.145 3.491) 3.674 24.319 ( 0.000 -0.370 1.315) 1.366 24.357 ( 0.000 1.068 2.342) 2.575 24.499 ( 0.000 -0.256 4.875) 4.881 25.060 ( 0.000 -1.231 3.511) 3.720 25.259 ( 0.000 -4.201 2.773) 5.034 25.483 ( 0.000 -8.134 0.420) 8.145 25.760 ( 0.000 -9.503 1.795) 9.671 26.690 ( 0.000 55.039 -47.988) 73.022 26.758 ( 0.000 14.192 -4.498) 14.888 27.032 ( 0.000 12.216 -2.922) 12.560 27.888 ( 0.000 5.194 -19.877) 20.545 28.587 ( 0.000 -1.460 15.069) 15.139 28.624 ( 0.000 -0.116 4.247) 4.248 29.056 ( 0.000 -3.164 16.404) 16.707 30.548 ( 0.000 -48.759 39.295) 62.622 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 23.582 25.686 31.016) 46.668 1.908 ( 24.316 30.985 34.499) 52.360 2.955 ( 34.627 41.336 60.808) 81.273 3.273 ( -14.895 25.631 12.772) 32.278 3.982 ( -36.567 7.425 10.310) 38.711 4.909 ( -3.242 -1.907 6.858) 7.821 5.287 ( 6.625 0.146 -8.047) 10.424 5.598 ( 1.060 13.014 -9.972) 16.430 5.766 ( 3.319 11.275 5.387) 12.929 5.880 ( 4.928 7.301 -1.513) 8.938 6.149 ( -15.928 9.118 14.146) 23.172 6.431 ( 0.803 -1.173 -7.082) 7.223 6.675 ( 4.630 -9.619 6.656) 12.580 7.158 ( 6.459 -6.835 -0.970) 9.454 7.182 ( 4.367 -10.121 -2.892) 11.396 7.327 ( 3.095 5.681 -12.338) 13.931 7.843 ( -4.375 -6.448 -2.391) 8.151 7.870 ( -5.040 -0.443 -13.095) 14.039 8.008 ( -10.360 2.176 -2.905) 10.978 8.087 ( -6.877 2.451 -8.265) 11.027 8.324 ( 4.074 -3.047 -6.151) 7.982 8.400 ( -0.489 -2.612 -2.321) 3.528 8.680 ( 6.144 -7.711 -1.901) 10.041 8.743 ( 2.153 9.007 -2.851) 9.690 8.935 ( -0.717 -5.696 -2.894) 6.429 9.142 ( -1.750 0.653 0.960) 2.101 9.216 ( -2.912 5.656 -9.710) 11.609 9.355 ( 3.270 -3.857 4.051) 6.479 9.502 ( 7.570 -2.721 1.078) 8.116 9.664 ( -4.875 3.452 4.669) 7.581 9.714 ( -7.686 5.808 1.405) 9.735 9.891 ( -1.255 -3.820 -5.728) 6.998 10.110 ( 2.918 5.773 -2.002) 6.771 10.291 ( -1.603 2.318 -3.576) 4.553 10.604 ( 5.554 4.674 -5.277) 8.975 10.757 ( 4.758 0.860 -4.905) 6.887 10.829 ( 2.746 0.004 -11.655) 11.974 10.991 ( -4.847 -2.190 -7.441) 9.146 11.210 ( 4.985 -0.456 -4.677) 6.850 11.447 ( 9.148 -1.950 -8.612) 12.714 11.644 ( 10.476 -4.554 -7.818) 13.842 11.733 ( -6.672 -3.643 -6.109) 9.752 12.119 ( -1.479 -7.734 9.977) 12.710 12.202 ( -0.685 -9.565 8.415) 12.758 12.313 ( 5.494 1.061 -0.211) 5.599 12.613 ( 3.470 -0.484 3.740) 5.125 12.795 ( -5.764 2.394 1.479) 6.415 12.852 ( 0.102 5.008 15.691) 16.471 12.972 ( 0.037 4.454 4.969) 6.673 13.184 ( -5.746 -0.854 7.099) 9.172 13.648 ( 6.667 -8.080 5.491) 11.827 13.873 ( -0.240 -5.951 2.967) 6.654 13.907 ( 5.346 -7.283 1.224) 9.117 14.107 ( 0.626 -1.278 2.520) 2.894 14.530 ( -0.549 -5.582 -6.277) 8.418 14.648 ( 1.236 -2.962 -1.407) 3.504 14.699 ( -2.468 -2.948 1.843) 4.263 15.120 ( -15.377 5.654 -2.015) 16.507 15.339 ( 3.009 -0.536 -6.511) 7.193 15.575 ( -1.148 2.630 -5.481) 6.187 16.307 ( 8.863 8.491 -18.053) 21.831 16.699 ( -2.605 0.446 -0.134) 2.646 16.800 ( 1.760 2.548 -6.480) 7.182 16.905 ( -2.244 1.319 -2.076) 3.330 17.551 ( 1.236 2.021 2.201) 3.234 17.847 ( 1.441 -1.244 -12.364) 12.510 17.943 ( -14.133 -13.054 22.755) 29.798 18.099 ( -3.348 -2.935 -3.425) 5.617 24.178 ( 2.958 1.122 3.475) 4.699 24.351 ( 0.403 -0.240 1.054) 1.154 24.357 ( 1.320 0.357 2.160) 2.556 24.479 ( -1.893 -0.632 4.665) 5.074 25.077 ( 1.872 -1.402 3.537) 4.240 25.244 ( -1.753 -4.178 3.455) 5.698 25.544 ( 4.594 -9.795 0.668) 10.839 25.747 ( -1.530 -9.212 2.015) 9.553 26.781 ( 2.303 13.547 -4.472) 14.451 26.884 ( 10.633 28.556 -33.686) 45.423 27.064 ( 7.992 20.577 -17.899) 28.419 27.836 ( -5.376 5.931 -22.284) 23.678 28.580 ( -0.446 -1.237 13.399) 13.464 28.618 ( -0.737 -0.152 4.942) 4.999 29.116 ( 6.074 -3.759 20.170) 21.397 30.160 ( -30.054 -27.995 45.440) 61.251 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 31.509 20.935 22.415) 43.972 2.504 ( 34.482 19.937 25.945) 47.536 2.839 ( -26.883 21.900 16.148) 38.250 3.237 ( -38.339 12.692 16.483) 43.620 3.805 ( 46.920 27.105 43.715) 69.622 4.626 ( -30.565 6.975 26.236) 40.880 5.313 ( -1.362 14.861 -5.677) 15.966 5.395 ( -10.950 20.800 -2.635) 23.653 5.792 ( 4.979 2.121 2.495) 5.959 5.884 ( -3.367 3.382 0.525) 4.801 6.291 ( 14.089 2.573 -12.561) 19.050 6.438 ( -1.945 -0.316 -10.712) 10.891 6.836 ( 13.134 -14.233 4.340) 19.847 7.123 ( -11.460 -19.587 -6.385) 23.574 7.356 ( 11.517 -8.453 2.072) 14.435 7.420 ( 8.964 6.196 -7.525) 13.243 7.645 ( -14.470 -3.196 -0.851) 14.843 7.692 ( -14.436 5.868 -2.056) 15.718 7.849 ( 1.214 0.100 -3.176) 3.401 7.937 ( -6.940 3.368 -6.451) 10.056 8.457 ( 9.291 -0.695 -6.453) 11.334 8.519 ( 5.979 0.647 -2.720) 6.600 8.718 ( -0.776 -0.307 -7.462) 7.508 8.736 ( -4.824 3.816 -8.427) 10.433 8.923 ( 3.200 -9.787 -2.568) 10.612 9.048 ( -8.681 -2.606 -7.182) 11.564 9.260 ( 6.641 5.147 -2.065) 8.652 9.373 ( -2.401 0.842 0.067) 2.545 9.567 ( -1.642 4.309 1.985) 5.021 9.590 ( -1.348 -3.137 6.704) 7.523 9.701 ( 6.351 -0.221 1.337) 6.494 9.828 ( -5.229 -1.292 -0.764) 5.440 10.169 ( 2.864 8.026 0.393) 8.531 10.229 ( -3.518 6.323 0.069) 7.236 10.712 ( 5.805 -2.623 -10.839) 12.572 10.797 ( -1.649 -2.458 -9.947) 10.378 10.893 ( 3.111 1.068 -9.259) 9.826 10.939 ( -1.673 -3.191 -8.775) 9.486 11.338 ( 7.949 0.556 -3.490) 8.700 11.519 ( -10.165 -0.974 -3.356) 10.749 11.627 ( 7.882 -2.161 -10.122) 13.010 11.741 ( -3.140 -2.072 -10.261) 10.929 12.157 ( 3.885 -12.020 5.005) 13.588 12.200 ( -0.431 -11.128 3.427) 11.652 12.458 ( 8.247 -2.480 5.449) 10.191 12.599 ( -5.563 -6.226 7.868) 11.472 12.760 ( 3.737 8.144 2.001) 9.181 12.848 ( -2.596 3.953 10.324) 11.355 12.969 ( 1.726 9.059 8.012) 12.216 13.059 ( -6.422 6.519 9.653) 13.301 13.763 ( 4.980 -10.799 1.279) 11.961 13.842 ( -2.891 -8.192 1.463) 8.810 14.030 ( 5.813 -4.736 3.498) 8.275 14.105 ( -1.581 -2.832 3.946) 5.108 14.538 ( 1.956 -4.648 -4.199) 6.562 14.610 ( -4.575 -4.807 -0.677) 6.670 14.714 ( 4.121 0.546 -0.338) 4.170 14.850 ( -10.518 3.699 -0.823) 11.180 15.418 ( 4.845 0.529 -6.225) 7.906 15.514 ( -4.519 1.644 -5.878) 7.595 16.491 ( 8.915 2.538 -9.998) 13.633 16.631 ( -5.033 0.021 -1.966) 5.404 16.823 ( 1.094 1.782 -7.860) 8.133 16.856 ( -2.304 0.794 -5.015) 5.576 17.597 ( 3.870 2.199 4.371) 6.238 17.714 ( -8.300 -0.596 10.587) 13.466 17.912 ( 4.434 -2.021 -6.598) 8.203 18.011 ( -5.204 -2.465 -4.424) 7.261 24.252 ( 4.181 1.162 3.224) 5.406 24.323 ( -2.675 1.221 2.413) 3.804 24.393 ( 1.794 -0.501 2.083) 2.794 24.434 ( -2.427 -0.781 3.626) 4.432 25.129 ( 3.179 -2.286 3.633) 5.341 25.193 ( -3.179 -3.381 3.711) 5.942 25.629 ( 4.020 -8.782 1.479) 9.771 25.700 ( -3.109 -8.433 1.959) 9.199 26.841 ( 3.548 12.266 -4.381) 13.499 26.908 ( -2.833 11.825 -5.880) 13.507 27.386 ( 17.663 17.138 -37.763) 45.074 27.672 ( -11.420 8.969 -29.086) 32.509 28.579 ( 0.471 -0.798 10.392) 10.433 28.597 ( -1.195 -0.366 7.124) 7.233 29.298 ( 12.749 -5.723 28.812) 32.022 29.632 ( -21.961 -11.225 39.678) 46.718 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.000 41.583 22.973) 47.507 2.441 ( 0.000 38.943 33.140) 51.135 3.852 ( 0.000 66.955 40.007) 77.997 4.134 ( 0.000 36.410 7.870) 37.250 4.688 ( 0.000 -1.795 -11.092) 11.236 4.745 ( 0.000 13.405 17.205) 21.811 5.154 ( 0.000 -2.138 5.048) 5.482 5.479 ( 0.000 -22.563 0.081) 22.563 5.816 ( 0.000 10.022 16.598) 19.389 5.939 ( 0.000 -24.211 -9.620) 26.052 6.439 ( 0.000 10.677 -11.642) 15.797 6.456 ( 0.000 15.949 4.108) 16.470 6.806 ( 0.000 6.950 -0.275) 6.956 7.007 ( 0.000 10.852 2.912) 11.236 7.084 ( 0.000 -6.448 -8.843) 10.944 7.567 ( 0.000 5.829 -12.574) 13.860 7.727 ( 0.000 -6.127 -7.957) 10.043 7.833 ( 0.000 0.362 13.221) 13.226 7.939 ( 0.000 3.656 -15.018) 15.457 8.111 ( 0.000 -9.755 3.715) 10.438 8.347 ( 0.000 -8.709 2.153) 8.971 8.458 ( 0.000 5.442 -8.981) 10.501 8.575 ( 0.000 10.251 -9.533) 13.999 8.736 ( 0.000 -5.472 1.208) 5.604 8.910 ( 0.000 -14.591 1.072) 14.631 9.059 ( 0.000 3.521 6.083) 7.029 9.206 ( 0.000 -3.095 6.027) 6.775 9.211 ( 0.000 -4.369 6.034) 7.449 9.437 ( 0.000 4.423 -11.178) 12.022 9.755 ( 0.000 -3.686 -16.725) 17.127 9.861 ( 0.000 3.099 -5.891) 6.656 10.030 ( 0.000 3.596 -0.673) 3.658 10.244 ( 0.000 -3.366 -8.432) 9.079 10.328 ( 0.000 18.442 -4.038) 18.879 10.625 ( 0.000 1.248 5.704) 5.839 10.726 ( 0.000 0.124 -1.597) 1.602 10.736 ( 0.000 -3.914 -7.912) 8.828 11.061 ( 0.000 -3.938 -16.031) 16.508 11.175 ( 0.000 4.872 -4.773) 6.821 11.375 ( 0.000 -3.556 -2.327) 4.250 11.379 ( 0.000 3.535 -3.281) 4.823 11.637 ( 0.000 -9.910 -6.956) 12.108 11.945 ( 0.000 -12.235 17.720) 21.533 12.026 ( 0.000 -10.879 12.379) 16.480 12.365 ( 0.000 8.376 -4.456) 9.488 12.540 ( 0.000 0.729 -4.204) 4.266 12.909 ( 0.000 0.823 -2.128) 2.282 12.957 ( 0.000 2.997 10.201) 10.632 13.092 ( 0.000 8.020 10.719) 13.387 13.174 ( 0.000 -0.116 -3.810) 3.811 13.589 ( 0.000 -0.932 7.279) 7.338 13.594 ( 0.000 -14.729 0.366) 14.733 13.732 ( 0.000 -4.928 10.787) 11.859 14.002 ( 0.000 -6.414 5.447) 8.415 14.438 ( 0.000 -3.620 -2.670) 4.498 14.464 ( 0.000 -12.205 4.059) 12.862 14.642 ( 0.000 -2.211 4.205) 4.751 15.287 ( 0.000 -1.390 -3.926) 4.165 15.392 ( 0.000 4.590 -3.024) 5.497 15.653 ( 0.000 3.125 -3.686) 4.833 16.477 ( 0.000 11.748 -23.768) 26.513 16.772 ( 0.000 0.265 -9.810) 9.813 16.784 ( 0.000 0.472 -9.789) 9.801 16.963 ( 0.000 0.776 -1.856) 2.012 17.589 ( 0.000 2.933 3.294) 4.411 17.793 ( 0.000 -7.636 15.414) 17.202 17.801 ( 0.000 -1.687 -10.612) 10.746 18.041 ( 0.000 -5.436 -2.164) 5.851 24.181 ( 0.000 1.936 3.380) 3.896 24.309 ( 0.000 -0.589 1.778) 1.873 24.396 ( 0.000 2.503 2.432) 3.490 24.497 ( 0.000 0.206 4.422) 4.426 25.028 ( 0.000 -1.558 2.836) 3.236 25.165 ( 0.000 -4.280 2.848) 5.141 25.296 ( 0.000 -8.917 1.548) 9.050 25.519 ( 0.000 -12.420 2.961) 12.768 27.121 ( 0.000 19.029 -6.171) 20.005 27.336 ( 0.000 15.630 -4.451) 16.251 27.466 ( 0.000 21.957 -38.972) 44.732 28.009 ( 0.000 5.397 -18.853) 19.610 28.550 ( 0.000 -1.673 14.135) 14.233 28.630 ( 0.000 0.955 7.419) 7.480 28.966 ( 0.000 -5.162 13.510) 14.463 29.743 ( 0.000 -29.425 38.016) 48.073 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 14.865 37.222 21.432) 45.450 2.613 ( 16.841 36.402 30.097) 50.145 3.868 ( -23.365 27.469 10.812) 37.648 4.074 ( 16.894 55.442 33.110) 66.750 4.247 ( -23.204 22.767 8.715) 33.656 5.030 ( 7.459 13.858 12.009) 19.797 5.164 ( 4.919 -9.268 -0.570) 10.508 5.460 ( -2.229 -22.464 1.326) 22.613 5.928 ( 4.389 -15.768 -3.405) 16.718 6.059 ( 14.573 1.131 5.607) 15.655 6.410 ( -4.242 14.928 -5.940) 16.617 6.471 ( -0.618 14.656 0.782) 14.690 6.682 ( -7.363 14.853 -6.350) 17.752 6.953 ( -9.546 -7.295 -9.116) 15.081 7.055 ( 3.530 -0.680 5.625) 6.676 7.517 ( -4.879 3.190 -0.301) 5.837 7.710 ( -1.203 1.950 -7.645) 7.981 7.901 ( 3.377 -8.453 -3.798) 9.863 7.970 ( 0.444 4.398 -7.757) 8.928 8.069 ( -4.882 -1.550 0.802) 5.184 8.317 ( 0.657 -4.013 -1.604) 4.371 8.445 ( 1.169 6.214 -3.359) 7.160 8.589 ( 1.585 1.970 -6.200) 6.696 8.682 ( -1.959 -10.094 -0.227) 10.285 8.957 ( -3.479 -2.619 -2.475) 5.009 9.067 ( -0.710 -6.048 3.023) 6.799 9.151 ( 5.955 -1.604 3.688) 7.186 9.391 ( 7.609 -4.666 5.973) 10.740 9.412 ( -0.592 3.672 -6.335) 7.346 9.711 ( -7.858 2.495 -3.327) 8.891 9.782 ( 0.882 -1.710 -15.839) 15.956 9.921 ( -9.044 4.282 -0.703) 10.031 10.300 ( 1.750 7.508 -5.235) 9.319 10.368 ( 4.702 8.577 -5.726) 11.334 10.670 ( 0.933 -1.282 0.100) 1.588 10.753 ( 4.517 -0.243 -4.877) 6.652 10.823 ( 5.326 -0.520 -7.151) 8.931 10.984 ( -8.552 2.453 -9.301) 12.871 11.177 ( 4.240 -1.936 -6.686) 8.150 11.390 ( 6.214 -4.467 -6.110) 9.792 11.551 ( 7.168 -3.758 -4.206) 9.121 11.600 ( -2.589 -8.051 -4.638) 9.646 11.904 ( -2.720 -11.809 12.820) 17.641 12.007 ( -1.520 -9.580 11.383) 14.955 12.395 ( 2.718 6.615 -2.931) 7.729 12.553 ( 0.000 -1.017 -0.747) 1.262 12.886 ( -1.096 3.530 -4.416) 5.759 12.945 ( -0.483 3.347 13.167) 13.594 13.116 ( 1.020 7.489 5.625) 9.422 13.163 ( -0.957 -0.638 0.899) 1.460 13.515 ( -1.409 -7.621 4.284) 8.855 13.660 ( -0.695 -12.722 -0.798) 12.766 13.792 ( 7.073 -2.263 13.233) 15.174 14.010 ( 0.522 -6.220 7.103) 9.456 14.431 ( -0.210 -5.355 -2.029) 5.731 14.476 ( 0.544 -10.841 2.675) 11.180 14.656 ( 1.956 0.346 3.908) 4.383 15.254 ( -11.699 6.834 -2.558) 13.788 15.329 ( 3.144 -0.774 -3.350) 4.659 15.631 ( -2.704 2.076 -3.955) 5.222 16.503 ( 2.715 9.535 -19.677) 22.033 16.722 ( -2.782 1.298 -7.134) 7.767 16.817 ( 1.108 -0.649 -12.880) 12.944 16.927 ( -3.216 0.436 -2.901) 4.353 17.605 ( 1.545 2.983 3.217) 4.652 17.762 ( -2.419 -4.384 12.260) 13.243 17.815 ( 1.331 -1.715 -9.189) 9.442 18.014 ( -2.646 -4.985 -2.447) 6.152 24.211 ( 2.950 1.938 3.397) 4.898 24.335 ( 2.146 -0.689 1.669) 2.805 24.393 ( -0.324 2.366 2.498) 3.456 24.473 ( -2.315 0.093 4.277) 4.864 25.043 ( 1.436 -1.658 2.945) 3.672 25.154 ( -1.173 -3.970 3.359) 5.331 25.330 ( 3.309 -9.873 1.387) 10.505 25.511 ( -0.903 -12.153 2.882) 12.523 27.134 ( 1.434 18.764 -6.172) 19.805 27.298 ( -2.904 16.996 -6.880) 18.564 27.546 ( 6.915 17.568 -34.221) 39.083 27.970 ( -3.951 5.784 -20.147) 21.330 28.551 ( 0.273 -1.103 12.949) 12.998 28.623 ( -0.814 1.015 7.177) 7.294 29.007 ( 4.291 -6.329 16.800) 18.459 29.609 ( -11.932 -23.332 36.452) 44.895 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 26.118 28.515 17.816) 42.576 3.054 ( 26.134 31.086 23.220) 46.781 3.330 ( -28.679 23.157 13.417) 39.227 3.639 ( -30.591 25.282 13.703) 41.985 4.612 ( 27.018 47.054 30.024) 62.012 4.997 ( -9.818 26.571 18.504) 33.835 5.295 ( 5.223 -14.694 0.649) 15.609 5.395 ( -4.640 -18.726 3.131) 19.544 6.000 ( 3.904 -4.104 -7.191) 9.154 6.136 ( -10.608 7.832 -0.143) 13.186 6.411 ( 11.035 12.785 -3.819) 17.315 6.485 ( 2.478 1.656 4.109) 5.076 6.641 ( -0.525 13.480 -11.032) 17.427 6.731 ( -10.618 -8.457 -13.390) 19.067 7.195 ( 9.830 -4.675 7.464) 13.198 7.389 ( -8.417 -8.650 5.814) 13.396 7.704 ( 1.837 8.852 -6.351) 11.049 7.823 ( -9.180 4.874 -2.691) 10.736 7.952 ( 0.131 -0.419 -5.144) 5.162 7.981 ( -2.916 6.412 -5.685) 9.052 8.457 ( 10.365 -1.888 -4.029) 11.279 8.535 ( 4.722 2.567 0.699) 5.420 8.616 ( 0.742 -3.603 -4.633) 5.915 8.657 ( -1.459 -10.290 -0.387) 10.400 8.858 ( -3.118 -0.927 -5.718) 6.579 8.949 ( -9.575 -6.087 -4.927) 12.370 9.293 ( 6.859 -2.056 0.845) 7.210 9.393 ( -2.682 -1.722 -0.385) 3.210 9.545 ( 8.646 1.506 5.585) 10.403 9.679 ( 2.290 -0.165 -7.388) 7.737 9.720 ( -7.249 6.702 -0.385) 9.880 9.771 ( -4.483 -3.701 -8.000) 9.889 10.356 ( 3.749 9.417 -1.053) 10.191 10.414 ( -0.855 10.172 -1.097) 10.267 10.694 ( 2.847 -1.251 -7.750) 8.350 10.791 ( -5.254 4.433 -6.286) 9.315 10.858 ( 1.525 -4.317 -10.329) 11.298 10.885 ( 0.173 -1.122 -10.370) 10.432 11.297 ( 7.117 -4.251 -4.974) 9.667 11.443 ( -6.784 -5.751 -4.514) 9.974 11.564 ( 6.408 -5.462 -5.559) 10.089 11.650 ( -0.796 -7.168 -6.247) 9.542 11.906 ( 3.082 -11.771 9.759) 15.598 11.970 ( -2.550 -10.587 9.449) 14.418 12.456 ( 3.208 3.046 -0.860) 4.506 12.518 ( -3.023 -0.339 0.772) 3.139 12.899 ( 2.065 4.583 -0.340) 5.038 12.936 ( -0.999 3.428 7.019) 7.875 13.120 ( 0.202 5.772 3.613) 6.812 13.140 ( -1.441 2.319 6.917) 7.436 13.536 ( 3.079 -10.334 1.746) 10.924 13.609 ( -3.692 -12.516 0.322) 13.053 13.932 ( 5.892 -4.165 12.035) 14.032 14.004 ( -1.574 -5.724 10.195) 11.798 14.440 ( 1.181 -7.021 -1.374) 7.250 14.469 ( -1.296 -9.490 0.739) 9.607 14.751 ( 8.363 5.860 2.341) 10.477 14.980 ( -14.194 9.116 -0.144) 16.870 15.425 ( 5.970 -0.418 -3.671) 7.021 15.544 ( -5.763 0.700 -3.953) 7.023 16.578 ( 4.529 5.293 -12.125) 13.983 16.662 ( -3.692 2.491 -7.308) 8.558 16.831 ( 0.787 -0.808 -12.559) 12.609 16.864 ( -2.681 -0.200 -7.658) 8.116 17.648 ( 2.750 2.444 3.586) 5.138 17.707 ( -3.076 0.107 6.294) 7.006 17.864 ( 3.604 -2.472 -5.613) 7.113 17.944 ( -4.190 -3.803 -3.402) 6.602 24.286 ( 4.338 1.977 3.328) 5.814 24.357 ( -1.727 1.682 2.247) 3.296 24.388 ( 0.931 0.300 2.693) 2.865 24.421 ( -2.354 -0.267 3.418) 4.158 25.079 ( 2.097 -2.198 3.245) 4.445 25.121 ( -2.047 -3.133 3.531) 5.146 25.408 ( 4.160 -11.008 1.876) 11.917 25.477 ( -2.681 -11.604 2.534) 12.177 27.176 ( 2.730 18.153 -6.196) 19.374 27.236 ( -3.277 17.577 -6.534) 19.036 27.703 ( 8.481 11.595 -29.141) 32.490 27.860 ( -7.098 7.541 -23.893) 26.040 28.566 ( 1.274 -0.073 10.505) 10.582 28.597 ( -1.718 0.746 8.108) 8.322 29.137 ( 8.932 -9.230 23.589) 26.859 29.353 ( -12.783 -14.467 30.945) 36.472 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 0.000 44.074 15.100) 46.589 3.296 ( 0.000 42.650 19.760) 47.006 4.661 ( 0.000 0.833 -4.334) 4.414 4.665 ( 0.000 6.965 7.465) 10.209 4.842 ( 0.000 -35.552 5.827) 36.026 4.955 ( 0.000 -4.043 1.744) 4.403 5.240 ( 0.000 60.168 28.213) 66.454 5.260 ( 0.000 -14.863 10.314) 18.091 5.431 ( 0.000 25.937 4.581) 26.339 5.899 ( 0.000 -3.111 21.771) 21.992 6.496 ( 0.000 -11.104 -11.888) 16.268 6.789 ( 0.000 -0.820 -14.888) 14.910 6.837 ( 0.000 9.832 -2.498) 10.145 7.134 ( 0.000 10.650 -6.247) 12.347 7.250 ( 0.000 -5.222 5.350) 7.476 7.300 ( 0.000 -7.400 -0.896) 7.454 7.802 ( 0.000 -0.557 -9.811) 9.826 7.868 ( 0.000 -4.911 14.435) 15.247 7.937 ( 0.000 -1.997 -4.466) 4.892 8.012 ( 0.000 5.131 -12.395) 13.415 8.366 ( 0.000 8.998 -0.672) 9.023 8.387 ( 0.000 -11.345 8.246) 14.025 8.558 ( 0.000 -4.178 4.198) 5.923 8.720 ( 0.000 2.773 -7.336) 7.843 8.838 ( 0.000 8.572 -9.930) 13.118 9.053 ( 0.000 -4.837 -2.865) 5.621 9.186 ( 0.000 1.144 5.217) 5.341 9.223 ( 0.000 2.803 8.155) 8.623 9.496 ( 0.000 2.031 -9.175) 9.397 9.683 ( 0.000 -4.219 -11.815) 12.545 9.956 ( 0.000 6.883 -3.764) 7.845 10.055 ( 0.000 0.462 -8.600) 8.613 10.126 ( 0.000 -6.891 -13.829) 15.451 10.526 ( 0.000 -10.727 -3.633) 11.326 10.620 ( 0.000 4.694 -6.693) 8.174 10.695 ( 0.000 -0.775 -0.985) 1.253 10.791 ( 0.000 9.869 -4.345) 10.783 10.983 ( 0.000 -2.296 -16.512) 16.671 11.235 ( 0.000 0.084 -4.832) 4.833 11.382 ( 0.000 4.578 4.342) 6.310 11.397 ( 0.000 -4.714 -3.515) 5.880 11.459 ( 0.000 -4.250 -0.263) 4.258 11.733 ( 0.000 -7.264 11.082) 13.251 11.787 ( 0.000 -10.963 10.210) 14.981 12.561 ( 0.000 10.307 -3.715) 10.956 12.613 ( 0.000 6.068 -5.892) 8.457 12.898 ( 0.000 -3.243 -13.777) 14.153 13.008 ( 0.000 3.760 13.520) 14.033 13.090 ( 0.000 -9.334 4.533) 10.377 13.238 ( 0.000 0.337 3.184) 3.202 13.340 ( 0.000 -3.665 2.431) 4.398 13.503 ( 0.000 -4.276 3.564) 5.566 13.732 ( 0.000 2.854 18.903) 19.118 13.909 ( 0.000 -1.024 5.868) 5.957 14.193 ( 0.000 -12.284 8.605) 14.998 14.298 ( 0.000 -9.587 3.331) 10.149 14.745 ( 0.000 11.242 1.631) 11.360 15.212 ( 0.000 -6.448 -2.309) 6.848 15.506 ( 0.000 5.939 -2.582) 6.476 15.679 ( 0.000 -0.846 -2.592) 2.727 16.693 ( 0.000 8.998 -17.397) 19.586 16.769 ( 0.000 -0.376 -14.601) 14.605 16.778 ( 0.000 -0.697 -13.719) 13.737 16.946 ( 0.000 -2.607 -5.522) 6.106 17.660 ( 0.000 3.782 1.865) 4.217 17.730 ( 0.000 0.278 6.774) 6.780 17.765 ( 0.000 -1.800 -5.720) 5.996 17.915 ( 0.000 -6.311 -0.520) 6.332 24.224 ( 0.000 2.115 3.131) 3.778 24.293 ( 0.000 -1.011 2.338) 2.547 24.454 ( 0.000 2.800 2.478) 3.739 24.505 ( 0.000 0.352 3.528) 3.545 25.006 ( 0.000 -0.234 2.180) 2.193 25.096 ( 0.000 -2.248 2.159) 3.116 25.138 ( 0.000 -5.450 3.428) 6.438 25.281 ( 0.000 -9.712 4.098) 10.541 27.497 ( 0.000 15.819 -8.693) 18.050 27.645 ( 0.000 13.514 -7.057) 15.246 27.728 ( 0.000 5.187 -23.646) 24.208 28.052 ( 0.000 -2.615 -14.648) 14.880 28.551 ( 0.000 2.569 12.059) 12.329 28.669 ( 0.000 2.202 13.974) 14.146 28.864 ( 0.000 -3.260 8.899) 9.477 29.250 ( 0.000 -18.888 26.079) 32.200 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 7.560 41.058 14.809) 44.297 3.427 ( 12.892 41.090 18.516) 46.876 4.278 ( -23.577 14.316 6.933) 28.441 4.661 ( -14.865 18.038 4.119) 23.734 4.826 ( -1.046 -34.441 5.731) 34.930 4.920 ( -2.523 -9.374 4.283) 10.610 5.244 ( 3.211 -36.176 2.147) 36.382 5.369 ( 11.702 53.982 24.066) 60.251 5.538 ( 8.620 27.628 8.187) 30.077 5.947 ( 0.197 -9.713 18.243) 20.668 6.578 ( 7.391 -6.706 -13.148) 16.507 6.770 ( -1.699 6.688 -15.417) 16.891 6.854 ( 1.343 11.937 -3.675) 12.562 7.039 ( -1.010 2.156 0.593) 2.454 7.220 ( -4.321 12.738 4.741) 14.262 7.381 ( 0.238 -11.613 0.266) 11.619 7.765 ( -3.774 -3.353 -2.170) 5.495 7.787 ( -0.151 -2.940 -0.079) 2.945 8.046 ( 3.474 3.942 -0.033) 5.255 8.086 ( 5.970 3.502 -7.970) 10.555 8.252 ( -4.253 -0.833 1.075) 4.465 8.402 ( -1.141 -7.453 1.501) 7.688 8.548 ( -0.638 -1.690 2.192) 2.840 8.671 ( -3.151 4.305 -3.157) 6.200 8.907 ( 3.308 3.222 -9.086) 10.192 8.994 ( -5.142 -3.073 -2.772) 6.600 9.137 ( -0.489 -0.558 2.874) 2.968 9.299 ( 2.126 -4.518 6.334) 8.065 9.509 ( 3.308 5.013 -6.417) 8.790 9.712 ( 0.185 -3.673 -11.582) 12.152 9.786 ( -7.673 3.886 -7.956) 11.716 9.955 ( -7.869 -0.888 -7.297) 10.769 10.332 ( 12.665 0.036 -9.242) 15.678 10.588 ( 3.438 2.090 -6.400) 7.560 10.627 ( 0.539 -2.088 -3.393) 4.020 10.742 ( 1.499 4.196 -7.392) 8.631 10.807 ( 4.429 -0.665 -3.980) 5.991 10.984 ( 0.718 -3.139 -13.955) 14.321 11.221 ( -6.135 4.350 -0.340) 7.528 11.297 ( 0.962 -2.186 -1.992) 3.110 11.437 ( -0.523 -4.524 -2.289) 5.097 11.476 ( 1.206 -4.687 1.771) 5.154 11.682 ( -2.869 -8.781 8.074) 12.269 11.794 ( -0.803 -10.255 10.945) 15.020 12.569 ( 0.790 9.700 -4.959) 10.923 12.616 ( -0.022 6.847 -4.208) 8.037 12.907 ( 0.917 -2.742 -10.342) 10.738 12.991 ( -1.069 0.737 6.261) 6.394 13.115 ( 2.179 -4.419 7.205) 8.728 13.242 ( 0.226 1.834 5.742) 6.032 13.334 ( -0.251 -4.846 2.210) 5.332 13.471 ( -3.089 -5.029 3.035) 6.637 13.782 ( 4.504 1.470 17.324) 17.960 13.922 ( 0.868 -0.674 8.054) 8.128 14.198 ( 0.493 -12.581 7.237) 14.523 14.284 ( -1.358 -10.117 3.271) 10.719 14.799 ( 5.566 11.972 1.400) 13.277 15.255 ( 4.228 -5.922 -2.221) 7.608 15.418 ( -8.512 7.530 -1.865) 11.516 15.638 ( -4.195 -1.693 -2.579) 5.207 16.688 ( -0.340 7.884 -15.430) 17.331 16.744 ( -1.475 0.772 -12.718) 12.826 16.790 ( 0.440 -1.497 -15.108) 15.189 16.911 ( -3.132 -2.181 -6.234) 7.309 17.673 ( 1.172 3.499 1.609) 4.025 17.729 ( -0.019 0.649 5.470) 5.509 17.777 ( 1.130 -1.916 -5.198) 5.654 17.900 ( -1.536 -5.711 -0.926) 5.986 24.254 ( 2.904 2.082 3.147) 4.761 24.320 ( 2.451 -0.928 2.348) 3.519 24.446 ( -0.885 2.374 2.520) 3.573 24.482 ( -2.352 0.501 3.499) 4.245 25.020 ( 1.291 -0.231 2.326) 2.671 25.096 ( -0.386 -1.235 3.214) 3.465 25.154 ( 1.869 -6.652 2.476) 7.340 25.278 ( -0.451 -9.560 3.882) 10.328 27.508 ( 1.070 15.771 -8.677) 18.032 27.625 ( -1.744 14.010 -7.906) 16.181 27.762 ( 3.239 4.135 -22.091) 22.707 28.021 ( -3.016 -1.995 -15.419) 15.838 28.564 ( 1.246 2.947 11.682) 12.112 28.672 ( -0.151 3.464 12.715) 13.179 28.871 ( 1.183 -5.770 11.743) 13.137 29.190 ( -5.645 -17.043 25.123) 30.879 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 16.551 33.268 13.603) 39.569 3.767 ( 14.578 35.746 15.950) 41.769 3.816 ( -15.938 24.919 10.299) 31.322 4.240 ( -24.507 31.193 10.766) 41.104 4.817 ( 0.490 -30.706 5.172) 31.142 4.855 ( -3.231 -23.116 4.465) 23.764 5.404 ( 11.090 -33.887 0.185) 35.655 5.568 ( -0.404 -1.104 4.481) 4.632 5.681 ( 9.792 39.091 19.541) 44.787 5.860 ( -7.136 10.422 14.635) 19.332 6.707 ( 3.805 0.761 -13.072) 13.635 6.740 ( -1.082 8.431 -13.030) 15.558 6.923 ( 6.841 17.633 0.105) 18.914 7.089 ( -1.685 17.364 -1.941) 17.553 7.123 ( -1.049 1.436 6.954) 7.178 7.246 ( -8.782 -2.346 2.064) 9.322 7.784 ( 6.469 -1.011 -1.607) 6.742 7.868 ( 5.576 -3.834 -2.194) 7.113 7.978 ( -7.799 4.298 1.649) 9.056 8.033 ( -7.376 -1.228 -0.898) 7.532 8.367 ( 7.856 -4.994 -3.472) 9.935 8.410 ( 1.721 -7.294 -0.470) 7.509 8.554 ( 2.150 -2.739 -0.195) 3.488 8.620 ( -2.568 -0.405 -2.016) 3.290 8.884 ( -4.282 2.154 -3.276) 5.806 8.889 ( -3.716 5.631 -4.667) 8.203 9.195 ( 5.057 -7.026 0.007) 8.657 9.282 ( -3.168 -7.873 2.519) 8.853 9.612 ( 5.741 3.528 -5.745) 8.855 9.693 ( 1.685 0.954 -9.647) 9.839 9.711 ( -3.309 -0.675 -9.825) 10.390 9.801 ( -7.264 0.520 -5.667) 9.228 10.533 ( 6.297 6.080 -5.842) 10.524 10.599 ( -1.729 5.783 -3.410) 6.933 10.695 ( 7.067 3.447 -6.673) 10.313 10.762 ( 1.398 -3.475 -11.292) 11.897 10.852 ( -0.437 -2.221 -11.449) 11.670 10.946 ( -8.429 7.941 -2.457) 11.838 11.186 ( 7.004 -7.496 -2.891) 10.658 11.321 ( -3.494 -5.552 -3.546) 7.457 11.418 ( 1.893 -3.892 0.852) 4.411 11.474 ( -1.844 -7.337 0.205) 7.568 11.672 ( 2.144 -10.472 6.863) 12.703 11.743 ( -4.016 -11.233 9.442) 15.214 12.588 ( 1.062 9.094 -5.136) 10.498 12.607 ( -0.795 8.388 -3.997) 9.326 12.934 ( 1.786 -2.018 -3.978) 4.805 12.969 ( -1.493 -1.460 -1.110) 2.365 13.171 ( 3.421 0.999 7.371) 8.187 13.229 ( -1.917 3.612 7.995) 8.980 13.346 ( 1.697 -6.914 2.071) 7.415 13.400 ( -3.630 -6.086 2.644) 7.563 13.873 ( 3.999 -0.309 15.166) 15.687 13.924 ( -1.075 -0.476 12.273) 12.329 14.216 ( 1.420 -12.465 4.515) 13.334 14.250 ( -1.926 -11.331 3.289) 11.955 14.962 ( 10.759 12.514 0.603) 16.514 15.198 ( -12.423 10.780 -0.781) 16.466 15.374 ( 7.066 -4.881 -1.845) 8.784 15.521 ( -7.292 -3.322 -2.219) 8.315 16.691 ( 0.830 5.208 -12.464) 13.534 16.716 ( -1.421 2.425 -12.045) 12.369 16.802 ( 1.186 -1.690 -13.428) 13.586 16.845 ( -3.100 -1.720 -9.192) 9.852 17.700 ( 1.428 2.666 1.558) 3.402 17.723 ( -0.760 1.525 2.912) 3.374 17.810 ( 2.253 -2.650 -3.595) 5.002 17.859 ( -2.485 -4.210 -1.989) 5.278 24.328 ( 4.315 1.894 3.183) 5.686 24.373 ( 2.507 -0.063 2.387) 3.462 24.413 ( -3.093 1.490 3.059) 4.598 24.424 ( -2.535 0.486 2.938) 3.911 25.050 ( 1.610 -0.233 2.797) 3.236 25.079 ( -1.250 -0.491 3.385) 3.641 25.206 ( 3.005 -7.981 2.529) 8.895 25.256 ( -1.903 -9.006 3.282) 9.772 27.539 ( 2.046 15.512 -8.532) 17.821 27.584 ( -2.364 14.894 -8.291) 17.210 27.844 ( 4.870 1.886 -19.926) 20.599 27.942 ( -4.817 -0.355 -17.461) 18.117 28.600 ( 2.345 3.827 10.942) 11.827 28.648 ( -2.226 4.584 10.750) 11.897 28.931 ( 5.077 -10.005 17.718) 20.972 29.057 ( -7.213 -13.444 22.244) 26.973 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( 0.000 -41.827 9.970) 42.999 4.010 ( 0.000 41.827 9.970) 42.999 4.196 ( 0.000 -42.150 8.022) 42.907 4.196 ( 0.000 42.150 8.022) 42.907 4.705 ( 0.000 -2.704 1.897) 3.303 4.705 ( 0.000 2.704 1.897) 3.303 5.541 ( 0.000 -19.501 15.982) 25.213 5.541 ( 0.000 19.501 15.982) 25.213 6.077 ( 0.000 -27.918 -0.109) 27.918 6.077 ( 0.000 27.918 -0.109) 27.918 6.483 ( 0.000 -47.196 19.473) 51.055 6.483 ( 0.000 47.196 19.473) 51.055 6.847 ( 0.000 -6.826 -8.726) 11.079 6.847 ( 0.000 6.826 -8.726) 11.079 7.349 ( 0.000 -5.021 -10.439) 11.584 7.349 ( 0.000 5.021 -10.439) 11.584 7.771 ( 0.000 -0.352 4.068) 4.084 7.771 ( 0.000 0.352 4.068) 4.084 8.054 ( 0.000 -5.937 -8.709) 10.540 8.054 ( 0.000 5.937 -8.709) 10.540 8.281 ( 0.000 -3.894 0.096) 3.895 8.281 ( 0.000 3.894 0.096) 3.895 8.732 ( 0.000 -6.942 3.906) 7.966 8.732 ( 0.000 6.942 3.906) 7.966 8.955 ( 0.000 -4.065 -6.142) 7.366 8.955 ( 0.000 4.065 -6.142) 7.366 9.225 ( 0.000 -1.901 4.314) 4.714 9.225 ( 0.000 1.901 4.314) 4.714 9.568 ( 0.000 -5.474 -9.884) 11.298 9.568 ( 0.000 5.474 -9.884) 11.298 10.029 ( 0.000 -1.836 -11.239) 11.388 10.029 ( 0.000 1.836 -11.239) 11.388 10.234 ( 0.000 -14.999 -6.819) 16.477 10.234 ( 0.000 14.999 -6.819) 16.477 10.659 ( 0.000 -1.920 -4.186) 4.605 10.659 ( 0.000 1.920 -4.186) 4.605 10.959 ( 0.000 -2.832 -13.250) 13.549 10.959 ( 0.000 2.832 -13.250) 13.549 11.275 ( 0.000 -4.325 -5.371) 6.896 11.275 ( 0.000 4.325 -5.371) 6.896 11.435 ( 0.000 -0.345 11.302) 11.307 11.435 ( 0.000 0.345 11.302) 11.307 11.651 ( 0.000 -0.160 6.116) 6.118 11.651 ( 0.000 0.160 6.116) 6.118 12.764 ( 0.000 -5.270 -8.347) 9.871 12.764 ( 0.000 5.270 -8.347) 9.871 12.817 ( 0.000 -11.014 -2.044) 11.202 12.817 ( 0.000 11.014 -2.044) 11.202 13.133 ( 0.000 -7.339 4.835) 8.789 13.133 ( 0.000 7.339 4.835) 8.789 13.408 ( 0.000 -5.310 9.195) 10.618 13.408 ( 0.000 5.310 9.195) 10.618 13.852 ( 0.000 -7.571 9.270) 11.969 13.852 ( 0.000 7.571 9.270) 11.969 14.105 ( 0.000 -6.461 8.811) 10.926 14.105 ( 0.000 6.461 8.811) 10.926 15.011 ( 0.000 -12.334 -0.741) 12.356 15.011 ( 0.000 12.334 -0.741) 12.356 15.620 ( 0.000 -4.496 -2.345) 5.071 15.620 ( 0.000 4.496 -2.345) 5.071 16.765 ( 0.000 -0.156 -15.314) 15.315 16.765 ( 0.000 0.156 -15.314) 15.315 16.854 ( 0.000 -6.082 -11.037) 12.602 16.854 ( 0.000 6.082 -11.037) 12.602 17.725 ( 0.000 -2.167 -1.696) 2.752 17.725 ( 0.000 2.167 -1.696) 2.752 17.790 ( 0.000 -5.224 2.422) 5.758 17.790 ( 0.000 5.224 2.422) 5.758 24.265 ( 0.000 -1.679 2.784) 3.251 24.265 ( 0.000 1.679 2.784) 3.251 24.499 ( 0.000 -1.240 2.718) 2.987 24.499 ( 0.000 1.240 2.718) 2.987 25.030 ( 0.000 -2.704 1.785) 3.240 25.030 ( 0.000 2.704 1.785) 3.240 25.134 ( 0.000 -4.044 4.577) 6.108 25.134 ( 0.000 4.044 4.577) 6.108 27.725 ( 0.000 -5.365 -14.756) 15.701 27.725 ( 0.000 5.365 -14.756) 15.701 27.901 ( 0.000 -10.794 -9.240) 14.209 27.901 ( 0.000 10.794 -9.240) 14.209 28.640 ( 0.000 -4.647 12.869) 13.682 28.640 ( 0.000 4.647 12.869) 13.682 28.939 ( 0.000 -10.533 14.909) 18.255 28.939 ( 0.000 10.533 14.909) 18.255 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( 2.410 -40.085 9.836) 41.345 4.030 ( 2.410 40.085 9.836) 41.345 4.292 ( 8.910 -38.799 7.919) 40.589 4.292 ( 8.910 38.799 7.919) 40.589 4.589 ( -9.968 -10.334 4.229) 14.968 4.589 ( -9.968 10.334 4.229) 14.968 5.329 ( -17.247 -24.610 10.339) 31.780 5.329 ( -17.247 24.610 10.339) 31.780 6.248 ( 12.367 -24.123 2.725) 27.245 6.248 ( 12.367 24.123 2.725) 27.245 6.506 ( 1.602 -40.548 15.852) 43.566 6.506 ( 1.602 40.548 15.852) 43.566 6.935 ( 8.671 -1.518 -7.011) 11.254 6.935 ( 8.671 1.518 -7.011) 11.254 7.332 ( -2.147 -1.199 -6.679) 7.118 7.332 ( -2.147 1.199 -6.679) 7.118 7.720 ( -1.936 -1.675 0.198) 2.568 7.720 ( -1.936 1.675 0.198) 2.568 8.144 ( 4.907 -0.834 -4.985) 7.045 8.144 ( 4.907 0.834 -4.985) 7.045 8.260 ( -1.545 -5.661 0.869) 5.933 8.260 ( -1.545 5.661 0.869) 5.933 8.655 ( -6.481 -7.877 2.064) 10.407 8.655 ( -6.481 7.877 2.064) 10.407 8.957 ( 0.717 -1.042 -5.279) 5.429 8.957 ( 0.717 1.042 -5.279) 5.429 9.183 ( -3.657 -5.276 2.265) 6.807 9.183 ( -3.657 5.276 2.265) 6.807 9.615 ( 3.557 -5.071 -8.768) 10.735 9.615 ( 3.557 5.071 -8.768) 10.735 9.890 ( -8.446 -5.035 -9.976) 14.007 9.890 ( -8.446 5.035 -9.976) 14.007 10.416 ( 12.054 -8.687 -8.515) 17.125 10.416 ( 12.054 8.687 -8.515) 17.125 10.700 ( 4.308 -4.614 -3.393) 7.167 10.700 ( 4.308 4.614 -3.393) 7.167 10.914 ( -3.706 -4.885 -12.941) 14.320 10.914 ( -3.706 4.885 -12.941) 14.320 11.264 ( -2.215 -1.324 -3.292) 4.182 11.264 ( -2.215 1.324 -3.292) 4.182 11.427 ( -0.006 -1.456 8.271) 8.398 11.427 ( -0.006 1.456 8.271) 8.398 11.615 ( -3.477 -4.982 6.257) 8.721 11.615 ( -3.477 4.982 6.257) 8.721 12.772 ( 0.960 -8.352 -7.518) 11.278 12.772 ( 0.960 8.352 -7.518) 11.278 12.823 ( 0.375 -11.465 -3.496) 11.992 12.823 ( 0.375 11.465 -3.496) 11.992 13.160 ( 2.627 -6.279 5.746) 8.907 13.160 ( 2.627 6.279 5.746) 8.907 13.379 ( -2.701 -4.704 8.834) 10.367 13.379 ( -2.701 4.704 8.834) 10.367 13.887 ( 3.211 -7.203 9.058) 12.010 13.887 ( 3.211 7.203 9.058) 12.010 14.086 ( -1.911 -6.336 8.724) 10.950 14.086 ( -1.911 6.336 8.724) 10.950 15.065 ( 5.368 -11.885 -0.626) 13.056 15.065 ( 5.368 11.885 -0.626) 13.056 15.560 ( -5.993 -5.620 -1.979) 8.450 15.560 ( -5.993 5.620 -1.979) 8.450 16.759 ( -0.403 -0.877 -14.510) 14.542 16.759 ( -0.403 0.877 -14.510) 14.542 16.833 ( -1.958 -5.243 -11.067) 12.401 16.833 ( -1.958 5.243 -11.067) 12.401 17.734 ( 0.890 -2.191 -1.619) 2.866 17.734 ( 0.890 2.191 -1.619) 2.866 17.787 ( -0.338 -4.682 1.688) 4.989 17.787 ( -0.338 4.682 1.688) 4.989 24.293 ( 2.741 -1.607 2.798) 4.234 24.293 ( 2.741 1.607 2.798) 4.234 24.481 ( -1.795 -0.828 2.781) 3.412 24.481 ( -1.795 0.828 2.781) 3.412 25.046 ( 1.535 -2.924 1.997) 3.859 25.046 ( 1.535 2.924 1.997) 3.859 25.131 ( -0.357 -4.204 4.299) 6.023 25.131 ( -0.357 4.204 4.299) 6.023 27.741 ( 1.606 -5.963 -14.364) 15.635 27.741 ( 1.606 5.963 -14.364) 15.635 27.884 ( -1.690 -10.318 -9.914) 14.409 27.884 ( -1.690 10.318 -9.914) 14.409 28.661 ( 2.149 -5.172 13.206) 14.345 28.661 ( 2.149 5.172 13.206) 14.345 28.902 ( -3.568 -9.846 14.873) 18.190 28.902 ( -3.568 9.846 14.873) 18.190 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( 7.346 -34.069 9.440) 36.107 4.123 ( 7.346 34.069 9.440) 36.107 4.309 ( -10.506 -21.750 8.171) 25.499 4.309 ( -10.506 21.750 8.171) 25.499 4.599 ( 15.317 -36.517 6.642) 40.152 4.599 ( 15.317 36.517 6.642) 40.152 4.957 ( -19.643 -33.456 7.057) 39.433 4.957 ( -19.643 33.456 7.057) 39.433 6.446 ( 6.853 -23.124 3.910) 24.433 6.446 ( 6.853 23.124 3.910) 24.433 6.519 ( -0.982 -27.799 8.562) 29.104 6.519 ( -0.982 27.799 8.562) 29.104 7.129 ( 9.236 -3.609 -4.382) 10.841 7.129 ( 9.236 3.609 -4.382) 10.841 7.264 ( -4.750 -1.809 -3.070) 5.938 7.264 ( -4.750 1.809 -3.070) 5.938 7.776 ( 8.472 -3.269 0.175) 9.082 7.776 ( 8.472 3.269 0.175) 9.082 8.017 ( -13.501 -2.087 1.021) 13.700 8.017 ( -13.501 2.087 1.021) 13.700 8.368 ( 8.872 -4.337 -1.306) 9.961 8.368 ( 8.872 4.337 -1.306) 9.961 8.526 ( -6.904 -4.941 0.104) 8.490 8.526 ( -6.904 4.941 0.104) 8.490 9.001 ( 3.859 -4.880 -3.769) 7.274 9.001 ( 3.859 4.880 -3.769) 7.274 9.095 ( -5.097 -6.731 -0.712) 8.473 9.095 ( -5.097 6.731 -0.712) 8.473 9.680 ( 3.210 -1.930 -8.865) 9.624 9.680 ( 3.210 1.930 -8.865) 9.624 9.757 ( -5.063 -3.648 -9.471) 11.342 9.757 ( -5.063 3.648 -9.471) 11.342 10.612 ( 7.819 -3.581 -10.172) 13.320 10.612 ( 7.819 3.581 -10.172) 13.320 10.739 ( -4.307 -4.729 -8.606) 10.723 10.739 ( -4.307 4.729 -8.606) 10.723 10.939 ( 9.617 -10.970 -4.440) 15.249 10.939 ( 9.617 10.970 -4.440) 15.249 11.150 ( -9.396 -9.413 -0.728) 13.320 11.150 ( -9.396 9.413 -0.728) 13.320 11.459 ( 3.026 -4.574 4.516) 7.104 11.459 ( 3.026 4.574 4.516) 7.104 11.533 ( -4.320 -5.917 5.372) 9.084 11.533 ( -4.320 5.917 5.372) 9.084 12.799 ( 1.504 -9.831 -6.423) 11.840 12.799 ( 1.504 9.831 -6.423) 11.840 12.821 ( -0.673 -10.752 -5.247) 11.983 12.821 ( -0.673 10.752 -5.247) 11.983 13.229 ( 4.118 -4.335 7.134) 9.308 13.229 ( 4.118 4.335 7.134) 9.308 13.311 ( -4.049 -3.719 8.062) 9.758 13.311 ( -4.049 3.719 8.062) 9.758 13.961 ( 3.995 -6.501 8.714) 11.582 13.961 ( 3.995 6.501 8.714) 11.582 14.034 ( -3.299 -6.199 8.614) 11.114 14.034 ( -3.299 6.199 8.614) 11.114 15.211 ( 9.142 -10.396 -0.644) 13.859 15.211 ( 9.142 10.396 -0.644) 13.859 15.401 ( -9.580 -8.021 -1.191) 12.551 15.401 ( -9.580 8.021 -1.191) 12.551 16.760 ( 0.746 -1.602 -12.861) 12.981 16.760 ( 0.746 1.602 -12.861) 12.981 16.790 ( -2.116 -3.281 -11.569) 12.210 16.790 ( -2.116 3.281 -11.569) 12.210 17.756 ( 1.168 -2.563 -1.080) 3.016 17.756 ( 1.168 2.563 -1.080) 3.016 17.776 ( -0.845 -3.535 0.169) 3.639 17.776 ( -0.845 3.535 0.169) 3.639 24.360 ( 3.772 -1.119 2.837) 4.851 24.360 ( 3.772 1.119 2.837) 4.851 24.431 ( -3.216 -0.176 2.851) 4.302 24.431 ( -3.216 0.176 2.851) 4.302 25.083 ( 1.992 -3.583 2.654) 4.884 25.083 ( 1.992 3.583 2.654) 4.884 25.116 ( -1.252 -4.176 3.558) 5.628 25.116 ( -1.252 4.176 3.558) 5.628 27.784 ( 2.674 -7.406 -13.216) 15.384 27.784 ( 2.674 7.406 -13.216) 15.384 27.839 ( -2.724 -9.050 -11.524) 14.904 27.839 ( -2.724 9.050 -11.524) 14.904 28.723 ( 4.073 -6.533 13.960) 15.942 28.723 ( 4.073 6.533 13.960) 15.942 28.814 ( -4.947 -8.266 14.607) 17.497 28.814 ( -4.947 8.266 14.607) 17.497 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 0.000 0.000 47.435) 47.435 2.106 ( 0.000 0.000 48.874) 48.874 3.451 ( 0.000 0.000 19.193) 19.193 4.092 ( 0.000 0.000 91.130) 91.130 4.649 ( 0.000 0.000 -7.723) 7.723 4.934 ( 0.000 0.000 20.500) 20.500 4.961 ( 0.000 0.000 -6.450) 6.450 5.076 ( 0.000 0.000 -6.267) 6.267 5.622 ( 0.000 0.000 -6.637) 6.637 5.825 ( 0.000 0.000 2.262) 2.262 6.237 ( 0.000 0.000 -13.606) 13.606 6.694 ( 0.000 0.000 7.495) 7.495 6.759 ( 0.000 0.000 -17.550) 17.550 6.998 ( 0.000 0.000 -11.555) 11.555 7.147 ( 0.000 0.000 3.873) 3.873 7.419 ( 0.000 0.000 6.505) 6.505 7.480 ( 0.000 0.000 1.823) 1.823 7.524 ( 0.000 0.000 -19.217) 19.217 7.852 ( 0.000 0.000 -12.862) 12.862 8.064 ( 0.000 0.000 3.258) 3.258 8.443 ( 0.000 0.000 3.550) 3.550 8.565 ( 0.000 0.000 5.445) 5.445 8.635 ( 0.000 0.000 2.178) 2.178 8.741 ( 0.000 0.000 3.187) 3.187 8.790 ( 0.000 0.000 -6.161) 6.161 8.909 ( 0.000 0.000 -10.614) 10.614 9.169 ( 0.000 0.000 -9.416) 9.416 9.239 ( 0.000 0.000 -1.886) 1.886 9.433 ( 0.000 0.000 -0.645) 0.645 9.541 ( 0.000 0.000 -8.676) 8.676 9.918 ( 0.000 0.000 -1.976) 1.976 9.985 ( 0.000 0.000 -10.222) 10.222 10.047 ( 0.000 0.000 4.450) 4.450 10.164 ( 0.000 0.000 -15.858) 15.858 10.173 ( 0.000 0.000 -4.522) 4.522 10.605 ( 0.000 0.000 -3.433) 3.433 10.640 ( 0.000 0.000 3.014) 3.014 10.968 ( 0.000 0.000 -4.483) 4.483 11.112 ( 0.000 0.000 -4.548) 4.548 11.217 ( 0.000 0.000 -5.622) 5.622 11.314 ( 0.000 0.000 -7.114) 7.114 11.607 ( 0.000 0.000 -16.507) 16.507 12.257 ( 0.000 0.000 8.435) 8.435 12.308 ( 0.000 0.000 1.742) 1.742 12.349 ( 0.000 0.000 -7.249) 7.249 12.428 ( 0.000 0.000 -6.007) 6.007 13.064 ( 0.000 0.000 15.460) 15.460 13.079 ( 0.000 0.000 8.191) 8.191 13.152 ( 0.000 0.000 7.006) 7.006 13.456 ( 0.000 0.000 -8.562) 8.562 13.838 ( 0.000 0.000 15.640) 15.640 13.949 ( 0.000 0.000 -1.318) 1.318 13.998 ( 0.000 0.000 4.652) 4.652 14.086 ( 0.000 0.000 7.694) 7.694 14.404 ( 0.000 0.000 -8.457) 8.457 14.664 ( 0.000 0.000 5.702) 5.702 14.830 ( 0.000 0.000 4.410) 4.410 15.112 ( 0.000 0.000 -9.405) 9.405 15.185 ( 0.000 0.000 -5.011) 5.011 15.290 ( 0.000 0.000 -13.512) 13.512 15.968 ( 0.000 0.000 -0.424) 0.424 16.684 ( 0.000 0.000 -1.980) 1.980 16.733 ( 0.000 0.000 -8.951) 8.951 16.814 ( 0.000 0.000 -5.550) 5.550 17.492 ( 0.000 0.000 -4.140) 4.140 17.576 ( 0.000 0.000 -5.745) 5.745 18.030 ( 0.000 0.000 -8.005) 8.005 18.764 ( 0.000 0.000 1.463) 1.463 24.229 ( 0.000 0.000 5.039) 5.039 24.356 ( 0.000 0.000 1.812) 1.812 24.395 ( 0.000 0.000 2.800) 2.800 24.619 ( 0.000 0.000 5.533) 5.533 25.173 ( 0.000 0.000 5.137) 5.137 25.364 ( 0.000 0.000 1.836) 1.836 25.602 ( 0.000 0.000 2.718) 2.718 25.705 ( 0.000 0.000 2.968) 2.968 25.957 ( 0.000 0.000 4.699) 4.699 26.490 ( 0.000 0.000 -6.281) 6.281 26.814 ( 0.000 0.000 -4.744) 4.744 27.372 ( 0.000 0.000 -22.421) 22.421 28.770 ( 0.000 0.000 9.859) 9.859 28.912 ( 0.000 0.000 13.810) 13.810 29.520 ( 0.000 0.000 22.145) 22.145 31.258 ( 0.000 0.000 -5.866) 5.866 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 16.118 0.000 43.236) 46.142 2.363 ( 23.827 0.000 42.975) 49.138 3.359 ( -9.815 0.000 21.627) 23.750 4.176 ( -26.421 0.000 15.036) 30.399 4.313 ( 16.920 0.000 83.877) 85.566 4.905 ( -3.121 0.000 -5.019) 5.910 5.061 ( -2.418 0.000 -8.736) 9.064 5.310 ( 20.810 0.000 1.852) 20.892 5.679 ( 4.607 0.000 -6.347) 7.843 5.824 ( -0.172 0.000 0.610) 0.634 6.210 ( -4.661 0.000 -13.428) 14.214 6.500 ( -20.462 0.000 22.903) 30.712 6.836 ( 7.288 0.000 -17.769) 19.206 7.020 ( -3.665 0.000 7.340) 8.204 7.031 ( 3.062 0.000 -13.322) 13.670 7.381 ( 2.276 0.000 -23.823) 23.931 7.511 ( -1.033 0.000 -16.247) 16.280 7.651 ( 6.021 0.000 3.631) 7.032 7.916 ( 4.643 0.000 -1.529) 4.889 7.969 ( -10.071 0.000 6.441) 11.955 8.384 ( -3.379 0.000 -0.563) 3.426 8.397 ( -9.132 0.000 0.936) 9.180 8.534 ( -6.190 0.000 0.576) 6.216 8.867 ( -0.419 0.000 3.039) 3.068 8.928 ( 2.807 0.000 -10.577) 10.943 8.933 ( 9.578 0.000 -4.466) 10.568 9.013 ( -3.693 0.000 -2.772) 4.617 9.371 ( 5.903 0.000 -7.290) 9.380 9.396 ( -4.290 0.000 -4.386) 6.135 9.610 ( 6.697 0.000 -4.390) 8.008 9.755 ( -11.548 0.000 -3.787) 12.153 9.962 ( -2.394 0.000 -8.002) 8.352 10.035 ( -0.057 0.000 2.636) 2.636 10.183 ( -0.326 0.000 -6.216) 6.225 10.309 ( 11.936 0.000 -10.658) 16.002 10.616 ( 1.203 0.000 -3.589) 3.786 10.657 ( 1.214 0.000 1.058) 1.610 10.903 ( -4.191 0.000 -4.951) 6.487 11.141 ( 3.112 0.000 -4.572) 5.531 11.293 ( 6.982 0.000 -8.161) 10.740 11.486 ( 9.572 0.000 -9.617) 13.569 11.542 ( -6.186 0.000 -13.473) 14.825 12.275 ( 1.594 0.000 5.579) 5.802 12.318 ( 0.789 0.000 1.615) 1.797 12.358 ( 3.346 0.000 -6.441) 7.258 12.490 ( 5.554 0.000 -5.571) 7.867 13.012 ( -5.713 0.000 8.264) 10.046 13.070 ( 0.672 0.000 14.720) 14.736 13.146 ( -0.678 0.000 8.319) 8.347 13.351 ( -8.880 0.000 -0.765) 8.913 13.937 ( 7.737 0.000 7.510) 10.783 13.946 ( -0.135 0.000 -0.661) 0.675 13.993 ( -0.646 0.000 3.669) 3.726 14.137 ( 4.058 0.000 7.921) 8.900 14.416 ( 1.553 0.000 -7.453) 7.613 14.681 ( 1.615 0.000 5.706) 5.930 14.814 ( -1.540 0.000 4.668) 4.916 15.000 ( -12.926 0.000 -2.918) 13.251 15.152 ( 2.233 0.000 -9.168) 9.436 15.330 ( 0.481 0.000 -13.188) 13.196 16.047 ( 7.865 0.000 -4.076) 8.858 16.671 ( -6.316 0.000 -10.712) 12.436 16.698 ( 1.344 0.000 -2.351) 2.708 16.803 ( -1.108 0.000 -5.233) 5.349 17.543 ( 5.448 0.000 0.027) 5.448 17.626 ( 4.734 0.000 -6.488) 8.031 17.989 ( -4.064 0.000 -8.204) 9.155 18.492 ( -22.947 0.000 9.253) 24.742 24.259 ( 2.856 0.000 5.067) 5.816 24.376 ( 0.594 0.000 1.373) 1.496 24.408 ( 1.595 0.000 2.911) 3.319 24.596 ( -2.463 0.000 5.027) 5.598 25.192 ( 2.297 0.000 5.224) 5.706 25.392 ( -0.829 0.000 4.823) 4.893 25.722 ( 1.786 0.000 2.999) 3.491 25.872 ( 26.878 0.000 -11.178) 29.109 25.922 ( -3.258 0.000 4.187) 5.305 26.532 ( 3.916 0.000 -5.784) 6.985 26.790 ( -2.480 0.000 -4.754) 5.362 27.270 ( -10.412 0.000 -23.339) 25.556 28.775 ( 0.598 0.000 10.270) 10.287 28.882 ( -2.583 0.000 13.499) 13.744 29.633 ( 11.040 0.000 22.518) 25.078 30.961 ( -26.239 0.000 5.948) 26.905 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 23.019 0.000 35.020) 41.908 2.931 ( 31.967 0.000 33.519) 46.319 3.062 ( -19.856 0.000 27.459) 33.886 3.567 ( -32.379 0.000 24.055) 40.337 4.861 ( 34.036 0.000 71.015) 78.750 4.899 ( 2.623 0.000 -6.198) 6.730 4.983 ( -4.965 0.000 -8.264) 9.641 5.465 ( -16.643 0.000 35.397) 39.115 5.763 ( 3.507 0.000 -5.586) 6.596 5.811 ( -1.407 0.000 -2.939) 3.258 6.009 ( -2.032 0.000 -4.729) 5.147 6.174 ( -11.407 0.000 -11.292) 16.051 7.002 ( 7.967 0.000 -21.062) 22.518 7.082 ( 0.418 0.000 -19.553) 19.557 7.107 ( 10.480 0.000 -3.518) 11.055 7.332 ( -9.382 0.000 -12.274) 15.450 7.524 ( 4.246 0.000 -3.708) 5.637 7.713 ( -13.664 0.000 7.015) 15.360 7.767 ( 8.471 0.000 -3.198) 9.055 7.932 ( -5.381 0.000 1.631) 5.623 8.366 ( 1.379 0.000 -2.147) 2.552 8.367 ( 8.313 0.000 -3.184) 8.902 8.426 ( -4.548 0.000 -0.621) 4.590 8.638 ( -16.023 0.000 -3.253) 16.350 8.997 ( 3.574 0.000 -6.879) 7.752 9.041 ( -0.049 0.000 -0.990) 0.991 9.115 ( 8.877 0.000 -5.128) 10.251 9.277 ( -7.464 0.000 -5.695) 9.389 9.472 ( 5.080 0.000 -5.646) 7.595 9.579 ( -6.347 0.000 -4.158) 7.587 9.760 ( 7.647 0.000 -2.692) 8.107 9.888 ( -5.208 0.000 -4.364) 6.795 10.066 ( 3.235 0.000 -0.113) 3.237 10.141 ( -3.571 0.000 -2.141) 4.163 10.572 ( 13.454 0.000 -11.192) 17.501 10.647 ( 1.656 0.000 -3.603) 3.965 10.669 ( -0.309 0.000 -2.009) 2.032 10.792 ( -8.266 0.000 -8.682) 11.987 11.239 ( 6.739 0.000 -5.503) 8.700 11.392 ( -8.390 0.000 -8.595) 12.011 11.437 ( 6.781 0.000 -9.976) 12.063 11.540 ( -2.959 0.000 -10.138) 10.561 12.308 ( 1.550 0.000 2.100) 2.610 12.326 ( -0.186 0.000 1.150) 1.165 12.500 ( 8.670 0.000 -7.797) 11.660 12.595 ( 1.633 0.000 -7.831) 7.999 12.948 ( 3.149 0.000 10.825) 11.274 13.092 ( 1.494 0.000 13.094) 13.179 13.123 ( -1.549 0.000 10.875) 10.985 13.139 ( -12.286 0.000 6.119) 13.725 13.951 ( 0.790 0.000 0.505) 0.938 13.973 ( -1.238 0.000 1.994) 2.347 14.086 ( 6.743 0.000 2.768) 7.289 14.175 ( -1.535 0.000 4.684) 4.929 14.502 ( 8.117 0.000 -2.468) 8.484 14.723 ( 2.536 0.000 5.594) 6.142 14.725 ( -13.796 0.000 0.130) 13.797 14.774 ( -2.490 0.000 5.203) 5.768 15.216 ( 4.013 0.000 -10.297) 11.052 15.295 ( -3.485 0.000 -11.791) 12.295 16.255 ( 12.417 0.000 -10.130) 16.025 16.495 ( -11.237 0.000 -12.375) 16.716 16.733 ( 2.043 0.000 -3.287) 3.870 16.773 ( -1.898 0.000 -4.383) 4.777 17.713 ( 11.619 0.000 3.836) 12.236 17.747 ( 7.778 0.000 -3.149) 8.392 17.880 ( -6.689 0.000 -9.007) 11.220 18.043 ( -20.399 0.000 12.895) 24.133 24.324 ( 3.154 0.000 4.613) 5.588 24.368 ( -1.291 0.000 2.949) 3.219 24.454 ( 3.094 0.000 2.858) 4.212 24.528 ( -4.086 0.000 4.054) 5.756 25.258 ( 4.042 0.000 5.480) 6.810 25.339 ( -3.880 0.000 5.720) 6.912 25.773 ( 3.286 0.000 3.134) 4.541 25.846 ( -4.063 0.000 3.496) 5.360 26.464 ( 29.669 0.000 -23.282) 37.714 26.625 ( 5.146 0.000 -5.138) 7.272 26.721 ( -4.391 0.000 -4.837) 6.533 26.964 ( -20.773 0.000 -24.952) 32.467 28.794 ( 1.380 0.000 11.316) 11.400 28.831 ( -2.335 0.000 12.557) 12.772 29.937 ( 19.826 0.000 22.720) 30.154 30.405 ( -27.515 0.000 19.060) 33.472 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.000 18.030 44.087) 47.632 2.478 ( 0.000 33.777 41.061) 53.169 3.728 ( 0.000 24.875 17.661) 30.507 4.274 ( 0.000 16.912 73.364) 75.288 4.555 ( 0.000 -0.542 6.067) 6.091 4.954 ( 0.000 2.956 15.298) 15.581 5.214 ( 0.000 9.649 1.488) 9.763 5.258 ( 0.000 19.852 -10.170) 22.305 5.758 ( 0.000 10.874 -3.237) 11.346 5.870 ( 0.000 3.509 1.430) 3.789 6.159 ( 0.000 -6.168 -13.239) 14.606 6.552 ( 0.000 -7.373 -3.011) 7.965 6.942 ( 0.000 7.267 -13.639) 15.454 6.993 ( 0.000 -1.102 -10.594) 10.651 7.113 ( 0.000 -4.533 11.845) 12.683 7.121 ( 0.000 -6.276 6.358) 8.933 7.473 ( 0.000 1.267 -10.163) 10.241 7.684 ( 0.000 -4.061 -18.214) 18.661 7.928 ( 0.000 10.441 -6.092) 12.088 7.989 ( 0.000 -4.018 3.705) 5.465 8.391 ( 0.000 -1.886 1.058) 2.162 8.484 ( 0.000 -5.541 6.956) 8.893 8.630 ( 0.000 -8.304 2.910) 8.799 8.743 ( 0.000 7.912 -3.379) 8.603 8.824 ( 0.000 -3.132 -1.276) 3.382 9.015 ( 0.000 10.738 -11.887) 16.019 9.232 ( 0.000 4.741 -5.206) 7.041 9.274 ( 0.000 2.290 -1.574) 2.779 9.390 ( 0.000 -4.035 -0.507) 4.067 9.651 ( 0.000 -18.918 -11.276) 22.023 9.693 ( 0.000 9.707 -12.190) 15.583 9.858 ( 0.000 -2.327 -1.737) 2.904 10.067 ( 0.000 2.270 3.226) 3.945 10.146 ( 0.000 -2.865 -6.479) 7.084 10.423 ( 0.000 10.360 -14.375) 17.720 10.641 ( 0.000 4.421 -0.851) 4.502 10.655 ( 0.000 0.464 -0.483) 0.670 10.893 ( 0.000 -6.634 -6.462) 9.261 11.069 ( 0.000 -2.718 -4.263) 5.056 11.225 ( 0.000 1.348 -5.500) 5.663 11.309 ( 0.000 -0.836 -6.888) 6.938 11.571 ( 0.000 -3.793 -13.663) 14.180 12.233 ( 0.000 -3.419 -1.997) 3.959 12.313 ( 0.000 0.195 3.757) 3.762 12.334 ( 0.000 -0.173 2.632) 2.638 12.559 ( 0.000 10.209 -5.591) 11.639 13.002 ( 0.000 -4.038 8.634) 9.532 13.043 ( 0.000 -13.864 3.940) 14.413 13.158 ( 0.000 5.043 12.569) 13.542 13.299 ( 0.000 -3.927 1.715) 4.285 13.790 ( 0.000 -4.843 6.094) 7.784 13.939 ( 0.000 -7.253 7.197) 10.218 13.953 ( 0.000 1.208 7.401) 7.499 14.159 ( 0.000 2.051 2.977) 3.615 14.422 ( 0.000 1.605 -3.127) 3.515 14.654 ( 0.000 -0.907 3.147) 3.275 14.779 ( 0.000 -3.694 3.806) 5.304 15.139 ( 0.000 2.150 -7.984) 8.268 15.230 ( 0.000 3.565 -4.057) 5.401 15.346 ( 0.000 5.524 -13.295) 14.397 15.991 ( 0.000 2.625 -3.143) 4.095 16.625 ( 0.000 -7.082 -11.717) 13.691 16.653 ( 0.000 -2.883 -4.676) 5.493 16.867 ( 0.000 1.917 -6.226) 6.515 17.527 ( 0.000 2.971 -3.574) 4.647 17.595 ( 0.000 1.625 -5.025) 5.281 18.005 ( 0.000 -2.309 -7.698) 8.037 18.469 ( 0.000 -21.954 8.948) 23.707 24.240 ( 0.000 0.990 4.883) 4.983 24.356 ( 0.000 -0.015 2.000) 2.000 24.409 ( 0.000 1.312 2.680) 2.984 24.614 ( 0.000 -0.476 5.446) 5.466 25.150 ( 0.000 -1.974 4.661) 5.062 25.312 ( 0.000 -4.404 1.482) 4.646 25.523 ( 0.000 -6.468 4.072) 7.643 25.811 ( 0.000 -6.645 2.906) 7.252 26.190 ( 0.000 32.164 -8.432) 33.251 26.630 ( 0.000 12.403 -7.357) 14.421 26.943 ( 0.000 11.063 -5.401) 12.311 27.452 ( 0.000 6.794 -21.521) 22.568 28.783 ( 0.000 1.366 10.350) 10.440 28.893 ( 0.000 -1.746 13.909) 14.018 29.468 ( 0.000 -4.824 21.473) 22.008 30.927 ( 0.000 -27.475 5.214) 27.966 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 15.140 17.291 40.677) 46.721 2.669 ( 17.951 28.493 37.963) 50.748 3.623 ( -11.013 23.323 20.392) 32.880 4.171 ( -23.802 1.703 10.429) 26.043 4.509 ( 17.355 19.601 78.013) 82.289 5.082 ( -1.761 12.947 4.861) 13.941 5.153 ( 4.422 5.609 -4.587) 8.488 5.404 ( 10.457 9.833 -6.507) 15.760 5.815 ( 4.666 10.562 -4.027) 12.229 5.862 ( -1.012 2.928 0.859) 3.215 6.148 ( -1.923 -4.552 -14.503) 15.321 6.512 ( -9.127 2.688 8.334) 12.648 6.769 ( -12.678 -12.936 9.430) 20.421 6.955 ( -1.794 -1.144 -14.954) 15.104 7.056 ( 8.236 6.339 -9.245) 13.910 7.345 ( 8.235 -7.792 5.910) 12.785 7.451 ( -1.461 4.179 -19.417) 19.916 7.670 ( -0.603 -2.101 -13.274) 13.453 7.915 ( -3.692 -3.574 -2.408) 5.675 8.006 ( -2.143 4.888 1.494) 5.542 8.294 ( -2.084 -2.191 1.919) 3.581 8.403 ( -5.438 -0.856 2.877) 6.211 8.649 ( -3.466 3.762 -2.957) 5.908 8.711 ( 1.810 -5.440 -1.034) 5.826 8.882 ( 0.376 -5.786 -3.384) 6.713 9.000 ( -2.255 5.832 -8.366) 10.445 9.139 ( -1.313 6.949 -0.997) 7.142 9.378 ( 3.205 -1.740 -1.954) 4.137 9.414 ( 1.452 2.262 -9.144) 9.530 9.634 ( -0.567 -4.701 -6.274) 7.860 9.754 ( -2.658 5.415 -7.244) 9.427 9.771 ( 2.599 -10.427 -1.535) 10.855 10.062 ( 1.360 1.963 -1.686) 2.923 10.216 ( 3.099 0.730 -2.774) 4.223 10.417 ( 0.702 7.479 -12.780) 14.825 10.640 ( 0.507 2.083 -1.673) 2.719 10.687 ( 1.610 1.637 -3.792) 4.432 10.845 ( -4.207 -4.892 -5.202) 8.288 11.111 ( 4.635 -2.247 -4.711) 6.981 11.271 ( 5.644 -1.506 -8.237) 10.098 11.457 ( 8.606 -2.323 -9.554) 13.066 11.529 ( -4.331 -1.993 -11.437) 12.391 12.197 ( -2.309 -6.718 -2.694) 7.597 12.242 ( -2.391 -2.763 2.872) 4.648 12.426 ( 5.255 2.303 3.207) 6.573 12.612 ( 4.770 9.274 -6.318) 12.194 12.908 ( -5.615 -8.414 8.910) 13.480 13.074 ( -0.672 -7.718 5.186) 9.323 13.165 ( 1.022 5.417 12.395) 13.566 13.282 ( -1.659 -0.790 3.066) 3.575 13.790 ( 0.590 -7.584 5.135) 9.178 13.929 ( -1.056 -6.039 4.606) 7.668 14.018 ( 5.448 0.891 7.735) 9.503 14.188 ( 2.475 2.135 4.465) 5.533 14.426 ( 0.750 0.844 -2.653) 2.883 14.672 ( 1.474 -1.322 3.539) 4.055 14.748 ( -2.934 -3.446 3.353) 5.633 15.066 ( -10.777 4.688 -2.714) 12.061 15.183 ( 2.225 2.625 -7.402) 8.162 15.377 ( 0.226 4.321 -12.105) 12.855 16.059 ( 6.777 1.663 -6.282) 9.389 16.576 ( -4.829 -6.565 -13.126) 15.450 16.669 ( 1.557 -2.698 -4.019) 5.085 16.839 ( -2.586 1.416 -5.826) 6.529 17.571 ( 4.537 2.307 -0.908) 5.170 17.637 ( 4.154 1.047 -5.367) 6.867 17.966 ( -3.817 -2.081 -7.871) 8.992 18.290 ( -15.626 -15.511 11.385) 24.787 24.270 ( 2.920 1.034 4.955) 5.843 24.379 ( 1.365 0.204 1.736) 2.218 24.415 ( 0.824 0.888 2.900) 3.143 24.587 ( -2.620 -0.645 5.095) 5.766 25.170 ( 2.053 -2.015 4.802) 5.598 25.330 ( -0.031 -4.761 3.985) 6.209 25.572 ( 4.809 -8.825 2.318) 10.315 25.805 ( -1.097 -7.987 3.423) 8.759 26.318 ( 13.075 29.589 -14.588) 35.486 26.656 ( 2.448 11.505 -7.231) 13.808 26.926 ( -1.544 11.634 -5.719) 13.055 27.367 ( -8.567 8.101 -22.150) 25.093 28.785 ( 0.316 1.089 10.719) 10.779 28.867 ( -2.194 -1.323 13.650) 13.889 29.571 ( 10.057 -5.717 21.824) 24.700 30.702 ( -20.394 -22.071 11.819) 32.292 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 23.338 16.948 33.415) 44.141 3.111 ( 25.570 18.490 30.972) 44.215 3.300 ( -20.965 19.741 26.646) 39.233 3.645 ( -27.835 8.951 21.909) 36.536 4.955 ( 19.080 12.205 47.946) 53.027 5.070 ( 0.990 12.976 7.188) 14.867 5.215 ( 8.770 17.554 6.217) 20.584 5.555 ( -4.849 6.463 15.026) 17.060 5.810 ( -2.681 1.034 1.315) 3.160 5.860 ( -2.420 4.453 -3.418) 6.113 6.071 ( -1.396 6.238 -10.839) 12.583 6.192 ( -12.588 7.293 -0.567) 14.559 6.768 ( 6.111 -16.711 -8.403) 19.678 6.888 ( -5.064 -12.750 -13.595) 19.314 7.277 ( 12.563 8.089 -8.462) 17.172 7.404 ( -0.415 2.308 -8.242) 8.569 7.491 ( 3.495 -2.492 -8.794) 9.786 7.652 ( -9.542 -0.698 -6.791) 11.733 7.737 ( 0.309 -1.472 4.164) 4.427 7.896 ( -9.901 -2.387 3.494) 10.767 8.351 ( 9.380 -0.098 -3.374) 9.969 8.458 ( 7.357 5.745 -1.623) 9.474 8.564 ( -6.620 4.306 -7.395) 10.819 8.630 ( -9.591 2.749 -1.913) 10.159 8.861 ( 0.350 -9.256 -5.230) 10.637 8.914 ( -4.672 -6.934 -3.712) 9.148 9.205 ( 5.745 4.432 -3.178) 7.921 9.317 ( -5.341 1.534 -5.505) 7.822 9.511 ( 5.376 2.906 -4.585) 7.640 9.598 ( -3.521 0.052 -4.320) 5.573 9.757 ( 3.837 -0.151 -1.245) 4.037 9.816 ( -0.832 -5.120 -2.893) 5.940 10.131 ( 4.672 4.720 -4.206) 7.861 10.210 ( -2.952 6.088 -2.346) 7.161 10.503 ( 7.677 -2.236 -7.787) 11.162 10.635 ( -2.863 -1.089 -2.549) 3.986 10.706 ( 0.595 -0.201 -7.078) 7.106 10.744 ( -4.740 -3.304 -8.731) 10.469 11.240 ( 7.957 -0.463 -5.449) 9.655 11.390 ( -1.542 -2.250 -8.810) 9.222 11.420 ( 0.613 -0.004 -9.226) 9.247 11.514 ( -2.637 -2.058 -10.911) 11.413 12.195 ( 1.441 -8.778 -1.223) 8.979 12.217 ( -0.781 -6.494 0.660) 6.574 12.543 ( 6.744 0.873 -1.074) 6.884 12.660 ( -3.108 2.232 -5.981) 7.100 12.873 ( 4.733 -3.799 10.385) 12.028 13.005 ( -6.059 -4.867 6.375) 10.052 13.194 ( 1.865 5.634 10.412) 11.984 13.239 ( -2.538 4.119 6.834) 8.373 13.825 ( 2.902 -8.865 3.828) 10.083 13.888 ( -3.025 -7.600 3.614) 8.942 14.135 ( 5.777 3.028 5.560) 8.571 14.212 ( -1.265 2.825 5.481) 6.295 14.481 ( 5.616 -1.929 -0.061) 5.938 14.625 ( -7.259 -5.231 2.785) 9.371 14.743 ( 3.595 1.815 3.096) 5.080 14.858 ( -8.549 4.482 1.983) 9.854 15.254 ( 4.398 3.050 -8.817) 10.314 15.338 ( -3.704 3.649 -10.374) 11.604 16.236 ( 10.531 -1.107 -11.608) 15.713 16.437 ( -9.185 -4.402 -14.024) 17.333 16.713 ( 2.862 -1.890 -3.875) 5.175 16.777 ( -3.471 -0.214 -4.656) 5.811 17.707 ( 9.075 -0.456 1.526) 9.214 17.747 ( 7.052 -0.053 -2.193) 7.385 17.864 ( -6.320 -1.519 -8.456) 10.666 17.970 ( -15.100 -5.794 10.747) 19.419 24.338 ( 3.332 1.293 4.647) 5.863 24.382 ( -1.065 1.297 2.994) 3.432 24.450 ( 2.723 -0.254 2.940) 4.015 24.519 ( -3.979 -0.711 4.151) 5.794 25.226 ( 3.449 -2.651 5.211) 6.788 25.294 ( -3.110 -3.649 5.437) 7.250 25.675 ( 4.996 -8.774 2.751) 10.465 25.759 ( -3.504 -8.019 3.546) 9.443 26.628 ( 13.953 15.391 -18.542) 27.846 26.709 ( 2.092 9.690 -8.116) 12.812 26.914 ( 2.884 15.060 -9.991) 18.302 27.130 ( -14.681 12.747 -22.127) 29.456 28.797 ( 0.944 0.392 11.675) 11.720 28.824 ( -1.861 -0.479 12.815) 12.959 29.845 ( 17.640 -8.389 22.165) 29.544 30.251 ( -23.200 -13.671 19.847) 33.452 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 0.000 30.931 34.397) 46.259 3.208 ( 0.000 33.149 38.037) 50.455 4.379 ( 0.000 34.398 14.467) 37.316 4.498 ( 0.000 5.546 0.185) 5.549 5.014 ( 0.000 41.904 60.970) 73.981 5.029 ( 0.000 1.952 8.617) 8.835 5.384 ( 0.000 8.167 14.658) 16.779 5.466 ( 0.000 -9.016 -1.612) 9.159 5.795 ( 0.000 -16.473 -2.940) 16.733 6.011 ( 0.000 17.476 -0.816) 17.495 6.139 ( 0.000 5.445 -17.763) 18.579 6.510 ( 0.000 10.750 1.812) 10.902 6.787 ( 0.000 -17.581 4.999) 18.278 7.085 ( 0.000 1.530 1.954) 2.482 7.120 ( 0.000 10.408 6.293) 12.163 7.218 ( 0.000 10.184 -21.008) 23.346 7.509 ( 0.000 -9.564 -9.120) 13.216 7.555 ( 0.000 5.430 -17.387) 18.215 8.025 ( 0.000 8.218 4.103) 9.185 8.075 ( 0.000 -0.151 -7.087) 7.089 8.383 ( 0.000 -3.742 -3.900) 5.405 8.398 ( 0.000 0.505 2.792) 2.837 8.443 ( 0.000 -3.731 1.486) 4.016 8.733 ( 0.000 -4.460 -1.022) 4.576 8.878 ( 0.000 -0.171 -4.131) 4.135 9.137 ( 0.000 -13.227 1.109) 13.273 9.223 ( 0.000 8.076 -7.620) 11.103 9.298 ( 0.000 -0.165 1.031) 1.044 9.343 ( 0.000 -7.827 -7.739) 11.007 9.416 ( 0.000 6.229 -1.841) 6.495 9.696 ( 0.000 -2.681 -8.187) 8.615 9.946 ( 0.000 1.803 -8.893) 9.074 10.026 ( 0.000 -9.050 -10.282) 13.697 10.211 ( 0.000 12.571 -5.189) 13.600 10.534 ( 0.000 3.099 -9.870) 10.345 10.636 ( 0.000 -1.934 -5.344) 5.684 10.673 ( 0.000 -7.376 -2.137) 7.680 10.745 ( 0.000 -5.338 -13.562) 14.574 11.099 ( 0.000 6.102 -2.001) 6.421 11.278 ( 0.000 2.582 -6.810) 7.283 11.288 ( 0.000 0.515 -5.830) 5.852 11.467 ( 0.000 -4.622 -7.692) 8.974 12.094 ( 0.000 -9.386 -3.709) 10.093 12.252 ( 0.000 -8.637 9.167) 12.595 12.373 ( 0.000 3.753 1.575) 4.070 12.631 ( 0.000 -6.036 11.352) 12.857 12.886 ( 0.000 5.982 -16.912) 17.939 12.898 ( 0.000 -5.799 5.090) 7.717 13.249 ( 0.000 3.008 12.258) 12.621 13.331 ( 0.000 4.771 5.849) 7.548 13.666 ( 0.000 -5.307 3.073) 6.132 13.698 ( 0.000 -14.882 9.855) 17.849 14.025 ( 0.000 5.030 13.375) 14.290 14.129 ( 0.000 -3.079 5.508) 6.310 14.453 ( 0.000 0.693 4.053) 4.111 14.582 ( 0.000 -6.585 6.650) 9.358 14.717 ( 0.000 -1.390 3.226) 3.513 15.177 ( 0.000 0.704 -6.013) 6.054 15.320 ( 0.000 5.150 -3.241) 6.085 15.498 ( 0.000 7.423 -10.811) 13.114 16.098 ( 0.000 7.969 -10.990) 13.575 16.483 ( 0.000 -5.947 -16.698) 17.725 16.572 ( 0.000 -4.593 -9.435) 10.494 16.863 ( 0.000 -2.444 -8.178) 8.535 17.594 ( 0.000 2.992 -3.054) 4.276 17.634 ( 0.000 1.864 -4.002) 4.415 17.940 ( 0.000 -3.587 -6.478) 7.405 18.066 ( 0.000 -14.601 10.261) 17.846 24.268 ( 0.000 1.585 4.461) 4.734 24.355 ( 0.000 -0.045 2.427) 2.427 24.450 ( 0.000 2.613 2.632) 3.709 24.602 ( 0.000 -0.587 4.922) 4.957 25.101 ( 0.000 -2.450 3.702) 4.440 25.211 ( 0.000 -4.695 1.076) 4.816 25.377 ( 0.000 -6.766 6.499) 9.382 25.610 ( 0.000 -10.651 5.677) 12.070 26.865 ( 0.000 27.817 -18.726) 33.533 26.950 ( 0.000 16.833 -9.524) 19.340 27.212 ( 0.000 13.378 -7.105) 15.148 27.608 ( 0.000 7.134 -19.913) 21.152 28.839 ( 0.000 4.442 11.880) 12.683 28.852 ( 0.000 -1.670 14.476) 14.572 29.329 ( 0.000 -8.263 19.654) 21.320 30.295 ( 0.000 -30.265 16.145) 34.302 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 11.327 28.383 32.660) 44.728 3.327 ( 11.612 31.256 35.909) 49.002 4.163 ( -19.707 20.287 15.771) 32.383 4.347 ( -13.561 20.094 9.532) 26.048 5.141 ( 14.312 35.038 51.550) 63.952 5.159 ( 6.534 -0.164 7.636) 10.052 5.360 ( -0.233 9.477 10.828) 14.391 5.502 ( 3.236 -5.608 5.387) 8.423 5.808 ( 1.639 -13.391 -3.467) 13.929 6.058 ( 2.682 16.398 -9.519) 19.149 6.181 ( 3.799 6.330 -17.931) 19.391 6.512 ( -0.345 8.010 2.367) 8.360 6.628 ( -12.082 -11.645 7.973) 18.578 6.933 ( -10.085 7.308 4.348) 13.192 7.234 ( 6.401 -0.861 7.463) 9.869 7.291 ( 6.708 10.686 -18.255) 22.191 7.522 ( -3.971 0.090 -12.501) 13.117 7.643 ( 7.854 2.137 -9.966) 12.868 7.901 ( -4.652 5.652 -3.189) 7.985 8.049 ( -6.688 -0.714 -2.938) 7.340 8.286 ( -4.746 -2.363 -1.486) 5.507 8.414 ( 1.817 2.635 0.128) 3.203 8.494 ( 3.225 -6.208 -2.918) 7.580 8.694 ( -2.332 -4.466 0.019) 5.038 8.878 ( -2.746 1.329 -4.767) 5.660 9.035 ( -9.201 -5.613 -4.532) 11.692 9.215 ( -0.494 0.409 1.000) 1.188 9.323 ( 4.852 -0.519 -3.055) 5.757 9.405 ( 4.421 -5.711 -14.771) 16.441 9.512 ( 2.550 0.489 -2.735) 3.771 9.640 ( 0.728 -3.428 2.097) 4.084 9.865 ( -6.085 1.326 -6.803) 9.223 10.122 ( 6.016 0.223 -9.480) 11.230 10.264 ( 5.741 7.508 -4.462) 10.451 10.518 ( -2.015 2.787 -10.184) 10.749 10.632 ( -0.082 -4.043 -7.485) 8.507 10.686 ( -0.073 -5.481 -6.204) 8.279 10.760 ( -0.319 -0.744 -9.727) 9.761 11.113 ( 1.615 4.447 -1.153) 4.870 11.242 ( 3.019 -2.030 -7.713) 8.528 11.408 ( 4.824 -2.293 -8.779) 10.276 11.460 ( -0.798 -2.911 -7.267) 7.869 12.027 ( -4.256 -9.480 -2.119) 10.605 12.179 ( -5.132 -5.576 5.183) 9.181 12.429 ( 3.908 -0.558 3.802) 5.481 12.681 ( 1.351 -8.190 8.835) 12.123 12.794 ( -2.226 4.400 -5.660) 7.507 12.955 ( 1.033 -2.089 -3.458) 4.170 13.246 ( 0.277 2.200 9.696) 9.946 13.344 ( 0.386 5.133 7.280) 8.917 13.642 ( -1.005 -6.098 6.487) 8.960 13.707 ( -0.128 -13.107 7.384) 15.044 14.087 ( 5.884 4.666 12.546) 14.622 14.165 ( 3.243 -3.019 6.706) 8.037 14.437 ( -1.190 -0.494 3.235) 3.482 14.580 ( -0.962 -6.825 6.516) 9.485 14.726 ( 1.583 0.840 3.031) 3.521 15.174 ( -5.576 4.798 -4.884) 8.830 15.244 ( -1.009 3.408 -3.924) 5.295 15.489 ( -1.806 5.408 -9.288) 10.898 16.139 ( 4.006 6.400 -12.484) 14.589 16.448 ( -3.327 -5.048 -17.304) 18.330 16.593 ( 2.091 -4.386 -8.153) 9.491 16.828 ( -3.361 -2.660 -7.563) 8.693 17.621 ( 2.772 2.242 -2.318) 4.252 17.663 ( 2.938 1.239 -3.741) 4.915 17.908 ( -3.262 -3.314 -6.339) 7.862 17.995 ( -6.372 -10.940 9.095) 15.589 24.299 ( 3.033 1.600 4.559) 5.705 24.382 ( 2.163 0.055 2.489) 3.298 24.450 ( -0.063 2.367 2.725) 3.610 24.575 ( -2.709 -0.515 4.795) 5.531 25.119 ( 1.760 -2.524 3.861) 4.937 25.227 ( 0.779 -4.498 2.879) 5.397 25.392 ( 2.105 -7.962 5.004) 9.637 25.600 ( -1.262 -10.622 5.422) 11.992 26.918 ( 4.838 24.794 -18.714) 31.438 26.966 ( 1.634 16.911 -9.964) 19.696 27.205 ( -0.333 13.662 -7.984) 15.827 27.550 ( -5.787 8.238 -20.179) 22.551 28.832 ( -0.595 3.394 12.094) 12.576 28.840 ( -0.946 -0.338 14.321) 14.356 29.407 ( 7.670 -9.606 19.996) 23.472 30.171 ( -11.641 -26.428 17.824) 33.936 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 20.787 22.808 27.929) 41.622 3.627 ( 16.631 27.214 28.811) 42.980 3.715 ( -22.729 18.904 23.097) 37.516 4.012 ( -19.386 24.979 21.181) 38.058 5.244 ( 3.713 -0.916 5.806) 6.952 5.320 ( -3.209 1.044 7.362) 8.099 5.483 ( 14.942 17.751 30.344) 38.199 5.602 ( 3.351 5.317 18.300) 19.349 5.880 ( 7.255 2.108 -2.531) 7.968 6.054 ( -4.670 12.852 -13.632) 19.309 6.238 ( 1.514 2.678 -17.001) 17.277 6.338 ( -11.349 0.213 11.115) 15.887 6.581 ( 4.350 6.147 3.466) 8.290 6.725 ( -10.032 10.084 4.572) 14.941 7.332 ( 3.488 -7.162 -0.352) 7.974 7.395 ( -3.993 -2.969 -7.140) 8.703 7.487 ( 11.395 8.406 -11.452) 18.211 7.739 ( -12.688 6.866 -6.563) 15.849 7.782 ( 6.342 6.514 -4.022) 9.942 7.919 ( -7.338 4.717 0.868) 8.767 8.319 ( 9.823 -3.147 -7.996) 13.051 8.496 ( -4.105 -5.161 -6.567) 9.307 8.543 ( 9.509 1.812 -1.573) 9.807 8.673 ( 0.240 -7.236 0.846) 7.290 8.758 ( -8.042 3.603 -4.224) 9.772 8.797 ( -11.901 -5.319 -6.598) 14.610 9.267 ( 4.305 0.129 -3.588) 5.606 9.339 ( -2.304 -0.026 -6.234) 6.646 9.515 ( 3.595 -4.675 -8.976) 10.740 9.525 ( 0.808 -3.475 -5.997) 6.978 9.703 ( 3.412 -3.968 6.246) 8.149 9.772 ( -3.344 -1.380 -1.339) 3.858 10.242 ( 6.722 5.715 -8.853) 12.499 10.353 ( -1.683 6.913 -5.041) 8.720 10.501 ( 4.577 0.790 -8.359) 9.562 10.630 ( -2.116 -3.749 -9.537) 10.463 10.670 ( -1.628 -4.197 -8.685) 9.783 10.678 ( -4.615 4.378 -4.531) 7.810 11.200 ( 6.672 -2.729 -4.191) 8.338 11.316 ( -1.399 -4.969 -7.551) 9.147 11.403 ( 1.405 -1.725 -8.182) 8.479 11.467 ( -1.482 -2.426 -10.415) 10.796 12.009 ( 2.525 -9.143 -0.981) 9.536 12.085 ( -4.449 -6.868 1.371) 8.298 12.506 ( 4.181 -2.734 3.022) 5.839 12.604 ( -5.732 -4.825 2.267) 7.828 12.857 ( 4.962 0.417 0.450) 4.999 12.935 ( -2.748 -2.040 -0.891) 3.536 13.273 ( 2.332 2.651 7.540) 8.326 13.324 ( -2.315 4.184 7.396) 8.807 13.648 ( 1.557 -7.409 7.966) 10.989 13.686 ( -1.810 -10.441 7.733) 13.119 14.210 ( 4.735 2.860 11.609) 12.859 14.230 ( 2.388 -1.645 10.657) 11.044 14.434 ( 2.027 -2.839 1.167) 3.678 14.520 ( -4.950 -5.420 4.213) 8.463 14.801 ( 6.279 4.531 2.539) 8.149 14.973 ( -10.890 7.552 -0.172) 13.253 15.315 ( 5.288 2.103 -6.379) 8.548 15.420 ( -4.902 3.449 -7.626) 9.699 16.242 ( 6.053 2.282 -15.332) 16.641 16.359 ( -5.529 -2.196 -17.219) 18.218 16.653 ( 3.994 -3.822 -6.578) 8.592 16.743 ( -4.870 -3.171 -6.484) 8.707 17.700 ( 5.198 -0.083 -0.783) 5.258 17.742 ( 4.789 -0.458 -2.020) 5.217 17.818 ( -5.528 -2.689 -4.007) 7.338 17.859 ( -6.571 -4.016 3.047) 8.283 24.373 ( 3.907 1.893 4.571) 6.305 24.415 ( 0.312 1.562 3.030) 3.423 24.452 ( 0.905 0.702 3.043) 3.251 24.506 ( -3.893 -0.457 4.195) 5.741 25.164 ( 2.661 -2.871 4.465) 5.938 25.213 ( -2.029 -3.512 4.838) 6.313 25.467 ( 4.893 -9.927 3.761) 11.689 25.554 ( -3.500 -10.488 4.637) 11.990 26.997 ( 2.327 16.665 -11.036) 20.123 27.012 ( 1.667 18.248 -14.011) 23.066 27.240 ( 5.341 14.482 -14.385) 21.100 27.398 ( -9.060 11.498 -19.857) 24.670 28.822 ( -0.275 1.592 13.043) 13.143 28.825 ( -0.517 1.776 13.451) 13.577 29.612 ( 12.879 -13.238 20.557) 27.635 29.894 ( -15.261 -19.134 20.090) 31.664 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 0.000 36.544 25.230) 44.407 3.859 ( 0.000 30.227 32.356) 44.279 4.643 ( 0.000 8.199 3.656) 8.977 4.921 ( 0.000 -1.968 15.552) 15.676 5.008 ( 0.000 -29.815 9.643) 31.336 5.013 ( 0.000 2.314 5.608) 6.067 5.337 ( 0.000 -6.049 2.412) 6.512 5.746 ( 0.000 21.804 17.222) 27.785 5.992 ( 0.000 38.648 33.826) 51.360 6.152 ( 0.000 -1.691 -8.738) 8.900 6.438 ( 0.000 15.533 13.109) 20.326 6.469 ( 0.000 -3.926 -3.604) 5.329 6.794 ( 0.000 7.982 0.645) 8.008 7.064 ( 0.000 -3.760 -2.471) 4.499 7.147 ( 0.000 -5.786 -15.748) 16.777 7.348 ( 0.000 -2.422 -1.097) 2.658 7.594 ( 0.000 17.879 -1.816) 17.971 7.670 ( 0.000 5.545 -17.105) 17.981 7.919 ( 0.000 -10.875 -1.934) 11.046 8.119 ( 0.000 -7.994 7.937) 11.265 8.287 ( 0.000 2.300 -6.819) 7.196 8.496 ( 0.000 -8.438 -1.752) 8.618 8.549 ( 0.000 8.411 -11.480) 14.232 8.592 ( 0.000 -4.084 -1.189) 4.253 8.715 ( 0.000 6.028 3.864) 7.160 8.959 ( 0.000 -6.775 -5.812) 8.927 9.254 ( 0.000 -3.072 0.411) 3.100 9.323 ( 0.000 2.780 -3.710) 4.636 9.336 ( 0.000 2.024 -5.511) 5.871 9.500 ( 0.000 -1.302 2.673) 2.974 9.738 ( 0.000 7.881 -12.063) 14.409 9.800 ( 0.000 -9.255 -16.362) 18.798 9.899 ( 0.000 -4.621 -8.763) 9.907 10.396 ( 0.000 -16.567 -9.412) 19.054 10.443 ( 0.000 6.280 -9.527) 11.410 10.596 ( 0.000 -1.797 -7.715) 7.922 10.629 ( 0.000 2.895 -9.151) 9.598 10.652 ( 0.000 0.140 -13.834) 13.834 11.151 ( 0.000 -0.300 -3.135) 3.150 11.246 ( 0.000 -4.642 -7.904) 9.167 11.446 ( 0.000 12.355 0.237) 12.358 11.476 ( 0.000 4.971 -1.632) 5.232 11.865 ( 0.000 -11.855 -1.619) 11.965 11.979 ( 0.000 -14.176 9.718) 17.187 12.493 ( 0.000 7.715 -3.974) 8.679 12.584 ( 0.000 0.545 2.075) 2.145 12.773 ( 0.000 -4.996 1.546) 5.230 12.981 ( 0.000 -0.865 -8.807) 8.849 13.286 ( 0.000 0.557 12.559) 12.572 13.337 ( 0.000 -9.192 2.665) 9.570 13.518 ( 0.000 4.698 13.645) 14.431 13.609 ( 0.000 -0.296 6.601) 6.608 14.086 ( 0.000 -0.575 9.284) 9.301 14.097 ( 0.000 0.835 15.099) 15.122 14.416 ( 0.000 -7.648 12.052) 14.274 14.422 ( 0.000 -3.860 8.253) 9.111 14.776 ( 0.000 7.692 0.888) 7.743 15.140 ( 0.000 -4.682 -4.404) 6.427 15.442 ( 0.000 6.210 -3.072) 6.929 15.593 ( 0.000 1.189 -5.468) 5.596 16.314 ( 0.000 11.763 -16.793) 20.503 16.396 ( 0.000 -2.063 -19.013) 19.124 16.475 ( 0.000 -4.178 -13.450) 14.084 16.762 ( 0.000 -7.199 -11.360) 13.449 17.644 ( 0.000 1.803 -3.275) 3.738 17.663 ( 0.000 0.858 -3.609) 3.709 17.867 ( 0.000 -5.126 5.482) 7.505 17.867 ( 0.000 -3.126 -3.773) 4.900 24.302 ( 0.000 1.655 3.895) 4.232 24.351 ( 0.000 -0.487 2.893) 2.934 24.511 ( 0.000 2.910 2.651) 3.936 24.588 ( 0.000 -0.843 3.796) 3.889 25.064 ( 0.000 -0.715 3.062) 3.145 25.133 ( 0.000 -2.859 1.629) 3.290 25.265 ( 0.000 -3.302 8.026) 8.679 25.404 ( 0.000 -8.617 7.422) 11.373 27.274 ( 0.000 12.637 -11.701) 17.222 27.289 ( 0.000 12.855 -16.969) 21.288 27.465 ( 0.000 10.519 -9.866) 14.422 27.708 ( 0.000 1.506 -17.920) 17.984 28.850 ( 0.000 2.182 15.471) 15.625 28.987 ( 0.000 10.020 14.654) 17.752 29.140 ( 0.000 -9.209 16.979) 19.316 29.719 ( 0.000 -24.501 17.927) 30.359 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 6.311 34.220 24.360) 42.477 3.954 ( 9.413 29.486 30.322) 43.329 4.462 ( -15.523 13.166 10.604) 22.951 4.867 ( -10.269 17.489 15.236) 25.367 4.976 ( -0.842 -17.476 5.498) 18.340 5.010 ( -0.827 -19.043 7.902) 20.634 5.310 ( 1.011 -21.992 5.520) 22.696 5.781 ( 1.190 12.813 14.224) 19.181 6.022 ( 1.572 15.383 9.230) 18.008 6.175 ( 3.034 19.273 17.469) 26.188 6.442 ( -1.232 9.636 -12.986) 16.218 6.518 ( 5.707 11.520 13.491) 18.636 6.781 ( 0.459 6.840 -1.486) 7.015 7.028 ( -1.396 3.191 -3.329) 4.818 7.158 ( 0.838 -5.528 -9.785) 11.270 7.455 ( 4.784 -2.311 -4.393) 6.894 7.600 ( 2.658 10.217 4.632) 11.528 7.740 ( 2.317 4.956 -12.023) 13.209 7.907 ( 3.676 -7.317 -4.437) 9.313 8.133 ( -0.504 3.849 3.767) 5.409 8.225 ( -4.992 2.957 -3.651) 6.855 8.434 ( -2.971 -3.129 -2.860) 5.177 8.526 ( -2.059 6.115 -5.660) 8.583 8.607 ( -1.583 -6.656 -0.144) 6.843 8.729 ( 3.058 -2.057 -5.359) 6.504 8.915 ( -4.592 -4.589 -5.187) 8.310 9.169 ( -5.885 -4.070 -2.231) 7.495 9.312 ( -1.834 -3.431 -6.335) 7.434 9.389 ( 4.397 2.697 -5.871) 7.815 9.535 ( -5.927 -1.090 -10.414) 12.032 9.581 ( 3.513 0.177 3.261) 4.796 9.816 ( -6.432 -5.024 -6.524) 10.449 10.087 ( 15.858 -0.288 -13.309) 20.705 10.435 ( 1.627 -13.115 -11.968) 17.829 10.466 ( 2.989 8.137 -7.823) 11.676 10.568 ( -2.511 1.538 -8.117) 8.635 10.620 ( -2.024 0.853 -10.978) 11.195 10.706 ( 7.243 -4.288 -12.020) 14.674 11.176 ( 1.705 -1.554 -4.287) 4.868 11.218 ( -3.666 -1.305 -4.889) 6.249 11.419 ( -1.346 7.962 -0.819) 8.116 11.476 ( -0.909 3.582 -2.438) 4.427 11.803 ( -3.805 -11.401 0.454) 12.028 11.964 ( -2.478 -13.096 5.637) 14.471 12.493 ( 0.727 6.472 -2.522) 6.984 12.613 ( 0.840 1.030 1.330) 1.880 12.767 ( 0.482 -4.300 -0.734) 4.389 12.950 ( -2.909 -2.879 -6.484) 7.668 13.278 ( 1.162 0.921 7.034) 7.188 13.398 ( 3.556 -5.351 7.172) 9.629 13.510 ( -0.989 2.803 13.578) 13.900 13.581 ( -2.230 -1.103 7.554) 7.953 14.109 ( 2.782 -1.104 11.149) 11.543 14.149 ( 4.202 0.031 13.458) 14.099 14.375 ( -2.705 -5.226 8.616) 10.434 14.424 ( -1.016 -6.950 10.485) 12.620 14.824 ( 4.986 8.917 0.721) 10.242 15.184 ( 4.168 -3.744 -4.414) 7.133 15.367 ( -7.087 7.329 -2.627) 10.528 15.556 ( -3.827 0.363 -5.095) 6.382 16.320 ( 0.645 10.240 -16.805) 19.690 16.385 ( -1.017 -0.842 -18.893) 18.939 16.497 ( 2.121 -4.504 -12.466) 13.424 16.728 ( -3.305 -6.900 -10.990) 13.391 17.660 ( 1.582 1.458 -3.036) 3.721 17.682 ( 1.815 0.436 -3.306) 3.796 17.834 ( -2.722 -3.259 1.462) 4.491 17.851 ( -1.970 -3.502 -0.951) 4.129 24.333 ( 2.996 1.613 3.980) 5.236 24.379 ( 2.561 -0.390 3.021) 3.979 24.504 ( -0.715 2.543 2.780) 3.835 24.565 ( -2.332 -0.515 3.910) 4.582 25.082 ( 1.717 -0.647 3.256) 3.737 25.156 ( 1.969 -2.490 2.437) 4.002 25.257 ( -0.344 -4.150 7.190) 8.309 25.394 ( -1.179 -8.622 6.917) 11.116 27.282 ( 1.099 12.684 -12.014) 17.505 27.319 ( 2.511 12.573 -16.710) 21.062 27.454 ( -0.827 9.781 -10.356) 14.268 27.668 ( -3.885 2.250 -17.927) 18.480 28.856 ( 0.709 3.154 15.320) 15.657 28.969 ( -1.748 9.460 14.520) 17.418 29.190 ( 4.905 -10.668 17.592) 21.150 29.654 ( -6.316 -22.587 18.250) 29.717 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( 13.587 28.139 21.608) 37.991 4.106 ( -15.650 20.771 16.645) 30.877 4.223 ( 13.741 28.036 26.281) 40.811 4.564 ( -18.216 26.688 19.305) 37.640 4.963 ( -0.149 -22.078 7.666) 23.372 4.980 ( -1.722 -21.047 7.718) 22.483 5.437 ( 10.730 -26.370 3.931) 28.740 5.671 ( -11.365 -18.323 3.457) 21.837 6.106 ( 6.842 19.053 5.357) 20.941 6.211 ( -2.099 25.976 20.360) 33.071 6.471 ( 4.338 15.306 -6.052) 17.021 6.552 ( -2.495 11.778 3.766) 12.615 6.883 ( 8.599 12.133 -3.361) 15.246 7.001 ( -2.677 9.291 -6.840) 11.844 7.196 ( 4.502 -2.779 1.420) 5.478 7.372 ( -11.404 2.527 5.201) 12.786 7.692 ( 8.837 8.989 -4.656) 13.437 7.827 ( 0.667 -1.334 -0.682) 1.640 7.963 ( -0.339 4.086 -3.323) 5.277 8.030 ( -5.287 8.516 0.883) 10.063 8.260 ( 8.739 0.119 -6.172) 10.700 8.424 ( -3.545 -4.329 -1.300) 5.744 8.509 ( 2.542 -2.073 -4.856) 5.859 8.558 ( -1.972 -3.932 -0.856) 4.481 8.737 ( -2.032 2.859 -8.314) 9.024 8.790 ( -6.923 0.442 -6.796) 9.711 9.136 ( 3.726 -11.301 -8.385) 14.556 9.241 ( -5.272 -9.874 -8.522) 14.069 9.453 ( 3.224 0.529 -4.548) 5.600 9.513 ( -0.887 1.344 -5.841) 6.059 9.613 ( 2.295 -4.364 1.243) 5.085 9.701 ( -5.209 -4.832 -3.290) 7.830 10.338 ( 8.347 2.582 -11.469) 14.418 10.429 ( -1.934 -1.753 -11.398) 11.693 10.516 ( -0.162 -2.287 -11.204) 11.436 10.548 ( -2.116 -1.634 -9.409) 9.781 10.635 ( 9.843 5.817 -6.238) 13.025 10.815 ( -2.120 5.750 -8.857) 10.770 11.125 ( -0.039 -6.021 -3.337) 6.884 11.194 ( -2.399 -5.679 -7.801) 9.944 11.405 ( 0.450 4.046 -2.124) 4.591 11.442 ( -2.340 1.834 -3.356) 4.484 11.789 ( 2.783 -11.835 1.365) 12.234 11.881 ( -5.406 -12.490 2.288) 13.801 12.526 ( 2.492 5.221 -1.288) 5.927 12.583 ( -2.947 3.594 0.187) 4.652 12.814 ( 3.522 -4.699 -3.269) 6.721 12.884 ( -3.562 -4.570 -4.463) 7.313 13.333 ( 4.012 3.280 6.194) 8.076 13.411 ( -2.986 3.564 6.672) 8.133 13.505 ( 1.553 -4.966 12.718) 13.742 13.542 ( -1.837 -3.221 10.648) 11.275 14.179 ( 3.808 -1.821 11.889) 12.616 14.220 ( 1.261 -1.093 14.915) 15.008 14.335 ( 0.004 -6.323 6.302) 8.927 14.382 ( -3.083 -7.332 9.413) 12.323 14.967 ( 9.332 10.664 -0.176) 14.172 15.168 ( -10.002 9.966 -2.062) 14.269 15.314 ( 6.215 -2.658 -3.735) 7.723 15.449 ( -6.707 -1.241 -4.454) 8.146 16.338 ( 1.111 6.542 -17.222) 18.456 16.361 ( -1.258 2.373 -18.168) 18.365 16.557 ( 3.957 -5.250 -10.998) 12.813 16.645 ( -4.734 -6.142 -10.531) 13.077 17.705 ( 2.864 0.446 -1.868) 3.448 17.730 ( 2.821 -0.638 -2.448) 3.789 17.772 ( -3.195 -1.387 -0.391) 3.505 17.798 ( -3.224 -2.232 -2.201) 4.497 24.409 ( 4.322 1.440 4.121) 6.143 24.435 ( 2.714 0.365 3.194) 4.207 24.480 ( -1.820 1.519 3.124) 3.921 24.502 ( -3.804 0.052 3.946) 5.481 25.125 ( 2.525 -0.413 4.088) 4.823 25.168 ( -1.342 -0.410 4.735) 4.938 25.284 ( 3.282 -7.361 4.863) 9.413 25.352 ( -3.043 -8.386 5.662) 10.566 27.315 ( 2.112 12.777 -11.947) 17.619 27.349 ( -0.559 13.130 -13.786) 19.047 27.469 ( 3.512 6.755 -14.670) 16.528 27.569 ( -5.741 4.242 -17.508) 18.907 28.881 ( 1.855 5.315 15.004) 16.025 28.925 ( -2.452 7.679 14.669) 16.737 29.322 ( 8.200 -13.990 18.387) 24.516 29.496 ( -9.090 -18.325 18.631) 27.669 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.303 ( 0.000 -34.851 17.390) 38.948 4.303 ( 0.000 34.851 17.390) 38.948 4.492 ( 0.000 -28.300 20.141) 34.735 4.492 ( 0.000 28.300 20.141) 34.735 4.828 ( 0.000 -9.239 9.907) 13.547 4.828 ( 0.000 9.239 9.907) 13.547 5.700 ( 0.000 -23.036 -2.523) 23.174 5.700 ( 0.000 23.036 -2.523) 23.174 6.227 ( 0.000 -18.816 12.007) 22.321 6.227 ( 0.000 18.816 12.007) 22.321 6.750 ( 0.000 -9.429 2.932) 9.874 6.750 ( 0.000 9.429 2.932) 9.874 6.937 ( 0.000 -25.497 13.079) 28.656 6.937 ( 0.000 25.497 13.079) 28.656 7.084 ( 0.000 -13.957 -6.844) 15.545 7.084 ( 0.000 13.957 -6.844) 15.545 7.776 ( 0.000 -3.086 -9.088) 9.597 7.776 ( 0.000 3.086 -9.088) 9.597 7.916 ( 0.000 -10.421 1.712) 10.561 7.916 ( 0.000 10.421 1.712) 10.561 8.244 ( 0.000 -0.058 -3.619) 3.619 8.244 ( 0.000 0.058 -3.619) 3.619 8.688 ( 0.000 -2.339 -7.687) 8.035 8.688 ( 0.000 2.339 -7.687) 8.035 8.874 ( 0.000 -1.718 -3.835) 4.202 8.874 ( 0.000 1.718 -3.835) 4.202 9.288 ( 0.000 -10.981 -0.554) 10.995 9.288 ( 0.000 10.981 -0.554) 10.995 9.358 ( 0.000 -0.515 -5.674) 5.697 9.358 ( 0.000 0.515 -5.674) 5.697 9.780 ( 0.000 -4.318 -10.291) 11.160 9.780 ( 0.000 4.318 -10.291) 11.160 10.026 ( 0.000 -17.022 -12.727) 21.253 10.026 ( 0.000 17.022 -12.727) 21.253 10.514 ( 0.000 -3.269 -8.944) 9.522 10.514 ( 0.000 3.269 -8.944) 9.522 10.689 ( 0.000 -0.269 -11.724) 11.727 10.689 ( 0.000 0.269 -11.724) 11.727 11.167 ( 0.000 -2.300 -4.750) 5.278 11.167 ( 0.000 2.300 -4.750) 5.278 11.625 ( 0.000 -8.315 2.178) 8.596 11.625 ( 0.000 8.315 2.178) 8.596 11.713 ( 0.000 -10.850 2.128) 11.057 11.713 ( 0.000 10.850 2.128) 11.057 12.601 ( 0.000 -0.073 -5.148) 5.148 12.601 ( 0.000 0.073 -5.148) 5.148 12.811 ( 0.000 -10.320 0.049) 10.320 12.811 ( 0.000 10.320 0.049) 10.320 13.270 ( 0.000 -1.273 7.915) 8.017 13.270 ( 0.000 1.273 7.915) 8.017 13.608 ( 0.000 -1.624 9.997) 10.128 13.608 ( 0.000 1.624 9.997) 10.128 14.090 ( 0.000 -0.444 12.176) 12.184 14.090 ( 0.000 0.444 12.176) 12.184 14.342 ( 0.000 -1.562 12.828) 12.923 14.342 ( 0.000 1.562 12.828) 12.923 14.981 ( 0.000 -10.007 -2.331) 10.275 14.981 ( 0.000 10.007 -2.331) 10.275 15.557 ( 0.000 -4.179 -3.375) 5.372 15.557 ( 0.000 4.179 -3.375) 5.372 16.397 ( 0.000 -1.902 -17.719) 17.821 16.397 ( 0.000 1.902 -17.719) 17.821 16.569 ( 0.000 -10.925 -14.787) 18.385 16.569 ( 0.000 10.925 -14.787) 18.385 17.668 ( 0.000 -0.441 -3.575) 3.602 17.668 ( 0.000 0.441 -3.575) 3.602 17.825 ( 0.000 -0.520 0.465) 0.698 17.825 ( 0.000 0.520 0.465) 0.698 24.333 ( 0.000 -1.211 3.359) 3.570 24.333 ( 0.000 1.211 3.359) 3.570 24.562 ( 0.000 -1.832 2.875) 3.409 24.562 ( 0.000 1.832 2.875) 3.409 25.079 ( 0.000 -2.054 2.655) 3.357 25.079 ( 0.000 2.054 2.655) 3.357 25.270 ( 0.000 -3.788 8.140) 8.979 25.270 ( 0.000 3.788 8.140) 8.979 27.416 ( 0.000 -0.421 -13.650) 13.657 27.416 ( 0.000 0.421 -13.650) 13.657 27.651 ( 0.000 -6.721 -14.153) 15.668 27.651 ( 0.000 6.721 -14.153) 15.668 28.954 ( 0.000 -7.417 16.435) 18.031 28.954 ( 0.000 7.417 16.435) 18.031 29.280 ( 0.000 -17.497 16.048) 23.742 29.280 ( 0.000 17.497 16.048) 23.742 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.319 ( 1.983 -33.473 16.877) 37.540 4.319 ( 1.983 33.473 16.877) 37.540 4.566 ( 6.615 -25.970 18.045) 32.309 4.566 ( 6.615 25.970 18.045) 32.309 4.757 ( -5.844 -12.963 12.039) 18.632 4.757 ( -5.844 12.963 12.039) 18.632 5.496 ( -16.749 -23.283 4.448) 29.025 5.496 ( -16.749 23.283 4.448) 29.025 6.335 ( 7.814 -16.288 3.716) 18.443 6.335 ( 7.814 16.288 3.716) 18.443 6.727 ( -4.273 -3.089 0.148) 5.275 6.727 ( -4.273 3.089 0.148) 5.275 6.954 ( 6.548 -15.235 7.023) 18.009 6.954 ( 6.548 15.235 7.023) 18.009 7.212 ( 7.074 -17.009 1.840) 18.513 7.212 ( 7.074 17.009 1.840) 18.513 7.688 ( -2.046 -3.880 -3.771) 5.785 7.688 ( -2.046 3.880 -3.771) 5.785 8.053 ( 7.539 -11.110 -2.500) 13.657 8.053 ( 7.539 11.110 -2.500) 13.657 8.257 ( 1.020 -2.625 -1.128) 3.034 8.257 ( 1.020 2.625 -1.128) 3.034 8.630 ( -5.235 -1.307 -4.466) 7.004 8.630 ( -5.235 1.307 -4.466) 7.004 8.831 ( -2.852 -5.152 -8.021) 9.951 8.831 ( -2.852 5.152 -8.021) 9.951 9.160 ( -7.794 -7.233 -5.600) 12.018 9.160 ( -7.794 7.233 -5.600) 12.018 9.452 ( 4.007 -3.426 -4.293) 6.799 9.452 ( 4.007 3.426 -4.293) 6.799 9.691 ( -5.856 -6.589 -6.196) 10.775 9.691 ( -5.856 6.589 -6.196) 10.775 10.177 ( 10.993 -9.385 -13.998) 20.122 10.177 ( 10.993 9.385 -13.998) 20.122 10.567 ( 4.781 -3.067 -8.599) 10.306 10.567 ( 4.781 3.067 -8.599) 10.306 10.648 ( -2.375 -1.251 -11.447) 11.757 10.648 ( -2.375 1.251 -11.447) 11.757 11.171 ( -0.724 -1.327 -4.740) 4.975 11.171 ( -0.724 1.327 -4.740) 4.975 11.576 ( -3.599 -6.954 2.361) 8.179 11.576 ( -3.599 6.954 2.361) 8.179 11.691 ( -2.659 -11.773 1.489) 12.161 11.691 ( -2.659 11.773 1.489) 12.161 12.621 ( 2.004 -4.142 -5.096) 6.866 12.621 ( 2.004 4.142 -5.096) 6.866 12.785 ( -2.316 -9.246 -1.187) 9.606 12.785 ( -2.316 9.246 -1.187) 9.606 13.312 ( 3.882 -2.816 8.461) 9.726 13.312 ( 3.882 2.816 8.461) 9.726 13.577 ( -2.987 -1.001 9.984) 10.469 13.577 ( -2.987 1.001 9.984) 10.469 14.120 ( 2.856 -1.848 11.997) 12.470 14.120 ( 2.856 1.848 11.997) 12.470 14.320 ( -2.182 -1.897 12.545) 12.873 14.320 ( -2.182 1.897 12.545) 12.873 15.038 ( 5.560 -9.738 -2.121) 11.412 15.038 ( 5.560 9.738 -2.121) 11.412 15.503 ( -5.308 -5.043 -3.128) 7.962 15.503 ( -5.308 5.043 -3.128) 7.962 16.408 ( 1.123 -2.705 -17.032) 17.282 16.408 ( 1.123 2.705 -17.032) 17.282 16.548 ( -2.027 -9.906 -14.693) 17.836 16.548 ( -2.027 9.906 -14.693) 17.836 17.681 ( 1.298 -0.518 -3.339) 3.619 17.681 ( 1.298 0.518 -3.339) 3.619 17.808 ( -1.665 -0.664 -0.060) 1.793 17.808 ( -1.665 0.664 -0.060) 1.793 24.363 ( 2.832 -1.159 3.460) 4.619 24.363 ( 2.832 1.159 3.460) 4.619 24.547 ( -1.560 -1.398 3.080) 3.725 24.547 ( -1.560 1.398 3.080) 3.725 25.101 ( 2.163 -2.393 2.983) 4.393 25.101 ( 2.163 2.393 2.983) 4.393 25.258 ( -1.265 -3.931 7.525) 8.584 25.258 ( -1.265 3.931 7.525) 8.584 27.435 ( 1.906 -1.351 -13.810) 14.006 27.435 ( 1.906 1.351 -13.810) 14.006 27.625 ( -2.511 -6.119 -14.235) 15.697 27.625 ( -2.511 6.119 -14.235) 15.697 28.980 ( 2.653 -8.442 16.507) 18.729 28.980 ( 2.653 8.442 16.507) 18.729 29.243 ( -3.542 -16.471 16.219) 23.385 29.243 ( -3.542 16.471 16.219) 23.385 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.396 ( 6.064 -28.645 15.391) 33.079 4.396 ( 6.064 28.645 15.391) 33.079 4.547 ( -8.354 -20.366 13.379) 25.760 4.547 ( -8.354 20.366 13.379) 25.760 4.828 ( 13.468 -28.203 15.745) 34.996 4.828 ( 13.468 28.203 15.745) 34.996 5.145 ( -17.887 -26.545 10.847) 33.797 5.145 ( -17.887 26.545 10.847) 33.797 6.481 ( 7.037 -12.528 -1.793) 14.481 6.481 ( 7.037 12.528 -1.793) 14.481 6.615 ( -6.547 -8.910 -1.842) 11.209 6.615 ( -6.547 8.910 -1.842) 11.209 7.123 ( 8.560 -10.416 3.134) 13.842 7.123 ( 8.560 10.416 3.134) 13.842 7.248 ( -3.330 -12.622 2.480) 13.288 7.248 ( -3.330 12.622 2.480) 13.288 7.792 ( 11.540 -4.136 2.171) 12.450 7.792 ( 11.540 4.136 2.171) 12.450 8.035 ( -10.144 -9.156 0.954) 13.698 8.035 ( -10.144 9.156 0.954) 13.698 8.347 ( 8.665 -4.979 -0.262) 9.998 8.347 ( 8.665 4.979 -0.262) 9.998 8.514 ( -7.145 -3.311 -1.145) 7.957 8.514 ( -7.145 3.311 -1.145) 7.957 8.839 ( 4.937 -5.570 -12.750) 14.763 8.839 ( 4.937 5.570 -12.750) 14.763 8.993 ( -9.166 -8.872 -9.951) 16.179 8.993 ( -9.166 8.872 -9.951) 16.179 9.513 ( 3.134 -4.009 -4.997) 7.132 9.513 ( 3.134 4.009 -4.997) 7.132 9.589 ( -4.593 -4.907 -4.110) 7.878 9.589 ( -4.593 4.907 -4.110) 7.878 10.366 ( 8.096 -1.824 -12.699) 15.170 10.366 ( 8.096 1.824 -12.699) 15.170 10.510 ( -6.660 -1.401 -11.566) 13.420 10.510 ( -6.660 1.401 -11.566) 13.420 10.814 ( 14.309 -7.585 -7.281) 17.756 10.814 ( 14.309 7.585 -7.281) 17.756 11.073 ( -10.101 -4.404 -5.388) 12.266 11.073 ( -10.101 4.404 -5.388) 12.266 11.547 ( 1.488 -8.113 1.621) 8.406 11.547 ( 1.488 8.113 1.621) 8.406 11.615 ( -4.480 -10.616 1.238) 11.589 11.615 ( -4.480 10.616 1.238) 11.589 12.673 ( 3.024 -6.634 -4.641) 8.643 12.673 ( 3.024 6.634 -4.641) 8.643 12.732 ( -2.911 -7.808 -3.274) 8.953 12.732 ( -2.911 7.808 -3.274) 8.953 13.403 ( 5.056 -3.114 9.259) 11.000 13.403 ( 5.056 3.114 9.259) 11.000 13.500 ( -4.648 -1.888 9.765) 10.979 13.500 ( -4.648 1.888 9.765) 10.979 14.189 ( 3.882 -2.558 11.868) 12.746 14.189 ( 3.882 2.558 11.868) 12.746 14.263 ( -3.491 -2.408 12.094) 12.816 14.263 ( -3.491 2.408 12.094) 12.816 15.183 ( 8.818 -8.722 -2.051) 12.572 15.183 ( 8.818 8.722 -2.051) 12.572 15.361 ( -8.733 -6.933 -2.520) 11.431 15.361 ( -8.733 6.933 -2.520) 11.431 16.443 ( 2.402 -4.731 -15.689) 16.562 16.443 ( 2.402 4.731 -15.689) 16.562 16.497 ( -2.931 -7.436 -14.817) 16.835 16.497 ( -2.931 7.436 -14.817) 16.835 17.717 ( 2.281 -0.654 -2.558) 3.489 17.717 ( 2.281 0.654 -2.558) 3.489 17.765 ( -2.493 -0.749 -1.299) 2.909 17.765 ( -2.493 0.749 -1.299) 2.909 24.431 ( 3.803 -0.674 3.573) 5.262 24.431 ( 3.803 0.674 3.573) 5.262 24.501 ( -3.069 -0.402 3.433) 4.622 24.501 ( -3.069 0.402 3.433) 4.622 25.157 ( 3.297 -3.230 4.141) 6.201 25.157 ( 3.297 3.230 4.141) 6.201 25.219 ( -2.700 -3.889 5.940) 7.596 25.219 ( -2.700 3.889 5.940) 7.596 27.488 ( 3.388 -2.864 -14.132) 14.812 27.488 ( 3.388 2.864 -14.132) 14.812 27.561 ( -3.761 -4.617 -14.306) 15.496 27.561 ( -3.761 4.617 -14.306) 15.496 29.054 ( 4.664 -10.932 16.604) 20.420 29.054 ( 4.664 10.932 16.604) 20.420 29.154 ( -5.213 -13.929 16.509) 22.221 29.154 ( -5.213 13.929 16.509) 22.221 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 0.000 0.000 44.396) 44.396 3.108 ( 0.000 0.000 46.525) 46.525 3.872 ( 0.000 0.000 19.801) 19.801 4.619 ( 0.000 0.000 8.593) 8.593 4.811 ( 0.000 0.000 -7.591) 7.591 4.974 ( 0.000 0.000 -3.379) 3.379 5.243 ( 0.000 0.000 9.423) 9.423 5.453 ( 0.000 0.000 -9.564) 9.564 5.737 ( 0.000 0.000 -11.702) 11.702 5.890 ( 0.000 0.000 14.711) 14.711 5.973 ( 0.000 0.000 47.618) 47.618 6.378 ( 0.000 0.000 -16.513) 16.513 6.653 ( 0.000 0.000 -12.239) 12.239 6.653 ( 0.000 0.000 -29.130) 29.130 6.683 ( 0.000 0.000 -16.482) 16.482 7.284 ( 0.000 0.000 -3.070) 3.070 7.497 ( 0.000 0.000 -5.704) 5.704 7.922 ( 0.000 0.000 23.982) 23.982 7.945 ( 0.000 0.000 21.181) 21.181 8.213 ( 0.000 0.000 9.704) 9.704 8.502 ( 0.000 0.000 -5.483) 5.483 8.594 ( 0.000 0.000 -12.439) 12.439 8.660 ( 0.000 0.000 0.067) 0.067 8.661 ( 0.000 0.000 -0.182) 0.182 8.684 ( 0.000 0.000 5.185) 5.185 8.928 ( 0.000 0.000 10.338) 10.338 8.989 ( 0.000 0.000 -6.577) 6.577 9.215 ( 0.000 0.000 -1.002) 1.002 9.292 ( 0.000 0.000 -11.988) 11.988 9.373 ( 0.000 0.000 -4.701) 4.701 9.672 ( 0.000 0.000 -16.707) 16.707 9.727 ( 0.000 0.000 -12.208) 12.208 9.817 ( 0.000 0.000 -13.648) 13.648 10.075 ( 0.000 0.000 -5.385) 5.385 10.186 ( 0.000 0.000 5.890) 5.890 10.632 ( 0.000 0.000 3.724) 3.724 10.734 ( 0.000 0.000 4.632) 4.632 10.882 ( 0.000 0.000 -4.628) 4.628 11.012 ( 0.000 0.000 -4.691) 4.691 11.104 ( 0.000 0.000 -5.246) 5.246 11.178 ( 0.000 0.000 -5.876) 5.876 11.281 ( 0.000 0.000 -14.033) 14.033 12.064 ( 0.000 0.000 -19.526) 19.526 12.269 ( 0.000 0.000 -8.899) 8.899 12.366 ( 0.000 0.000 3.892) 3.892 12.431 ( 0.000 0.000 7.452) 7.452 13.194 ( 0.000 0.000 2.370) 2.370 13.285 ( 0.000 0.000 -7.888) 7.888 13.288 ( 0.000 0.000 6.068) 6.068 13.366 ( 0.000 0.000 13.111) 13.111 13.876 ( 0.000 0.000 -5.451) 5.451 14.050 ( 0.000 0.000 -0.119) 0.119 14.124 ( 0.000 0.000 9.613) 9.613 14.187 ( 0.000 0.000 0.557) 0.557 14.318 ( 0.000 0.000 1.064) 1.064 14.826 ( 0.000 0.000 9.371) 9.371 14.921 ( 0.000 0.000 -8.631) 8.631 14.965 ( 0.000 0.000 7.777) 7.777 15.080 ( 0.000 0.000 -4.077) 4.077 15.113 ( 0.000 0.000 -1.561) 1.561 15.981 ( 0.000 0.000 1.419) 1.419 16.405 ( 0.000 0.000 -17.564) 17.564 16.627 ( 0.000 0.000 -3.394) 3.394 16.683 ( 0.000 0.000 -6.572) 6.572 17.358 ( 0.000 0.000 -7.924) 7.924 17.531 ( 0.000 0.000 -4.925) 4.925 17.950 ( 0.000 0.000 4.213) 4.213 18.764 ( 0.000 0.000 -2.084) 2.084 24.330 ( 0.000 0.000 4.100) 4.100 24.392 ( 0.000 0.000 1.540) 1.540 24.474 ( 0.000 0.000 4.792) 4.792 24.715 ( 0.000 0.000 3.326) 3.326 25.269 ( 0.000 0.000 3.691) 3.691 25.371 ( 0.000 0.000 -0.872) 0.872 25.709 ( 0.000 0.000 7.304) 7.304 25.782 ( 0.000 0.000 4.452) 4.452 26.074 ( 0.000 0.000 6.361) 6.361 26.343 ( 0.000 0.000 -7.570) 7.570 26.695 ( 0.000 0.000 -6.550) 6.550 26.907 ( 0.000 0.000 -21.411) 21.411 29.007 ( 0.000 0.000 11.826) 11.826 29.170 ( 0.000 0.000 10.363) 10.363 29.974 ( 0.000 0.000 20.477) 20.477 31.110 ( 0.000 0.000 -8.155) 8.155 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 10.262 0.000 42.219) 43.448 3.276 ( 16.045 0.000 43.446) 46.314 3.837 ( -4.267 0.000 22.776) 23.172 4.472 ( -13.876 0.000 17.060) 21.991 4.791 ( -1.774 0.000 -6.138) 6.389 4.910 ( -5.007 0.000 -5.060) 7.118 5.323 ( 7.035 0.000 -0.356) 7.044 5.496 ( 3.684 0.000 -10.871) 11.479 5.715 ( -2.200 0.000 -11.540) 11.748 5.857 ( -5.525 0.000 -16.604) 17.499 6.057 ( 10.025 0.000 75.563) 76.225 6.426 ( 4.482 0.000 -18.675) 19.205 6.564 ( 2.996 0.000 -20.679) 20.895 6.679 ( -0.880 0.000 -18.335) 18.356 6.877 ( 10.166 0.000 -19.837) 22.290 7.354 ( 7.326 0.000 0.699) 7.359 7.516 ( -20.413 0.000 32.212) 38.135 7.563 ( 0.735 0.000 -1.573) 1.736 8.147 ( 4.564 0.000 14.476) 15.179 8.156 ( -8.121 0.000 10.331) 13.141 8.373 ( -6.090 0.000 -2.955) 6.769 8.448 ( -12.006 0.000 2.946) 12.362 8.556 ( -6.664 0.000 1.949) 6.944 8.655 ( 3.079 0.000 -12.210) 12.592 8.806 ( 8.259 0.000 -7.092) 10.887 8.877 ( -8.302 0.000 -2.755) 8.748 9.053 ( 2.458 0.000 4.868) 5.453 9.227 ( -5.273 0.000 -10.594) 11.833 9.244 ( 4.319 0.000 -3.467) 5.538 9.478 ( 8.021 0.000 -6.159) 10.113 9.607 ( -7.378 0.000 -6.901) 10.103 9.692 ( 1.347 0.000 -14.569) 14.631 9.932 ( 7.308 0.000 -11.836) 13.910 10.120 ( 1.250 0.000 0.625) 1.398 10.205 ( 4.760 0.000 -0.515) 4.787 10.641 ( 0.886 0.000 3.655) 3.761 10.724 ( -1.005 0.000 3.996) 4.121 10.805 ( -6.657 0.000 -4.623) 8.105 11.037 ( 2.449 0.000 -5.111) 5.668 11.124 ( 3.809 0.000 -7.945) 8.811 11.256 ( -2.513 0.000 -12.884) 13.127 11.301 ( 6.638 0.000 -7.903) 10.320 12.078 ( 2.794 0.000 -19.810) 20.006 12.311 ( 2.942 0.000 -11.663) 12.028 12.371 ( 0.517 0.000 4.147) 4.179 12.424 ( -0.695 0.000 6.864) 6.899 13.110 ( -4.671 0.000 0.655) 4.717 13.291 ( -1.899 0.000 -2.395) 3.057 13.294 ( 0.744 0.000 6.971) 7.010 13.365 ( -0.235 0.000 12.290) 12.293 13.883 ( 0.860 0.000 -5.107) 5.179 14.029 ( -2.079 0.000 -0.699) 2.194 14.136 ( 2.076 0.000 7.212) 7.505 14.261 ( 3.870 0.000 3.783) 5.412 14.358 ( 5.657 0.000 1.013) 5.747 14.842 ( 1.539 0.000 9.296) 9.422 14.925 ( -0.947 0.000 -6.242) 6.314 14.954 ( -1.081 0.000 8.011) 8.084 15.002 ( -5.734 0.000 -2.541) 6.271 15.096 ( -2.198 0.000 -6.604) 6.960 16.005 ( 2.545 0.000 -0.310) 2.564 16.350 ( -5.227 0.000 -15.876) 16.715 16.634 ( 0.619 0.000 -3.702) 3.753 16.679 ( -0.436 0.000 -6.270) 6.285 17.411 ( 5.069 0.000 -8.655) 10.030 17.583 ( 4.641 0.000 -6.694) 8.146 17.930 ( -1.262 0.000 6.648) 6.767 18.606 ( -14.665 0.000 1.844) 14.780 24.364 ( 3.283 0.000 4.513) 5.581 24.410 ( 1.372 0.000 1.743) 2.219 24.477 ( 0.413 0.000 3.867) 3.889 24.684 ( -3.084 0.000 3.128) 4.392 25.294 ( 2.789 0.000 4.108) 4.965 25.462 ( 4.859 0.000 0.915) 4.945 25.767 ( 8.960 0.000 0.748) 8.991 25.800 ( 1.786 0.000 4.395) 4.744 26.022 ( -4.394 0.000 5.044) 6.690 26.401 ( 4.951 0.000 -6.337) 8.042 26.671 ( -2.372 0.000 -6.407) 6.832 26.803 ( -10.513 0.000 -20.899) 23.395 29.017 ( 1.064 0.000 11.901) 11.949 29.145 ( -2.277 0.000 11.008) 11.241 30.067 ( 9.084 0.000 18.524) 20.632 30.970 ( -13.278 0.000 -3.385) 13.703 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 15.336 0.000 36.849) 39.912 3.674 ( 22.927 0.000 36.681) 43.257 3.676 ( -12.286 0.000 29.877) 32.304 4.118 ( -21.301 0.000 28.265) 35.393 4.773 ( 0.777 0.000 -5.707) 5.759 4.822 ( -3.754 0.000 -6.733) 7.709 5.487 ( 9.466 0.000 -11.848) 15.166 5.576 ( 4.192 0.000 -12.107) 12.812 5.655 ( -3.742 0.000 -11.902) 12.477 5.686 ( -10.380 0.000 -17.595) 20.429 6.376 ( 21.622 0.000 64.645) 68.165 6.532 ( 5.775 0.000 -21.306) 22.075 6.632 ( -3.986 0.000 -21.168) 21.540 6.693 ( 2.529 0.000 2.550) 3.592 6.963 ( -3.469 0.000 -17.287) 17.632 7.022 ( -18.317 0.000 23.585) 29.863 7.571 ( 14.379 0.000 6.390) 15.735 7.727 ( 12.259 0.000 1.655) 12.371 7.886 ( -16.728 0.000 8.777) 18.891 8.010 ( -14.823 0.000 4.732) 15.560 8.351 ( 2.234 0.000 -0.097) 2.236 8.415 ( 6.996 0.000 5.386) 8.829 8.430 ( -5.579 0.000 0.267) 5.585 8.606 ( -10.683 0.000 -1.085) 10.738 8.829 ( 6.794 0.000 -8.665) 11.011 8.962 ( 7.629 0.000 -9.298) 12.027 8.983 ( -7.291 0.000 -5.288) 9.007 9.105 ( -6.906 0.000 -10.343) 12.437 9.380 ( 7.236 0.000 -1.065) 7.314 9.494 ( -4.834 0.000 -1.922) 5.202 9.624 ( 5.989 0.000 -7.655) 9.720 9.697 ( -1.424 0.000 -10.773) 10.867 10.029 ( 3.321 0.000 -4.833) 5.864 10.091 ( -2.928 0.000 -1.062) 3.114 10.402 ( 12.733 0.000 -4.699) 13.572 10.637 ( -10.514 0.000 -5.772) 11.994 10.665 ( 1.536 0.000 3.366) 3.700 10.697 ( -1.645 0.000 3.267) 3.658 11.104 ( 4.155 0.000 -6.931) 8.081 11.188 ( -4.180 0.000 -10.012) 10.850 11.231 ( 6.264 0.000 -9.520) 11.396 11.334 ( -3.063 0.000 -9.179) 9.677 12.196 ( 7.989 0.000 -21.034) 22.500 12.320 ( -3.215 0.000 -18.665) 18.940 12.386 ( 0.953 0.000 4.748) 4.842 12.406 ( -1.050 0.000 5.687) 5.783 13.091 ( 3.324 0.000 3.780) 5.034 13.202 ( -6.353 0.000 1.789) 6.600 13.318 ( 1.605 0.000 8.695) 8.842 13.350 ( -1.381 0.000 10.571) 10.661 13.916 ( 2.514 0.000 -3.888) 4.630 13.975 ( -3.179 0.000 -2.157) 3.842 14.203 ( 4.206 0.000 5.940) 7.278 14.271 ( -2.045 0.000 4.881) 5.292 14.544 ( 11.521 0.000 3.771) 12.123 14.774 ( -11.404 0.000 4.102) 12.119 14.881 ( 2.234 0.000 9.023) 9.295 14.923 ( -1.954 0.000 8.535) 8.756 14.988 ( 2.013 0.000 -11.111) 11.292 15.040 ( -3.042 0.000 -10.610) 11.037 16.087 ( 5.803 0.000 -5.287) 7.850 16.221 ( -7.339 0.000 -11.375) 13.537 16.649 ( 0.906 0.000 -4.500) 4.590 16.666 ( -0.793 0.000 -5.479) 5.536 17.533 ( 6.686 0.000 -9.914) 11.958 17.633 ( -1.904 0.000 -11.435) 11.592 17.986 ( 9.374 0.000 11.767) 15.045 18.270 ( -17.640 0.000 8.070) 19.398 24.427 ( 1.782 0.000 5.061) 5.366 24.432 ( 0.669 0.000 3.135) 3.205 24.507 ( 3.560 0.000 2.076) 4.121 24.602 ( -5.071 0.000 2.734) 5.761 25.371 ( 4.693 0.000 5.027) 6.878 25.459 ( -3.635 0.000 5.382) 6.495 25.851 ( 3.397 0.000 4.280) 5.464 25.930 ( -4.548 0.000 4.315) 6.270 26.097 ( 21.523 0.000 -12.650) 24.965 26.507 ( 5.464 0.000 -5.828) 7.989 26.509 ( -18.935 0.000 -18.676) 26.595 26.605 ( -4.331 0.000 -6.068) 7.454 29.047 ( 2.009 0.000 12.003) 12.170 29.094 ( -2.645 0.000 11.799) 12.092 30.312 ( 15.472 0.000 13.561) 20.574 30.648 ( -18.001 0.000 5.877) 18.936 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 0.000 11.698 44.056) 45.582 3.345 ( 0.000 27.716 40.976) 49.469 4.117 ( 0.000 21.806 18.156) 28.375 4.562 ( 0.000 -1.049 10.811) 10.861 5.051 ( 0.000 18.170 -9.194) 20.364 5.092 ( 0.000 8.286 2.124) 8.554 5.325 ( 0.000 9.349 5.700) 10.950 5.594 ( 0.000 10.949 -11.184) 15.651 5.827 ( 0.000 5.696 -6.924) 8.966 5.866 ( 0.000 -2.516 -5.428) 5.983 6.042 ( 0.000 7.961 64.151) 64.643 6.365 ( 0.000 1.038 -12.653) 12.696 6.654 ( 0.000 0.157 -15.049) 15.050 6.698 ( 0.000 4.957 -26.069) 26.537 6.752 ( 0.000 5.229 -13.064) 14.072 7.168 ( 0.000 -7.536 -5.406) 9.275 7.523 ( 0.000 1.565 2.945) 3.335 7.765 ( 0.000 -13.502 15.840) 20.813 7.958 ( 0.000 1.076 10.777) 10.831 8.148 ( 0.000 -4.635 10.171) 11.178 8.367 ( 0.000 -9.289 -5.103) 10.598 8.623 ( 0.000 -2.885 -3.600) 4.614 8.624 ( 0.000 -4.835 5.569) 7.375 8.678 ( 0.000 2.639 -1.755) 3.169 8.718 ( 0.000 4.945 -7.040) 8.603 8.969 ( 0.000 2.885 7.906) 8.416 9.077 ( 0.000 3.448 -8.148) 8.848 9.244 ( 0.000 3.466 -0.794) 3.556 9.332 ( 0.000 -4.801 -5.618) 7.389 9.376 ( 0.000 -10.439 -11.779) 15.739 9.378 ( 0.000 6.640 -14.932) 16.341 9.715 ( 0.000 -0.473 -9.192) 9.204 10.032 ( 0.000 -0.845 -5.417) 5.482 10.129 ( 0.000 12.326 -11.342) 16.751 10.172 ( 0.000 -1.138 4.994) 5.122 10.650 ( 0.000 0.438 1.885) 1.935 10.695 ( 0.000 -4.090 3.890) 5.644 10.788 ( 0.000 -8.768 -5.092) 10.139 10.986 ( 0.000 -0.731 -3.507) 3.583 11.098 ( 0.000 0.222 -6.455) 6.459 11.169 ( 0.000 -1.110 -6.397) 6.493 11.297 ( 0.000 0.657 -12.193) 12.210 12.022 ( 0.000 -3.443 -16.684) 17.035 12.328 ( 0.000 4.870 -11.955) 12.909 12.415 ( 0.000 4.098 3.206) 5.203 12.438 ( 0.000 -0.092 5.886) 5.887 13.104 ( 0.000 -12.542 1.022) 12.583 13.131 ( 0.000 -5.638 2.197) 6.051 13.346 ( 0.000 2.689 3.132) 4.128 13.410 ( 0.000 3.677 12.056) 12.604 13.798 ( 0.000 -5.157 -2.590) 5.771 14.063 ( 0.000 -1.385 2.456) 2.820 14.156 ( 0.000 2.979 8.380) 8.894 14.196 ( 0.000 0.688 0.460) 0.828 14.411 ( 0.000 7.197 1.815) 7.423 14.713 ( 0.000 -4.765 1.250) 4.926 14.888 ( 0.000 -5.064 5.667) 7.600 14.992 ( 0.000 3.486 -5.861) 6.819 15.162 ( 0.000 6.404 -1.145) 6.506 15.184 ( 0.000 4.688 0.349) 4.701 15.974 ( 0.000 -0.616 0.582) 0.847 16.315 ( 0.000 -7.370 -14.999) 16.712 16.556 ( 0.000 -6.060 -4.476) 7.534 16.687 ( 0.000 -0.356 -9.234) 9.241 17.403 ( 0.000 3.651 -7.563) 8.398 17.550 ( 0.000 1.630 -4.652) 4.929 17.916 ( 0.000 -3.060 2.859) 4.188 18.573 ( 0.000 -16.008 1.199) 16.053 24.336 ( 0.000 0.604 3.924) 3.970 24.395 ( 0.000 0.268 1.649) 1.670 24.478 ( 0.000 0.690 4.161) 4.218 24.707 ( 0.000 -0.828 3.074) 3.184 25.237 ( 0.000 -2.806 3.262) 4.303 25.315 ( 0.000 -4.528 -0.722) 4.585 25.658 ( 0.000 -4.373 8.363) 9.437 25.881 ( 0.000 -0.972 3.840) 3.961 26.151 ( 0.000 15.844 2.523) 16.044 26.463 ( 0.000 10.716 -8.304) 13.557 26.810 ( 0.000 9.877 -7.162) 12.201 27.003 ( 0.000 7.973 -20.769) 22.247 29.025 ( 0.000 1.902 11.885) 12.037 29.157 ( 0.000 -1.093 10.827) 10.882 29.912 ( 0.000 -5.857 20.050) 20.888 30.926 ( 0.000 -16.514 -3.845) 16.956 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 9.674 12.765 41.575) 44.554 3.482 ( 12.814 23.211 38.984) 47.146 4.075 ( -4.949 20.897 21.317) 30.259 4.439 ( -11.618 0.239 16.725) 20.366 5.032 ( -1.706 18.896 -6.649) 20.105 5.078 ( -1.984 13.028 -2.027) 13.333 5.356 ( 4.405 5.280 0.239) 6.880 5.624 ( 2.142 9.862 -11.593) 15.370 5.787 ( -3.894 2.383 -9.938) 10.937 5.833 ( -3.688 -0.467 -11.169) 11.771 6.138 ( 9.807 8.359 66.951) 68.180 6.377 ( 2.162 -0.152 -13.860) 14.029 6.630 ( 1.755 4.244 -18.291) 18.859 6.735 ( 0.371 3.739 -16.241) 16.670 6.873 ( 10.313 -0.181 -17.207) 20.062 7.226 ( 3.875 -5.700 0.919) 6.953 7.532 ( -11.325 0.308 19.286) 22.368 7.610 ( -0.682 0.663 5.895) 5.972 7.991 ( 1.031 -9.911 8.547) 13.128 8.085 ( -8.743 -5.708 4.693) 11.447 8.314 ( 0.730 -4.745 -1.318) 4.978 8.507 ( -10.258 0.320 6.211) 11.997 8.565 ( -5.989 1.613 -5.555) 8.327 8.619 ( -1.798 -5.050 -6.411) 8.357 8.750 ( -0.231 2.967 -5.610) 6.350 8.959 ( -2.849 -3.220 0.981) 4.410 9.094 ( 1.121 7.252 -4.698) 8.713 9.243 ( -0.845 1.507 -4.165) 4.509 9.286 ( 1.533 0.892 -6.702) 6.933 9.449 ( 4.438 -8.406 -9.786) 13.642 9.499 ( 7.320 1.957 -9.583) 12.216 9.691 ( -0.146 1.265 -6.742) 6.861 10.020 ( -1.987 2.052 -4.429) 5.270 10.181 ( -0.515 4.703 -2.109) 5.180 10.204 ( 8.611 2.202 -4.072) 9.776 10.644 ( -1.274 -2.216 0.023) 2.557 10.660 ( -1.987 -4.561 0.828) 5.044 10.771 ( -2.946 -3.533 -1.183) 4.750 11.019 ( 3.636 -0.571 -4.089) 5.501 11.103 ( 2.634 -1.305 -7.629) 8.176 11.255 ( 2.770 -1.492 -9.786) 10.279 11.297 ( 1.365 0.183 -9.976) 10.070 12.002 ( -0.520 -5.771 -15.611) 16.651 12.275 ( -4.147 -1.828 -6.796) 8.169 12.427 ( 1.767 4.985 -0.475) 5.310 12.497 ( 3.220 3.108 0.569) 4.511 13.039 ( -2.726 -6.369 2.773) 7.462 13.161 ( -0.154 -8.803 2.381) 9.120 13.344 ( 0.189 2.447 4.506) 5.131 13.414 ( -0.035 4.014 10.901) 11.617 13.812 ( 1.715 -4.798 -1.769) 5.394 14.035 ( -2.750 -1.523 2.391) 3.949 14.163 ( 2.023 2.626 4.879) 5.899 14.283 ( 6.027 1.392 4.301) 7.534 14.415 ( 1.123 4.825 1.078) 5.070 14.742 ( 2.788 -3.865 1.492) 4.994 14.841 ( -4.688 -5.563 4.531) 8.571 14.998 ( -0.472 3.790 -4.822) 6.151 15.102 ( -3.620 4.977 2.442) 6.621 15.186 ( -0.959 6.697 -3.373) 7.560 15.993 ( 2.067 -0.995 -0.883) 2.458 16.269 ( -4.306 -6.663 -13.690) 15.823 16.575 ( 1.650 -5.233 -4.781) 7.278 16.677 ( -1.037 -0.774 -8.545) 8.642 17.443 ( 3.999 2.722 -8.037) 9.381 17.597 ( 4.139 1.148 -6.277) 7.606 17.894 ( -1.531 -3.172 4.998) 6.114 18.446 ( -11.873 -13.493 3.618) 18.334 24.371 ( 3.324 0.599 4.242) 5.423 24.417 ( 1.735 0.611 1.772) 2.555 24.481 ( 0.315 0.583 3.631) 3.691 24.676 ( -3.059 -0.779 3.015) 4.366 25.261 ( 2.610 -2.887 3.600) 5.302 25.380 ( 4.505 -5.928 0.621) 7.471 25.661 ( 1.275 -5.556 6.372) 8.550 25.884 ( -0.364 -4.186 3.988) 5.793 26.172 ( 3.291 19.358 -1.294) 19.678 26.492 ( 2.393 9.302 -8.128) 12.582 26.790 ( -1.947 10.148 -7.166) 12.575 26.923 ( -7.725 9.647 -19.722) 23.274 29.033 ( 0.787 1.627 11.995) 12.131 29.136 ( -1.908 -0.710 11.400) 11.581 29.996 ( 8.315 -6.564 18.277) 21.125 30.805 ( -11.537 -14.895 -0.140) 18.841 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 15.767 14.160 35.986) 41.762 3.785 ( 14.393 14.521 32.646) 38.519 3.905 ( -9.910 18.125 29.804) 36.263 4.151 ( -16.867 5.518 25.904) 31.400 5.006 ( -0.103 19.049 -4.365) 19.543 5.032 ( -2.274 17.760 -5.135) 18.627 5.491 ( 8.511 1.571 -10.590) 13.677 5.649 ( -3.817 2.889 -16.154) 16.848 5.688 ( -1.598 3.184 -10.901) 11.468 5.744 ( -4.322 5.219 -7.964) 10.457 6.402 ( 13.329 3.450 38.772) 41.144 6.457 ( 4.410 -0.953 -10.209) 11.162 6.644 ( 3.249 1.778 5.881) 6.950 6.817 ( 2.160 5.822 -5.790) 8.491 6.999 ( 0.530 1.437 -19.381) 19.441 7.054 ( -16.812 4.776 19.810) 26.418 7.447 ( 9.324 -5.917 2.254) 11.270 7.658 ( -5.954 -7.047 5.853) 10.926 7.875 ( 1.260 0.603 5.694) 5.862 8.020 ( -5.921 -2.745 7.517) 9.955 8.303 ( 0.225 -5.040 -0.896) 5.124 8.409 ( -6.301 1.247 -6.523) 9.155 8.462 ( 3.457 1.351 -0.389) 3.732 8.576 ( -4.985 -4.946 -4.339) 8.255 8.736 ( 2.749 -0.521 -5.739) 6.385 8.850 ( -7.008 -5.549 -3.371) 9.553 9.131 ( 2.441 6.123 -4.115) 7.770 9.183 ( -2.939 2.647 -6.309) 7.447 9.412 ( 6.452 2.134 -3.934) 7.853 9.483 ( -0.824 -2.923 -5.059) 5.901 9.618 ( 4.853 0.747 -7.859) 9.267 9.690 ( -1.801 1.624 -7.325) 7.716 10.032 ( 3.883 0.029 -4.881) 6.237 10.130 ( -4.578 3.152 -4.434) 7.110 10.397 ( 9.978 0.340 -3.196) 10.483 10.565 ( -6.459 -5.237 -5.888) 10.189 10.655 ( 0.694 -1.650 2.507) 3.081 10.693 ( -3.498 -1.172 3.392) 5.011 11.114 ( 5.439 0.997 -6.537) 8.562 11.187 ( 3.075 -2.419 -9.642) 10.406 11.227 ( -1.106 1.449 -9.214) 9.392 11.306 ( -3.150 -2.761 -8.658) 9.618 12.055 ( 5.752 -9.369 -13.674) 17.545 12.178 ( -5.856 -7.824 -9.011) 13.293 12.473 ( 2.681 5.045 -2.300) 6.159 12.518 ( -1.228 3.898 -3.635) 5.469 13.041 ( 2.898 -4.191 4.995) 7.135 13.117 ( -3.828 -6.475 3.725) 8.394 13.362 ( 1.559 2.626 6.639) 7.308 13.397 ( -1.640 3.497 8.837) 9.645 13.871 ( 4.194 -3.361 -0.088) 5.375 13.961 ( -4.523 -2.085 1.395) 5.172 14.234 ( 4.732 3.398 3.973) 7.052 14.316 ( -2.640 4.438 4.525) 6.866 14.524 ( 9.124 -2.512 2.285) 9.735 14.707 ( -8.663 -5.357 3.584) 10.798 14.817 ( 4.698 -1.077 2.263) 5.325 14.923 ( -5.804 2.190 1.882) 6.482 15.097 ( 2.224 5.956 -2.901) 6.988 15.149 ( -2.591 6.991 -4.504) 8.711 16.059 ( 4.633 -2.363 -5.080) 7.270 16.165 ( -5.824 -4.638 -10.137) 12.578 16.612 ( 1.969 -3.588 -5.588) 6.926 16.649 ( -1.736 -1.953 -7.020) 7.490 17.546 ( 5.942 1.173 -9.058) 10.896 17.639 ( -1.990 0.519 -10.582) 10.780 17.933 ( 7.728 -4.577 9.929) 13.389 18.170 ( -14.654 -8.511 7.512) 18.537 24.438 ( 2.132 1.051 4.736) 5.299 24.445 ( 0.843 1.210 3.028) 3.368 24.505 ( 3.100 -0.132 2.178) 3.791 24.595 ( -4.924 -0.580 2.809) 5.698 25.331 ( 4.185 -3.384 4.557) 7.052 25.403 ( -2.306 -4.535 4.604) 6.862 25.740 ( 5.858 -8.266 3.307) 10.657 25.842 ( -3.980 -7.234 4.097) 9.217 26.318 ( 11.109 17.122 -10.279) 22.853 26.504 ( -3.967 8.117 -11.218) 14.404 26.742 ( -2.484 11.648 -8.118) 14.413 26.757 ( -5.890 13.658 -12.929) 19.708 29.056 ( 1.582 0.947 12.181) 12.320 29.093 ( -2.177 0.101 12.078) 12.273 30.220 ( 14.034 -8.519 13.856) 21.483 30.522 ( -16.007 -11.538 7.323) 21.047 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 0.000 22.261 37.823) 43.887 4.007 ( 0.000 31.953 37.735) 49.446 4.623 ( 0.000 6.756 12.690) 14.377 4.670 ( 0.000 27.645 11.587) 29.975 5.235 ( 0.000 5.964 13.123) 14.415 5.404 ( 0.000 7.884 -3.977) 8.830 5.598 ( 0.000 11.972 5.035) 12.987 5.744 ( 0.000 3.962 -18.064) 18.494 5.827 ( 0.000 -4.899 5.246) 7.178 5.891 ( 0.000 7.609 -4.758) 8.974 6.335 ( 0.000 20.081 51.049) 54.856 6.506 ( 0.000 11.679 -4.181) 12.405 6.706 ( 0.000 4.856 -26.108) 26.556 6.797 ( 0.000 2.297 -14.636) 14.815 6.901 ( 0.000 9.032 -4.124) 9.929 7.074 ( 0.000 0.665 -8.951) 8.976 7.518 ( 0.000 -8.574 9.172) 12.555 7.569 ( 0.000 3.545 10.977) 11.535 7.933 ( 0.000 -2.956 -4.214) 5.147 8.056 ( 0.000 -2.339 0.721) 2.447 8.216 ( 0.000 -4.243 -10.117) 10.971 8.436 ( 0.000 -12.489 -1.122) 12.539 8.509 ( 0.000 -8.521 1.302) 8.620 8.741 ( 0.000 1.110 2.124) 2.397 8.749 ( 0.000 0.686 -7.847) 7.877 9.011 ( 0.000 -5.235 -8.603) 10.070 9.098 ( 0.000 7.563 -3.918) 8.517 9.227 ( 0.000 -2.289 -0.479) 2.339 9.258 ( 0.000 -3.397 -5.661) 6.602 9.387 ( 0.000 4.955 -5.640) 7.508 9.503 ( 0.000 3.750 -9.106) 9.848 9.741 ( 0.000 2.477 -6.301) 6.771 9.936 ( 0.000 -8.039 1.072) 8.110 10.169 ( 0.000 2.149 0.791) 2.290 10.344 ( 0.000 7.424 -8.036) 10.940 10.533 ( 0.000 -14.819 -7.788) 16.741 10.560 ( 0.000 -9.220 -4.681) 10.340 10.579 ( 0.000 -6.014 0.827) 6.070 11.081 ( 0.000 8.234 -0.465) 8.248 11.117 ( 0.000 0.777 -7.522) 7.562 11.141 ( 0.000 0.627 -7.773) 7.798 11.302 ( 0.000 0.622 -8.939) 8.961 11.932 ( 0.000 -5.571 -11.829) 13.076 12.324 ( 0.000 -7.862 -7.035) 10.550 12.417 ( 0.000 -1.104 3.118) 3.307 12.547 ( 0.000 6.408 -8.808) 10.892 12.872 ( 0.000 -5.968 8.887) 10.705 12.973 ( 0.000 -8.917 0.106) 8.918 13.410 ( 0.000 3.033 3.285) 4.471 13.496 ( 0.000 4.149 12.240) 12.924 13.731 ( 0.000 -0.767 2.402) 2.522 13.930 ( 0.000 -9.691 10.105) 14.001 14.213 ( 0.000 1.179 2.906) 3.136 14.252 ( 0.000 5.914 8.149) 10.069 14.552 ( 0.000 5.186 3.751) 6.400 14.682 ( 0.000 -0.052 1.059) 1.060 14.791 ( 0.000 -3.739 3.682) 5.248 15.057 ( 0.000 2.077 -5.739) 6.103 15.283 ( 0.000 4.982 0.303) 4.991 15.313 ( 0.000 8.178 -2.930) 8.687 15.968 ( 0.000 0.525 -3.169) 3.212 16.153 ( 0.000 -7.010 -12.516) 14.346 16.407 ( 0.000 -7.686 -6.240) 9.900 16.642 ( 0.000 -4.386 -11.876) 12.660 17.482 ( 0.000 3.548 -6.804) 7.673 17.587 ( 0.000 1.645 -3.719) 4.067 17.839 ( 0.000 -3.827 -0.427) 3.851 18.214 ( 0.000 -16.215 3.681) 16.628 24.353 ( 0.000 0.998 3.470) 3.610 24.402 ( 0.000 0.312 1.878) 1.903 24.508 ( 0.000 2.138 3.034) 3.711 24.682 ( 0.000 -1.499 2.344) 2.782 25.170 ( 0.000 -3.113 2.687) 4.112 25.221 ( 0.000 -3.782 0.262) 3.791 25.552 ( 0.000 -5.305 9.733) 11.085 25.750 ( 0.000 -8.318 7.293) 11.062 26.621 ( 0.000 23.568 -5.995) 24.319 26.742 ( 0.000 14.821 -9.860) 17.801 27.047 ( 0.000 11.495 -8.413) 14.245 27.184 ( 0.000 8.360 -19.893) 21.579 29.097 ( 0.000 5.392 11.977) 13.135 29.138 ( 0.000 -0.262 12.194) 12.196 29.742 ( 0.000 -9.956 18.930) 21.388 30.490 ( 0.000 -23.544 3.758) 23.842 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( 7.604 20.357 35.856) 41.927 4.084 ( 7.329 29.912 35.816) 47.236 4.502 ( -11.258 10.208 17.666) 23.304 4.624 ( -4.885 23.963 14.008) 28.184 5.252 ( 1.268 3.625 7.829) 8.720 5.398 ( -1.108 7.220 -2.051) 7.587 5.608 ( 1.295 13.610 3.311) 14.067 5.756 ( -0.155 4.542 -17.300) 17.887 5.801 ( -1.514 -1.050 -0.072) 1.844 5.847 ( -2.915 6.237 -4.249) 8.090 6.418 ( 7.561 17.729 44.972) 48.928 6.514 ( 1.806 11.888 -5.300) 13.141 6.693 ( -4.704 1.913 -3.622) 6.238 6.797 ( 4.004 3.254 -16.849) 17.621 6.935 ( 5.666 5.227 -13.731) 15.747 7.207 ( 8.146 3.953 -4.979) 10.333 7.469 ( -5.433 -5.233 10.002) 12.528 7.650 ( 4.883 5.760 4.196) 8.639 7.869 ( -3.395 -1.068 2.935) 4.613 7.994 ( -5.221 -2.348 -0.653) 5.762 8.190 ( -2.183 -5.619 -8.082) 10.083 8.400 ( -2.442 -10.976 -6.773) 13.127 8.465 ( -2.925 -3.654 4.598) 6.561 8.674 ( -5.060 3.705 -3.061) 6.979 8.763 ( -0.531 -2.521 -5.191) 5.795 8.941 ( -8.108 -1.842 -3.702) 9.101 9.097 ( -1.130 -3.991 -7.666) 8.716 9.203 ( 0.233 -3.852 -6.220) 7.320 9.305 ( 5.742 1.133 -2.287) 6.284 9.378 ( 0.494 0.278 -4.078) 4.117 9.605 ( 6.482 5.623 -9.785) 13.015 9.718 ( -0.622 0.806 -2.781) 2.961 10.023 ( 1.966 -1.469 0.021) 2.454 10.194 ( 6.774 0.562 -2.000) 7.086 10.334 ( -1.967 4.411 -7.376) 8.817 10.490 ( -1.728 -8.481 -6.087) 10.582 10.556 ( -0.320 -8.082 -3.273) 8.726 10.646 ( 3.610 -7.625 -0.734) 8.468 11.080 ( -0.804 2.914 -4.770) 5.647 11.098 ( 1.939 3.922 -3.126) 5.377 11.209 ( 3.301 -1.588 -9.903) 10.559 11.297 ( -0.741 0.419 -8.481) 8.524 11.879 ( -3.599 -6.298 -11.666) 13.737 12.198 ( -9.034 -6.703 -5.702) 12.612 12.483 ( 3.237 -3.535 0.027) 4.793 12.552 ( 0.118 5.070 -7.032) 8.670 12.894 ( 2.039 -5.191 7.098) 9.027 12.975 ( 0.044 -8.626 0.385) 8.635 13.392 ( -0.580 1.874 5.359) 5.707 13.511 ( -0.124 5.112 10.079) 11.302 13.746 ( 1.975 -1.274 3.586) 4.287 13.918 ( -1.349 -8.348 9.484) 12.706 14.241 ( 3.325 3.719 3.153) 5.901 14.311 ( 5.438 2.603 6.583) 8.927 14.521 ( -2.730 4.121 3.064) 5.816 14.697 ( -0.638 -2.982 2.871) 4.188 14.781 ( 0.745 0.952 1.688) 2.076 15.073 ( 0.504 2.843 -4.707) 5.521 15.200 ( -4.801 5.001 1.251) 7.044 15.330 ( -0.701 6.919 -3.038) 7.589 15.979 ( 1.176 0.230 -4.014) 4.189 16.126 ( -2.422 -5.867 -11.474) 13.113 16.437 ( 2.757 -7.542 -6.631) 10.414 16.622 ( -1.919 -4.781 -11.187) 12.316 17.507 ( 2.537 3.028 -6.835) 7.894 17.622 ( 3.110 1.043 -4.861) 5.864 17.816 ( -1.921 -3.838 1.017) 4.411 18.140 ( -6.992 -13.946 4.208) 16.158 24.388 ( 3.342 0.958 3.649) 5.040 24.431 ( 2.431 0.569 2.058) 3.235 24.508 ( -0.056 1.995 2.923) 3.539 24.655 ( -2.683 -1.155 2.560) 3.884 25.192 ( 2.289 -3.228 2.892) 4.901 25.266 ( 3.723 -4.405 1.068) 5.866 25.538 ( -0.819 -5.914 8.527) 10.409 25.730 ( -2.115 -8.669 6.713) 11.166 26.646 ( 2.575 22.645 -7.874) 24.113 26.757 ( 1.267 14.621 -9.784) 17.638 27.032 ( -1.408 11.654 -8.551) 14.523 27.135 ( -4.656 9.559 -18.789) 21.589 29.095 ( -0.084 4.633 12.204) 13.054 29.129 ( -0.796 0.675 12.547) 12.590 29.808 ( 6.423 -11.028 17.579) 21.723 30.407 ( -8.036 -21.767 5.735) 23.901 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 14.467 16.109 30.887) 37.720 4.182 ( -11.134 14.885 25.407) 31.481 4.304 ( 5.090 23.908 29.981) 38.683 4.485 ( -9.033 23.716 22.229) 33.737 5.281 ( 2.198 1.497 0.992) 2.838 5.345 ( -3.820 2.505 -1.316) 4.754 5.662 ( 3.850 13.358 -3.887) 14.435 5.728 ( -2.292 9.603 -14.411) 17.468 5.784 ( -0.215 3.553 -3.327) 4.872 5.804 ( -1.690 6.512 -1.918) 6.996 6.518 ( 2.877 8.471 6.540) 11.081 6.569 ( -1.811 6.715 -3.359) 7.724 6.726 ( 12.014 6.446 27.902) 31.055 6.868 ( 0.983 -0.274 -4.133) 4.257 7.045 ( 4.428 4.274 -14.463) 15.718 7.216 ( -12.931 10.131 9.750) 19.103 7.402 ( 8.403 2.133 -1.855) 8.865 7.610 ( -10.052 4.640 -3.379) 11.575 7.883 ( 5.760 3.232 9.632) 11.679 7.989 ( -0.424 0.566 3.735) 3.802 8.144 ( 2.836 -8.146 -8.361) 12.013 8.316 ( -8.021 -7.508 -10.261) 15.033 8.492 ( 5.062 0.330 -2.217) 5.536 8.577 ( -3.587 3.552 -6.232) 8.020 8.712 ( -3.027 -3.706 -3.780) 6.098 8.753 ( -7.811 -5.289 0.746) 9.463 9.130 ( 3.238 -6.767 -6.928) 10.212 9.185 ( -2.035 -3.435 -6.042) 7.243 9.412 ( 2.696 -0.760 -2.983) 4.091 9.432 ( 3.329 0.779 -1.246) 3.639 9.651 ( 2.469 -0.529 -8.078) 8.463 9.733 ( -2.026 0.402 -3.765) 4.294 10.056 ( 4.715 2.831 -7.547) 9.339 10.190 ( -7.231 2.260 -9.339) 12.026 10.429 ( 8.335 2.150 -0.369) 8.615 10.483 ( 0.246 -2.145 -4.173) 4.699 10.558 ( 1.789 -7.354 -0.306) 7.575 10.650 ( -3.905 -2.418 1.914) 4.976 11.107 ( 3.465 -2.527 -5.426) 6.916 11.147 ( 1.614 -1.916 -6.914) 7.354 11.235 ( -0.398 -1.248 -9.976) 10.062 11.258 ( -2.818 1.242 -7.625) 8.224 11.873 ( 4.019 -8.073 -11.666) 14.745 12.014 ( -9.158 -8.350 -8.992) 15.312 12.525 ( 1.338 -1.976 -1.032) 2.600 12.545 ( -0.765 1.437 -3.685) 4.029 12.937 ( 2.069 -5.520 3.934) 7.087 12.968 ( -0.924 -7.375 1.530) 7.588 13.410 ( 2.424 2.303 6.894) 7.662 13.472 ( -3.266 3.974 8.104) 9.598 13.807 ( 3.679 -2.584 6.025) 7.517 13.875 ( -3.000 -5.390 7.902) 10.025 14.337 ( 5.833 4.582 2.606) 7.862 14.429 ( 0.990 4.389 5.934) 7.447 14.468 ( 2.429 -1.033 1.051) 2.841 14.610 ( -7.134 -2.836 2.490) 8.071 14.859 ( 6.017 3.754 2.378) 7.480 14.994 ( -7.202 4.317 1.816) 8.591 15.201 ( 3.740 3.897 -2.444) 5.928 15.282 ( -3.813 5.571 -3.158) 7.453 16.015 ( 2.442 -1.042 -6.310) 6.846 16.070 ( -3.047 -3.403 -9.137) 10.215 16.502 ( 3.617 -6.813 -7.673) 10.880 16.571 ( -3.227 -5.736 -9.456) 11.521 17.577 ( 4.384 1.700 -7.235) 8.629 17.652 ( -1.935 0.736 -8.500) 8.749 17.823 ( 4.745 -5.298 5.508) 8.996 17.973 ( -9.103 -9.168 4.923) 13.826 24.466 ( 3.265 1.374 3.996) 5.340 24.476 ( 1.949 1.477 2.754) 3.683 24.509 ( 0.923 0.802 2.391) 2.686 24.582 ( -4.498 -0.515 2.861) 5.356 25.254 ( 3.650 -3.433 3.894) 6.346 25.308 ( -0.794 -3.875 3.859) 5.526 25.562 ( 4.044 -8.347 5.136) 10.602 25.662 ( -4.840 -9.192 5.258) 11.643 26.717 ( 4.222 19.310 -11.331) 22.784 26.772 ( -0.586 15.289 -10.944) 18.811 27.004 ( -0.763 12.183 -9.699) 15.591 27.035 ( -4.249 11.995 -14.508) 19.298 29.098 ( 0.405 3.363 12.661) 13.106 29.111 ( -0.893 2.163 12.861) 13.072 29.980 ( 10.679 -13.845 14.347) 22.618 30.205 ( -11.695 -17.803 10.060) 23.557 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( 0.000 27.960 29.728) 40.811 4.586 ( 0.000 22.941 35.245) 42.053 4.826 ( 0.000 12.105 13.617) 18.219 5.061 ( 0.000 4.966 2.395) 5.513 5.223 ( 0.000 -19.151 10.181) 21.689 5.379 ( 0.000 7.140 23.394) 24.460 5.518 ( 0.000 -11.215 15.553) 19.175 5.825 ( 0.000 -2.478 -9.297) 9.622 5.996 ( 0.000 18.392 7.463) 19.848 6.117 ( 0.000 12.342 -15.680) 19.955 6.656 ( 0.000 -1.734 -24.293) 24.355 6.793 ( 0.000 13.644 6.285) 15.022 6.864 ( 0.000 12.138 -1.450) 12.225 6.902 ( 0.000 16.835 24.781) 29.959 6.988 ( 0.000 -3.718 0.442) 3.744 7.214 ( 0.000 8.959 -9.748) 13.240 7.413 ( 0.000 -0.338 -2.013) 2.042 7.705 ( 0.000 9.322 7.720) 12.103 7.792 ( 0.000 -12.472 -8.756) 15.239 8.034 ( 0.000 -3.599 -14.211) 14.660 8.259 ( 0.000 -0.064 -14.137) 14.137 8.284 ( 0.000 7.529 -10.671) 13.060 8.320 ( 0.000 -1.681 10.419) 10.554 8.694 ( 0.000 -7.438 3.629) 8.277 8.807 ( 0.000 2.145 3.037) 3.718 8.809 ( 0.000 -9.422 -8.027) 12.378 9.069 ( 0.000 -7.657 -15.429) 17.225 9.284 ( 0.000 0.720 2.461) 2.564 9.296 ( 0.000 6.651 -1.630) 6.848 9.453 ( 0.000 1.539 -12.371) 12.466 9.546 ( 0.000 3.139 -5.995) 6.768 9.702 ( 0.000 -11.104 10.863) 15.534 9.759 ( 0.000 -1.316 -1.681) 2.136 10.154 ( 0.000 -20.396 -12.487) 23.914 10.265 ( 0.000 5.074 -6.213) 8.022 10.395 ( 0.000 -4.699 -8.296) 9.534 10.462 ( 0.000 3.336 -5.345) 6.300 10.488 ( 0.000 -1.748 -2.842) 3.337 11.088 ( 0.000 -1.250 -3.631) 3.840 11.104 ( 0.000 -1.626 -5.555) 5.788 11.359 ( 0.000 4.898 -9.203) 10.425 11.372 ( 0.000 13.480 -6.627) 15.021 11.772 ( 0.000 -9.079 -7.114) 11.534 12.046 ( 0.000 -15.837 -4.950) 16.593 12.441 ( 0.000 3.826 -0.951) 3.942 12.586 ( 0.000 -1.626 -3.050) 3.456 12.806 ( 0.000 -5.503 -0.042) 5.503 12.867 ( 0.000 0.657 -0.938) 1.145 13.433 ( 0.000 -0.651 7.091) 7.121 13.546 ( 0.000 -0.788 12.174) 12.200 13.760 ( 0.000 3.385 7.166) 7.926 13.799 ( 0.000 -0.752 12.314) 12.337 14.253 ( 0.000 2.643 6.482) 7.000 14.349 ( 0.000 1.496 8.715) 8.842 14.606 ( 0.000 0.285 7.896) 7.902 14.651 ( 0.000 -2.807 8.346) 8.805 14.775 ( 0.000 3.508 -0.644) 3.567 15.043 ( 0.000 -3.702 -4.146) 5.558 15.396 ( 0.000 5.606 -0.984) 5.692 15.473 ( 0.000 5.250 -4.696) 7.044 16.027 ( 0.000 5.768 -10.471) 11.955 16.061 ( 0.000 -1.324 -11.197) 11.275 16.255 ( 0.000 -6.230 -7.320) 9.613 16.497 ( 0.000 -9.374 -13.227) 16.212 17.545 ( 0.000 2.520 -5.510) 6.059 17.607 ( 0.000 0.047 -2.515) 2.516 17.781 ( 0.000 -1.146 -3.375) 3.564 17.942 ( 0.000 -9.629 1.499) 9.745 24.375 ( 0.000 1.069 2.926) 3.115 24.405 ( 0.000 -0.132 2.125) 2.129 24.561 ( 0.000 2.617 2.117) 3.365 24.647 ( 0.000 -1.727 1.669) 2.402 25.124 ( 0.000 -0.948 2.533) 2.704 25.166 ( 0.000 -1.830 1.387) 2.296 25.461 ( 0.000 -2.696 10.419) 10.762 25.581 ( 0.000 -7.327 9.062) 11.654 27.024 ( 0.000 13.861 -8.551) 16.286 27.030 ( 0.000 11.585 -11.151) 16.080 27.247 ( 0.000 7.050 -10.344) 12.518 27.317 ( 0.000 3.791 -18.731) 19.110 29.168 ( 0.000 3.615 14.037) 14.495 29.265 ( 0.000 10.834 11.666) 15.920 29.518 ( 0.000 -10.823 17.639) 20.695 29.999 ( 0.000 -22.614 8.918) 24.309 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.153 ( 3.411 25.769 27.610) 37.921 4.618 ( 1.224 19.555 28.975) 34.978 4.756 ( -5.077 15.634 19.478) 25.487 4.995 ( -5.017 4.451 0.970) 6.776 5.209 ( -1.778 -15.725 10.528) 19.008 5.340 ( -4.579 5.841 24.072) 25.190 5.522 ( 1.140 -13.241 14.393) 19.590 5.800 ( -3.254 -4.824 -5.938) 8.314 6.037 ( 3.921 17.894 5.498) 19.126 6.125 ( 1.697 15.236 -13.182) 20.219 6.664 ( 0.241 -3.797 -14.788) 15.269 6.768 ( -2.735 8.938 2.079) 9.576 6.789 ( -3.610 6.683 0.836) 7.641 6.912 ( -0.741 11.639 6.845) 13.523 7.072 ( 9.762 13.410 8.717) 18.738 7.308 ( 5.127 1.718 -4.553) 7.069 7.490 ( 4.927 8.136 -7.381) 12.039 7.769 ( 2.545 -11.016 -3.953) 11.978 7.820 ( 10.044 6.966 3.378) 12.681 8.019 ( -2.838 2.052 -10.969) 11.514 8.195 ( -7.013 10.630 -8.001) 15.040 8.287 ( 0.551 1.569 -12.777) 12.884 8.344 ( 3.035 -5.882 6.374) 9.189 8.683 ( -1.058 -4.618 -0.222) 4.742 8.730 ( -5.685 -2.982 3.468) 7.297 8.788 ( -2.966 -5.734 -4.095) 7.645 8.980 ( -11.832 -8.296 -11.092) 18.217 9.111 ( -4.740 -6.381 -11.069) 13.627 9.374 ( -1.170 4.197 -4.296) 6.119 9.401 ( 4.027 3.726 4.808) 7.295 9.666 ( 1.719 0.079 -9.385) 9.542 9.716 ( -0.314 -1.837 3.540) 4.000 9.908 ( 13.027 -7.326 2.171) 15.103 10.129 ( 1.376 -12.019 -13.570) 18.179 10.325 ( 3.506 1.968 -6.015) 7.236 10.429 ( 1.744 -2.652 -5.575) 6.416 10.437 ( -0.910 1.320 -4.788) 5.049 10.518 ( 4.603 -3.764 -4.336) 7.359 11.065 ( -0.904 -0.695 -5.072) 5.199 11.125 ( -0.835 -2.729 -4.912) 5.681 11.335 ( -1.659 7.002 -7.541) 10.424 11.370 ( -0.905 10.386 -6.906) 12.505 11.713 ( -4.232 -9.447 -8.174) 13.190 11.971 ( -7.096 -13.964 -6.432) 16.933 12.461 ( 1.878 2.679 -0.852) 3.381 12.593 ( 0.053 -0.466 -3.110) 3.145 12.784 ( -1.099 -5.855 0.582) 5.985 12.862 ( -1.117 -3.329 -1.924) 4.004 13.423 ( 0.838 2.109 8.411) 8.711 13.602 ( 2.837 1.062 11.249) 11.649 13.735 ( -1.666 0.428 7.355) 7.553 13.796 ( -0.364 -1.296 11.654) 11.731 14.285 ( 3.086 1.881 6.330) 7.289 14.384 ( 3.516 1.178 7.875) 8.704 14.552 ( -4.234 -0.376 7.232) 8.389 14.637 ( -1.910 -2.902 6.844) 7.675 14.835 ( 5.401 4.905 1.184) 7.391 15.087 ( 4.109 -2.094 -4.107) 6.176 15.324 ( -6.320 6.578 -1.007) 9.178 15.451 ( -2.804 3.448 -3.690) 5.777 16.033 ( 0.590 5.357 -10.320) 11.643 16.060 ( -0.041 0.186 -10.511) 10.512 16.278 ( 2.296 -7.100 -7.997) 10.938 16.473 ( -2.343 -9.332 -12.657) 15.899 17.563 ( 1.829 2.357 -5.346) 6.122 17.632 ( 2.362 -0.366 -2.695) 3.602 17.758 ( -2.154 -1.089 -2.985) 3.839 17.904 ( -3.637 -8.459 1.381) 9.311 24.409 ( 3.239 1.043 3.096) 4.600 24.437 ( 2.888 -0.036 2.379) 3.741 24.557 ( -0.455 2.400 2.212) 3.295 24.629 ( -1.880 -1.281 2.027) 3.047 25.146 ( 2.311 -0.764 2.779) 3.694 25.202 ( 3.423 -2.108 1.804) 4.406 25.435 ( -2.351 -3.183 9.412) 10.210 25.556 ( -2.600 -7.560 8.160) 11.424 27.033 ( 1.048 13.287 -10.644) 17.057 27.045 ( 1.238 11.804 -10.088) 15.577 27.233 ( -1.333 6.922 -10.326) 12.503 27.287 ( -2.833 4.438 -17.823) 18.584 29.172 ( 0.552 4.514 14.029) 14.747 29.255 ( -1.072 10.298 12.177) 15.983 29.560 ( 4.148 -12.084 16.689) 21.018 29.947 ( -4.995 -21.350 9.850) 24.037 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( 8.856 20.576 22.865) 32.009 4.484 ( -11.637 15.362 18.382) 26.633 4.791 ( 6.012 19.049 24.034) 31.251 4.902 ( -4.801 10.238 7.838) 13.759 5.173 ( -0.648 -12.000 11.838) 16.869 5.223 ( -5.575 -0.673 21.510) 22.231 5.584 ( 5.002 -11.920 9.679) 16.149 5.700 ( -6.237 -8.364 1.768) 10.582 6.126 ( 4.107 17.260 1.214) 17.783 6.162 ( 0.714 17.556 -5.957) 18.553 6.652 ( -0.082 -4.537 -2.708) 5.284 6.688 ( -3.614 -0.630 2.026) 4.191 6.818 ( 3.970 10.724 -5.455) 12.670 6.886 ( -2.307 9.791 -1.662) 10.196 7.248 ( 6.557 11.058 4.429) 13.598 7.340 ( -2.388 -0.500 -4.316) 4.957 7.595 ( 9.370 13.634 -2.964) 16.807 7.831 ( -10.741 7.424 -2.267) 13.252 7.993 ( 11.330 7.852 -9.697) 16.854 8.019 ( 8.710 5.463 6.155) 11.983 8.091 ( -2.510 5.596 -6.808) 9.163 8.254 ( -6.911 0.381 -7.861) 10.474 8.436 ( 6.789 -4.782 -2.546) 8.685 8.593 ( -7.642 -5.750 -4.969) 10.777 8.637 ( -4.176 -3.701 4.345) 7.072 8.650 ( -6.603 2.851 -3.182) 7.864 8.893 ( 4.107 -14.746 -9.032) 17.773 9.012 ( -6.355 -12.303 -9.224) 16.638 9.422 ( 4.978 0.373 -3.594) 6.151 9.470 ( 2.074 2.361 2.080) 3.768 9.606 ( -2.612 -2.563 -2.765) 4.586 9.664 ( -6.010 -6.106 -3.526) 9.265 10.115 ( 8.057 1.933 -8.270) 11.707 10.209 ( 0.702 -2.199 -7.175) 7.537 10.343 ( 1.510 -5.957 -2.553) 6.654 10.406 ( -3.057 -6.605 -1.947) 7.534 10.548 ( 10.999 6.381 -3.109) 13.091 10.656 ( 4.497 2.781 -5.002) 7.278 11.032 ( -3.151 -5.190 -6.825) 9.135 11.035 ( -5.708 -5.769 -5.126) 9.599 11.315 ( -0.092 6.222 -6.533) 9.022 11.335 ( -1.935 7.894 -6.730) 10.552 11.692 ( 2.904 -9.754 -10.030) 14.289 11.809 ( -8.182 -11.388 -9.187) 16.764 12.509 ( 2.913 2.001 -0.780) 3.619 12.567 ( -2.606 1.802 -1.576) 3.539 12.788 ( 1.391 -8.115 -0.870) 8.280 12.825 ( -2.198 -7.251 -2.038) 7.846 13.481 ( 4.577 4.984 8.668) 10.996 13.578 ( -4.503 6.013 9.269) 11.931 13.745 ( 2.096 -4.543 9.484) 10.723 13.780 ( -1.281 -2.910 10.627) 11.092 14.364 ( 4.665 0.468 6.152) 7.735 14.459 ( -4.332 -0.320 5.664) 7.138 14.478 ( 4.844 -0.714 7.486) 8.945 14.576 ( -4.261 -2.614 6.432) 8.146 14.968 ( 7.937 7.433 1.075) 10.927 15.122 ( -5.668 7.553 -1.690) 9.593 15.245 ( 3.520 0.005 -1.842) 3.973 15.361 ( -6.070 1.107 -2.982) 6.853 16.047 ( 0.695 4.368 -9.897) 10.840 16.057 ( -0.336 2.771 -9.739) 10.132 16.338 ( 3.629 -8.473 -9.461) 13.209 16.412 ( -3.677 -9.150 -11.194) 14.918 17.614 ( 3.231 1.834 -5.225) 6.411 17.671 ( -0.974 1.032 -5.706) 5.880 17.729 ( 1.900 -3.476 0.696) 4.022 17.814 ( -5.106 -5.928 0.978) 7.885 24.489 ( 4.357 0.796 3.291) 5.518 24.497 ( 2.911 0.591 2.647) 3.979 24.539 ( -1.417 1.624 2.479) 3.285 24.574 ( -3.682 -0.325 2.711) 4.584 25.211 ( 3.943 -0.226 3.948) 5.584 25.262 ( 0.592 -0.372 3.937) 3.998 25.403 ( 0.999 -6.527 6.196) 9.055 25.480 ( -4.895 -7.871 6.069) 11.079 27.062 ( 1.466 12.671 -12.316) 17.731 27.069 ( 0.857 11.960 -10.899) 16.204 27.207 ( -0.779 6.445 -11.038) 12.806 27.226 ( -2.710 5.660 -14.780) 16.057 29.192 ( 1.440 6.497 13.784) 15.306 29.225 ( -1.781 8.657 13.118) 15.818 29.672 ( 7.038 -14.890 14.553) 21.978 29.820 ( -7.536 -18.310 12.061) 23.184 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.711 ( 0.000 -27.047 20.502) 33.939 4.711 ( 0.000 27.047 20.502) 33.939 4.954 ( 0.000 -12.043 18.367) 21.964 4.954 ( 0.000 12.043 18.367) 21.964 5.140 ( 0.000 -16.360 22.839) 28.094 5.140 ( 0.000 16.360 22.839) 28.094 5.664 ( 0.000 -11.163 3.491) 11.696 5.664 ( 0.000 11.163 3.491) 11.696 6.271 ( 0.000 -0.868 -8.851) 8.893 6.271 ( 0.000 0.868 -8.851) 8.893 6.719 ( 0.000 -12.329 -10.882) 16.444 6.719 ( 0.000 12.329 -10.882) 16.444 6.971 ( 0.000 -2.535 11.455) 11.732 6.971 ( 0.000 2.535 11.455) 11.732 7.278 ( 0.000 -8.640 2.390) 8.965 7.278 ( 0.000 8.640 2.390) 8.965 7.519 ( 0.000 -9.194 -11.980) 15.102 7.519 ( 0.000 9.194 -11.980) 15.102 7.901 ( 0.000 -8.511 -9.157) 12.501 7.901 ( 0.000 8.511 -9.157) 12.501 8.263 ( 0.000 -4.393 6.438) 7.794 8.263 ( 0.000 4.393 6.438) 7.794 8.574 ( 0.000 -2.232 -2.722) 3.520 8.574 ( 0.000 2.232 -2.722) 3.520 8.714 ( 0.000 -0.567 -4.356) 4.393 8.714 ( 0.000 0.567 -4.356) 4.393 9.107 ( 0.000 -10.812 -13.864) 17.582 9.107 ( 0.000 10.812 -13.864) 17.582 9.407 ( 0.000 -4.687 5.461) 7.196 9.407 ( 0.000 4.687 5.461) 7.196 9.683 ( 0.000 -5.260 1.481) 5.465 9.683 ( 0.000 5.260 1.481) 5.465 9.753 ( 0.000 -16.254 -11.836) 20.107 9.753 ( 0.000 16.254 -11.836) 20.107 10.330 ( 0.000 -2.071 -7.394) 7.678 10.330 ( 0.000 2.071 -7.394) 7.678 10.494 ( 0.000 -0.473 -5.841) 5.860 10.494 ( 0.000 0.473 -5.841) 5.860 11.078 ( 0.000 -0.453 -3.996) 4.021 11.078 ( 0.000 0.453 -3.996) 4.021 11.490 ( 0.000 -6.008 -11.336) 12.830 11.490 ( 0.000 6.008 -11.336) 12.830 11.743 ( 0.000 -11.382 -2.565) 11.667 11.743 ( 0.000 11.382 -2.565) 11.667 12.531 ( 0.000 -3.492 -2.708) 4.419 12.531 ( 0.000 3.492 -2.708) 4.419 12.800 ( 0.000 -4.554 -0.930) 4.648 12.800 ( 0.000 4.554 -0.930) 4.648 13.473 ( 0.000 -4.476 11.241) 12.100 13.473 ( 0.000 4.476 11.241) 12.100 13.817 ( 0.000 -0.409 9.413) 9.422 13.817 ( 0.000 0.409 9.413) 9.422 14.315 ( 0.000 -3.119 8.542) 9.094 14.315 ( 0.000 3.119 8.542) 9.094 14.605 ( 0.000 -0.765 11.078) 11.104 14.605 ( 0.000 0.765 11.078) 11.104 14.914 ( 0.000 -7.882 -3.368) 8.571 14.914 ( 0.000 7.882 -3.368) 8.571 15.493 ( 0.000 -2.789 -2.474) 3.728 15.493 ( 0.000 2.789 -2.474) 3.728 16.088 ( 0.000 -2.708 -11.069) 11.395 16.088 ( 0.000 2.708 -11.069) 11.395 16.276 ( 0.000 -10.142 -12.286) 15.931 16.276 ( 0.000 10.142 -12.286) 15.931 17.589 ( 0.000 -1.641 -3.584) 3.942 17.589 ( 0.000 1.641 -3.584) 3.942 17.806 ( 0.000 -3.663 -2.138) 4.241 17.806 ( 0.000 3.663 -2.138) 4.241 24.395 ( 0.000 -0.759 2.449) 2.564 24.395 ( 0.000 0.759 2.449) 2.564 24.609 ( 0.000 -2.012 1.614) 2.580 24.609 ( 0.000 2.012 1.614) 2.580 25.132 ( 0.000 -1.358 2.171) 2.561 25.132 ( 0.000 1.358 2.171) 2.561 25.465 ( 0.000 -3.241 10.139) 10.644 25.465 ( 0.000 3.241 10.139) 10.644 27.170 ( 0.000 -0.344 -9.887) 9.893 27.170 ( 0.000 0.344 -9.887) 9.893 27.335 ( 0.000 -1.739 -15.024) 15.124 27.335 ( 0.000 1.739 -15.024) 15.124 29.296 ( 0.000 -8.384 15.356) 17.496 29.296 ( 0.000 8.384 15.356) 17.496 29.575 ( 0.000 -17.392 11.619) 20.916 29.575 ( 0.000 17.392 11.619) 20.916 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.692 ( -1.206 -24.181 17.380) 29.803 4.692 ( -1.206 24.181 17.380) 29.803 4.927 ( -3.939 -11.413 12.724) 17.541 4.927 ( -3.939 11.413 12.724) 17.541 5.152 ( 2.770 -17.686 26.654) 32.108 5.152 ( 2.770 17.686 26.654) 32.108 5.605 ( -6.025 -12.212 9.475) 16.590 5.605 ( -6.025 12.212 9.475) 16.590 6.305 ( 3.505 -2.836 -7.960) 9.149 6.305 ( 3.505 2.836 -7.960) 9.149 6.631 ( -5.727 -7.141 -4.970) 10.416 6.631 ( -5.727 7.141 -4.970) 10.416 7.040 ( 4.239 -9.068 1.382) 10.105 7.040 ( 4.239 9.068 1.382) 10.105 7.310 ( -0.287 -5.400 -1.302) 5.562 7.310 ( -0.287 5.400 -1.302) 5.562 7.588 ( 9.654 -2.413 -4.801) 11.048 7.588 ( 9.654 2.413 -4.801) 11.048 7.961 ( 5.570 -7.732 -9.520) 13.470 7.961 ( 5.570 7.732 -9.520) 13.470 8.297 ( 2.695 -5.059 3.505) 6.719 8.297 ( 2.695 5.059 3.505) 6.719 8.553 ( -2.914 -13.653 -4.459) 14.655 8.553 ( -2.914 13.653 -4.459) 14.655 8.649 ( -5.217 -0.385 0.037) 5.231 8.649 ( -5.217 0.385 0.037) 5.231 8.953 ( -10.671 -6.392 -12.570) 17.684 8.953 ( -10.671 6.392 -12.570) 17.684 9.450 ( 1.312 -2.358 2.746) 3.849 9.450 ( 1.312 2.358 2.746) 3.849 9.658 ( -4.083 -1.199 -0.950) 4.360 9.658 ( -4.083 1.199 -0.950) 4.360 9.889 ( 13.247 -6.679 -8.810) 17.254 9.889 ( 13.247 6.679 -8.810) 17.254 10.384 ( 3.021 -2.090 -7.357) 8.223 10.384 ( 3.021 2.090 -7.357) 8.223 10.471 ( 0.706 -1.503 -4.975) 5.245 10.471 ( 0.706 1.503 -4.975) 5.245 11.075 ( -1.401 -1.632 -4.456) 4.948 11.075 ( -1.401 1.632 -4.456) 4.948 11.477 ( -0.993 -7.408 -9.916) 12.417 11.477 ( -0.993 7.408 -9.916) 12.417 11.679 ( -5.848 -12.569 -4.177) 14.478 11.679 ( -5.848 12.569 -4.177) 14.478 12.549 ( 1.841 -3.945 -2.802) 5.178 12.549 ( 1.841 3.945 -2.802) 5.178 12.759 ( -3.638 -4.178 -1.230) 5.675 12.759 ( -3.638 4.178 -1.230) 5.675 13.517 ( 4.053 -6.179 10.895) 13.164 13.517 ( 4.053 6.179 10.895) 13.164 13.786 ( -2.978 -1.814 9.470) 10.091 13.786 ( -2.978 1.814 9.470) 10.091 14.343 ( 2.682 -3.432 8.430) 9.489 14.343 ( 2.682 3.432 8.430) 9.489 14.569 ( -3.213 -2.595 9.976) 10.797 14.569 ( -3.213 2.595 9.976) 10.797 14.982 ( 6.282 -7.416 -2.443) 10.021 14.982 ( 6.282 7.416 -2.443) 10.021 15.443 ( -4.956 -3.886 -2.313) 6.709 15.443 ( -4.956 3.886 -2.313) 6.709 16.107 ( 1.876 -3.425 -10.969) 11.643 16.107 ( 1.876 3.425 -10.969) 11.643 16.260 ( -1.586 -9.266 -11.909) 15.172 16.260 ( -1.586 9.266 -11.909) 15.172 17.606 ( 1.786 -1.795 -3.406) 4.244 17.606 ( 1.786 1.795 -3.406) 4.244 17.782 ( -2.289 -3.393 -2.216) 4.654 17.782 ( -2.289 3.393 -2.216) 4.654 24.429 ( 3.114 -0.752 2.676) 4.175 24.429 ( 3.114 0.752 2.676) 4.175 24.600 ( -1.069 -1.664 1.888) 2.734 24.600 ( -1.069 1.664 1.888) 2.734 25.161 ( 2.965 -1.787 2.496) 4.268 25.161 ( 2.965 1.787 2.496) 4.268 25.436 ( -2.954 -3.360 9.114) 10.153 25.436 ( -2.954 3.360 9.114) 10.153 27.181 ( 1.152 -0.355 -10.356) 10.426 27.181 ( 1.152 0.355 -10.356) 10.426 27.314 ( -2.003 -1.359 -14.527) 14.727 27.314 ( -2.003 1.359 -14.527) 14.727 29.320 ( 2.377 -9.342 15.067) 17.887 29.320 ( 2.377 9.342 15.067) 17.887 29.545 ( -2.904 -16.537 12.061) 20.673 29.545 ( -2.904 16.537 12.061) 20.673 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.702 ( 2.888 -18.855 12.323) 22.710 4.702 ( 2.888 18.855 12.323) 22.710 4.805 ( -7.007 -14.144 10.065) 18.721 4.805 ( -7.007 14.144 10.065) 18.721 5.268 ( 8.288 -16.239 25.444) 31.302 5.268 ( 8.288 16.239 25.444) 31.302 5.447 ( -9.328 -14.208 18.938) 25.446 5.447 ( -9.328 14.208 18.938) 25.446 6.400 ( 5.850 -4.599 -4.915) 8.918 6.400 ( 5.850 4.599 -4.915) 8.918 6.520 ( -5.991 -5.324 -3.594) 8.784 6.520 ( -5.991 5.324 -3.594) 8.784 7.129 ( 5.332 -9.477 -4.931) 11.940 7.129 ( 5.332 9.477 -4.931) 11.940 7.242 ( -5.525 -7.357 -5.286) 10.611 7.242 ( -5.525 7.357 -5.286) 10.611 7.856 ( 14.815 -9.541 0.717) 17.636 7.856 ( 14.815 9.541 0.717) 17.636 8.045 ( -1.096 -9.572 -2.474) 9.947 8.045 ( -1.096 9.572 -2.474) 9.947 8.338 ( 2.046 -7.246 -5.495) 9.321 8.338 ( 2.046 7.246 -5.495) 9.321 8.428 ( -7.053 -15.871 -8.784) 19.463 8.428 ( -7.053 15.871 -8.784) 19.463 8.626 ( 3.268 -5.484 2.324) 6.793 8.626 ( 3.268 5.484 2.324) 6.793 8.756 ( -9.090 -9.349 -8.078) 15.339 8.756 ( -9.090 9.349 -8.078) 15.339 9.478 ( 2.542 -3.501 0.114) 4.328 9.478 ( 2.542 3.501 0.114) 4.328 9.558 ( -5.271 -1.598 -1.673) 5.756 9.558 ( -5.271 1.598 -1.673) 5.756 10.139 ( 10.811 -1.735 -5.923) 12.449 10.139 ( 10.811 1.735 -5.923) 12.449 10.312 ( -7.081 -1.587 -5.586) 9.158 10.312 ( -7.081 1.587 -5.586) 9.158 10.671 ( 15.502 -3.427 -5.605) 16.837 10.671 ( 15.502 3.427 -5.605) 16.837 10.959 ( -11.410 -1.017 -5.004) 12.501 10.959 ( -11.410 1.017 -5.004) 12.501 11.480 ( 2.012 -9.595 -7.838) 12.552 11.480 ( 2.012 9.595 -7.838) 12.552 11.557 ( -5.561 -12.000 -6.907) 14.921 11.557 ( -5.561 12.000 -6.907) 14.921 12.602 ( 3.431 -4.270 -2.779) 6.142 12.602 ( 3.431 4.270 -2.779) 6.142 12.678 ( -4.250 -3.870 -2.124) 6.128 12.678 ( -4.250 3.870 -2.124) 6.128 13.611 ( 5.136 -6.473 10.250) 13.166 13.611 ( 5.136 6.473 10.250) 13.166 13.709 ( -4.681 -4.489 9.712) 11.679 13.709 ( -4.681 4.489 9.712) 11.679 14.412 ( 4.102 -3.902 8.470) 10.188 14.412 ( 4.102 3.902 8.470) 10.188 14.495 ( -4.177 -3.756 8.938) 10.556 14.495 ( -4.177 3.756 8.938) 10.556 15.136 ( 8.856 -6.756 -1.890) 11.298 15.136 ( 8.856 6.756 -1.890) 11.298 15.309 ( -8.315 -5.610 -2.013) 10.231 15.309 ( -8.315 5.610 -2.013) 10.231 16.157 ( 3.003 -5.109 -10.882) 12.391 16.157 ( 3.003 5.109 -10.882) 12.391 16.216 ( -2.817 -7.248 -11.221) 13.652 16.216 ( -2.817 7.248 -11.221) 13.652 17.656 ( 3.179 -2.205 -2.966) 4.875 17.656 ( 3.179 2.205 -2.966) 4.875 17.724 ( -3.475 -2.794 -2.499) 5.111 17.724 ( -3.475 2.794 -2.499) 5.111 24.500 ( 3.777 -0.285 2.875) 4.755 24.500 ( 3.777 0.285 2.875) 4.755 24.564 ( -2.583 -0.744 2.502) 3.672 24.564 ( -2.583 0.744 2.502) 3.672 25.245 ( 5.329 -2.675 3.910) 7.131 25.245 ( 5.329 2.675 3.910) 7.131 25.353 ( -5.260 -3.314 6.553) 9.033 25.353 ( -5.260 3.314 6.553) 9.033 27.214 ( 2.246 -0.209 -11.611) 11.828 27.214 ( 2.246 0.209 -11.611) 11.828 27.265 ( -2.769 -0.565 -13.212) 13.511 27.265 ( -2.769 0.565 -13.212) 13.511 29.385 ( 4.077 -11.651 14.257) 18.858 29.385 ( 4.077 11.651 14.257) 18.858 29.471 ( -4.404 -14.348 13.119) 19.934 29.471 ( -4.404 14.348 13.119) 19.934 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 0.000 0.000 39.889) 39.889 4.052 ( 0.000 0.000 43.278) 43.278 4.238 ( 0.000 0.000 14.363) 14.363 4.651 ( 0.000 0.000 -7.447) 7.447 4.944 ( 0.000 0.000 0.962) 0.962 4.955 ( 0.000 0.000 21.904) 21.904 5.232 ( 0.000 0.000 -10.827) 10.827 5.337 ( 0.000 0.000 -25.477) 25.477 5.376 ( 0.000 0.000 4.342) 4.342 5.554 ( 0.000 0.000 -20.433) 20.433 5.966 ( 0.000 0.000 -26.760) 26.760 6.146 ( 0.000 0.000 -4.848) 4.848 6.232 ( 0.000 0.000 -25.787) 25.787 6.368 ( 0.000 0.000 -12.742) 12.742 7.377 ( 0.000 0.000 11.028) 11.028 7.387 ( 0.000 0.000 44.171) 44.171 7.476 ( 0.000 0.000 4.693) 4.693 8.158 ( 0.000 0.000 -21.242) 21.242 8.178 ( 0.000 0.000 3.142) 3.142 8.311 ( 0.000 0.000 7.058) 7.058 8.426 ( 0.000 0.000 9.012) 9.012 8.476 ( 0.000 0.000 5.592) 5.592 8.640 ( 0.000 0.000 -1.933) 1.933 8.762 ( 0.000 0.000 3.001) 3.001 8.813 ( 0.000 0.000 10.299) 10.299 8.935 ( 0.000 0.000 0.541) 0.541 9.126 ( 0.000 0.000 -3.346) 3.346 9.142 ( 0.000 0.000 -5.080) 5.080 9.250 ( 0.000 0.000 -6.782) 6.782 9.258 ( 0.000 0.000 18.110) 18.110 9.343 ( 0.000 0.000 -14.181) 14.181 9.539 ( 0.000 0.000 -1.752) 1.752 9.703 ( 0.000 0.000 1.623) 1.623 9.935 ( 0.000 0.000 -7.835) 7.835 10.292 ( 0.000 0.000 4.996) 4.996 10.724 ( 0.000 0.000 4.949) 4.949 10.772 ( 0.000 0.000 -6.663) 6.663 10.808 ( 0.000 0.000 2.437) 2.437 10.924 ( 0.000 0.000 -3.588) 3.588 11.008 ( 0.000 0.000 -3.518) 3.518 11.029 ( 0.000 0.000 -9.970) 9.970 11.041 ( 0.000 0.000 -8.123) 8.123 11.615 ( 0.000 0.000 -17.558) 17.558 12.005 ( 0.000 0.000 -17.708) 17.708 12.465 ( 0.000 0.000 5.029) 5.029 12.545 ( 0.000 0.000 2.960) 2.960 13.148 ( 0.000 0.000 -3.826) 3.826 13.191 ( 0.000 0.000 -1.974) 1.974 13.412 ( 0.000 0.000 5.982) 5.982 13.597 ( 0.000 0.000 6.874) 6.874 13.755 ( 0.000 0.000 -3.486) 3.486 13.995 ( 0.000 0.000 -4.875) 4.875 14.162 ( 0.000 0.000 -0.730) 0.730 14.208 ( 0.000 0.000 0.281) 0.281 14.432 ( 0.000 0.000 7.309) 7.309 14.750 ( 0.000 0.000 -7.956) 7.956 15.025 ( 0.000 0.000 8.567) 8.567 15.093 ( 0.000 0.000 2.765) 2.765 15.113 ( 0.000 0.000 5.238) 5.238 15.113 ( 0.000 0.000 1.006) 1.006 16.022 ( 0.000 0.000 2.238) 2.238 16.132 ( 0.000 0.000 -7.381) 7.381 16.552 ( 0.000 0.000 -3.376) 3.376 16.559 ( 0.000 0.000 -4.647) 4.647 17.203 ( 0.000 0.000 -5.528) 5.528 17.341 ( 0.000 0.000 -10.402) 10.402 18.169 ( 0.000 0.000 13.559) 13.559 18.662 ( 0.000 0.000 -7.680) 7.680 24.393 ( 0.000 0.000 2.025) 2.025 24.417 ( 0.000 0.000 0.696) 0.696 24.591 ( 0.000 0.000 5.909) 5.909 24.749 ( 0.000 0.000 -0.331) 0.331 25.322 ( 0.000 0.000 1.407) 1.407 25.348 ( 0.000 0.000 -0.913) 0.913 25.891 ( 0.000 0.000 5.838) 5.838 25.897 ( 0.000 0.000 10.496) 10.496 26.181 ( 0.000 0.000 -7.689) 7.689 26.220 ( 0.000 0.000 7.434) 7.434 26.490 ( 0.000 0.000 -18.117) 18.117 26.545 ( 0.000 0.000 -7.602) 7.602 29.231 ( 0.000 0.000 8.807) 8.807 29.330 ( 0.000 0.000 4.594) 4.594 30.364 ( 0.000 0.000 16.576) 16.576 30.916 ( 0.000 0.000 -10.351) 10.351 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( 6.599 0.000 38.446) 39.008 4.164 ( 10.658 0.000 40.576) 41.952 4.260 ( 1.666 0.000 16.266) 16.352 4.651 ( 0.005 0.000 -6.800) 6.800 4.872 ( -6.620 0.000 1.974) 6.908 4.878 ( -7.321 0.000 18.697) 20.079 5.234 ( 0.801 0.000 -14.212) 14.234 5.329 ( -2.151 0.000 0.372) 2.183 5.351 ( 0.345 0.000 -22.016) 22.019 5.546 ( -7.007 0.000 -7.552) 10.302 5.949 ( 8.160 0.000 -32.226) 33.243 6.140 ( -0.003 0.000 -7.389) 7.389 6.333 ( -3.390 0.000 -13.741) 14.153 6.392 ( 8.220 0.000 -26.815) 28.047 7.363 ( 1.990 0.000 35.609) 35.664 7.487 ( 10.476 0.000 11.014) 15.201 7.636 ( 11.849 0.000 14.252) 18.535 8.093 ( -9.112 0.000 14.404) 17.044 8.151 ( -1.479 0.000 -15.423) 15.494 8.310 ( -2.357 0.000 1.583) 2.839 8.386 ( -3.447 0.000 8.690) 9.349 8.473 ( 0.406 0.000 2.266) 2.302 8.577 ( -11.910 0.000 6.082) 13.373 8.603 ( -8.114 0.000 -0.202) 8.117 8.717 ( -1.367 0.000 1.701) 2.182 8.825 ( -8.100 0.000 -2.258) 8.409 9.021 ( -7.624 0.000 -8.684) 11.556 9.025 ( -9.784 0.000 -8.061) 12.677 9.370 ( 8.407 0.000 -4.060) 9.337 9.375 ( 7.503 0.000 15.889) 17.572 9.433 ( 6.023 0.000 -9.117) 10.927 9.580 ( 3.144 0.000 5.599) 6.421 9.795 ( 7.446 0.000 -0.012) 7.446 10.050 ( 9.074 0.000 -6.003) 10.880 10.256 ( -2.581 0.000 4.219) 4.946 10.705 ( -6.520 0.000 -5.873) 8.775 10.730 ( 0.609 0.000 4.751) 4.790 10.795 ( -1.207 0.000 2.685) 2.944 10.936 ( 1.128 0.000 -4.313) 4.458 10.980 ( 1.380 0.000 -4.750) 4.946 11.020 ( -0.894 0.000 -9.452) 9.494 11.155 ( 5.965 0.000 -6.645) 8.929 11.591 ( -0.920 0.000 -21.920) 21.939 11.957 ( -5.222 0.000 -22.316) 22.918 12.472 ( 0.746 0.000 4.961) 5.017 12.537 ( -0.767 0.000 3.301) 3.389 13.111 ( 0.306 0.000 1.552) 1.581 13.252 ( 1.833 0.000 -2.314) 2.953 13.431 ( 1.914 0.000 6.399) 6.679 13.595 ( -0.689 0.000 8.708) 8.735 13.755 ( 0.615 0.000 -5.681) 5.714 13.964 ( -3.003 0.000 -5.197) 6.002 14.194 ( 3.388 0.000 0.723) 3.464 14.284 ( 6.872 0.000 -2.017) 7.162 14.445 ( 1.557 0.000 6.826) 7.001 14.759 ( 0.845 0.000 -8.246) 8.289 15.029 ( -6.436 0.000 2.836) 7.033 15.037 ( 1.193 0.000 8.303) 8.389 15.055 ( -5.329 0.000 0.829) 5.393 15.108 ( -0.488 0.000 5.616) 5.637 16.021 ( 0.039 0.000 1.526) 1.526 16.111 ( -1.957 0.000 -6.228) 6.528 16.553 ( 0.161 0.000 -3.499) 3.502 16.559 ( 0.025 0.000 -4.527) 4.527 17.248 ( 4.323 0.000 -5.723) 7.172 17.374 ( 2.756 0.000 -10.387) 10.746 18.165 ( 0.062 0.000 12.762) 12.762 18.573 ( -8.471 0.000 -4.859) 9.766 24.432 ( 3.755 0.000 1.928) 4.221 24.441 ( 2.264 0.000 1.100) 2.517 24.576 ( -1.392 0.000 5.258) 5.439 24.717 ( -3.081 0.000 -0.183) 3.087 25.360 ( 4.017 0.000 2.290) 4.624 25.439 ( 7.754 0.000 -2.061) 8.023 25.874 ( -1.526 0.000 8.313) 8.452 25.905 ( 1.442 0.000 5.521) 5.707 26.099 ( -4.735 0.000 0.507) 4.762 26.305 ( 5.052 0.000 -0.906) 5.132 26.404 ( -8.545 0.000 -16.971) 19.001 26.527 ( -1.785 0.000 -7.141) 7.361 29.240 ( 0.932 0.000 8.632) 8.683 29.321 ( -0.950 0.000 5.321) 5.405 30.407 ( 4.377 0.000 14.079) 14.744 30.853 ( -6.144 0.000 -7.452) 9.658 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.140 ( 8.658 0.000 33.726) 34.820 4.262 ( -2.736 0.000 24.105) 24.260 4.423 ( 14.436 0.000 32.468) 35.532 4.660 ( 1.459 0.000 -4.784) 5.001 4.687 ( -11.936 0.000 21.701) 24.767 4.733 ( -6.181 0.000 -0.235) 6.186 5.271 ( 2.780 0.000 -16.789) 17.017 5.316 ( 0.924 0.000 -1.478) 1.743 5.328 ( -2.500 0.000 -18.747) 18.913 5.383 ( -6.476 0.000 -5.658) 8.599 6.169 ( 3.078 0.000 -12.231) 12.613 6.210 ( 14.536 0.000 -29.867) 33.216 6.249 ( -4.706 0.000 -14.498) 15.243 6.424 ( -5.556 0.000 -29.008) 29.535 7.508 ( 12.559 0.000 34.056) 36.297 7.749 ( 15.220 0.000 9.922) 18.168 7.814 ( -16.015 0.000 25.173) 29.836 7.889 ( 11.738 0.000 16.260) 20.054 8.032 ( -11.776 0.000 3.084) 12.173 8.136 ( -12.377 0.000 7.800) 14.630 8.347 ( 0.970 0.000 0.275) 1.008 8.426 ( -6.905 0.000 -0.713) 6.942 8.501 ( 2.618 0.000 1.934) 3.255 8.539 ( 2.937 0.000 -4.816) 5.640 8.677 ( -2.944 0.000 -5.383) 6.136 8.768 ( 4.539 0.000 -7.282) 8.581 8.812 ( -11.316 0.000 -10.411) 15.377 8.878 ( -6.592 0.000 -10.275) 12.208 9.499 ( 4.061 0.000 -3.951) 5.666 9.518 ( 2.045 0.000 -5.616) 5.976 9.523 ( 6.912 0.000 15.701) 17.155 9.607 ( -1.165 0.000 14.210) 14.258 9.943 ( 7.339 0.000 -1.471) 7.485 10.080 ( -5.903 0.000 0.579) 5.931 10.338 ( 10.234 0.000 -2.899) 10.637 10.539 ( -9.780 0.000 -4.827) 10.906 10.746 ( 0.991 0.000 4.182) 4.298 10.769 ( -1.318 0.000 3.371) 3.620 10.964 ( 1.627 0.000 -6.091) 6.305 10.996 ( -1.536 0.000 -8.032) 8.177 11.065 ( 6.460 0.000 -5.070) 8.212 11.182 ( -3.727 0.000 -4.407) 5.771 11.648 ( 6.897 0.000 -29.038) 29.846 11.812 ( -8.739 0.000 -28.378) 29.693 12.492 ( 1.211 0.000 4.664) 4.818 12.517 ( -1.223 0.000 4.038) 4.219 13.163 ( 4.002 0.000 3.633) 5.405 13.237 ( -2.920 0.000 1.139) 3.135 13.485 ( 3.396 0.000 7.516) 8.248 13.554 ( -3.302 0.000 9.024) 9.609 13.799 ( 3.802 0.000 -6.777) 7.771 13.886 ( -4.607 0.000 -5.955) 7.529 14.285 ( 5.319 0.000 2.435) 5.849 14.362 ( -1.196 0.000 1.876) 2.225 14.560 ( 10.864 0.000 -0.815) 10.895 14.753 ( -4.617 0.000 -8.526) 9.695 14.889 ( -3.811 0.000 3.831) 5.404 14.937 ( -5.732 0.000 0.170) 5.734 15.066 ( 1.554 0.000 7.559) 7.718 15.093 ( -1.129 0.000 6.537) 6.633 16.031 ( 1.121 0.000 -0.537) 1.243 16.066 ( -2.323 0.000 -3.492) 4.194 16.557 ( 0.168 0.000 -3.818) 3.822 16.559 ( -0.053 0.000 -4.211) 4.211 17.348 ( 5.001 0.000 -6.801) 8.442 17.408 ( -0.422 0.000 -9.183) 9.193 18.208 ( 5.268 0.000 8.895) 10.338 18.373 ( -10.624 0.000 1.734) 10.764 24.491 ( 2.618 0.000 2.447) 3.583 24.525 ( 4.152 0.000 2.760) 4.986 24.543 ( -0.797 0.000 2.471) 2.596 24.635 ( -5.049 0.000 0.340) 5.061 25.463 ( 5.873 0.000 3.816) 7.004 25.544 ( -0.184 0.000 1.998) 2.006 25.924 ( 9.157 0.000 -3.385) 9.762 25.947 ( 2.797 0.000 4.577) 5.364 26.013 ( -3.952 0.000 2.992) 4.957 26.176 ( -13.818 0.000 -13.062) 19.015 26.399 ( 4.478 0.000 -3.768) 5.852 26.477 ( -3.339 0.000 -5.819) 6.709 29.265 ( 1.515 0.000 8.011) 8.153 29.296 ( -1.527 0.000 6.805) 6.974 30.529 ( 7.821 0.000 7.669) 10.953 30.698 ( -8.896 0.000 -0.403) 8.905 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( 0.000 7.880 41.301) 42.046 4.174 ( 0.000 23.383 37.575) 44.257 4.449 ( 0.000 18.091 13.250) 22.424 4.843 ( 0.000 15.934 -2.410) 16.115 4.959 ( 0.000 2.688 17.133) 17.343 5.143 ( 0.000 17.503 2.749) 17.718 5.341 ( 0.000 7.219 -10.819) 13.006 5.387 ( 0.000 5.634 -2.659) 6.230 5.551 ( 0.000 15.216 -15.722) 21.879 5.595 ( 0.000 4.894 -17.218) 17.900 6.016 ( 0.000 4.655 -26.755) 27.157 6.177 ( 0.000 2.350 -9.438) 9.726 6.220 ( 0.000 -0.205 -18.781) 18.782 6.464 ( 0.000 9.383 -10.963) 14.430 7.202 ( 0.000 -10.689 9.019) 13.986 7.402 ( 0.000 0.990 37.834) 37.847 7.597 ( 0.000 5.827 5.752) 8.188 7.939 ( 0.000 -16.423 4.048) 16.914 8.113 ( 0.000 -4.863 -15.755) 16.488 8.169 ( 0.000 -11.343 4.426) 12.176 8.328 ( 0.000 -6.516 5.609) 8.598 8.589 ( 0.000 -5.730 -6.828) 8.913 8.651 ( 0.000 -6.635 4.294) 7.903 8.694 ( 0.000 7.887 8.564) 11.643 8.725 ( 0.000 -4.005 2.668) 4.813 9.011 ( 0.000 1.094 2.051) 2.324 9.038 ( 0.000 -5.799 -4.104) 7.104 9.071 ( 0.000 -9.218 -12.323) 15.390 9.144 ( 0.000 -0.130 -3.927) 3.929 9.311 ( 0.000 2.946 -1.923) 3.518 9.405 ( 0.000 8.964 16.301) 18.603 9.599 ( 0.000 5.031 0.290) 5.040 9.927 ( 0.000 2.991 -3.494) 4.600 9.956 ( 0.000 11.813 -7.178) 13.822 10.267 ( 0.000 -2.143 4.989) 5.430 10.652 ( 0.000 -8.279 -2.093) 8.540 10.738 ( 0.000 -3.555 0.374) 3.575 10.786 ( 0.000 -3.323 4.164) 5.327 10.919 ( 0.000 1.004 -3.012) 3.175 10.965 ( 0.000 -1.769 -6.571) 6.805 11.024 ( 0.000 -1.076 -8.156) 8.227 11.067 ( 0.000 2.083 -9.047) 9.284 11.626 ( 0.000 0.811 -15.876) 15.897 11.996 ( 0.000 -0.449 -18.997) 19.002 12.500 ( 0.000 2.366 3.517) 4.238 12.537 ( 0.000 -1.097 2.946) 3.144 13.089 ( 0.000 -5.108 -1.135) 5.233 13.123 ( 0.000 -6.520 -1.659) 6.727 13.441 ( 0.000 2.516 5.717) 6.246 13.639 ( 0.000 3.739 6.529) 7.524 13.732 ( 0.000 -0.845 -0.605) 1.039 14.031 ( 0.000 2.753 -4.702) 5.448 14.193 ( 0.000 3.005 0.294) 3.020 14.250 ( 0.000 3.817 0.891) 3.919 14.486 ( 0.000 4.745 4.743) 6.710 14.700 ( 0.000 -4.201 -3.315) 5.352 14.925 ( 0.000 -2.793 0.564) 2.849 14.968 ( 0.000 -6.775 1.596) 6.960 15.243 ( 0.000 7.831 5.309) 9.461 15.245 ( 0.000 5.418 4.302) 6.919 16.001 ( 0.000 -2.113 1.806) 2.780 16.093 ( 0.000 -3.482 -5.551) 6.552 16.472 ( 0.000 -6.763 -3.223) 7.491 16.516 ( 0.000 -3.919 -6.480) 7.573 17.253 ( 0.000 4.118 -5.483) 6.857 17.372 ( 0.000 2.746 -9.688) 10.069 18.102 ( 0.000 -6.120 11.928) 13.407 18.524 ( 0.000 -12.157 -5.677) 13.417 24.397 ( 0.000 0.415 1.989) 2.032 24.421 ( 0.000 0.379 0.717) 0.811 24.581 ( 0.000 -0.588 5.271) 5.304 24.733 ( 0.000 -1.419 -0.662) 1.566 25.283 ( 0.000 -3.264 1.207) 3.480 25.300 ( 0.000 -3.792 -0.506) 3.826 25.861 ( 0.000 -3.299 10.707) 11.204 25.975 ( 0.000 2.056 4.984) 5.392 26.233 ( 0.000 7.426 3.612) 8.258 26.293 ( 0.000 10.054 -7.528) 12.560 26.612 ( 0.000 9.422 -15.034) 17.743 26.651 ( 0.000 9.157 -7.755) 12.000 29.247 ( 0.000 1.671 8.549) 8.711 29.328 ( 0.000 -0.058 5.133) 5.133 30.292 ( 0.000 -6.717 16.047) 17.396 30.796 ( 0.000 -11.057 -8.238) 13.788 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.162 ( 4.816 10.775 37.284) 39.107 4.280 ( 8.342 17.157 36.238) 40.953 4.463 ( 1.208 16.809 15.077) 22.612 4.832 ( -3.944 8.388 12.474) 15.540 4.896 ( -2.790 11.639 -0.003) 11.969 5.095 ( -4.695 18.438 3.660) 19.375 5.346 ( -0.813 3.858 -4.624) 6.077 5.356 ( 0.034 9.755 -10.258) 14.156 5.532 ( -3.036 12.070 -13.047) 18.032 5.589 ( -4.169 6.148 -8.668) 11.415 5.972 ( 5.552 2.986 -29.049) 29.725 6.194 ( 2.400 4.786 -10.027) 11.367 6.399 ( 4.872 2.417 -17.127) 17.970 6.409 ( -0.701 5.994 -18.618) 19.571 7.301 ( 9.048 -8.084 10.424) 15.996 7.425 ( 3.569 0.332 35.513) 35.694 7.698 ( 9.314 1.378 6.472) 11.425 7.920 ( -3.459 -13.080 7.885) 15.660 8.071 ( -3.384 -7.124 -7.223) 10.695 8.198 ( -1.067 -7.246 4.779) 8.746 8.261 ( -3.118 -11.240 1.710) 11.789 8.448 ( -11.655 -4.839 0.904) 12.652 8.537 ( -5.380 -3.826 -2.142) 6.941 8.620 ( -5.458 -0.301 -0.402) 5.481 8.711 ( -7.645 4.249 4.528) 9.849 8.948 ( -9.647 -2.399 -4.725) 11.006 9.008 ( 1.942 4.845 -4.567) 6.936 9.036 ( 0.250 2.026 -7.075) 7.364 9.247 ( 8.279 -6.752 0.296) 10.687 9.372 ( 5.331 0.146 -1.163) 5.458 9.482 ( 5.020 4.525 10.493) 12.481 9.625 ( 2.598 3.413 3.244) 5.378 9.936 ( 0.219 8.401 -1.473) 8.532 10.085 ( 9.380 3.819 -6.141) 11.844 10.228 ( -2.427 -2.406 3.909) 5.192 10.593 ( -5.289 -8.609 -2.238) 10.348 10.723 ( -0.381 -2.598 2.912) 3.921 10.793 ( -0.348 -1.594 1.540) 2.244 10.932 ( 1.523 1.015 -4.274) 4.649 10.960 ( 0.939 -0.551 -6.182) 6.278 11.051 ( 0.047 0.861 -8.359) 8.403 11.122 ( 5.364 -2.216 -7.559) 9.530 11.597 ( -1.821 0.109 -18.384) 18.474 11.939 ( -5.748 -1.156 -21.335) 22.126 12.493 ( -0.203 0.913 3.575) 3.695 12.536 ( -0.467 -0.092 1.877) 1.936 13.071 ( 0.619 -3.828 1.637) 4.209 13.165 ( 1.462 -7.905 -1.475) 8.173 13.460 ( 1.973 2.546 6.466) 7.224 13.641 ( -0.921 4.041 9.739) 10.584 13.741 ( 1.901 -0.378 -4.204) 4.629 14.001 ( -3.041 2.902 -4.876) 6.438 14.222 ( 3.047 2.563 1.654) 4.312 14.315 ( 6.335 2.624 -1.174) 6.957 14.477 ( -1.011 2.902 4.566) 5.504 14.711 ( 0.556 -3.375 -5.061) 6.108 14.893 ( -2.816 -5.608 2.669) 6.819 14.961 ( -0.905 -2.211 0.573) 2.457 15.213 ( -2.579 5.392 5.432) 8.077 15.225 ( -1.799 8.153 4.604) 9.535 16.002 ( 0.182 -1.948 1.413) 2.414 16.076 ( -1.594 -3.137 -4.481) 5.698 16.482 ( 0.807 -6.296 -3.747) 7.371 16.514 ( -0.169 -4.126 -6.275) 7.512 17.290 ( 3.587 3.512 -5.506) 7.451 17.402 ( 2.429 2.395 -9.675) 10.259 18.094 ( -0.242 -6.314 11.252) 12.905 18.446 ( -7.447 -11.205 -3.457) 13.891 24.436 ( 3.680 0.344 1.924) 4.167 24.448 ( 2.416 0.590 1.031) 2.692 24.571 ( -0.962 -0.235 4.738) 4.840 24.705 ( -2.796 -1.113 -0.362) 3.031 25.318 ( 3.733 -3.555 1.917) 5.500 25.372 ( 6.222 -4.987 -0.979) 8.034 25.828 ( -2.703 -3.617 9.189) 10.239 25.971 ( -0.867 -0.976 4.178) 4.377 26.190 ( -2.178 11.782 1.105) 12.033 26.326 ( 0.928 7.563 -7.617) 10.774 26.572 ( -3.071 11.094 -11.844) 16.516 26.636 ( -1.516 9.341 -7.413) 12.021 29.254 ( 0.764 1.505 8.443) 8.610 29.321 ( -0.756 0.136 5.755) 5.806 30.332 ( 4.020 -7.043 13.756) 15.968 30.739 ( -5.564 -10.515 -5.689) 13.186 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( 8.584 10.966 31.102) 34.078 4.414 ( 0.805 12.608 24.356) 27.437 4.504 ( 5.428 11.757 25.332) 28.450 4.667 ( -9.782 2.441 19.566) 22.011 4.910 ( 2.333 20.565 -3.032) 20.918 4.986 ( -5.414 20.152 1.694) 20.935 5.334 ( 0.182 4.371 -2.981) 5.294 5.357 ( -1.588 5.146 -6.822) 8.692 5.463 ( 0.193 10.596 -9.352) 14.134 5.516 ( -3.565 12.911 -12.676) 18.441 6.141 ( 8.112 1.231 -17.550) 19.373 6.283 ( -6.759 4.146 -13.937) 16.035 6.312 ( 9.273 6.580 -22.309) 25.039 6.464 ( -3.507 3.396 -26.511) 26.956 7.522 ( 12.747 0.211 25.485) 28.496 7.571 ( 11.341 -10.269 16.672) 22.628 7.766 ( -11.079 -6.994 21.126) 24.859 7.827 ( -9.447 -9.373 10.646) 17.043 7.980 ( 7.545 1.976 3.404) 8.510 8.159 ( -3.203 -5.413 5.962) 8.667 8.247 ( -2.296 -6.591 -7.382) 10.159 8.274 ( -4.956 -13.296 -3.519) 14.620 8.451 ( -1.808 -0.267 -0.337) 1.858 8.495 ( -4.334 -4.619 -1.791) 6.583 8.625 ( 0.749 3.935 -3.858) 5.562 8.743 ( -9.601 -1.167 -7.436) 12.200 9.042 ( 1.123 12.083 -4.286) 12.870 9.051 ( 0.385 8.958 -6.086) 10.837 9.406 ( 6.241 -5.603 2.312) 8.700 9.453 ( 1.600 -3.023 0.201) 3.426 9.581 ( 5.198 1.939 8.076) 9.799 9.653 ( -0.998 2.336 7.454) 7.875 9.960 ( 2.970 1.619 -0.442) 3.412 10.063 ( -6.703 -2.119 0.084) 7.031 10.339 ( 8.607 0.838 -3.225) 9.230 10.478 ( -6.119 -4.164 -3.093) 8.021 10.734 ( 1.426 -1.745 4.028) 4.615 10.769 ( -1.818 -0.523 2.989) 3.537 10.969 ( 1.819 1.085 -7.308) 7.608 10.990 ( 0.426 0.006 -9.197) 9.207 11.071 ( 3.688 -0.345 -4.470) 5.805 11.160 ( -2.741 -2.378 -4.641) 5.892 11.626 ( 5.819 -2.270 -24.222) 25.014 11.787 ( -9.047 -2.329 -24.703) 26.411 12.500 ( 0.822 0.421 2.925) 3.067 12.520 ( -1.045 0.182 1.973) 2.240 13.111 ( 2.773 -4.898 2.440) 6.135 13.160 ( -1.770 -7.039 0.618) 7.284 13.516 ( 3.553 2.673 7.911) 9.075 13.590 ( -3.694 3.035 9.335) 10.488 13.815 ( 5.036 1.726 -4.965) 7.279 13.918 ( -5.103 2.661 -4.994) 7.620 14.309 ( 5.403 1.978 3.194) 6.581 14.401 ( -2.481 3.311 2.922) 5.065 14.508 ( 8.101 -3.847 -2.644) 9.350 14.669 ( -6.083 -5.094 -6.599) 10.320 14.866 ( 1.381 -1.056 3.873) 4.245 14.922 ( -3.127 1.564 0.686) 3.563 15.174 ( -0.716 5.600 5.692) 8.017 15.187 ( -1.684 7.138 4.815) 8.773 16.012 ( 0.957 -1.864 0.041) 2.095 16.040 ( -1.819 -2.369 -2.194) 3.706 16.498 ( 0.732 -5.391 -4.732) 7.211 16.509 ( -0.401 -4.638 -5.652) 7.322 17.376 ( 4.457 2.424 -6.307) 8.094 17.430 ( -0.464 1.989 -8.511) 8.752 18.127 ( 4.399 -7.229 7.928) 11.596 18.269 ( -9.338 -9.105 1.872) 13.176 24.500 ( 2.571 0.768 2.198) 3.468 24.526 ( 4.691 0.175 2.183) 5.177 24.545 ( -1.219 0.300 2.762) 3.034 24.629 ( -4.704 -0.493 0.390) 4.746 25.413 ( 5.270 -4.162 3.255) 7.462 25.471 ( 1.289 -5.524 1.545) 5.879 25.810 ( 2.708 -5.891 3.497) 7.367 25.912 ( -5.329 -6.569 1.916) 8.673 26.192 ( 2.732 14.971 -2.388) 15.405 26.280 ( -5.073 10.807 -8.610) 14.720 26.550 ( 1.331 11.418 -6.250) 13.085 26.595 ( -2.527 9.947 -6.378) 12.084 29.275 ( 1.255 1.093 7.995) 8.167 29.300 ( -1.253 0.589 7.015) 7.150 30.444 ( 7.171 -7.955 7.890) 13.303 30.598 ( -8.111 -9.258 0.587) 12.323 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( 0.000 15.536 36.681) 39.835 4.766 ( 0.000 30.197 33.636) 45.202 4.867 ( 0.000 18.457 8.544) 20.339 5.005 ( 0.000 5.096 22.599) 23.166 5.295 ( 0.000 20.477 -8.241) 22.073 5.434 ( 0.000 1.756 -9.796) 9.952 5.546 ( 0.000 18.296 13.475) 22.723 5.615 ( 0.000 15.563 -3.547) 15.962 5.776 ( 0.000 10.756 -5.802) 12.221 5.909 ( 0.000 15.903 -2.952) 16.175 6.160 ( 0.000 -2.210 -25.464) 25.560 6.162 ( 0.000 9.874 -26.085) 27.891 6.357 ( 0.000 13.806 -3.507) 14.244 6.753 ( 0.000 16.921 -8.357) 18.872 7.000 ( 0.000 -7.167 4.429) 8.425 7.388 ( 0.000 -3.458 23.115) 23.372 7.605 ( 0.000 -14.067 -2.177) 14.234 7.683 ( 0.000 1.903 1.544) 2.450 7.925 ( 0.000 -10.761 -0.652) 10.781 7.968 ( 0.000 -9.381 -10.849) 14.342 8.151 ( 0.000 -7.286 7.275) 10.296 8.323 ( 0.000 -17.264 -7.176) 18.696 8.535 ( 0.000 -1.009 3.134) 3.293 8.647 ( 0.000 -1.996 -0.640) 2.096 8.838 ( 0.000 -8.335 -9.670) 12.767 8.859 ( 0.000 3.681 8.644) 9.395 8.935 ( 0.000 -4.017 -8.493) 9.395 9.140 ( 0.000 1.057 -1.773) 2.064 9.172 ( 0.000 7.748 -2.391) 8.108 9.372 ( 0.000 1.526 1.317) 2.015 9.527 ( 0.000 2.261 11.383) 11.605 9.728 ( 0.000 6.269 4.180) 7.535 9.938 ( 0.000 0.317 -1.897) 1.924 10.176 ( 0.000 2.861 -11.132) 11.493 10.220 ( 0.000 -1.658 4.420) 4.720 10.402 ( 0.000 -11.765 1.051) 11.812 10.594 ( 0.000 -9.391 4.273) 10.318 10.656 ( 0.000 -7.594 5.142) 9.171 10.966 ( 0.000 0.813 -8.058) 8.099 10.972 ( 0.000 1.727 -6.948) 7.159 11.052 ( 0.000 5.835 -4.087) 7.124 11.096 ( 0.000 0.664 -9.611) 9.634 11.629 ( 0.000 -1.173 -13.334) 13.385 11.961 ( 0.000 -4.447 -20.712) 21.184 12.490 ( 0.000 -3.072 3.251) 4.473 12.533 ( 0.000 0.888 1.146) 1.450 12.942 ( 0.000 -9.455 -1.371) 9.554 12.964 ( 0.000 -6.247 0.468) 6.264 13.513 ( 0.000 4.372 6.501) 7.834 13.718 ( 0.000 3.040 1.749) 3.507 13.778 ( 0.000 5.477 8.415) 10.040 14.057 ( 0.000 -1.188 1.197) 1.686 14.276 ( 0.000 4.309 3.221) 5.380 14.357 ( 0.000 6.064 1.781) 6.320 14.600 ( 0.000 5.319 1.446) 5.512 14.652 ( 0.000 1.133 -1.895) 2.208 14.840 ( 0.000 -4.921 0.811) 4.987 14.926 ( 0.000 2.212 -5.578) 6.001 15.337 ( 0.000 3.559 4.156) 5.471 15.376 ( 0.000 4.714 4.958) 6.841 15.936 ( 0.000 -3.831 0.198) 3.836 16.006 ( 0.000 -4.230 -2.147) 4.743 16.309 ( 0.000 -8.133 -3.163) 8.726 16.404 ( 0.000 -6.743 -9.815) 11.908 17.349 ( 0.000 4.728 -4.813) 6.747 17.443 ( 0.000 3.823 -7.972) 8.841 17.939 ( 0.000 -8.696 7.870) 11.729 18.220 ( 0.000 -15.371 -2.865) 15.635 24.409 ( 0.000 0.656 1.872) 1.983 24.430 ( 0.000 0.470 0.782) 0.912 24.579 ( 0.000 0.550 3.608) 3.650 24.696 ( 0.000 -1.951 -0.935) 2.164 25.211 ( 0.000 -3.109 1.262) 3.356 25.226 ( 0.000 -2.796 0.175) 2.802 25.771 ( 0.000 -4.816 10.655) 11.693 25.897 ( 0.000 -6.495 5.990) 8.836 26.555 ( 0.000 13.841 -7.340) 15.666 26.557 ( 0.000 18.856 -1.899) 18.951 26.817 ( 0.000 9.256 -13.058) 16.006 26.872 ( 0.000 10.758 -7.857) 13.321 29.311 ( 0.000 4.782 7.746) 9.103 29.340 ( 0.000 1.584 6.628) 6.815 30.098 ( 0.000 -11.353 14.675) 18.554 30.487 ( 0.000 -17.584 -3.573) 17.944 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( 1.955 13.035 31.794) 34.418 4.779 ( -2.311 19.732 20.296) 28.401 4.835 ( 0.336 20.249 18.350) 27.329 4.938 ( -5.881 7.084 19.269) 21.355 5.333 ( 2.883 20.544 -2.217) 20.864 5.440 ( -1.376 4.514 -6.746) 8.233 5.523 ( -1.728 18.880 10.529) 21.687 5.620 ( 0.618 15.169 -1.427) 15.249 5.737 ( -2.679 12.961 -0.762) 13.257 5.852 ( -3.274 13.512 -3.637) 14.371 6.126 ( 5.218 11.439 -27.840) 30.547 6.315 ( 5.618 5.614 -17.282) 19.020 6.456 ( 7.616 6.550 -10.515) 14.542 6.644 ( -7.484 13.472 -9.444) 18.075 7.151 ( 11.025 -3.476 2.666) 11.864 7.420 ( 2.912 -3.425 24.355) 24.767 7.596 ( 1.368 -10.528 -3.056) 11.048 7.700 ( -1.198 -5.425 3.719) 6.686 7.913 ( 0.146 -7.287 -2.799) 7.808 7.973 ( -0.594 -13.338 -8.715) 15.944 8.115 ( -1.904 -1.613 7.509) 7.913 8.270 ( -7.115 -12.276 -3.042) 14.511 8.436 ( -3.471 -1.668 -5.539) 6.746 8.631 ( -4.684 0.301 1.931) 5.075 8.738 ( -5.689 -3.080 -4.917) 8.126 8.877 ( -5.519 -1.605 1.022) 5.838 9.022 ( 6.957 -0.052 -5.374) 8.791 9.079 ( 1.437 -5.384 1.474) 5.764 9.219 ( 3.538 5.955 1.091) 7.012 9.432 ( 4.458 3.562 0.012) 5.706 9.512 ( -0.439 -1.296 6.085) 6.237 9.712 ( -1.351 3.835 3.152) 5.144 10.065 ( 4.298 4.469 2.656) 6.746 10.122 ( -6.264 -5.309 -5.599) 9.938 10.209 ( 5.759 2.623 -1.558) 6.517 10.417 ( 1.205 -5.584 0.213) 5.716 10.600 ( 0.891 -8.674 4.998) 10.050 10.692 ( 2.711 -7.343 3.424) 8.544 10.973 ( 0.362 1.379 -5.345) 5.532 10.982 ( 1.535 0.345 -9.394) 9.525 11.049 ( -0.694 3.219 -5.088) 6.060 11.115 ( 1.591 1.103 -8.158) 8.385 11.575 ( -4.312 -2.586 -13.858) 14.742 11.886 ( -7.363 -5.172 -20.081) 22.005 12.484 ( 0.144 -1.828 2.100) 2.788 12.534 ( -0.398 0.302 0.128) 0.515 12.951 ( 0.740 -8.938 -1.119) 9.038 12.966 ( 0.205 -8.271 0.075) 8.273 13.529 ( 1.807 3.988 7.751) 8.902 13.744 ( -2.728 5.572 10.963) 12.597 13.771 ( 4.098 2.930 -1.240) 5.188 14.033 ( -2.543 -0.838 0.671) 2.761 14.297 ( 2.464 4.445 2.789) 5.797 14.386 ( 2.909 4.204 0.474) 5.134 14.553 ( -3.320 4.509 1.026) 5.693 14.677 ( -0.825 -0.708 -3.674) 3.831 14.818 ( 1.027 -0.048 2.651) 2.843 14.974 ( 3.036 2.606 -4.182) 5.788 15.298 ( -3.114 2.779 5.805) 7.150 15.363 ( -1.757 4.861 3.705) 6.360 15.942 ( 0.638 -3.399 0.406) 3.482 15.999 ( -0.698 -3.667 -1.465) 4.009 16.322 ( 1.193 -8.328 -4.203) 9.404 16.396 ( -0.761 -7.090 -9.443) 11.834 17.375 ( 2.572 4.337 -4.745) 6.924 17.464 ( 1.693 3.383 -7.967) 8.819 17.929 ( -0.640 -8.750 7.483) 11.531 18.166 ( -5.222 -14.179 -1.681) 15.203 24.446 ( 3.530 0.624 1.902) 4.058 24.463 ( 2.880 0.768 0.957) 3.131 24.575 ( -0.448 0.697 3.381) 3.481 24.676 ( -1.983 -1.455 -0.486) 2.506 25.240 ( 3.165 -3.308 1.767) 4.907 25.278 ( 4.653 -3.539 0.029) 5.846 25.732 ( -3.626 -5.242 9.357) 11.321 25.860 ( -3.817 -7.202 4.872) 9.496 26.538 ( -0.344 17.589 -4.009) 18.043 26.579 ( 0.673 15.090 -6.501) 16.445 26.802 ( -1.077 10.173 -10.951) 14.986 26.859 ( -1.292 10.753 -7.639) 13.253 29.313 ( 0.246 4.353 7.866) 8.994 29.339 ( -0.172 2.061 6.929) 7.231 30.129 ( 3.114 -11.875 12.888) 17.799 30.444 ( -4.240 -16.866 -1.768) 17.480 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.478 ( 7.111 8.387 22.915) 25.417 4.650 ( -9.296 6.952 15.043) 19.001 4.857 ( -1.058 11.611 13.403) 17.764 4.860 ( 0.199 18.283 19.382) 26.646 5.343 ( -0.304 12.858 5.617) 14.035 5.383 ( -3.535 16.208 9.787) 19.261 5.546 ( 3.887 18.732 -0.326) 19.134 5.610 ( -1.968 18.664 1.542) 18.831 5.741 ( 2.265 16.711 -1.486) 16.929 5.794 ( -2.898 13.773 -1.372) 14.141 6.283 ( 9.038 12.050 -20.621) 25.537 6.425 ( 1.735 6.713 -20.210) 21.366 6.477 ( -2.266 9.640 -7.995) 12.727 6.553 ( -2.146 5.888 -20.203) 21.153 7.362 ( 9.913 -7.197 6.697) 13.961 7.496 ( 1.628 -7.810 11.169) 13.726 7.581 ( -1.576 -3.849 15.951) 16.484 7.666 ( -2.245 -7.004 6.556) 9.853 7.923 ( 1.291 -9.795 -8.626) 13.115 7.987 ( -1.378 -7.736 -8.779) 11.782 8.048 ( 0.025 -5.794 1.499) 5.985 8.147 ( -5.247 -0.468 -2.771) 5.952 8.420 ( 1.876 -1.793 -3.305) 4.202 8.507 ( -6.358 1.989 -0.837) 6.714 8.660 ( -0.908 -0.487 -0.939) 1.394 8.725 ( -7.029 0.199 -0.949) 7.095 9.112 ( 5.170 -4.347 2.853) 7.333 9.182 ( -0.024 -0.793 3.149) 3.247 9.322 ( 8.925 -2.323 -0.584) 9.240 9.465 ( -3.208 3.710 -1.020) 5.010 9.540 ( 4.333 -3.980 0.961) 5.961 9.654 ( -5.317 -3.984 -1.395) 6.788 10.015 ( -1.563 0.726 5.024) 5.312 10.046 ( -3.096 5.995 0.771) 6.791 10.386 ( 6.538 3.488 -3.214) 8.078 10.436 ( 0.169 0.359 -1.446) 1.499 10.651 ( 4.686 -6.519 5.990) 10.017 10.722 ( -0.772 -4.030 3.520) 5.407 10.984 ( 1.033 -0.902 -7.470) 7.594 11.017 ( -1.358 -3.459 -6.703) 7.664 11.036 ( 2.856 3.018 -7.079) 8.208 11.110 ( -3.004 -0.564 -5.648) 6.421 11.547 ( 3.540 -5.388 -17.236) 18.402 11.701 ( -10.331 -6.376 -19.067) 22.604 12.499 ( 1.090 -0.764 0.297) 1.364 12.519 ( -0.921 0.094 -0.384) 1.002 12.965 ( 0.507 -9.302 -0.889) 9.358 12.969 ( 0.031 -9.910 -0.584) 9.928 13.584 ( 3.713 3.841 9.146) 10.592 13.668 ( -4.474 4.390 9.559) 11.431 13.867 ( 5.073 2.666 -0.369) 5.743 13.962 ( -4.435 0.736 -0.095) 4.496 14.372 ( 4.765 4.219 1.520) 6.543 14.452 ( -0.040 0.921 -1.540) 1.794 14.495 ( 0.981 4.031 1.064) 4.283 14.596 ( -5.868 -1.837 -3.080) 6.877 14.904 ( 5.959 4.457 2.628) 7.892 14.995 ( -2.029 5.083 -1.106) 5.584 15.258 ( 0.312 2.052 5.346) 5.734 15.307 ( -3.514 3.822 3.313) 6.159 15.959 ( 1.054 -2.725 0.461) 2.958 15.981 ( -1.103 -2.790 -0.240) 3.010 16.350 ( 1.484 -8.333 -6.320) 10.563 16.376 ( -1.201 -7.812 -8.251) 11.425 17.438 ( 3.412 3.390 -5.214) 7.094 17.482 ( -0.530 2.900 -6.986) 7.583 17.943 ( 2.791 -9.483 5.300) 11.216 18.041 ( -6.604 -11.576 1.368) 13.397 24.521 ( 2.601 1.167 1.715) 3.327 24.532 ( 4.780 0.355 1.618) 5.059 24.559 ( -1.286 1.026 2.641) 3.111 24.619 ( -3.821 -0.450 0.562) 3.888 25.325 ( 4.761 -3.556 2.850) 6.591 25.366 ( 2.211 -3.843 1.514) 4.685 25.674 ( -0.219 -7.059 5.189) 8.763 25.753 ( -6.410 -8.166 2.860) 10.768 26.546 ( 1.102 17.376 -5.182) 18.166 26.573 ( -1.207 15.667 -7.229) 17.296 26.797 ( 0.772 11.095 -7.629) 13.487 26.826 ( -1.875 10.924 -7.129) 13.178 29.321 ( 0.551 3.611 7.925) 8.726 29.332 ( -0.514 2.871 7.554) 8.097 30.216 ( 5.581 -13.271 8.335) 16.636 30.336 ( -6.264 -15.148 2.804) 16.630 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.747 ( 0.000 18.794 28.528) 34.162 5.114 ( 0.000 4.421 16.429) 17.013 5.143 ( 0.000 8.407 6.932) 10.896 5.318 ( 0.000 16.162 24.067) 28.991 5.422 ( 0.000 2.615 12.731) 12.996 5.644 ( 0.000 11.795 -11.818) 16.697 5.794 ( 0.000 1.494 8.079) 8.216 5.899 ( 0.000 8.664 16.702) 18.815 5.947 ( 0.000 4.541 3.451) 5.703 6.077 ( 0.000 -2.170 -9.843) 10.079 6.228 ( 0.000 14.074 0.918) 14.104 6.461 ( 0.000 17.496 -20.654) 27.068 6.746 ( 0.000 19.807 -8.140) 21.415 6.994 ( 0.000 7.543 -8.669) 11.491 6.994 ( 0.000 0.123 -2.858) 2.860 7.284 ( 0.000 -4.533 6.720) 8.106 7.422 ( 0.000 -1.950 -7.589) 7.835 7.578 ( 0.000 -14.176 -8.450) 16.503 7.731 ( 0.000 -10.129 -12.220) 15.872 7.745 ( 0.000 -5.807 -8.183) 10.034 8.108 ( 0.000 0.294 0.832) 0.883 8.121 ( 0.000 2.725 -3.305) 4.283 8.596 ( 0.000 4.478 2.607) 5.181 8.644 ( 0.000 -5.014 -6.933) 8.556 8.659 ( 0.000 -1.472 -4.223) 4.472 8.802 ( 0.000 -6.099 -6.707) 9.065 8.870 ( 0.000 -1.534 12.416) 12.511 9.232 ( 0.000 -6.224 -3.808) 7.296 9.256 ( 0.000 9.370 -0.420) 9.379 9.435 ( 0.000 7.167 2.535) 7.602 9.525 ( 0.000 -0.726 5.144) 5.195 9.814 ( 0.000 1.513 5.320) 5.531 9.879 ( 0.000 -13.407 -2.066) 13.565 9.936 ( 0.000 -10.669 -2.062) 10.867 10.220 ( 0.000 1.269 2.342) 2.663 10.316 ( 0.000 -4.808 1.930) 5.181 10.464 ( 0.000 0.155 6.184) 6.186 10.529 ( 0.000 -3.845 5.975) 7.105 10.964 ( 0.000 -0.180 -8.308) 8.310 10.997 ( 0.000 -0.214 -5.214) 5.219 11.120 ( 0.000 2.677 -12.641) 12.921 11.200 ( 0.000 5.741 -10.385) 11.866 11.571 ( 0.000 -3.151 -9.554) 10.060 11.794 ( 0.000 -10.222 -15.899) 18.901 12.444 ( 0.000 -0.505 1.269) 1.365 12.532 ( 0.000 -1.670 -1.931) 2.553 12.791 ( 0.000 -3.906 -0.353) 3.922 12.851 ( 0.000 -4.192 -1.658) 4.508 13.614 ( 0.000 4.859 8.924) 10.161 13.753 ( 0.000 -0.338 5.567) 5.577 13.907 ( 0.000 5.698 7.598) 9.497 14.005 ( 0.000 -2.253 6.620) 6.992 14.365 ( 0.000 4.206 4.424) 6.104 14.456 ( 0.000 1.879 1.654) 2.504 14.681 ( 0.000 2.636 -0.658) 2.717 14.709 ( 0.000 2.422 -1.645) 2.928 14.810 ( 0.000 2.816 4.396) 5.221 14.974 ( 0.000 0.760 -3.188) 3.277 15.405 ( 0.000 3.115 1.663) 3.531 15.445 ( 0.000 2.204 1.459) 2.643 15.875 ( 0.000 -0.803 -3.598) 3.687 15.942 ( 0.000 -1.641 -1.575) 2.275 16.154 ( 0.000 -6.255 -2.940) 6.911 16.237 ( 0.000 -8.942 -10.612) 13.877 17.445 ( 0.000 4.534 -3.221) 5.561 17.522 ( 0.000 3.341 -5.223) 6.200 17.773 ( 0.000 -6.267 2.535) 6.761 17.930 ( 0.000 -11.799 -2.443) 12.050 24.423 ( 0.000 0.632 1.608) 1.728 24.437 ( 0.000 0.098 0.931) 0.936 24.602 ( 0.000 1.414 1.831) 2.314 24.659 ( 0.000 -1.500 -0.431) 1.561 25.167 ( 0.000 -0.999 1.482) 1.787 25.186 ( 0.000 -1.236 0.526) 1.343 25.683 ( 0.000 -2.953 10.031) 10.457 25.760 ( 0.000 -5.979 7.126) 9.302 26.823 ( 0.000 10.802 -7.921) 13.395 26.907 ( 0.000 13.347 -4.841) 14.198 26.965 ( 0.000 4.304 -11.814) 12.574 27.054 ( 0.000 5.767 -7.628) 9.562 29.411 ( 0.000 5.518 8.620) 10.235 29.458 ( 0.000 9.436 6.303) 11.348 29.844 ( 0.000 -12.258 12.895) 17.792 30.102 ( 0.000 -18.509 1.030) 18.538 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( -3.393 15.341 21.957) 26.999 4.990 ( -10.256 7.071 6.102) 13.872 5.054 ( -5.950 2.401 10.997) 12.732 5.248 ( -8.401 7.341 13.770) 17.722 5.485 ( 4.452 8.570 20.829) 22.959 5.697 ( 4.202 11.433 -2.842) 12.508 5.803 ( 2.310 4.537 11.059) 12.175 5.869 ( -2.346 10.151 18.116) 20.898 6.023 ( 6.779 9.672 4.831) 12.760 6.155 ( 4.922 6.433 3.064) 8.660 6.284 ( 5.748 8.418 -10.550) 14.670 6.487 ( 2.132 14.721 -18.759) 23.941 6.717 ( -2.480 12.495 -6.873) 14.474 6.860 ( -5.329 8.058 -7.296) 12.106 7.167 ( 6.771 1.045 -5.741) 8.939 7.299 ( 0.965 -7.322 3.005) 7.974 7.470 ( 4.711 -1.245 -6.755) 8.329 7.563 ( 1.088 -5.731 -8.086) 9.971 7.728 ( -0.238 -7.023 -9.901) 12.141 7.798 ( 4.989 -7.559 -12.585) 15.505 8.068 ( -3.843 2.915 -1.691) 5.111 8.166 ( 3.177 0.647 -1.336) 3.507 8.459 ( -7.712 2.419 -0.072) 8.082 8.614 ( -2.149 -5.858 -5.607) 8.389 8.681 ( -2.990 3.973 -1.482) 5.189 8.843 ( 2.357 -8.393 -6.904) 11.120 8.890 ( 3.220 -3.789 13.217) 14.121 9.006 ( -12.065 -4.342 3.012) 13.172 9.348 ( -0.708 6.703 2.399) 7.154 9.492 ( 2.207 -0.873 -4.633) 5.205 9.496 ( 3.083 3.317 1.671) 4.827 9.676 ( -9.997 -8.727 -5.465) 14.352 9.996 ( 5.523 -2.744 4.313) 7.525 10.100 ( 13.088 -3.196 9.118) 16.268 10.249 ( 4.613 1.881 -0.928) 5.067 10.353 ( 3.712 -3.914 -0.473) 5.415 10.448 ( -0.929 -2.032 6.326) 6.709 10.550 ( 2.204 -5.319 5.765) 8.148 10.960 ( -0.614 -0.624 -7.172) 7.225 10.991 ( -1.182 -0.338 -5.877) 6.004 11.123 ( 0.337 3.127 -11.888) 12.297 11.208 ( 0.415 6.036 -9.400) 11.179 11.489 ( -7.144 -4.491 -10.336) 13.343 11.715 ( -7.766 -10.157 -15.644) 20.204 12.454 ( 1.134 -0.039 0.579) 1.274 12.537 ( 0.311 -0.877 -2.257) 2.441 12.774 ( -1.516 -5.743 -0.740) 5.985 12.823 ( -2.497 -6.005 -2.222) 6.872 13.625 ( 1.634 5.167 9.748) 11.153 13.809 ( 4.446 -0.618 4.484) 6.345 13.867 ( -3.839 5.600 7.897) 10.414 13.989 ( -1.609 -2.156 5.891) 6.477 14.388 ( 2.341 4.015 3.774) 5.987 14.472 ( 1.761 2.659 0.908) 3.317 14.640 ( -4.295 2.475 1.187) 5.097 14.667 ( -2.041 1.591 -1.618) 3.052 14.889 ( 6.018 4.912 3.090) 8.360 15.022 ( 4.481 0.709 -2.745) 5.302 15.346 ( -4.877 2.537 3.055) 6.289 15.428 ( -2.597 1.348 0.627) 2.993 15.894 ( 1.770 -0.158 -2.917) 3.416 15.946 ( 0.409 -1.002 -1.345) 1.726 16.158 ( 0.371 -6.881 -3.924) 7.930 16.224 ( -1.214 -8.995 -10.245) 13.688 17.465 ( 1.970 4.342 -3.233) 5.761 17.537 ( 1.280 3.395 -5.412) 6.516 17.761 ( -0.949 -6.559 2.633) 7.132 17.897 ( -3.148 -10.954 -1.908) 11.556 24.460 ( 3.503 0.694 1.767) 3.984 24.475 ( 3.338 0.233 1.120) 3.528 24.599 ( -0.354 1.385 1.819) 2.314 24.649 ( -1.114 -1.148 -0.076) 1.601 25.195 ( 3.087 -0.813 1.859) 3.694 25.227 ( 4.022 -1.561 0.516) 4.345 25.634 ( -4.753 -3.381 8.844) 10.594 25.712 ( -4.777 -6.390 5.928) 9.939 26.832 ( 0.889 10.979 -7.532) 13.344 26.900 ( -0.747 12.995 -6.141) 14.392 26.965 ( 0.159 4.810 -9.938) 11.042 27.041 ( -1.275 5.789 -7.546) 9.596 29.415 ( 0.475 6.035 8.599) 10.516 29.457 ( -0.228 9.158 6.613) 11.298 29.862 ( 1.909 -12.986 11.726) 17.601 30.072 ( -2.880 -17.911 2.129) 18.265 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.680 ( 2.571 10.413 13.885) 17.545 4.799 ( -8.877 7.672 8.952) 14.758 4.970 ( -0.330 -0.258 3.618) 3.642 5.058 ( -8.559 0.196 3.489) 9.245 5.602 ( 7.153 14.122 25.201) 29.761 5.730 ( -3.834 14.192 21.200) 25.798 5.822 ( 0.558 6.006 13.956) 15.203 5.840 ( 0.171 7.602 12.988) 15.050 6.156 ( 5.480 16.361 5.246) 18.034 6.212 ( 0.017 19.479 4.837) 20.071 6.448 ( 9.650 -2.542 -13.007) 16.394 6.539 ( 2.260 8.944 -15.891) 18.375 6.660 ( -2.434 7.014 -6.206) 9.677 6.735 ( -7.468 11.288 -11.238) 17.592 7.239 ( 1.775 -6.952 -3.176) 7.846 7.280 ( -2.470 -12.453 -1.631) 12.800 7.586 ( 6.732 3.623 -5.464) 9.397 7.663 ( 2.498 8.517 -13.553) 16.200 7.745 ( 5.837 -3.075 -6.605) 9.335 7.928 ( 0.735 -2.484 -13.853) 14.093 7.947 ( -0.835 1.155 -3.223) 3.524 8.134 ( -8.406 -2.287 -10.304) 13.493 8.417 ( 4.870 1.297 4.351) 6.658 8.553 ( -6.786 -0.903 -0.222) 6.849 8.631 ( 2.187 -0.150 2.225) 3.124 8.739 ( -8.174 -0.575 5.277) 9.747 8.939 ( 2.504 -11.102 3.766) 11.988 8.968 ( 1.560 -13.941 3.621) 14.488 9.321 ( 1.778 3.795 -0.853) 4.277 9.453 ( -9.626 -4.706 -7.825) 13.268 9.535 ( 1.976 0.147 0.053) 1.982 9.564 ( -0.046 -1.827 -3.829) 4.243 10.099 ( 5.091 5.709 8.303) 11.289 10.178 ( -2.225 5.488 5.944) 8.390 10.420 ( 2.083 -5.184 2.078) 5.961 10.443 ( -0.213 -4.046 4.603) 6.132 10.508 ( 16.165 0.741 1.856) 16.288 10.640 ( 5.213 -2.479 3.632) 6.820 10.910 ( -4.760 -4.481 -6.431) 9.170 10.930 ( -4.860 -3.608 -3.621) 7.053 11.133 ( 0.852 4.688 -10.612) 11.633 11.175 ( -3.614 6.445 -7.563) 10.574 11.407 ( 1.613 -7.547 -15.203) 17.050 11.530 ( -9.474 -9.181 -15.794) 20.579 12.490 ( 2.357 0.839 -0.622) 2.578 12.530 ( -1.300 1.103 -1.820) 2.494 12.752 ( -0.166 -9.319 -2.008) 9.534 12.773 ( -2.125 -9.117 -2.690) 9.740 13.682 ( 4.012 5.622 9.484) 11.733 13.774 ( -5.111 5.612 8.170) 11.152 13.891 ( 3.530 -1.316 4.334) 5.743 13.948 ( -2.461 -1.817 4.718) 5.623 14.452 ( 3.940 3.384 2.597) 5.807 14.514 ( 0.421 4.199 -0.144) 4.223 14.564 ( -1.325 1.433 1.730) 2.608 14.614 ( -3.361 2.683 -1.183) 4.460 15.018 ( 6.719 5.800 2.824) 9.315 15.103 ( 0.850 4.573 -0.824) 4.724 15.263 ( -0.868 -0.969 3.162) 3.420 15.341 ( -5.727 -0.578 0.378) 5.769 15.931 ( 1.645 0.810 -1.593) 2.429 15.950 ( -0.261 0.423 -1.018) 1.133 16.170 ( 0.967 -8.310 -6.425) 10.549 16.195 ( -1.513 -9.062 -8.925) 12.808 17.515 ( 2.712 3.970 -3.649) 6.036 17.552 ( -0.511 3.799 -5.052) 6.342 17.759 ( 1.480 -7.721 1.874) 8.082 17.820 ( -4.178 -9.169 -0.404) 10.084 24.541 ( 4.136 0.496 1.619) 4.470 24.542 ( 3.094 0.691 1.568) 3.536 24.584 ( -1.302 1.189 1.778) 2.504 24.611 ( -2.767 -0.297 0.845) 2.908 25.285 ( 5.473 -0.040 2.968) 6.226 25.323 ( 3.901 -0.422 1.662) 4.261 25.530 ( -3.683 -5.996 5.540) 8.956 25.587 ( -7.085 -7.329 3.613) 10.815 26.855 ( 1.298 11.519 -7.003) 13.543 26.880 ( -1.244 12.229 -7.052) 14.171 26.978 ( 1.193 5.589 -7.887) 9.740 27.009 ( -1.799 5.800 -7.476) 9.632 29.429 ( 0.893 7.160 8.279) 10.982 29.447 ( -0.772 8.341 7.471) 11.224 29.918 ( 3.696 -14.615 8.661) 17.385 29.999 ( -4.264 -16.418 5.008) 17.687 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.089 ( 0.000 -10.634 13.832) 17.447 5.089 ( 0.000 10.634 13.832) 17.447 5.258 ( 0.000 -4.620 14.853) 15.555 5.258 ( 0.000 4.620 14.853) 15.555 5.715 ( 0.000 -9.995 22.660) 24.767 5.715 ( 0.000 9.995 22.660) 24.767 5.838 ( 0.000 -8.471 4.380) 9.536 5.838 ( 0.000 8.471 4.380) 9.536 6.011 ( 0.000 -3.049 -2.197) 3.758 6.011 ( 0.000 3.049 -2.197) 3.758 6.583 ( 0.000 -13.110 -4.648) 13.910 6.583 ( 0.000 13.110 -4.648) 13.910 6.979 ( 0.000 -3.356 -10.970) 11.472 6.979 ( 0.000 3.356 -10.970) 11.472 7.177 ( 0.000 -6.856 -6.152) 9.211 7.177 ( 0.000 6.856 -6.152) 9.212 7.353 ( 0.000 -2.023 -4.706) 5.122 7.353 ( 0.000 2.023 -4.706) 5.122 7.668 ( 0.000 -2.031 -11.778) 11.952 7.668 ( 0.000 2.031 -11.778) 11.952 8.180 ( 0.000 -0.541 -8.812) 8.828 8.180 ( 0.000 0.541 -8.812) 8.828 8.533 ( 0.000 -1.910 -3.269) 3.786 8.533 ( 0.000 1.910 -3.269) 3.786 8.753 ( 0.000 -5.439 -3.836) 6.656 8.753 ( 0.000 5.439 -3.836) 6.656 8.988 ( 0.000 -14.289 9.149) 16.967 8.988 ( 0.000 14.289 9.149) 16.967 9.496 ( 0.000 -10.611 1.828) 10.767 9.496 ( 0.000 10.611 1.828) 10.767 9.558 ( 0.000 -4.908 -5.598) 7.445 9.558 ( 0.000 4.908 -5.598) 7.445 9.818 ( 0.000 -1.568 9.931) 10.054 9.818 ( 0.000 1.568 9.931) 10.054 10.247 ( 0.000 -1.504 0.495) 1.583 10.247 ( 0.000 1.504 0.495) 1.583 10.489 ( 0.000 -0.997 5.525) 5.615 10.489 ( 0.000 0.997 5.525) 5.615 10.973 ( 0.000 -1.169 -6.645) 6.747 10.973 ( 0.000 1.169 -6.645) 6.747 11.207 ( 0.000 -4.301 -14.962) 15.568 11.207 ( 0.000 4.301 -14.962) 15.568 11.601 ( 0.000 -6.759 -8.936) 11.205 11.601 ( 0.000 6.759 -8.936) 11.205 12.473 ( 0.000 -2.890 -2.344) 3.721 12.473 ( 0.000 2.890 -2.344) 3.721 12.784 ( 0.000 -2.252 -0.526) 2.313 12.784 ( 0.000 2.252 -0.526) 2.313 13.704 ( 0.000 -3.739 9.529) 10.237 13.704 ( 0.000 3.739 9.529) 10.237 13.980 ( 0.000 -1.270 5.616) 5.758 13.980 ( 0.000 1.270 5.616) 5.758 14.438 ( 0.000 -2.563 3.430) 4.282 14.438 ( 0.000 2.563 3.430) 4.282 14.723 ( 0.000 -0.986 -0.533) 1.121 14.723 ( 0.000 0.986 -0.533) 1.121 14.917 ( 0.000 -5.592 4.264) 7.032 14.917 ( 0.000 5.592 4.264) 7.032 15.457 ( 0.000 -1.361 -0.968) 1.670 15.457 ( 0.000 1.361 -0.968) 1.670 15.915 ( 0.000 -2.554 -6.179) 6.686 15.915 ( 0.000 2.554 -6.179) 6.686 16.090 ( 0.000 -2.198 -4.910) 5.380 16.090 ( 0.000 2.198 -4.910) 5.380 17.532 ( 0.000 -3.091 -1.614) 3.487 17.532 ( 0.000 3.091 -1.614) 3.487 17.748 ( 0.000 -4.872 -2.880) 5.660 17.748 ( 0.000 4.872 -2.880) 5.660 24.434 ( 0.000 -0.379 1.231) 1.288 24.434 ( 0.000 0.379 1.231) 1.288 24.631 ( 0.000 -1.314 0.527) 1.416 24.631 ( 0.000 1.314 0.527) 1.416 25.166 ( 0.000 -0.688 1.083) 1.283 25.166 ( 0.000 0.688 1.083) 1.283 25.671 ( 0.000 -2.025 8.655) 8.888 25.671 ( 0.000 2.025 8.655) 8.888 26.976 ( 0.000 -3.465 -9.257) 9.884 26.976 ( 0.000 3.465 -9.257) 9.884 27.084 ( 0.000 -3.325 -7.131) 7.868 27.084 ( 0.000 3.325 -7.131) 7.868 29.565 ( 0.000 -7.647 9.645) 12.309 29.565 ( 0.000 7.647 9.645) 12.309 29.755 ( 0.000 -12.670 5.399) 13.772 29.755 ( 0.000 12.670 5.399) 13.772 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.968 ( -8.137 -8.782 8.103) 14.457 4.968 ( -8.137 8.782 8.103) 14.457 5.169 ( -9.412 -7.864 11.316) 16.688 5.169 ( -9.412 7.864 11.316) 16.688 5.728 ( 3.231 -8.145 22.041) 23.719 5.728 ( 3.231 8.145 22.041) 23.719 5.925 ( 3.134 -4.721 18.065) 18.933 5.925 ( 3.134 4.721 18.065) 18.933 6.099 ( 10.035 -3.507 -4.176) 11.421 6.099 ( 10.035 3.507 -4.176) 11.421 6.586 ( -0.880 -11.866 -1.623) 12.009 6.586 ( -0.880 11.866 -1.623) 12.009 6.929 ( -2.449 -13.573 -9.953) 17.008 6.929 ( -2.449 13.573 -9.953) 17.008 7.164 ( -3.962 -5.770 -10.337) 12.484 7.164 ( -3.962 5.770 -10.337) 12.484 7.461 ( 11.060 -3.969 -7.009) 13.682 7.461 ( 11.060 3.969 -7.009) 13.682 7.711 ( 4.535 -2.096 -13.408) 14.309 7.711 ( 4.535 2.096 -13.408) 14.309 8.185 ( 0.155 -2.124 -7.303) 7.608 8.185 ( 0.155 2.124 -7.303) 7.608 8.488 ( -5.063 -5.037 -3.866) 8.121 8.488 ( -5.063 5.037 -3.866) 8.121 8.728 ( -1.908 -3.325 -2.988) 4.861 8.728 ( -1.908 3.325 -2.988) 4.861 8.907 ( -6.344 -5.100 11.648) 14.211 8.907 ( -6.344 5.100 11.648) 14.211 9.495 ( -1.567 -5.906 -4.394) 7.527 9.495 ( -1.567 5.906 -4.394) 7.527 9.504 ( -2.480 -3.486 -2.890) 5.163 9.504 ( -2.480 3.486 -2.890) 5.163 9.995 ( 13.710 -2.830 13.422) 19.394 9.995 ( 13.710 2.830 13.422) 19.394 10.293 ( 4.731 -2.123 -1.257) 5.336 10.293 ( 4.731 2.123 -1.257) 5.336 10.471 ( -1.074 -2.688 5.207) 5.957 10.471 ( -1.074 2.688 5.207) 5.957 10.968 ( -1.219 -1.213 -6.214) 6.447 10.968 ( -1.219 1.213 -6.214) 6.447 11.215 ( 0.851 -4.799 -14.312) 15.119 11.215 ( 0.851 4.799 -14.312) 15.119 11.517 ( -8.007 -7.531 -9.414) 14.473 11.517 ( -8.007 7.531 -9.414) 14.473 12.489 ( 1.727 -2.887 -2.493) 4.187 12.489 ( 1.727 2.887 -2.493) 4.187 12.736 ( -4.398 -1.776 -0.942) 4.836 12.736 ( -4.398 1.776 -0.942) 4.836 13.738 ( 3.050 -5.219 9.016) 10.855 13.738 ( 3.050 5.219 9.016) 10.855 13.951 ( -2.738 -2.324 5.704) 6.741 13.951 ( -2.738 2.324 5.704) 6.741 14.463 ( 2.463 -2.794 3.260) 4.950 14.463 ( 2.463 2.794 3.260) 4.950 14.685 ( -3.206 -1.150 1.060) 3.567 14.685 ( -3.206 1.150 1.060) 3.567 14.982 ( 5.938 -3.853 2.554) 7.526 14.982 ( 5.938 3.853 2.554) 7.526 15.411 ( -4.644 -2.812 -0.893) 5.502 15.411 ( -4.644 2.812 -0.893) 5.502 15.937 ( 2.144 -1.903 -5.751) 6.425 15.937 ( 2.144 1.903 -5.751) 6.425 16.079 ( -1.157 -1.775 -4.974) 5.407 16.079 ( -1.157 1.775 -4.974) 5.407 17.551 ( 1.913 -3.158 -1.653) 4.045 17.551 ( 1.913 3.158 -1.653) 4.046 17.726 ( -2.124 -4.613 -2.680) 5.742 17.726 ( -2.124 4.613 -2.680) 5.742 24.472 ( 3.519 -0.410 1.456) 3.830 24.472 ( 3.519 0.410 1.456) 3.830 24.626 ( -0.583 -1.150 0.691) 1.463 24.626 ( -0.583 1.150 0.691) 1.463 25.201 ( 3.652 -1.009 1.281) 4.000 25.201 ( 3.652 1.009 1.281) 4.000 25.618 ( -5.316 -2.108 7.454) 9.395 25.618 ( -5.316 2.108 7.454) 9.395 26.984 ( 0.834 -3.236 -8.822) 9.434 26.984 ( 0.834 3.236 -8.822) 9.434 27.072 ( -1.159 -3.219 -7.053) 7.839 27.072 ( -1.159 3.219 -7.053) 7.839 29.582 ( 1.629 -8.157 9.273) 12.457 29.582 ( 1.629 8.157 9.273) 12.457 29.735 ( -1.944 -12.192 5.846) 13.660 29.735 ( -1.944 12.192 5.846) 13.660 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.875 ( -0.185 -7.019 4.528) 8.355 4.875 ( -0.185 7.019 4.528) 8.355 4.967 ( -8.940 -6.648 5.338) 12.354 4.967 ( -8.940 6.648 5.338) 12.354 5.825 ( 5.726 -5.280 25.207) 26.383 5.825 ( 5.726 5.280 25.207) 26.383 5.918 ( -3.073 -2.231 24.026) 24.325 5.918 ( -3.073 2.231 24.026) 24.325 6.331 ( 11.480 -4.940 -0.046) 12.497 6.331 ( 11.480 4.940 -0.046) 12.497 6.512 ( -6.708 -8.740 1.478) 11.116 6.512 ( -6.708 8.740 1.478) 11.116 6.935 ( 3.205 -14.994 -11.635) 19.247 6.935 ( 3.205 14.994 -11.635) 19.247 7.043 ( -7.033 -11.633 -12.312) 18.341 7.043 ( -7.033 11.633 -12.312) 18.341 7.706 ( 11.496 -6.613 -13.125) 18.659 7.706 ( 11.496 6.613 -13.125) 18.659 7.809 ( 2.391 -5.826 -17.392) 18.497 7.809 ( 2.391 5.826 -17.392) 18.497 8.190 ( 2.040 -3.600 -2.084) 4.633 8.190 ( 2.040 3.600 -2.084) 4.633 8.328 ( -10.160 -2.133 -2.750) 10.739 8.328 ( -10.160 2.133 -2.750) 10.739 8.722 ( 1.858 -6.723 1.456) 7.125 8.722 ( 1.858 6.723 1.456) 7.125 8.793 ( -4.968 -7.090 7.268) 11.303 8.793 ( -4.968 7.090 7.268) 11.303 9.459 ( -0.474 -5.479 -4.070) 6.842 9.459 ( -0.474 5.479 -4.070) 6.842 9.474 ( -1.576 -6.461 -2.234) 7.016 9.474 ( -1.576 6.461 -2.234) 7.016 10.216 ( 7.871 -4.755 11.816) 14.972 10.216 ( 7.871 4.755 11.816) 14.973 10.329 ( -3.513 -3.736 6.496) 8.276 10.329 ( -3.513 3.736 6.496) 8.276 10.593 ( 14.913 -3.590 -1.713) 15.434 10.593 ( 14.913 3.590 -1.713) 15.434 10.871 ( -10.188 -1.139 -3.453) 10.817 10.871 ( -10.188 1.139 -3.453) 10.817 11.247 ( 2.770 -6.081 -13.390) 14.964 11.247 ( 2.770 6.081 -13.390) 14.964 11.344 ( -7.649 -8.043 -11.976) 16.329 11.344 ( -7.649 8.043 -11.976) 16.329 12.544 ( 3.839 -2.568 -2.494) 5.249 12.544 ( 3.839 2.568 -2.494) 5.249 12.636 ( -5.292 -1.725 -1.864) 5.870 12.636 ( -5.292 1.725 -1.864) 5.870 13.808 ( 3.834 -5.814 7.679) 10.367 13.808 ( 3.834 5.814 7.679) 10.367 13.884 ( -3.838 -4.419 6.328) 8.620 13.884 ( -3.838 4.419 6.328) 8.620 14.529 ( 4.078 -3.215 3.012) 6.004 14.529 ( 4.078 3.215 3.012) 6.004 14.612 ( -4.109 -2.912 2.466) 5.607 14.612 ( -4.109 2.912 2.466) 5.607 15.125 ( 8.173 -3.580 0.739) 8.953 15.125 ( 8.173 3.580 0.739) 8.953 15.286 ( -7.741 -3.838 -0.392) 8.649 15.286 ( -7.741 3.838 -0.392) 8.649 15.990 ( 2.974 -0.751 -5.201) 6.038 15.990 ( 2.974 0.751 -5.201) 6.038 16.044 ( -2.379 -0.766 -5.040) 5.626 16.044 ( -2.379 0.766 -5.040) 5.626 17.603 ( 3.251 -3.446 -1.841) 5.083 17.603 ( 3.251 3.446 -1.841) 5.083 17.671 ( -3.371 -4.012 -2.235) 5.697 17.671 ( -3.371 4.012 -2.235) 5.697 24.548 ( 3.650 -0.104 1.617) 3.994 24.548 ( 3.650 0.104 1.617) 3.994 24.603 ( -1.898 -0.609 1.188) 2.321 24.603 ( -1.898 0.609 1.188) 2.321 25.312 ( 7.537 -1.621 2.339) 8.056 25.312 ( 7.537 1.621 2.339) 8.056 25.477 ( -8.528 -2.067 4.739) 9.973 25.477 ( -8.528 2.067 4.739) 9.973 27.008 ( 1.588 -2.902 -7.871) 8.538 27.008 ( 1.588 2.902 -7.871) 8.538 27.042 ( -1.766 -2.963 -7.169) 7.956 27.042 ( -1.766 2.963 -7.169) 7.956 29.626 ( 2.783 -9.433 8.273) 12.852 29.626 ( 2.783 9.433 8.273) 12.852 29.685 ( -2.979 -10.958 6.968) 13.323 29.685 ( -2.979 10.958 6.968) 13.323 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( 0.000 0.000 -6.377) 6.377 4.464 ( 0.000 0.000 6.377) 6.377 4.713 ( 0.000 0.000 -31.814) 31.814 4.713 ( 0.000 0.000 31.814) 31.814 4.906 ( 0.000 0.000 -37.058) 37.058 4.906 ( 0.000 0.000 37.058) 37.058 5.032 ( 0.000 0.000 -7.425) 7.425 5.032 ( 0.000 0.000 7.425) 7.425 5.405 ( 0.000 0.000 -8.076) 8.076 5.405 ( 0.000 0.000 8.076) 8.076 5.732 ( 0.000 0.000 -11.628) 11.628 5.732 ( 0.000 0.000 11.628) 11.628 6.167 ( 0.000 0.000 -6.031) 6.031 6.167 ( 0.000 0.000 6.031) 6.031 7.634 ( 0.000 0.000 -7.206) 7.206 7.634 ( 0.000 0.000 7.207) 7.207 7.710 ( 0.000 0.000 -19.810) 19.810 7.710 ( 0.000 0.000 19.810) 19.810 8.295 ( 0.000 0.000 -5.022) 5.022 8.295 ( 0.000 0.000 5.022) 5.022 8.573 ( 0.000 0.000 -4.823) 4.823 8.573 ( 0.000 0.000 4.823) 4.823 8.740 ( 0.000 0.000 -9.830) 9.830 8.740 ( 0.000 0.000 9.830) 9.830 8.987 ( 0.000 0.000 -6.216) 6.216 8.987 ( 0.000 0.000 6.216) 6.216 9.050 ( 0.000 0.000 -11.995) 11.995 9.050 ( 0.000 0.000 11.995) 11.995 9.142 ( 0.000 0.000 -4.446) 4.446 9.142 ( 0.000 0.000 4.446) 4.446 9.612 ( 0.000 0.000 -11.569) 11.569 9.612 ( 0.000 0.000 11.569) 11.569 9.738 ( 0.000 0.000 -15.073) 15.073 9.738 ( 0.000 0.000 15.073) 15.073 10.477 ( 0.000 0.000 -15.563) 15.563 10.477 ( 0.000 0.000 15.563) 15.563 10.831 ( 0.000 0.000 -3.082) 3.082 10.831 ( 0.000 0.000 3.082) 3.082 10.877 ( 0.000 0.000 -1.494) 1.494 10.877 ( 0.000 0.000 1.494) 1.494 10.959 ( 0.000 0.000 -1.051) 1.051 10.959 ( 0.000 0.000 1.051) 1.051 11.601 ( 0.000 0.000 -15.234) 15.234 11.601 ( 0.000 0.000 15.234) 15.234 12.549 ( 0.000 0.000 -2.364) 2.364 12.549 ( 0.000 0.000 2.364) 2.364 13.140 ( 0.000 0.000 -2.106) 2.106 13.140 ( 0.000 0.000 2.106) 2.106 13.544 ( 0.000 0.000 -6.454) 6.454 13.544 ( 0.000 0.000 6.454) 6.454 13.857 ( 0.000 0.000 -7.868) 7.868 13.857 ( 0.000 0.000 7.868) 7.868 14.182 ( 0.000 0.000 -1.999) 1.999 14.182 ( 0.000 0.000 1.999) 1.999 14.587 ( 0.000 0.000 -7.540) 7.540 14.587 ( 0.000 0.000 7.540) 7.540 15.128 ( 0.000 0.000 -0.180) 0.180 15.128 ( 0.000 0.000 0.180) 0.180 15.147 ( 0.000 0.000 -2.370) 2.370 15.147 ( 0.000 0.000 2.370) 2.370 16.060 ( 0.000 0.000 -1.402) 1.402 16.060 ( 0.000 0.000 1.402) 1.402 16.509 ( 0.000 0.000 -0.096) 0.096 16.509 ( 0.000 0.000 0.096) 0.096 17.178 ( 0.000 0.000 -3.791) 3.791 17.178 ( 0.000 0.000 3.791) 3.791 18.449 ( 0.000 0.000 -12.290) 12.290 18.449 ( 0.000 0.000 12.290) 12.290 24.419 ( 0.000 0.000 -0.523) 0.523 24.419 ( 0.000 0.000 0.523) 0.523 24.700 ( 0.000 0.000 -4.103) 4.103 24.700 ( 0.000 0.000 4.103) 4.103 25.337 ( 0.000 0.000 -0.331) 0.331 25.337 ( 0.000 0.000 0.331) 0.331 26.026 ( 0.000 0.000 -6.996) 6.996 26.026 ( 0.000 0.000 6.996) 6.996 26.153 ( 0.000 0.000 -14.043) 14.043 26.153 ( 0.000 0.000 14.043) 14.043 26.381 ( 0.000 0.000 -7.871) 7.871 26.381 ( 0.000 0.000 7.871) 7.871 29.353 ( 0.000 0.000 -2.513) 2.513 29.353 ( 0.000 0.000 2.513) 2.513 30.673 ( 0.000 0.000 -13.012) 13.012 30.673 ( 0.000 0.000 13.013) 13.013 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( 2.956 0.000 -7.369) 7.940 4.499 ( 2.956 0.000 7.369) 7.940 4.731 ( 2.068 0.000 -31.366) 31.434 4.731 ( 2.068 0.000 31.366) 31.434 4.901 ( -1.870 0.000 -24.250) 24.322 4.901 ( -1.870 0.000 24.250) 24.322 5.011 ( -2.277 0.000 -10.352) 10.599 5.011 ( -2.277 0.000 10.352) 10.599 5.377 ( 1.405 0.000 -15.700) 15.763 5.377 ( 1.405 0.000 15.700) 15.763 5.808 ( 4.121 0.000 -26.090) 26.414 5.808 ( 4.121 0.000 26.090) 26.414 6.126 ( -3.573 0.000 -5.431) 6.501 6.126 ( -3.573 0.000 5.431) 6.501 7.711 ( 7.534 0.000 -9.550) 12.164 7.711 ( 7.534 0.000 9.550) 12.164 7.787 ( 7.388 0.000 -17.018) 18.553 7.787 ( 7.388 0.000 17.018) 18.553 8.286 ( -1.176 0.000 -5.408) 5.534 8.286 ( -1.176 0.000 5.408) 5.534 8.534 ( -4.546 0.000 -5.205) 6.911 8.534 ( -4.546 0.000 5.205) 6.911 8.657 ( -7.589 0.000 -7.761) 10.855 8.657 ( -7.589 0.000 7.761) 10.855 8.821 ( -12.515 0.000 -8.496) 15.126 8.821 ( -12.515 0.000 8.496) 15.126 8.846 ( -10.468 0.000 -8.099) 13.235 8.846 ( -10.468 0.000 8.099) 13.235 9.329 ( 9.466 0.000 -0.936) 9.513 9.329 ( 9.466 0.000 0.936) 9.513 9.694 ( 6.267 0.000 -6.283) 8.874 9.694 ( 6.267 0.000 6.283) 8.874 9.877 ( 11.568 0.000 -10.734) 15.782 9.877 ( 11.568 0.000 10.734) 15.782 10.439 ( -3.858 0.000 -15.527) 15.999 10.439 ( -3.858 0.000 15.527) 15.999 10.831 ( -0.031 0.000 -2.252) 2.252 10.831 ( -0.031 0.000 2.252) 2.252 10.875 ( -0.237 0.000 -1.280) 1.302 10.875 ( -0.237 0.000 1.280) 1.302 10.998 ( 3.895 0.000 -6.038) 7.186 10.998 ( 3.895 0.000 6.038) 7.186 11.502 ( -8.959 0.000 -14.714) 17.227 11.502 ( -8.959 0.000 14.714) 17.227 12.551 ( 0.144 0.000 -1.913) 1.919 12.551 ( 0.144 0.000 1.913) 1.919 13.181 ( 3.237 0.000 -4.137) 5.253 13.181 ( 3.237 0.000 4.137) 5.253 13.569 ( 2.583 0.000 -6.695) 7.176 13.569 ( 2.583 0.000 6.695) 7.176 13.823 ( -3.304 0.000 -7.857) 8.523 13.823 ( -3.304 0.000 7.857) 8.523 14.228 ( 4.553 0.000 -2.678) 5.282 14.228 ( 4.553 0.000 2.678) 5.282 14.595 ( 0.746 0.000 -7.406) 7.444 14.595 ( 0.746 0.000 7.406) 7.444 15.067 ( -5.731 0.000 -0.460) 5.750 15.067 ( -5.731 0.000 0.460) 5.750 15.152 ( 0.413 0.000 -1.911) 1.955 15.152 ( 0.413 0.000 1.911) 1.955 16.051 ( -0.811 0.000 -1.210) 1.457 16.051 ( -0.811 0.000 1.210) 1.457 16.510 ( 0.088 0.000 -0.077) 0.117 16.510 ( 0.088 0.000 0.077) 0.117 17.218 ( 3.601 0.000 -3.397) 4.950 17.218 ( 3.601 0.000 3.397) 4.950 18.412 ( -3.388 0.000 -10.181) 10.730 18.412 ( -3.388 0.000 10.181) 10.730 24.452 ( 3.163 0.000 -0.145) 3.166 24.452 ( 3.163 0.000 0.145) 3.166 24.675 ( -2.439 0.000 -3.692) 4.425 24.675 ( -2.439 0.000 3.692) 4.425 25.399 ( 5.920 0.000 -1.716) 6.164 25.399 ( 5.920 0.000 1.716) 6.164 26.025 ( -0.032 0.000 -5.650) 5.650 26.025 ( -0.032 0.000 5.650) 5.650 26.094 ( -5.661 0.000 -12.603) 13.816 26.094 ( -5.661 0.000 12.603) 13.816 26.382 ( 0.019 0.000 -6.358) 6.358 26.382 ( 0.019 0.000 6.358) 6.358 29.356 ( 0.262 0.000 -2.059) 2.076 29.356 ( 0.262 0.000 2.059) 2.076 30.664 ( -0.765 0.000 -10.530) 10.558 30.664 ( -0.765 0.000 10.530) 10.558 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.546 ( 1.324 0.000 -3.954) 4.170 4.546 ( 1.324 0.000 3.954) 4.170 4.804 ( 4.974 0.000 -23.233) 23.759 4.804 ( 4.974 0.000 23.233) 23.759 4.840 ( -2.663 0.000 -5.327) 5.956 4.840 ( -2.663 0.000 5.327) 5.956 4.941 ( -4.586 0.000 -14.479) 15.188 4.941 ( -4.586 0.000 14.479) 15.188 5.487 ( 6.613 0.000 -15.708) 17.044 5.487 ( 6.613 0.000 15.708) 17.044 5.824 ( -1.816 0.000 -19.460) 19.544 5.824 ( -1.816 0.000 19.460) 19.544 6.062 ( -2.116 0.000 -2.424) 3.217 6.062 ( -2.116 0.000 2.424) 3.217 7.889 ( 8.281 0.000 -8.665) 11.985 7.889 ( 8.281 0.000 8.665) 11.985 7.956 ( 7.763 0.000 -8.740) 11.690 7.956 ( 7.763 0.000 8.740) 11.690 8.233 ( -3.933 0.000 -5.453) 6.723 8.233 ( -3.933 0.000 5.453) 6.723 8.391 ( -7.745 0.000 -2.789) 8.231 8.391 ( -7.745 0.000 2.789) 8.231 8.529 ( -2.909 0.000 -2.442) 3.798 8.529 ( -2.909 0.000 2.442) 3.798 8.607 ( -7.868 0.000 -5.179) 9.420 8.607 ( -7.868 0.000 5.179) 9.420 8.722 ( -2.506 0.000 -3.323) 4.162 8.722 ( -2.506 0.000 3.323) 4.162 9.459 ( 3.520 0.000 -0.254) 3.529 9.459 ( 3.520 0.000 0.254) 3.529 9.810 ( 4.099 0.000 -3.629) 5.474 9.810 ( 4.099 0.000 3.629) 5.474 10.088 ( 8.280 0.000 -11.708) 14.340 10.088 ( 8.280 0.000 11.708) 14.340 10.336 ( -5.718 0.000 -12.207) 13.480 10.336 ( -5.718 0.000 12.207) 13.480 10.831 ( 0.004 0.000 -0.696) 0.696 10.831 ( 0.004 0.000 0.696) 0.696 10.870 ( -0.173 0.000 -0.593) 0.617 10.870 ( -0.173 0.000 0.593) 0.617 11.104 ( 6.372 0.000 -9.316) 11.287 11.104 ( 6.372 0.000 9.316) 11.287 11.309 ( -9.110 0.000 -11.347) 14.552 11.309 ( -9.110 0.000 11.347) 14.552 12.553 ( 0.089 0.000 -0.731) 0.737 12.553 ( 0.089 0.000 0.731) 0.737 13.230 ( 1.325 0.000 -2.072) 2.460 13.230 ( 1.325 0.000 2.072) 2.460 13.640 ( 4.365 0.000 -7.034) 8.278 13.640 ( 4.365 0.000 7.034) 8.278 13.739 ( -4.803 0.000 -7.488) 8.896 13.739 ( -4.803 0.000 7.488) 8.896 14.333 ( 4.495 0.000 -2.609) 5.197 14.333 ( 4.495 0.000 2.609) 5.197 14.610 ( 0.589 0.000 -4.981) 5.015 14.610 ( 0.589 0.000 4.981) 5.015 14.944 ( -5.029 0.000 -0.893) 5.108 14.944 ( -5.029 0.000 0.893) 5.108 15.159 ( 0.248 0.000 -0.726) 0.767 15.159 ( 0.248 0.000 0.726) 0.767 16.036 ( -0.512 0.000 -0.505) 0.719 16.036 ( -0.512 0.000 0.505) 0.719 16.512 ( 0.054 0.000 -0.029) 0.062 16.512 ( 0.054 0.000 0.029) 0.062 17.287 ( 2.460 0.000 -1.557) 2.911 17.287 ( 2.460 0.000 1.557) 2.911 18.346 ( -2.333 0.000 -4.097) 4.714 18.346 ( -2.333 0.000 4.097) 4.714 24.529 ( 4.239 0.000 -1.008) 4.357 24.529 ( 4.239 0.000 1.008) 4.357 24.612 ( -3.767 0.000 -2.521) 4.533 24.612 ( -3.767 0.000 2.521) 4.533 25.532 ( 5.779 0.000 -2.517) 6.303 25.532 ( 5.779 0.000 2.517) 6.303 25.965 ( -5.651 0.000 -6.675) 8.746 25.965 ( -5.651 0.000 6.675) 8.746 26.025 ( -0.020 0.000 -2.152) 2.152 26.025 ( -0.020 0.000 2.152) 2.152 26.382 ( 0.012 0.000 -2.423) 2.423 26.382 ( 0.012 0.000 2.423) 2.423 29.361 ( 0.165 0.000 -0.803) 0.820 29.361 ( 0.165 0.000 0.803) 0.820 30.650 ( -0.474 0.000 -4.025) 4.053 30.650 ( -0.474 0.000 4.025) 4.053 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( 0.000 16.993 -7.872) 18.728 4.662 ( 0.000 16.993 7.872) 18.728 4.906 ( 0.000 13.226 -10.921) 17.153 4.906 ( 0.000 13.226 10.921) 17.153 4.967 ( 0.000 10.297 -14.210) 17.549 4.967 ( 0.000 10.297 14.210) 17.549 5.229 ( 0.000 17.413 -6.509) 18.590 5.229 ( 0.000 17.413 6.509) 18.590 5.442 ( 0.000 3.456 -12.886) 13.341 5.442 ( 0.000 3.456 12.886) 13.341 5.735 ( 0.000 1.027 -6.455) 6.536 5.735 ( 0.000 1.027 6.455) 6.536 6.261 ( 0.000 8.694 -7.560) 11.521 6.261 ( 0.000 8.694 7.560) 11.521 7.475 ( 0.000 -9.999 -14.194) 17.362 7.475 ( 0.000 -9.999 14.194) 17.362 7.796 ( 0.000 2.605 -12.822) 13.084 7.796 ( 0.000 2.605 12.822) 13.084 8.134 ( 0.000 -13.899 -7.185) 15.646 8.134 ( 0.000 -13.899 7.185) 15.646 8.459 ( 0.000 -8.444 -5.480) 10.066 8.459 ( 0.000 -8.444 5.480) 10.066 8.747 ( 0.000 -1.884 -1.826) 2.624 8.747 ( 0.000 -1.884 1.826) 2.624 8.853 ( 0.000 -12.052 -6.917) 13.896 8.853 ( 0.000 -12.052 6.917) 13.896 9.029 ( 0.000 3.409 -1.470) 3.713 9.029 ( 0.000 3.409 1.470) 3.713 9.213 ( 0.000 4.302 -7.558) 8.697 9.213 ( 0.000 4.302 7.558) 8.697 9.721 ( 0.000 5.705 -12.444) 13.689 9.721 ( 0.000 5.705 12.444) 13.689 9.804 ( 0.000 6.600 -14.161) 15.623 9.804 ( 0.000 6.600 14.161) 15.623 10.461 ( 0.000 -1.733 -15.339) 15.436 10.461 ( 0.000 -1.733 15.339) 15.436 10.789 ( 0.000 -5.924 -8.364) 10.250 10.789 ( 0.000 -5.924 8.364) 10.250 10.863 ( 0.000 0.757 -2.801) 2.902 10.863 ( 0.000 0.757 2.801) 2.902 10.954 ( 0.000 -0.212 -2.315) 2.325 10.954 ( 0.000 -0.212 2.315) 2.325 11.607 ( 0.000 0.359 -13.599) 13.604 11.607 ( 0.000 0.359 13.599) 13.604 12.553 ( 0.000 -0.036 -1.229) 1.230 12.553 ( 0.000 -0.036 1.229) 1.230 13.091 ( 0.000 -4.887 -1.128) 5.016 13.091 ( 0.000 -4.887 1.128) 5.016 13.570 ( 0.000 2.512 -6.263) 6.748 13.570 ( 0.000 2.512 6.263) 6.748 13.886 ( 0.000 3.160 -8.640) 9.200 13.886 ( 0.000 3.160 8.640) 9.200 14.226 ( 0.000 4.092 -2.257) 4.673 14.226 ( 0.000 4.092 2.257) 4.673 14.595 ( 0.000 1.022 -5.572) 5.665 14.595 ( 0.000 1.022 5.572) 5.665 14.965 ( 0.000 -7.555 -1.637) 7.730 14.965 ( 0.000 -7.555 1.637) 7.730 15.303 ( 0.000 6.910 -0.206) 6.913 15.303 ( 0.000 6.910 0.206) 6.913 16.037 ( 0.000 -2.153 -1.476) 2.611 16.037 ( 0.000 -2.153 1.476) 2.611 16.439 ( 0.000 -6.156 -0.646) 6.190 16.439 ( 0.000 -6.156 0.646) 6.190 17.223 ( 0.000 3.879 -3.276) 5.077 17.223 ( 0.000 3.879 3.276) 5.077 18.348 ( 0.000 -9.110 -10.675) 14.033 18.348 ( 0.000 -9.110 10.675) 14.033 24.423 ( 0.000 0.390 -0.526) 0.654 24.423 ( 0.000 0.390 0.526) 0.654 24.682 ( 0.000 -1.499 -3.962) 4.236 24.682 ( 0.000 -1.499 3.962) 4.236 25.295 ( 0.000 -3.370 -0.168) 3.374 25.295 ( 0.000 -3.370 0.168) 3.374 26.050 ( 0.000 -3.197 -2.157) 3.856 26.050 ( 0.000 -3.197 2.157) 3.856 26.197 ( 0.000 9.978 -2.471) 10.279 26.197 ( 0.000 9.978 2.471) 10.279 26.507 ( 0.000 10.062 -4.579) 11.055 26.507 ( 0.000 10.062 4.579) 11.055 29.361 ( 0.000 0.941 -2.060) 2.265 29.361 ( 0.000 0.941 2.060) 2.265 30.585 ( 0.000 -8.175 -11.947) 14.476 30.585 ( 0.000 -8.175 11.947) 14.476 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.658 ( 0.439 11.441 -5.110) 12.538 4.658 ( 0.439 11.441 5.110) 12.538 4.878 ( -3.166 11.779 -15.867) 20.013 4.878 ( -3.166 11.779 15.867) 20.013 5.020 ( 3.122 16.221 -18.409) 24.734 5.020 ( 3.122 16.221 18.409) 24.734 5.224 ( -0.803 17.495 -8.732) 19.569 5.224 ( -0.803 17.495 8.732) 19.569 5.400 ( 1.016 2.616 -17.885) 18.104 5.400 ( 1.016 2.616 17.885) 18.104 5.820 ( 4.735 1.870 -23.477) 24.022 5.820 ( 4.735 1.870 23.477) 24.023 6.219 ( -3.687 8.418 -5.522) 10.721 6.219 ( -3.687 8.418 5.522) 10.721 7.564 ( 8.691 -9.797 -13.673) 18.933 7.564 ( 8.691 -9.797 13.673) 18.933 7.837 ( 3.742 0.366 -11.923) 12.502 7.837 ( 3.742 0.366 11.923) 12.502 8.124 ( -1.105 -13.825 -7.778) 15.901 8.124 ( -1.105 -13.825 7.778) 15.901 8.430 ( -3.353 -7.950 -7.209) 11.244 8.430 ( -3.353 -7.950 7.209) 11.244 8.576 ( -11.363 -5.739 -5.943) 14.049 8.576 ( -11.363 -5.739 5.943) 14.049 8.803 ( -9.551 -0.979 -5.501) 11.066 8.803 ( -9.551 -0.979 5.501) 11.066 8.974 ( -0.785 7.061 -3.148) 7.771 8.974 ( -0.785 7.061 3.148) 7.771 9.314 ( 7.690 0.209 -3.882) 8.617 9.314 ( 7.690 0.209 3.882) 8.617 9.736 ( 1.578 2.036 -5.021) 5.643 9.736 ( 1.578 2.037 5.021) 5.643 9.938 ( 10.593 5.253 -6.304) 13.399 9.938 ( 10.593 5.253 6.304) 13.399 10.421 ( -3.970 -1.751 -15.048) 15.661 10.421 ( -3.970 -1.751 15.048) 15.661 10.787 ( 0.076 -6.031 -7.647) 9.740 10.787 ( 0.076 -6.031 7.647) 9.740 10.859 ( -0.344 1.381 -3.495) 3.774 10.859 ( -0.344 1.381 3.495) 3.774 10.992 ( 3.623 -0.750 -2.775) 4.625 10.992 ( 3.623 -0.750 2.775) 4.625 11.526 ( -7.471 1.571 -12.713) 14.829 11.526 ( -7.471 1.571 12.713) 14.829 12.546 ( -0.405 -0.591 -1.209) 1.406 12.546 ( -0.405 -0.591 1.209) 1.406 13.119 ( 2.188 -5.932 -2.578) 6.828 13.119 ( 2.188 -5.932 2.578) 6.828 13.603 ( 3.087 2.959 -6.733) 7.976 13.603 ( 3.087 2.959 6.733) 7.976 13.855 ( -3.047 3.343 -8.556) 9.678 13.855 ( -3.047 3.343 8.556) 9.678 14.267 ( 4.211 3.457 -2.714) 6.087 14.267 ( 4.211 3.457 2.714) 6.087 14.587 ( -1.120 -0.276 -5.807) 5.920 14.587 ( -1.120 -0.276 5.807) 5.920 14.952 ( -1.241 -5.589 -1.854) 6.017 14.952 ( -1.241 -5.589 1.854) 6.017 15.280 ( -2.007 6.835 -0.359) 7.132 15.280 ( -2.007 6.835 0.359) 7.132 16.033 ( -0.378 -1.732 -1.188) 2.134 16.033 ( -0.378 -1.732 1.188) 2.134 16.441 ( 0.099 -6.215 -0.468) 6.233 16.441 ( 0.099 -6.215 0.468) 6.233 17.257 ( 3.145 3.446 -3.008) 5.551 17.257 ( 3.145 3.446 3.008) 5.551 18.312 ( -3.223 -8.913 -8.869) 12.980 18.312 ( -3.223 -8.913 8.869) 12.980 24.457 ( 3.179 0.441 -0.223) 3.217 24.457 ( 3.179 0.441 0.223) 3.217 24.662 ( -1.965 -1.051 -3.494) 4.144 24.662 ( -1.965 -1.051 3.494) 4.144 25.349 ( 5.205 -3.993 -1.200) 6.669 25.349 ( 5.205 -3.993 1.200) 6.669 26.003 ( -4.726 -4.500 -4.497) 7.925 26.003 ( -4.726 -4.500 4.497) 7.925 26.189 ( -0.555 11.420 -2.445) 11.692 26.189 ( -0.555 11.420 2.445) 11.692 26.505 ( -0.190 10.024 -3.989) 10.790 26.505 ( -0.190 10.024 3.989) 10.790 29.364 ( 0.258 0.937 -1.697) 1.955 29.364 ( 0.258 0.937 1.697) 1.955 30.577 ( -0.705 -8.116 -9.673) 12.646 30.577 ( -0.705 -8.116 9.673) 12.646 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.694 ( 3.216 5.294 -4.418) 7.609 4.694 ( 3.216 5.294 4.418) 7.609 4.785 ( -5.354 8.933 -6.254) 12.148 4.785 ( -5.354 8.933 6.254) 12.148 5.059 ( 1.371 20.496 -11.204) 23.398 5.059 ( 1.371 20.496 11.204) 23.398 5.197 ( -1.437 18.481 -7.679) 20.064 5.197 ( -1.437 18.481 7.679) 20.064 5.507 ( 6.031 3.433 -13.893) 15.529 5.507 ( 6.031 3.433 13.893) 15.529 5.858 ( -0.213 3.593 -15.822) 16.226 5.858 ( -0.213 3.593 15.822) 16.226 6.149 ( -2.561 7.705 -2.746) 8.571 6.149 ( -2.561 7.705 2.746) 8.571 7.774 ( 10.704 -9.840 -10.265) 17.798 7.774 ( 10.704 -9.840 10.265) 17.798 7.901 ( 0.589 -4.735 -7.006) 8.477 7.901 ( 0.589 -4.735 7.006) 8.477 8.110 ( 1.757 -13.317 -8.468) 15.879 8.110 ( 1.757 -13.317 8.468) 15.879 8.273 ( -11.285 -8.757 -1.991) 14.422 8.273 ( -11.285 -8.757 1.991) 14.422 8.441 ( -2.578 -1.265 -2.701) 3.943 8.441 ( -2.578 -1.265 2.701) 3.943 8.622 ( -5.499 2.894 -2.862) 6.842 8.622 ( -5.499 2.894 2.862) 6.842 8.977 ( 0.193 13.515 -0.442) 13.523 8.977 ( 0.193 13.515 0.442) 13.523 9.436 ( 3.693 -1.636 -1.028) 4.168 9.436 ( 3.693 -1.636 1.028) 4.168 9.772 ( 1.527 -4.448 -3.463) 5.840 9.772 ( 1.527 -4.448 3.463) 5.840 10.127 ( 7.345 3.569 -11.516) 14.118 10.127 ( 7.345 3.569 11.516) 14.118 10.321 ( -5.260 -0.794 -12.253) 13.358 10.321 ( -5.260 -0.794 12.253) 13.358 10.796 ( 0.572 -4.855 -3.734) 6.151 10.796 ( 0.572 -4.855 3.734) 6.151 10.850 ( -0.411 1.407 -2.324) 2.748 10.850 ( -0.411 1.407 2.324) 2.748 11.081 ( 4.555 -2.531 -4.881) 7.140 11.081 ( 4.555 -2.531 4.881) 7.140 11.365 ( -7.006 3.608 -8.033) 11.253 11.365 ( -7.006 3.608 8.033) 11.253 12.542 ( -0.022 -1.050 -0.513) 1.169 12.542 ( -0.022 -1.050 0.513) 1.169 13.152 ( 0.863 -7.187 -1.294) 7.353 13.152 ( 0.863 -7.187 1.294) 7.353 13.680 ( 4.588 3.252 -7.455) 9.338 13.680 ( 4.588 3.252 7.455) 9.338 13.776 ( -4.691 3.763 -8.113) 10.099 13.776 ( -4.691 3.763 8.113) 10.099 14.376 ( 5.710 3.147 -3.414) 7.360 14.376 ( 5.710 3.147 3.414) 7.360 14.541 ( -3.388 -4.297 -4.865) 7.322 14.541 ( -3.388 -4.297 4.865) 7.322 14.926 ( -0.983 -0.408 -1.190) 1.596 14.926 ( -0.983 -0.408 1.190) 1.596 15.244 ( -1.173 5.813 -0.297) 5.938 15.244 ( -1.173 5.813 0.297) 5.938 16.025 ( -0.270 -1.089 -0.453) 1.210 16.025 ( -0.270 -1.089 0.453) 1.210 16.442 ( 0.071 -6.276 -0.147) 6.278 16.442 ( 0.071 -6.276 0.147) 6.278 17.319 ( 2.206 2.775 -1.421) 3.820 17.319 ( 2.206 2.775 1.421) 3.820 18.250 ( -2.238 -8.601 -3.593) 9.586 18.250 ( -2.238 -8.601 3.593) 9.586 24.532 ( 4.049 0.337 -0.804) 4.142 24.532 ( 4.049 0.337 0.804) 4.142 24.609 ( -3.317 -0.224 -2.272) 4.027 24.609 ( -3.317 -0.224 2.272) 4.027 25.467 ( 5.164 -5.048 -1.686) 7.416 25.467 ( 5.164 -5.048 1.686) 7.416 25.891 ( -5.088 -5.164 -3.653) 8.118 25.891 ( -5.088 -5.164 3.653) 8.118 26.182 ( -0.122 12.480 -1.334) 12.551 26.182 ( -0.122 12.480 1.334) 12.551 26.501 ( -0.106 9.924 -1.669) 10.064 26.501 ( -0.106 9.924 1.669) 10.064 29.369 ( 0.162 0.929 -0.668) 1.155 29.369 ( 0.162 0.929 0.668) 1.155 30.564 ( -0.437 -8.020 -3.700) 8.843 30.564 ( -0.437 -8.020 3.700) 8.843 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.026 ( 0.000 13.332 -15.965) 20.800 5.026 ( 0.000 13.332 15.965) 20.800 5.115 ( 0.000 13.099 -20.628) 24.436 5.115 ( 0.000 13.099 20.628) 24.436 5.386 ( 0.000 19.515 -17.978) 26.534 5.386 ( 0.000 19.515 17.978) 26.534 5.544 ( 0.000 8.511 -27.113) 28.417 5.544 ( 0.000 8.511 27.113) 28.417 5.713 ( 0.000 26.139 -2.081) 26.221 5.713 ( 0.000 26.139 2.081) 26.221 5.825 ( 0.000 9.281 -3.715) 9.997 5.825 ( 0.000 9.281 3.715) 9.997 6.513 ( 0.000 15.034 -13.036) 19.898 6.513 ( 0.000 15.034 13.036) 19.898 7.250 ( 0.000 -11.393 -16.932) 20.408 7.250 ( 0.000 -11.393 16.932) 20.408 7.757 ( 0.000 -9.500 -2.598) 9.849 7.757 ( 0.000 -9.500 2.598) 9.849 7.797 ( 0.000 -14.148 -6.032) 15.380 7.797 ( 0.000 -14.148 6.032) 15.380 8.263 ( 0.000 -9.442 -1.165) 9.514 8.263 ( 0.000 -9.442 1.166) 9.514 8.640 ( 0.000 -5.081 -6.718) 8.423 8.640 ( 0.000 -5.081 6.718) 8.423 8.690 ( 0.000 -4.289 -4.537) 6.244 8.690 ( 0.000 -4.289 4.538) 6.244 9.139 ( 0.000 5.343 -1.327) 5.506 9.139 ( 0.000 5.343 1.327) 5.506 9.266 ( 0.000 1.253 -13.537) 13.594 9.266 ( 0.000 1.253 13.537) 13.594 9.819 ( 0.000 3.265 -12.018) 12.454 9.819 ( 0.000 3.265 12.018) 12.454 9.895 ( 0.000 -0.219 -11.671) 11.673 9.895 ( 0.000 -0.219 11.671) 11.673 10.404 ( 0.000 -3.029 -11.471) 11.864 10.404 ( 0.000 -3.029 11.471) 11.864 10.654 ( 0.000 -4.999 -7.302) 8.850 10.654 ( 0.000 -4.999 7.302) 8.850 10.886 ( 0.000 0.853 -1.286) 1.544 10.886 ( 0.000 0.853 1.286) 1.544 10.956 ( 0.000 0.355 -1.671) 1.709 10.956 ( 0.000 0.355 1.671) 1.709 11.596 ( 0.000 -1.934 -10.797) 10.969 11.596 ( 0.000 -1.934 10.797) 10.969 12.535 ( 0.000 -1.627 -0.999) 1.909 12.535 ( 0.000 -1.627 0.999) 1.909 12.944 ( 0.000 -8.196 -1.242) 8.290 12.944 ( 0.000 -8.196 1.242) 8.290 13.649 ( 0.000 4.954 -5.652) 7.516 13.649 ( 0.000 4.954 5.652) 7.516 13.981 ( 0.000 4.885 -7.731) 9.145 13.981 ( 0.000 4.885 7.731) 9.145 14.341 ( 0.000 6.203 -2.630) 6.737 14.341 ( 0.000 6.203 2.630) 6.737 14.626 ( 0.000 1.570 -1.042) 1.884 14.626 ( 0.000 1.570 1.042) 1.884 14.854 ( 0.000 -1.918 -1.400) 2.374 14.854 ( 0.000 -1.918 1.400) 2.374 15.413 ( 0.000 3.454 -1.839) 3.913 15.413 ( 0.000 3.454 1.839) 3.913 15.974 ( 0.000 -3.678 -2.450) 4.419 15.974 ( 0.000 -3.678 2.450) 4.419 16.281 ( 0.000 -8.400 -1.336) 8.505 16.281 ( 0.000 -8.400 1.336) 8.505 17.321 ( 0.000 5.212 -2.638) 5.841 17.321 ( 0.000 5.212 2.638) 5.841 18.108 ( 0.000 -12.804 -7.355) 14.766 18.108 ( 0.000 -12.804 7.355) 14.766 24.434 ( 0.000 0.546 -0.498) 0.739 24.434 ( 0.000 0.546 0.498) 0.739 24.651 ( 0.000 -1.183 -3.034) 3.256 24.651 ( 0.000 -1.183 3.034) 3.256 25.226 ( 0.000 -2.750 -0.268) 2.763 25.226 ( 0.000 -2.750 0.268) 2.763 25.942 ( 0.000 -5.991 -3.439) 6.908 25.942 ( 0.000 -5.991 3.439) 6.908 26.483 ( 0.000 14.930 -1.827) 15.042 26.483 ( 0.000 14.930 1.827) 15.042 26.740 ( 0.000 11.211 -3.790) 11.834 26.740 ( 0.000 11.211 3.790) 11.834 29.403 ( 0.000 3.364 -0.772) 3.452 29.403 ( 0.000 3.364 0.772) 3.452 30.351 ( 0.000 -13.614 -9.338) 16.509 30.351 ( 0.000 -13.614 9.338) 16.509 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.842 ( -8.359 7.311 -7.586) 13.449 4.842 ( -8.359 7.311 7.586) 13.449 5.192 ( -7.200 12.001 -1.123) 14.040 5.192 ( -7.200 12.001 1.123) 14.040 5.446 ( 12.409 18.035 -15.509) 26.829 5.446 ( 12.409 18.035 15.509) 26.829 5.545 ( 1.572 16.763 -15.143) 22.644 5.545 ( 1.572 16.763 15.143) 22.644 5.705 ( -0.413 26.690 -3.510) 26.923 5.705 ( -0.413 26.690 3.510) 26.923 5.917 ( 5.577 8.023 -18.394) 20.827 5.917 ( 5.577 8.023 18.394) 20.827 6.456 ( -5.012 13.839 -8.588) 17.041 6.456 ( -5.012 13.839 8.588) 17.041 7.342 ( 8.684 -10.996 -14.517) 20.176 7.342 ( 8.684 -10.996 14.517) 20.176 7.749 ( -0.644 -11.885 -9.754) 15.388 7.749 ( -0.644 -11.885 9.754) 15.388 7.802 ( 0.312 -12.383 -6.113) 13.813 7.802 ( 0.312 -12.383 6.113) 13.813 8.239 ( -3.990 -9.504 -2.606) 10.632 8.239 ( -3.990 -9.504 2.606) 10.632 8.496 ( -6.354 -0.579 -9.207) 11.202 8.496 ( -6.354 -0.579 9.207) 11.202 8.755 ( -0.401 -3.329 -6.893) 7.665 8.755 ( -0.401 -3.329 6.893) 7.665 9.088 ( -0.813 2.802 -4.069) 5.007 9.088 ( -0.813 2.802 4.069) 5.007 9.347 ( 5.428 2.606 -8.157) 10.139 9.347 ( 5.428 2.606 8.157) 10.139 9.720 ( -6.197 -4.515 -8.354) 11.339 9.720 ( -6.197 -4.515 8.354) 11.339 10.052 ( 10.731 4.995 -4.693) 12.733 10.052 ( 10.731 4.995 4.693) 12.733 10.378 ( -2.344 -1.684 -11.464) 11.822 10.378 ( -2.344 -1.684 11.464) 11.822 10.662 ( 1.199 -4.910 -6.652) 8.355 10.662 ( 1.199 -4.910 6.652) 8.355 10.890 ( -0.156 0.905 -4.418) 4.513 10.890 ( -0.156 0.905 4.418) 4.513 10.978 ( 2.187 -0.212 -2.865) 3.611 10.978 ( 2.187 -0.212 2.865) 3.611 11.527 ( -6.587 -2.130 -10.315) 12.423 11.527 ( -6.587 -2.130 10.315) 12.423 12.523 ( -0.827 -1.489 -1.161) 2.062 12.523 ( -0.827 -1.489 1.161) 2.062 12.949 ( 0.359 -9.420 -0.904) 9.470 12.949 ( 0.359 -9.420 0.904) 9.470 13.685 ( 3.197 4.757 -6.270) 8.494 13.685 ( 3.197 4.757 6.270) 8.494 13.951 ( -2.824 4.869 -7.669) 9.513 13.951 ( -2.824 4.869 7.669) 9.513 14.357 ( 1.841 4.885 -2.580) 5.823 14.357 ( 1.841 4.885 2.580) 5.823 14.596 ( -2.842 1.111 -3.214) 4.432 14.596 ( -2.842 1.111 3.214) 4.432 14.892 ( 3.454 0.460 -3.900) 5.230 14.892 ( 3.454 0.460 3.900) 5.230 15.389 ( -2.362 3.244 -2.003) 4.485 15.389 ( -2.362 3.244 2.003) 4.485 15.980 ( 0.513 -3.149 -1.990) 3.760 15.980 ( 0.513 -3.149 1.990) 3.760 16.277 ( -0.267 -8.738 -1.034) 8.803 16.277 ( -0.267 -8.738 1.034) 8.803 17.345 ( 2.277 4.754 -2.410) 5.796 17.345 ( 2.277 4.754 2.410) 5.796 18.079 ( -2.621 -12.364 -6.165) 14.062 18.079 ( -2.621 -12.364 6.165) 14.062 24.469 ( 3.309 0.693 -0.390) 3.403 24.469 ( 3.309 0.693 0.390) 3.403 24.641 ( -1.090 -0.784 -2.652) 2.972 24.641 ( -1.090 -0.784 2.652) 2.972 25.268 ( 4.168 -3.205 -0.938) 5.340 25.268 ( 4.168 -3.205 0.938) 5.340 25.884 ( -5.506 -6.338 -3.617) 9.142 25.884 ( -5.506 -6.338 3.617) 9.142 26.486 ( 0.331 15.304 -1.210) 15.355 26.486 ( 0.331 15.304 1.210) 15.355 26.736 ( -0.315 11.063 -3.158) 11.509 26.736 ( -0.315 11.063 3.158) 11.509 29.405 ( 0.245 3.357 -0.698) 3.438 29.405 ( 0.245 3.357 0.698) 3.438 30.344 ( -0.582 -13.551 -7.572) 15.534 30.344 ( -0.582 -13.551 7.572) 15.534 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.742 ( -2.155 3.337 -3.512) 5.302 4.742 ( -2.155 3.337 3.512) 5.302 5.037 ( -5.332 6.684 -1.793) 8.736 5.037 ( -5.332 6.684 1.793) 8.736 5.582 ( 2.769 26.071 -6.273) 26.957 5.582 ( 2.769 26.071 6.273) 26.957 5.637 ( 0.608 23.416 -5.866) 24.148 5.637 ( 0.608 23.416 5.866) 24.148 5.749 ( 6.527 20.440 -12.395) 24.780 5.749 ( 6.527 20.440 12.395) 24.780 5.980 ( 0.924 8.061 -14.998) 17.052 5.980 ( 0.924 8.061 14.998) 17.052 6.356 ( -3.987 11.647 -2.362) 12.535 6.356 ( -3.987 11.647 2.362) 12.535 7.542 ( 9.949 -11.598 -10.976) 18.814 7.542 ( 9.949 -11.598 10.976) 18.814 7.704 ( -4.563 -15.567 -9.250) 18.674 7.704 ( -4.563 -15.567 9.250) 18.674 7.836 ( 3.493 -8.856 -5.963) 11.233 7.836 ( 3.493 -8.856 5.963) 11.233 8.087 ( -8.655 -8.836 -3.934) 12.979 8.087 ( -8.655 -8.836 3.934) 12.979 8.451 ( 0.005 2.323 -4.221) 4.818 8.451 ( 0.005 2.323 4.221) 4.818 8.690 ( -3.317 3.568 -3.537) 6.021 8.690 ( -3.317 3.568 3.537) 6.021 9.150 ( 4.550 -0.247 -3.270) 5.609 9.150 ( 4.550 -0.247 3.270) 5.609 9.415 ( 0.735 -0.104 -4.315) 4.379 9.415 ( 0.735 -0.104 4.315) 4.379 9.611 ( -3.590 -9.108 -4.262) 10.678 9.611 ( -3.590 -9.108 4.262) 10.678 10.229 ( 5.646 6.107 -10.420) 13.332 10.229 ( 5.646 6.107 10.420) 13.332 10.332 ( -1.761 2.016 -10.702) 11.032 10.332 ( -1.761 2.016 10.702) 11.032 10.714 ( 3.550 -2.966 -3.934) 6.072 10.714 ( 3.550 -2.966 3.934) 6.072 10.868 ( -1.939 -0.415 -3.596) 4.106 10.868 ( -1.939 -0.415 3.596) 4.106 11.027 ( 2.076 -1.662 -3.749) 4.596 11.027 ( 2.076 -1.662 3.749) 4.596 11.384 ( -5.909 -2.787 -6.107) 8.944 11.384 ( -5.909 -2.787 6.107) 8.944 12.514 ( -0.132 -1.428 -0.468) 1.508 12.514 ( -0.132 -1.428 0.468) 1.508 12.954 ( 0.128 -10.927 -0.304) 10.932 12.954 ( 0.128 -10.927 0.304) 10.932 13.752 ( 2.919 3.498 -5.193) 6.908 13.752 ( 2.919 3.498 5.193) 6.908 13.886 ( -3.009 5.727 -5.569) 8.536 13.886 ( -3.009 5.727 5.569) 8.536 14.413 ( 3.280 1.524 -2.150) 4.207 14.413 ( 3.280 1.524 2.150) 4.207 14.527 ( -3.570 2.331 -2.613) 5.000 14.527 ( -3.570 2.331 2.613) 5.000 14.961 ( 2.650 4.073 -2.309) 5.380 14.961 ( 2.650 4.073 2.309) 5.380 15.336 ( -2.147 2.241 -1.292) 3.362 15.336 ( -2.147 2.241 1.292) 3.362 15.989 ( 0.290 -2.190 -0.769) 2.339 15.989 ( 0.290 -2.190 0.769) 2.339 16.273 ( -0.131 -9.312 -0.363) 9.320 16.273 ( -0.131 -9.312 0.363) 9.320 17.391 ( 1.669 3.977 -1.150) 4.463 17.391 ( 1.669 3.977 1.150) 4.463 18.028 ( -1.860 -11.627 -2.548) 12.047 18.028 ( -1.860 -11.627 2.548) 12.047 24.543 ( 3.703 0.707 -0.343) 3.785 24.543 ( 3.703 0.707 0.343) 3.785 24.607 ( -2.404 0.070 -1.599) 2.888 24.607 ( -2.404 0.070 1.599) 2.888 25.369 ( 4.684 -3.621 -1.153) 6.032 25.369 ( 4.684 -3.621 1.153) 6.032 25.760 ( -5.472 -7.139 -2.341) 9.295 25.760 ( -5.472 -7.139 2.341) 9.295 26.493 ( 0.250 15.890 -0.336) 15.895 26.493 ( 0.250 15.890 0.336) 15.895 26.730 ( -0.213 10.783 -1.270) 10.860 26.730 ( -0.213 10.783 1.270) 10.860 29.410 ( 0.154 3.347 -0.309) 3.365 29.410 ( 0.154 3.347 0.309) 3.365 30.333 ( -0.362 -13.451 -2.904) 13.765 30.333 ( -0.362 -13.451 2.904) 13.765 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.216 ( 0.000 6.162 -13.555) 14.890 5.216 ( 0.000 6.162 13.555) 14.890 5.388 ( 0.000 10.705 -14.032) 17.649 5.388 ( 0.000 10.705 14.032) 17.649 5.542 ( 0.000 2.026 -17.826) 17.941 5.542 ( 0.000 2.026 17.826) 17.941 5.900 ( 0.000 17.300 -15.559) 23.268 5.900 ( 0.000 17.300 15.559) 23.268 6.030 ( 0.000 11.037 -0.535) 11.050 6.030 ( 0.000 11.037 0.535) 11.050 6.274 ( 0.000 21.818 -4.323) 22.242 6.274 ( 0.000 21.818 4.323) 22.242 6.805 ( 0.000 5.926 -12.892) 14.188 6.805 ( 0.000 5.926 12.892) 14.188 7.057 ( 0.000 -1.576 -16.751) 16.825 7.057 ( 0.000 -1.576 16.751) 16.825 7.433 ( 0.000 -13.488 -6.959) 15.177 7.433 ( 0.000 -13.488 6.959) 15.177 7.596 ( 0.000 -9.376 -0.475) 9.388 7.596 ( 0.000 -9.376 0.475) 9.388 8.117 ( 0.000 -4.059 -1.014) 4.184 8.117 ( 0.000 -4.059 1.014) 4.184 8.556 ( 0.000 -5.261 -0.295) 5.269 8.556 ( 0.000 -5.261 0.295) 5.269 8.660 ( 0.000 2.725 -4.486) 5.248 8.660 ( 0.000 2.725 4.486) 5.248 9.154 ( 0.000 -3.149 -5.781) 6.583 9.154 ( 0.000 -3.149 5.781) 6.583 9.356 ( 0.000 7.061 -8.694) 11.200 9.356 ( 0.000 7.061 8.694) 11.200 9.706 ( 0.000 -10.953 -9.459) 14.472 9.706 ( 0.000 -10.953 9.459) 14.472 9.926 ( 0.000 2.476 -3.750) 4.494 9.926 ( 0.000 2.476 3.750) 4.494 10.355 ( 0.000 -2.109 -6.022) 6.381 10.355 ( 0.000 -2.109 6.022) 6.381 10.604 ( 0.000 -0.319 -3.284) 3.299 10.604 ( 0.000 -0.319 3.284) 3.299 10.888 ( 0.000 -0.658 -6.385) 6.419 10.888 ( 0.000 -0.658 6.385) 6.419 10.960 ( 0.000 -0.134 -6.887) 6.888 10.960 ( 0.000 -0.134 6.887) 6.888 11.530 ( 0.000 -3.507 -6.493) 7.380 11.530 ( 0.000 -3.507 6.493) 7.380 12.487 ( 0.000 -2.858 -2.385) 3.723 12.487 ( 0.000 -2.858 2.385) 3.723 12.808 ( 0.000 -3.750 -1.837) 4.176 12.808 ( 0.000 -3.750 1.837) 4.176 13.759 ( 0.000 4.810 -4.080) 6.307 13.759 ( 0.000 4.810 4.080) 6.307 14.043 ( 0.000 0.678 -3.300) 3.369 14.043 ( 0.000 0.678 3.300) 3.369 14.440 ( 0.000 2.936 -2.558) 3.894 14.440 ( 0.000 2.936 2.558) 3.894 14.671 ( 0.000 2.602 -0.745) 2.706 14.671 ( 0.000 2.602 0.745) 2.706 14.899 ( 0.000 5.165 -3.846) 6.440 14.899 ( 0.000 5.165 3.846) 6.440 15.450 ( 0.000 0.368 -1.777) 1.815 15.450 ( 0.000 0.368 1.777) 1.815 15.892 ( 0.000 -3.864 -3.915) 5.501 15.892 ( 0.000 -3.864 3.915) 5.501 16.118 ( 0.000 -6.359 -0.279) 6.365 16.118 ( 0.000 -6.359 0.279) 6.365 17.434 ( 0.000 5.509 -2.279) 5.962 17.434 ( 0.000 5.509 2.279) 5.962 17.853 ( 0.000 -10.784 -4.369) 11.636 17.853 ( 0.000 -10.784 4.369) 11.636 24.443 ( 0.000 0.335 -0.339) 0.477 24.443 ( 0.000 0.335 0.339) 0.477 24.637 ( 0.000 -0.243 -1.485) 1.505 24.637 ( 0.000 -0.243 1.485) 1.505 25.187 ( 0.000 -1.038 -0.459) 1.135 25.187 ( 0.000 -1.038 0.459) 1.135 25.826 ( 0.000 -4.526 -2.048) 4.968 25.826 ( 0.000 -4.526 2.048) 4.968 26.752 ( 0.000 9.716 -2.669) 10.076 26.752 ( 0.000 9.716 2.669) 10.076 26.939 ( 0.000 7.213 -3.124) 7.861 26.939 ( 0.000 7.213 3.124) 7.861 29.515 ( 0.000 7.527 -1.106) 7.608 29.515 ( 0.000 7.527 1.106) 7.608 30.046 ( 0.000 -14.797 -6.249) 16.063 30.046 ( 0.000 -14.797 6.249) 16.063 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.987 ( -11.892 6.098 -5.924) 14.618 4.987 ( -11.892 6.098 5.924) 14.618 5.298 ( -13.644 1.047 -5.898) 14.901 5.298 ( -13.644 1.047 5.898) 14.901 5.734 ( 17.587 9.584 -9.986) 22.380 5.734 ( 17.587 9.584 9.986) 22.380 5.970 ( 4.941 19.179 -12.351) 23.341 5.970 ( 4.941 19.179 12.351) 23.341 6.120 ( 6.419 10.206 -7.770) 14.344 6.120 ( 6.419 10.206 7.770) 14.344 6.265 ( -1.029 23.051 -5.721) 23.772 6.265 ( -1.029 23.051 5.721) 23.772 6.723 ( -6.719 7.244 -6.586) 11.874 6.723 ( -6.719 7.244 6.586) 11.874 7.146 ( 6.613 -6.531 -9.061) 12.980 7.146 ( 6.613 -6.531 9.062) 12.981 7.438 ( 0.895 -11.479 -7.034) 13.492 7.438 ( 0.895 -11.479 7.034) 13.492 7.607 ( 1.466 -8.346 -1.433) 8.595 7.607 ( 1.466 -8.346 1.433) 8.595 8.101 ( -2.891 -2.583 -3.685) 5.348 8.101 ( -2.891 -2.583 3.685) 5.348 8.519 ( -1.776 -0.734 -4.517) 4.909 8.519 ( -1.776 -0.734 4.517) 4.909 8.681 ( 1.866 -1.820 -4.234) 4.972 8.681 ( 1.866 -1.820 4.234) 4.972 9.078 ( -6.197 -2.768 -1.026) 6.864 9.078 ( -6.197 -2.768 1.026) 6.864 9.408 ( 2.860 2.116 -4.710) 5.903 9.408 ( 2.860 2.116 4.710) 5.903 9.570 ( -7.741 -7.140 -6.003) 12.122 9.570 ( -7.741 -7.140 6.003) 12.122 10.138 ( 15.328 3.091 -4.926) 16.394 10.138 ( 15.328 3.091 4.926) 16.394 10.359 ( 0.450 -0.692 -5.990) 6.046 10.359 ( 0.450 -0.692 5.990) 6.046 10.591 ( -0.663 -2.011 -4.283) 4.778 10.591 ( -0.663 -2.011 4.283) 4.778 10.889 ( -0.328 -0.664 -6.596) 6.638 10.889 ( -0.328 -0.664 6.596) 6.638 10.980 ( 1.898 0.015 -7.291) 7.534 10.980 ( 1.898 0.015 7.291) 7.534 11.448 ( -7.960 -4.217 -6.835) 11.308 11.448 ( -7.960 -4.217 6.835) 11.308 12.488 ( 0.220 -1.874 -2.315) 2.986 12.488 ( 0.220 -1.874 2.315) 2.986 12.779 ( -2.503 -5.662 -1.416) 6.351 12.779 ( -2.503 -5.662 1.416) 6.351 13.788 ( 2.437 4.553 -4.988) 7.180 13.788 ( 2.437 4.553 4.988) 7.180 14.014 ( -2.580 0.785 -3.672) 4.556 14.014 ( -2.580 0.785 3.672) 4.556 14.451 ( 1.281 3.653 -2.260) 4.483 14.451 ( 1.281 3.653 2.260) 4.483 14.643 ( -2.498 3.128 -0.265) 4.012 14.643 ( -2.498 3.128 0.265) 4.012 14.957 ( 5.285 4.659 -3.318) 7.787 14.957 ( 5.285 4.659 3.318) 7.787 15.415 ( -3.494 -0.402 -2.496) 4.313 15.415 ( -3.494 -0.402 2.496) 4.313 15.912 ( 1.798 -3.107 -3.194) 4.805 15.912 ( 1.798 -3.107 3.194) 4.805 16.107 ( -1.006 -6.652 -0.062) 6.728 16.107 ( -1.006 -6.652 0.062) 6.728 17.451 ( 1.593 5.291 -2.043) 5.892 17.451 ( 1.593 5.291 2.043) 5.892 17.834 ( -1.791 -10.433 -3.742) 11.228 17.834 ( -1.791 -10.433 3.742) 11.228 24.483 ( 3.578 0.490 -0.360) 3.629 24.483 ( 3.578 0.490 0.360) 3.629 24.632 ( -0.540 -0.093 -1.320) 1.429 24.632 ( -0.540 -0.093 1.320) 1.429 25.224 ( 3.812 -1.098 -0.797) 4.047 25.224 ( 3.812 -1.098 0.797) 4.047 25.761 ( -6.290 -4.890 -2.109) 8.242 25.761 ( -6.290 -4.890 2.109) 8.242 26.764 ( 1.138 10.147 -2.170) 10.439 26.764 ( 1.138 10.147 2.170) 10.439 26.930 ( -0.840 6.890 -2.711) 7.451 26.930 ( -0.840 6.890 2.711) 7.451 29.518 ( 0.270 7.589 -0.974) 7.656 29.518 ( 0.270 7.589 0.974) 7.656 30.040 ( -0.533 -14.837 -5.099) 15.698 30.040 ( -0.533 -14.837 5.099) 15.698 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.838 ( -3.255 5.383 -2.820) 6.894 4.838 ( -3.255 5.383 2.820) 6.894 5.066 ( -7.530 -1.914 -2.734) 8.237 5.066 ( -7.530 -1.914 2.734) 8.237 6.025 ( 8.853 13.141 -10.143) 18.814 6.025 ( 8.853 13.141 10.143) 18.814 6.079 ( 6.618 17.017 -8.197) 20.014 6.079 ( 6.618 17.017 8.197) 20.014 6.184 ( -0.990 12.241 -15.923) 20.109 6.184 ( -0.990 12.241 15.923) 20.109 6.245 ( -0.338 23.443 -3.703) 23.736 6.245 ( -0.338 23.443 3.703) 23.736 6.588 ( -5.568 7.503 -1.636) 9.485 6.588 ( -5.568 7.503 1.636) 9.485 7.235 ( 1.830 -18.947 -3.481) 19.351 7.235 ( 1.830 -18.947 3.481) 19.351 7.479 ( 2.276 -1.931 -3.967) 4.964 7.479 ( 2.276 -1.931 3.967) 4.964 7.675 ( 5.325 -6.811 -3.411) 9.294 7.675 ( 5.325 -6.811 3.411) 9.294 7.980 ( -7.678 1.329 -4.073) 8.792 7.980 ( -7.678 1.329 4.073) 8.792 8.517 ( 0.619 1.193 -3.391) 3.648 8.517 ( 0.619 1.193 3.391) 3.648 8.746 ( 4.718 -0.895 -8.158) 9.467 8.746 ( 4.718 -0.895 8.158) 9.467 8.946 ( -6.422 -12.204 -7.313) 15.610 8.946 ( -6.422 -12.204 7.313) 15.610 9.387 ( -3.044 -1.795 -2.421) 4.284 9.387 ( -3.044 -1.795 2.421) 4.284 9.516 ( 0.666 -1.727 -1.321) 2.274 9.516 ( 0.666 -1.727 1.321) 2.274 10.365 ( 2.379 5.110 -8.232) 9.977 10.365 ( 2.379 5.110 8.232) 9.977 10.388 ( 4.014 3.897 -5.455) 7.814 10.388 ( 4.014 3.897 5.455) 7.814 10.647 ( 8.580 -4.033 -5.956) 11.196 10.647 ( 8.580 -4.033 5.956) 11.196 10.842 ( -5.558 -1.195 -4.816) 7.451 10.842 ( -5.558 -1.195 4.816) 7.451 11.023 ( 2.012 0.732 -5.527) 5.927 11.023 ( 2.012 0.732 5.527) 5.927 11.266 ( -7.969 -6.784 -5.580) 11.860 11.266 ( -7.969 -6.784 5.580) 11.860 12.497 ( 0.475 0.136 -1.186) 1.285 12.497 ( 0.475 0.136 1.186) 1.285 12.733 ( -1.599 -9.333 -0.645) 9.491 12.733 ( -1.599 -9.333 0.645) 9.491 13.831 ( 1.466 4.078 -3.510) 5.577 13.831 ( 1.466 4.078 3.510) 5.577 13.965 ( -1.779 1.115 -2.711) 3.429 13.965 ( -1.779 1.115 2.711) 3.429 14.490 ( 2.252 5.049 -1.456) 5.717 14.490 ( 2.252 5.049 1.456) 5.717 14.587 ( -2.633 3.219 -0.978) 4.272 14.587 ( -2.633 3.219 0.978) 4.272 15.071 ( 4.972 5.307 -2.166) 7.588 15.071 ( 4.972 5.307 2.166) 7.588 15.329 ( -4.176 -2.523 -2.147) 5.330 15.329 ( -4.176 -2.523 2.147) 5.330 15.948 ( 1.366 -1.439 -1.374) 2.413 15.948 ( 1.366 -1.439 1.374) 2.413 16.086 ( -0.868 -7.687 -0.229) 7.740 16.086 ( -0.868 -7.687 0.229) 7.740 17.484 ( 1.243 4.999 -0.980) 5.244 17.484 ( 1.243 4.999 0.980) 5.244 17.798 ( -1.354 -9.935 -1.635) 10.159 17.798 ( -1.354 -9.935 1.635) 10.159 24.558 ( 3.546 0.636 -0.047) 3.603 24.558 ( 3.546 0.636 0.047) 3.603 24.611 ( -1.735 0.289 -0.758) 1.915 24.611 ( -1.735 0.289 0.758) 1.915 25.329 ( 5.852 -0.210 -1.027) 5.945 25.329 ( 5.852 -0.210 1.027) 5.945 25.611 ( -7.324 -6.485 -1.572) 9.908 25.611 ( -7.324 -6.485 1.572) 9.908 26.788 ( 0.915 11.219 -0.926) 11.294 26.788 ( 0.915 11.219 0.926) 11.294 26.912 ( -0.726 5.980 -1.247) 6.151 26.912 ( -0.726 5.980 1.247) 6.151 29.523 ( 0.173 7.701 -0.421) 7.714 29.523 ( 0.173 7.701 0.421) 7.714 30.030 ( -0.336 -14.914 -1.977) 15.048 30.030 ( -0.336 -14.914 1.977) 15.048 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.282 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 -0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 -0.000 -0.000) 0.000 5.562 ( 0.000 0.000 -0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 -0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 -0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 -0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.717 ( 0.000 0.000 0.000) 0.000 8.717 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 -0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 10.325 ( 0.000 0.000 0.000) 0.000 10.325 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 -0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 10.957 ( 0.000 -0.000 -0.000) 0.000 10.957 ( 0.000 0.000 -0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 11.488 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 -0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 -0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000 14.039 ( 0.000 0.000 0.000) 0.000 14.039 ( 0.000 0.000 0.000) 0.000 14.472 ( 0.000 0.000 0.000) 0.000 14.472 ( 0.000 0.000 0.000) 0.000 14.700 ( 0.000 -0.000 0.000) 0.000 14.700 ( 0.000 0.000 0.000) 0.000 14.978 ( 0.000 0.000 0.000) 0.000 14.978 ( 0.000 0.000 0.000) 0.000 15.448 ( 0.000 0.000 0.000) 0.000 15.448 ( 0.000 0.000 0.000) 0.000 15.843 ( 0.000 -0.000 0.000) 0.000 15.843 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 17.518 ( 0.000 0.000 0.000) 0.000 17.518 ( 0.000 0.000 0.000) 0.000 17.712 ( 0.000 -0.000 0.000) 0.000 17.712 ( 0.000 0.000 0.000) 0.000 24.447 ( 0.000 0.000 0.000) 0.000 24.447 ( 0.000 0.000 0.000) 0.000 24.636 ( 0.000 0.000 0.000) 0.000 24.636 ( 0.000 0.000 0.000) 0.000 25.177 ( 0.000 0.000 0.000) 0.000 25.177 ( 0.000 0.000 0.000) 0.000 25.775 ( 0.000 0.000 0.000) 0.000 25.775 ( 0.000 0.000 0.000) 0.000 26.857 ( 0.000 0.000 0.000) 0.000 26.857 ( 0.000 0.000 0.000) 0.000 27.018 ( 0.000 0.000 0.000) 0.000 27.018 ( 0.000 0.000 0.000) 0.000 29.673 ( 0.000 -0.000 0.000) 0.000 29.673 ( 0.000 0.000 0.000) 0.000 29.808 ( 0.000 -0.000 0.000) 0.000 29.808 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.060 ( -12.230 0.000 0.000) 12.230 5.060 ( -12.230 0.000 0.000) 12.230 5.301 ( -16.030 0.000 0.000) 16.030 5.301 ( -16.030 0.000 0.000) 16.030 5.835 ( 17.704 0.000 0.000) 17.704 5.835 ( 17.704 0.000 0.000) 17.704 6.189 ( 7.209 0.000 0.000) 7.209 6.189 ( 7.209 0.000 0.000) 7.209 6.280 ( 5.650 0.000 0.000) 5.650 6.280 ( 5.650 0.000 0.000) 5.650 6.512 ( 1.418 0.000 0.000) 1.418 6.512 ( 1.418 0.000 0.000) 1.418 6.768 ( -1.060 -0.000 0.000) 1.060 6.768 ( -1.060 0.000 0.000) 1.060 7.019 ( -7.721 0.000 0.000) 7.721 7.019 ( -7.721 0.000 0.000) 7.721 7.394 ( 5.878 0.000 -0.000) 5.878 7.394 ( 5.878 0.000 0.000) 5.878 7.495 ( 3.312 0.000 0.000) 3.312 7.495 ( 3.312 0.000 0.000) 3.312 8.112 ( 2.688 0.000 0.000) 2.688 8.112 ( 2.688 0.000 0.000) 2.688 8.430 ( -4.593 0.000 0.000) 4.593 8.430 ( -4.593 0.000 0.000) 4.593 8.712 ( -0.074 0.000 0.000) 0.074 8.712 ( -0.074 0.000 0.000) 0.074 9.030 ( -7.530 0.000 0.000) 7.530 9.030 ( -7.530 0.000 0.000) 7.530 9.410 ( -2.992 0.000 0.000) 2.992 9.410 ( -2.992 0.000 0.000) 2.992 9.511 ( -2.146 -0.000 0.000) 2.146 9.511 ( -2.146 0.000 0.000) 2.146 10.172 ( 18.050 0.000 0.000) 18.050 10.172 ( 18.050 0.000 0.000) 18.050 10.346 ( 2.325 0.000 0.000) 2.325 10.346 ( 2.325 0.000 0.000) 2.325 10.571 ( -3.405 0.000 0.000) 3.405 10.571 ( -3.405 0.000 0.000) 3.405 10.879 ( -0.110 0.000 -0.000) 0.110 10.879 ( -0.110 0.000 0.000) 0.110 10.978 ( 2.051 -0.000 -0.000) 2.051 10.978 ( 2.051 0.000 0.000) 2.051 11.399 ( -8.823 0.000 0.000) 8.823 11.399 ( -8.823 0.000 0.000) 8.823 12.461 ( 1.546 0.000 0.000) 1.546 12.461 ( 1.546 0.000 0.000) 1.546 12.725 ( -4.916 -0.000 0.000) 4.916 12.725 ( -4.916 0.000 0.000) 4.916 13.843 ( 2.433 0.000 0.000) 2.433 13.843 ( 2.433 0.000 0.000) 2.433 14.011 ( -2.586 0.000 -0.000) 2.586 14.011 ( -2.586 0.000 0.000) 2.586 14.494 ( 2.298 0.000 0.000) 2.298 14.494 ( 2.298 0.000 0.000) 2.298 14.682 ( -1.819 0.000 0.000) 1.819 14.682 ( -1.819 0.000 0.000) 1.819 15.023 ( 4.408 0.000 0.000) 4.408 15.023 ( 4.408 0.000 0.000) 4.408 15.401 ( -4.553 0.000 0.000) 4.553 15.401 ( -4.553 0.000 0.000) 4.553 15.873 ( 2.762 -0.000 0.000) 2.762 15.873 ( 2.762 0.000 0.000) 2.762 16.034 ( -1.363 0.000 0.000) 1.363 16.034 ( -1.363 0.000 0.000) 1.363 17.536 ( 1.793 0.000 0.000) 1.793 17.536 ( 1.793 0.000 0.000) 1.793 17.693 ( -1.840 -0.000 0.000) 1.840 17.693 ( -1.840 0.000 0.000) 1.840 24.488 ( 3.729 0.000 0.000) 3.729 24.488 ( 3.729 0.000 0.000) 3.729 24.632 ( -0.398 0.000 0.000) 0.398 24.632 ( -0.398 0.000 0.000) 0.398 25.214 ( 3.922 0.000 0.000) 3.922 25.214 ( 3.922 0.000 0.000) 3.922 25.705 ( -6.800 0.000 0.000) 6.800 25.705 ( -6.800 0.000 0.000) 6.800 26.875 ( 1.720 0.000 0.000) 1.720 26.875 ( 1.720 0.000 0.000) 1.720 27.005 ( -1.323 0.000 0.000) 1.323 27.005 ( -1.323 0.000 0.000) 1.323 29.684 ( 1.147 -0.000 0.000) 1.147 29.684 ( 1.147 0.000 0.000) 1.147 29.793 ( -1.393 -0.000 0.000) 1.393 29.793 ( -1.393 0.000 0.000) 1.393 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.921 ( -1.141 -0.000 0.000) 1.141 4.921 ( -1.141 0.000 0.000) 1.141 5.020 ( -10.775 0.000 0.000) 10.775 5.020 ( -10.775 0.000 0.000) 10.775 6.143 ( 12.501 0.000 0.000) 12.501 6.143 ( 12.501 0.000 0.000) 12.501 6.268 ( -0.067 -0.000 0.000) 0.067 6.268 ( -0.067 0.000 0.000) 0.067 6.398 ( 5.550 -0.000 0.000) 5.550 6.398 ( 5.550 0.000 0.000) 5.550 6.494 ( -3.747 0.000 0.000) 3.747 6.494 ( -3.747 0.000 0.000) 3.747 6.762 ( 1.405 -0.000 0.000) 1.405 6.762 ( 1.405 0.000 0.000) 1.405 6.851 ( -7.660 -0.000 0.000) 7.660 6.851 ( -7.660 0.000 0.000) 7.660 7.529 ( 6.094 -0.000 -0.000) 6.094 7.529 ( 6.094 0.000 0.000) 6.094 7.566 ( 2.370 0.000 0.000) 2.370 7.566 ( 2.370 0.000 0.000) 2.370 8.179 ( 4.443 0.000 0.000) 4.443 8.179 ( 4.443 0.000 0.000) 4.443 8.302 ( -7.599 -0.000 0.000) 7.599 8.302 ( -7.599 -0.000 0.000) 7.599 8.738 ( 3.397 0.000 0.000) 3.397 8.738 ( 3.397 0.000 0.000) 3.397 8.856 ( -8.401 0.000 0.000) 8.401 8.856 ( -8.401 0.000 0.000) 8.401 9.407 ( 1.867 -0.000 0.000) 1.867 9.407 ( 1.867 0.000 0.000) 1.867 9.458 ( -2.964 0.000 0.000) 2.964 9.458 ( -2.964 0.000 0.000) 2.964 10.397 ( 4.333 -0.000 0.000) 4.333 10.397 ( 4.333 0.000 0.000) 4.333 10.488 ( -4.740 -0.000 0.000) 4.740 10.488 ( -4.740 0.000 0.000) 4.740 10.566 ( 18.646 -0.000 -0.000) 18.646 10.566 ( 18.646 0.000 0.000) 18.646 10.830 ( -6.701 0.000 -0.000) 6.701 10.830 ( -6.701 0.000 0.000) 6.701 11.035 ( 4.116 -0.000 -0.000) 4.116 11.035 ( 4.116 0.000 0.000) 4.116 11.181 ( -11.278 0.000 0.000) 11.278 11.181 ( -11.278 0.000 0.000) 11.278 12.514 ( 3.955 -0.000 0.000) 3.955 12.514 ( 3.955 0.000 0.000) 3.955 12.613 ( -5.829 0.000 0.000) 5.829 12.613 ( -5.829 0.000 0.000) 5.829 13.896 ( 2.773 0.000 0.000) 2.773 13.896 ( 2.773 0.000 0.000) 2.773 13.953 ( -3.086 -0.000 -0.000) 3.086 13.953 ( -3.086 0.000 0.000) 3.086 14.557 ( 3.832 0.000 0.000) 3.832 14.557 ( 3.832 0.000 0.000) 3.832 14.631 ( -3.349 0.000 0.000) 3.349 14.631 ( -3.349 0.000 0.000) 3.349 15.139 ( 7.043 0.000 0.000) 7.043 15.139 ( 7.043 0.000 0.000) 7.043 15.282 ( -7.137 -0.000 0.000) 7.137 15.282 ( -7.137 0.000 0.000) 7.137 15.936 ( 3.343 -0.000 0.000) 3.343 15.936 ( 3.343 0.000 0.000) 3.343 15.995 ( -2.577 0.000 0.000) 2.577 15.995 ( -2.577 0.000 0.000) 2.577 17.584 ( 2.966 -0.000 0.000) 2.966 17.584 ( 2.966 0.000 0.000) 2.966 17.644 ( -2.988 -0.000 0.000) 2.988 17.644 ( -2.988 0.000 0.000) 2.988 24.566 ( 3.550 0.000 0.000) 3.550 24.566 ( 3.550 0.000 0.000) 3.550 24.615 ( -1.544 0.000 0.000) 1.544 24.615 ( -1.544 0.000 0.000) 1.544 25.337 ( 8.567 0.000 0.000) 8.567 25.337 ( 8.567 0.000 0.000) 8.567 25.530 ( -10.295 0.000 0.000) 10.295 25.530 ( -10.295 0.000 0.000) 10.295 26.919 ( 2.576 0.000 0.000) 2.576 26.919 ( 2.576 0.000 0.000) 2.576 26.968 ( -2.331 -0.000 0.000) 2.331 26.968 ( -2.331 0.000 0.000) 2.331 29.716 ( 1.978 -0.000 0.000) 1.978 29.716 ( 1.978 0.000 0.000) 1.978 29.757 ( -2.130 -0.000 0.000) 2.130 29.757 ( -2.130 0.000 0.000) 2.130 =================== 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 3/33600 10.0 3494.431 2472.495 1006.258 0.000 0.000 0.000 3/33600 20.0 3046.018 3219.269 2433.196 0.000 0.000 0.000 3/33600 30.0 1458.801 1576.271 1556.701 0.000 0.000 -0.000 3/33600 40.0 642.580 754.761 814.302 0.000 0.000 -0.000 3/33600 50.0 300.622 384.972 428.870 0.000 0.000 -0.000 3/33600 60.0 160.693 222.077 250.244 0.000 0.000 -0.000 3/33600 70.0 97.352 143.335 162.299 0.000 0.000 -0.000 3/33600 80.0 65.115 100.735 114.377 0.000 0.000 -0.000 3/33600 90.0 46.943 75.362 85.761 0.000 0.000 -0.000 3/33600 100.0 35.814 59.072 67.378 0.000 0.000 -0.000 3/33600 110.0 28.532 47.992 54.870 0.000 0.000 -0.000 3/33600 120.0 23.506 40.104 45.963 0.000 0.000 -0.000 3/33600 130.0 19.885 34.278 39.380 0.000 0.000 -0.000 3/33600 140.0 17.180 29.842 34.363 0.000 0.000 -0.000 3/33600 150.0 15.099 26.377 30.441 0.000 0.000 -0.000 3/33600 160.0 13.458 23.610 27.305 0.000 0.000 -0.000 3/33600 170.0 12.135 21.360 24.752 0.000 0.000 -0.000 3/33600 180.0 11.050 19.500 22.638 0.000 0.000 -0.000 3/33600 190.0 10.146 17.941 20.864 0.000 0.000 -0.000 3/33600 200.0 9.382 16.617 19.355 0.000 0.000 -0.000 3/33600 210.0 8.728 15.481 18.059 0.000 0.000 -0.000 3/33600 220.0 8.163 14.495 16.933 0.000 0.000 -0.000 3/33600 230.0 7.670 13.634 15.948 0.000 0.000 -0.000 3/33600 240.0 7.236 12.875 15.079 0.000 0.000 -0.000 3/33600 250.0 6.851 12.200 14.306 0.000 0.000 -0.000 3/33600 260.0 6.508 11.598 13.615 0.000 0.000 -0.000 3/33600 270.0 6.200 11.057 12.993 0.000 0.000 -0.000 3/33600 280.0 5.921 10.567 12.431 0.000 0.000 -0.000 3/33600 290.0 5.668 10.123 11.919 0.000 0.000 -0.000 3/33600 300.0 5.437 9.717 11.452 0.000 0.000 -0.000 3/33600 310.0 5.226 9.346 11.024 0.000 0.000 -0.000 3/33600 320.0 5.032 9.004 10.630 0.000 0.000 -0.000 3/33600 330.0 4.853 8.689 10.265 0.000 0.000 -0.000 3/33600 340.0 4.687 8.396 9.928 0.000 0.000 -0.000 3/33600 350.0 4.532 8.125 9.614 0.000 0.000 -0.000 3/33600 360.0 4.389 7.872 9.321 0.000 0.000 -0.000 3/33600 370.0 4.254 7.636 9.047 0.000 0.000 -0.000 3/33600 380.0 4.129 7.414 8.791 0.000 0.000 -0.000 3/33600 390.0 4.011 7.206 8.549 0.000 0.000 -0.000 3/33600 400.0 3.900 7.011 8.322 0.000 0.000 -0.000 3/33600 410.0 3.795 6.826 8.108 0.000 0.000 -0.000 3/33600 420.0 3.696 6.652 7.905 0.000 0.000 -0.000 3/33600 430.0 3.603 6.487 7.714 0.000 0.000 -0.000 3/33600 440.0 3.514 6.331 7.532 0.000 0.000 -0.000 3/33600 450.0 3.430 6.182 7.359 0.000 0.000 -0.000 3/33600 460.0 3.350 6.041 7.194 0.000 0.000 -0.000 3/33600 470.0 3.274 5.907 7.037 0.000 0.000 -0.000 3/33600 480.0 3.202 5.778 6.887 0.000 0.000 -0.000 3/33600 490.0 3.133 5.656 6.744 0.000 0.000 -0.000 3/33600 500.0 3.066 5.539 6.607 0.000 0.000 -0.000 3/33600 510.0 3.003 5.427 6.476 0.000 0.000 -0.000 3/33600 520.0 2.943 5.319 6.350 0.000 0.000 -0.000 3/33600 530.0 2.884 5.216 6.230 0.000 0.000 -0.000 3/33600 540.0 2.829 5.117 6.114 0.000 0.000 -0.000 3/33600 550.0 2.775 5.022 6.002 0.000 0.000 -0.000 3/33600 560.0 2.724 4.931 5.895 0.000 0.000 -0.000 3/33600 570.0 2.674 4.843 5.791 0.000 0.000 -0.000 3/33600 580.0 2.626 4.758 5.692 0.000 0.000 -0.000 3/33600 590.0 2.580 4.676 5.595 0.000 0.000 -0.000 3/33600 600.0 2.536 4.598 5.503 0.000 0.000 -0.000 3/33600 610.0 2.493 4.521 5.413 0.000 0.000 -0.000 3/33600 620.0 2.452 4.448 5.326 0.000 0.000 -0.000 3/33600 630.0 2.412 4.377 5.242 0.000 0.000 -0.000 3/33600 640.0 2.373 4.308 5.161 0.000 0.000 -0.000 3/33600 650.0 2.336 4.241 5.082 0.000 0.000 -0.000 3/33600 660.0 2.300 4.177 5.006 0.000 0.000 -0.000 3/33600 670.0 2.265 4.114 4.932 0.000 0.000 -0.000 3/33600 680.0 2.231 4.053 4.861 0.000 0.000 -0.000 3/33600 690.0 2.198 3.994 4.791 0.000 0.000 -0.000 3/33600 700.0 2.166 3.937 4.723 0.000 0.000 -0.000 3/33600 710.0 2.135 3.882 4.658 0.000 0.000 -0.000 3/33600 720.0 2.105 3.828 4.594 0.000 0.000 -0.000 3/33600 730.0 2.076 3.775 4.532 0.000 0.000 -0.000 3/33600 740.0 2.047 3.724 4.472 0.000 0.000 -0.000 3/33600 750.0 2.019 3.675 4.413 0.000 0.000 -0.000 3/33600 760.0 1.992 3.627 4.356 0.000 0.000 -0.000 3/33600 770.0 1.966 3.580 4.300 0.000 0.000 -0.000 3/33600 780.0 1.941 3.534 4.245 0.000 0.000 -0.000 3/33600 790.0 1.916 3.489 4.193 0.000 0.000 -0.000 3/33600 800.0 1.892 3.446 4.141 0.000 0.000 -0.000 3/33600 810.0 1.868 3.403 4.091 0.000 0.000 -0.000 3/33600 820.0 1.845 3.362 4.042 0.000 0.000 -0.000 3/33600 830.0 1.823 3.322 3.994 0.000 0.000 -0.000 3/33600 840.0 1.801 3.282 3.947 0.000 0.000 -0.000 3/33600 850.0 1.779 3.244 3.901 0.000 0.000 -0.000 3/33600 860.0 1.759 3.207 3.856 0.000 0.000 -0.000 3/33600 870.0 1.738 3.170 3.813 0.000 0.000 -0.000 3/33600 880.0 1.718 3.134 3.770 0.000 0.000 -0.000 3/33600 890.0 1.699 3.099 3.729 0.000 0.000 -0.000 3/33600 900.0 1.680 3.065 3.688 0.000 0.000 -0.000 3/33600 910.0 1.661 3.031 3.648 0.000 0.000 -0.000 3/33600 920.0 1.643 2.999 3.609 0.000 0.000 -0.000 3/33600 930.0 1.625 2.967 3.571 0.000 0.000 -0.000 3/33600 940.0 1.608 2.935 3.533 0.000 0.000 -0.000 3/33600 950.0 1.591 2.905 3.497 0.000 0.000 -0.000 3/33600 960.0 1.574 2.875 3.461 0.000 0.000 -0.000 3/33600 970.0 1.558 2.845 3.426 0.000 0.000 -0.000 3/33600 980.0 1.542 2.816 3.391 0.000 0.000 -0.000 3/33600 990.0 1.526 2.788 3.358 0.000 0.000 -0.000 3/33600 1000.0 1.511 2.760 3.325 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:26:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|