----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:01:33]------------------------- 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. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.034897769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.270275300000000 1.932199885000000 c 0.000000000000000 -3.270275300000000 1.932199885000000 Atomic positions (fractional): *1 Dy 0.59309156561560 0.65952029436624 0.32462399885338 162.500 2 Dy 0.90690843438440 0.65952029436624 0.32462399885338 162.500 3 Dy 0.09309156561560 0.32462399885338 0.65952029436624 162.500 4 Dy 0.40690843438440 0.32462399885338 0.65952029436624 162.500 *5 C 0.75000000000000 0.91330296746984 0.83994585127118 12.011 6 C 0.25000000000000 0.83994585127118 0.91330296746984 12.011 *7 O 0.05737701197670 0.66261760890684 0.32579366000923 15.999 *8 O 0.82650617024948 0.00665692535591 0.02042323182772 15.999 9 O 0.67349382975052 0.00665692535591 0.02042323182772 15.999 10 O 0.17349382975052 0.02042323182772 0.00665692535591 15.999 11 O 0.32650617024948 0.02042323182772 0.00665692535591 15.999 12 O 0.44262298802330 0.66261760890684 0.32579366000923 15.999 *13 O 0.75000000000000 0.71459617454994 0.45671776807037 15.999 14 O 0.55737701197670 0.32579366000923 0.66261760890684 15.999 15 O 0.94262298802330 0.32579366000923 0.66261760890684 15.999 16 O 0.25000000000000 0.45671776807036 0.71459617454994 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.034897769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.540550600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.864399770000000 Atomic positions (fractional): *1 Dy 0.59309156561560 0.66744814775643 0.99207214660981 162.500 > 1 2 Dy 0.90690843438440 0.66744814775643 0.99207214660981 162.500 > 2 3 Dy 0.09309156561560 0.33255185224357 0.99207214660981 162.500 > 3 4 Dy 0.40690843438440 0.33255185224357 0.99207214660981 162.500 > 4 5 Dy 0.59309156561560 0.16744814775643 0.49207214660981 162.500 > 1 6 Dy 0.90690843438440 0.16744814775643 0.49207214660981 162.500 > 2 7 Dy 0.09309156561560 0.83255185224357 0.49207214660981 162.500 > 3 8 Dy 0.40690843438440 0.83255185224357 0.49207214660981 162.500 > 4 *9 C 0.75000000000000 0.53667855809933 0.37662440937051 12.011 > 5 10 C 0.25000000000000 0.46332144190067 0.37662440937051 12.011 > 6 11 C 0.75000000000000 0.03667855809933 0.87662440937051 12.011 > 5 12 C 0.25000000000000 0.96332144190067 0.87662440937051 12.011 > 6 *13 O 0.05737701197670 0.66841197444881 0.99420563445804 15.999 > 7 *14 O 0.82650617024948 0.49311684676409 0.51354007859182 15.999 > 8 15 O 0.67349382975052 0.49311684676409 0.51354007859182 15.999 > 9 16 O 0.17349382975052 0.50688315323591 0.51354007859182 15.999 > 10 17 O 0.32650617024948 0.50688315323591 0.51354007859182 15.999 > 11 18 O 0.44262298802330 0.66841197444881 0.99420563445804 15.999 > 12 *19 O 0.75000000000000 0.62893920323979 0.08565697131015 15.999 > 13 20 O 0.55737701197670 0.33158802555119 0.99420563445804 15.999 > 14 21 O 0.94262298802330 0.33158802555119 0.99420563445804 15.999 > 15 22 O 0.25000000000000 0.37106079676021 0.08565697131015 15.999 > 16 23 O 0.05737701197670 0.16841197444881 0.49420563445804 15.999 > 7 24 O 0.82650617024948 0.99311684676409 0.01354007859182 15.999 > 8 25 O 0.67349382975052 0.99311684676409 0.01354007859182 15.999 > 9 26 O 0.17349382975052 0.00688315323591 0.01354007859182 15.999 > 10 27 O 0.32650617024948 0.00688315323591 0.01354007859182 15.999 > 11 28 O 0.44262298802330 0.16841197444881 0.49420563445804 15.999 > 12 29 O 0.75000000000000 0.12893920323979 0.58565697131015 15.999 > 13 30 O 0.55737701197670 0.83158802555119 0.49420563445804 15.999 > 14 31 O 0.94262298802330 0.83158802555119 0.49420563445804 15.999 > 15 32 O 0.25000000000000 0.87106079676021 0.58565697131015 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.034897769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.081101200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.728799540000000 Atomic positions (fractional): *1 Dy 0.59309156561560 0.33372407387822 0.49603607330490 162.500 > 1 2 Dy 0.59309156561560 0.83372407387822 0.49603607330490 162.500 > 1 3 Dy 0.59309156561560 0.33372407387822 0.99603607330490 162.500 > 1 4 Dy 0.59309156561560 0.83372407387822 0.99603607330490 162.500 > 1 5 Dy 0.90690843438440 0.33372407387822 0.49603607330490 162.500 > 2 6 Dy 0.90690843438440 0.83372407387822 0.49603607330490 162.500 > 2 7 Dy 0.90690843438440 0.33372407387822 0.99603607330490 162.500 > 2 8 Dy 0.90690843438440 0.83372407387822 0.99603607330490 162.500 > 2 9 Dy 0.09309156561560 0.16627592612178 0.49603607330490 162.500 > 3 10 Dy 0.09309156561560 0.66627592612178 0.49603607330490 162.500 > 3 11 Dy 0.09309156561560 0.16627592612178 0.99603607330490 162.500 > 3 12 Dy 0.09309156561560 0.66627592612178 0.99603607330490 162.500 > 3 13 Dy 0.40690843438440 0.16627592612178 0.49603607330490 162.500 > 4 14 Dy 0.40690843438440 0.66627592612178 0.49603607330490 162.500 > 4 15 Dy 0.40690843438440 0.16627592612178 0.99603607330490 162.500 > 4 16 Dy 0.40690843438440 0.66627592612178 0.99603607330490 162.500 > 4 17 Dy 0.59309156561560 0.08372407387822 0.24603607330490 162.500 > 1 18 Dy 0.59309156561560 0.58372407387822 0.24603607330490 162.500 > 1 19 Dy 0.59309156561560 0.08372407387822 0.74603607330490 162.500 > 1 20 Dy 0.59309156561560 0.58372407387822 0.74603607330490 162.500 > 1 21 Dy 0.90690843438440 0.08372407387822 0.24603607330490 162.500 > 2 22 Dy 0.90690843438440 0.58372407387822 0.24603607330490 162.500 > 2 23 Dy 0.90690843438440 0.08372407387822 0.74603607330490 162.500 > 2 24 Dy 0.90690843438440 0.58372407387822 0.74603607330490 162.500 > 2 25 Dy 0.09309156561560 0.41627592612178 0.24603607330490 162.500 > 3 26 Dy 0.09309156561560 0.91627592612178 0.24603607330490 162.500 > 3 27 Dy 0.09309156561560 0.41627592612178 0.74603607330490 162.500 > 3 28 Dy 0.09309156561560 0.91627592612178 0.74603607330490 162.500 > 3 29 Dy 0.40690843438440 0.41627592612178 0.24603607330490 162.500 > 4 30 Dy 0.40690843438440 0.91627592612178 0.24603607330490 162.500 > 4 31 Dy 0.40690843438440 0.41627592612178 0.74603607330490 162.500 > 4 32 Dy 0.40690843438440 0.91627592612178 0.74603607330490 162.500 > 4 *33 C 0.75000000000000 0.26833927904966 0.18831220468526 12.011 > 5 34 C 0.75000000000000 0.76833927904966 0.18831220468526 12.011 > 5 35 C 0.75000000000000 0.26833927904966 0.68831220468526 12.011 > 5 36 C 0.75000000000000 0.76833927904966 0.68831220468526 12.011 > 5 37 C 0.25000000000000 0.23166072095034 0.18831220468526 12.011 > 6 38 C 0.25000000000000 0.73166072095034 0.18831220468526 12.011 > 6 39 C 0.25000000000000 0.23166072095034 0.68831220468526 12.011 > 6 40 C 0.25000000000000 0.73166072095034 0.68831220468526 12.011 > 6 41 C 0.75000000000000 0.01833927904966 0.43831220468526 12.011 > 5 42 C 0.75000000000000 0.51833927904966 0.43831220468526 12.011 > 5 43 C 0.75000000000000 0.01833927904966 0.93831220468526 12.011 > 5 44 C 0.75000000000000 0.51833927904966 0.93831220468526 12.011 > 5 45 C 0.25000000000000 0.48166072095034 0.43831220468526 12.011 > 6 46 C 0.25000000000000 0.98166072095034 0.43831220468526 12.011 > 6 47 C 0.25000000000000 0.48166072095034 0.93831220468526 12.011 > 6 48 C 0.25000000000000 0.98166072095034 0.93831220468526 12.011 > 6 *49 O 0.05737701197670 0.33420598722440 0.49710281722902 15.999 > 7 50 O 0.05737701197670 0.83420598722440 0.49710281722902 15.999 > 7 51 O 0.05737701197670 0.33420598722440 0.99710281722902 15.999 > 7 52 O 0.05737701197670 0.83420598722440 0.99710281722902 15.999 > 7 *53 O 0.82650617024948 0.24655842338205 0.25677003929591 15.999 > 8 54 O 0.82650617024948 0.74655842338205 0.25677003929591 15.999 > 8 55 O 0.82650617024948 0.24655842338205 0.75677003929591 15.999 > 8 56 O 0.82650617024948 0.74655842338205 0.75677003929591 15.999 > 8 57 O 0.67349382975052 0.24655842338205 0.25677003929591 15.999 > 9 58 O 0.67349382975052 0.74655842338205 0.25677003929591 15.999 > 9 59 O 0.67349382975052 0.24655842338205 0.75677003929591 15.999 > 9 60 O 0.67349382975052 0.74655842338205 0.75677003929591 15.999 > 9 61 O 0.17349382975052 0.25344157661795 0.25677003929591 15.999 > 10 62 O 0.17349382975052 0.75344157661795 0.25677003929591 15.999 > 10 63 O 0.17349382975052 0.25344157661795 0.75677003929591 15.999 > 10 64 O 0.17349382975052 0.75344157661795 0.75677003929591 15.999 > 10 65 O 0.32650617024948 0.25344157661795 0.25677003929591 15.999 > 11 66 O 0.32650617024948 0.75344157661795 0.25677003929591 15.999 > 11 67 O 0.32650617024948 0.25344157661795 0.75677003929591 15.999 > 11 68 O 0.32650617024948 0.75344157661795 0.75677003929591 15.999 > 11 69 O 0.44262298802330 0.33420598722440 0.49710281722902 15.999 > 12 70 O 0.44262298802330 0.83420598722440 0.49710281722902 15.999 > 12 71 O 0.44262298802330 0.33420598722440 0.99710281722902 15.999 > 12 72 O 0.44262298802330 0.83420598722440 0.99710281722902 15.999 > 12 *73 O 0.75000000000000 0.31446960161989 0.04282848565508 15.999 > 13 74 O 0.75000000000000 0.81446960161989 0.04282848565508 15.999 > 13 75 O 0.75000000000000 0.31446960161989 0.54282848565508 15.999 > 13 76 O 0.75000000000000 0.81446960161989 0.54282848565508 15.999 > 13 77 O 0.55737701197670 0.16579401277560 0.49710281722902 15.999 > 14 78 O 0.55737701197670 0.66579401277560 0.49710281722902 15.999 > 14 79 O 0.55737701197670 0.16579401277560 0.99710281722902 15.999 > 14 80 O 0.55737701197670 0.66579401277560 0.99710281722902 15.999 > 14 81 O 0.94262298802330 0.16579401277560 0.49710281722902 15.999 > 15 82 O 0.94262298802330 0.66579401277560 0.49710281722902 15.999 > 15 83 O 0.94262298802330 0.16579401277560 0.99710281722902 15.999 > 15 84 O 0.94262298802330 0.66579401277560 0.99710281722902 15.999 > 15 85 O 0.25000000000000 0.18553039838011 0.04282848565508 15.999 > 16 86 O 0.25000000000000 0.68553039838011 0.04282848565508 15.999 > 16 87 O 0.25000000000000 0.18553039838011 0.54282848565508 15.999 > 16 88 O 0.25000000000000 0.68553039838011 0.54282848565508 15.999 > 16 89 O 0.05737701197670 0.08420598722440 0.24710281722902 15.999 > 7 90 O 0.05737701197670 0.58420598722440 0.24710281722902 15.999 > 7 91 O 0.05737701197670 0.08420598722440 0.74710281722902 15.999 > 7 92 O 0.05737701197670 0.58420598722440 0.74710281722902 15.999 > 7 93 O 0.82650617024948 0.49655842338205 0.00677003929591 15.999 > 8 94 O 0.82650617024948 0.99655842338205 0.00677003929591 15.999 > 8 95 O 0.82650617024948 0.49655842338205 0.50677003929591 15.999 > 8 96 O 0.82650617024948 0.99655842338205 0.50677003929591 15.999 > 8 97 O 0.67349382975052 0.49655842338205 0.00677003929591 15.999 > 9 98 O 0.67349382975052 0.99655842338205 0.00677003929591 15.999 > 9 99 O 0.67349382975052 0.49655842338205 0.50677003929591 15.999 > 9 100 O 0.67349382975052 0.99655842338205 0.50677003929591 15.999 > 9 101 O 0.17349382975052 0.00344157661795 0.00677003929591 15.999 > 10 102 O 0.17349382975052 0.50344157661795 0.00677003929591 15.999 > 10 103 O 0.17349382975052 0.00344157661795 0.50677003929591 15.999 > 10 104 O 0.17349382975052 0.50344157661795 0.50677003929591 15.999 > 10 105 O 0.32650617024948 0.00344157661795 0.00677003929591 15.999 > 11 106 O 0.32650617024948 0.50344157661795 0.00677003929591 15.999 > 11 107 O 0.32650617024948 0.00344157661795 0.50677003929591 15.999 > 11 108 O 0.32650617024948 0.50344157661795 0.50677003929591 15.999 > 11 109 O 0.44262298802330 0.08420598722440 0.24710281722902 15.999 > 12 110 O 0.44262298802330 0.58420598722440 0.24710281722902 15.999 > 12 111 O 0.44262298802330 0.08420598722440 0.74710281722902 15.999 > 12 112 O 0.44262298802330 0.58420598722440 0.74710281722902 15.999 > 12 113 O 0.75000000000000 0.06446960161989 0.29282848565508 15.999 > 13 114 O 0.75000000000000 0.56446960161989 0.29282848565508 15.999 > 13 115 O 0.75000000000000 0.06446960161989 0.79282848565508 15.999 > 13 116 O 0.75000000000000 0.56446960161989 0.79282848565508 15.999 > 13 117 O 0.55737701197670 0.41579401277560 0.24710281722902 15.999 > 14 118 O 0.55737701197670 0.91579401277560 0.24710281722902 15.999 > 14 119 O 0.55737701197670 0.41579401277560 0.74710281722902 15.999 > 14 120 O 0.55737701197670 0.91579401277560 0.74710281722902 15.999 > 14 121 O 0.94262298802330 0.41579401277560 0.24710281722902 15.999 > 15 122 O 0.94262298802330 0.91579401277560 0.24710281722902 15.999 > 15 123 O 0.94262298802330 0.41579401277560 0.74710281722902 15.999 > 15 124 O 0.94262298802330 0.91579401277560 0.74710281722902 15.999 > 15 125 O 0.25000000000000 0.43553039838011 0.29282848565508 15.999 > 16 126 O 0.25000000000000 0.93553039838011 0.29282848565508 15.999 > 16 127 O 0.25000000000000 0.43553039838011 0.79282848565508 15.999 > 16 128 O 0.25000000000000 0.93553039838011 0.79282848565508 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9634129 0.0000000 0.0000000 0.0000000 3.5812177 0.0000000 0.0000000 0.0000000 3.7929160 -------------------------- Born effective charges -------------------------- 1 Dy 3.9711016 0.0178825 0.0302782 -0.0703650 3.7597776 -0.0049308 0.1656659 -0.0106344 3.7547436 2 Dy 3.9711016 -0.0178825 -0.0302782 0.0703650 3.7597776 -0.0049308 -0.1656659 -0.0106344 3.7547436 3 Dy 3.9711016 -0.0178825 0.0302782 0.0703650 3.7597776 0.0049308 0.1656659 0.0106344 3.7547436 4 Dy 3.9711016 0.0178825 -0.0302782 -0.0703650 3.7597776 0.0049308 -0.1656659 0.0106344 3.7547436 5 C 3.8914667 -0.0000000 -0.0000000 -0.0000000 0.7941998 -1.2416379 -0.0000000 -1.2115045 2.3652833 6 C 3.8914667 -0.0000000 -0.0000000 -0.0000000 0.7941998 1.2416379 -0.0000000 1.2115045 2.3652833 7 O -2.2372601 -0.0058874 -0.0440484 -0.0053631 -2.4297449 -0.0174209 0.0340556 -0.0171547 -2.4550079 8 O -2.6723566 0.3564394 -0.6088224 0.3282901 -1.2687660 0.2545476 -0.5835874 0.2571821 -1.5740349 9 O -2.6723566 -0.3564394 0.6088224 -0.3282901 -1.2687660 0.2545476 0.5835874 0.2571821 -1.5740349 10 O -2.6723566 0.3564394 0.6088224 0.3282901 -1.2687660 -0.2545476 0.5835874 -0.2571821 -1.5740349 11 O -2.6723566 -0.3564394 -0.6088224 -0.3282901 -1.2687660 -0.2545476 -0.5835874 -0.2571821 -1.5740349 12 O -2.2372601 0.0058874 0.0440484 0.0053631 -2.4297449 -0.0174209 -0.0340556 -0.0171547 -2.4550079 13 O -2.0144366 -0.0000000 -0.0000000 -0.0000000 -0.9167332 0.7131100 -0.0000000 0.6905061 -1.8166848 14 O -2.2372601 0.0058874 -0.0440484 0.0053631 -2.4297449 0.0174209 0.0340556 0.0171547 -2.4550079 15 O -2.2372601 -0.0058874 0.0440484 -0.0053631 -2.4297449 0.0174209 -0.0340556 0.0171547 -2.4550079 16 O -2.0144366 -0.0000000 -0.0000000 -0.0000000 -0.9167332 -0.7131100 -0.0000000 -0.6905061 -1.8166848 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2416 Number of blocks in projector: 2416 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2416, 2379), data: False |-- (304, 299), data: True |-- (304, 299), data: True |-- (304, 299), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.839 Solver_block: 200 / 480 - Time: 0.779 Solver_block: 300 / 480 - Time: 0.773 Solver_block: 400 / 480 - Time: 0.800 Solver_block: 480 / 480 - Time: 0.665 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.951 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2416 Number of blocks in projector: 2416 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2416, 2379), data: False |-- (304, 299), data: True |-- (304, 299), data: True |-- (304, 299), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:02:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:02:02]------------------------- 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. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.034897769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.270275300000000 1.932199885000000 c 0.000000000000000 -3.270275300000000 1.932199885000000 Atomic positions (fractional): 1 Dy 0.59309156561560 0.65952029436624 0.32462399885338 162.500 2 Dy 0.90690843438440 0.65952029436624 0.32462399885338 162.500 3 Dy 0.09309156561560 0.32462399885338 0.65952029436624 162.500 4 Dy 0.40690843438440 0.32462399885338 0.65952029436624 162.500 5 C 0.75000000000000 0.91330296746984 0.83994585127118 12.011 6 C 0.25000000000000 0.83994585127118 0.91330296746984 12.011 7 O 0.05737701197670 0.66261760890684 0.32579366000923 15.999 8 O 0.82650617024948 0.00665692535591 0.02042323182772 15.999 9 O 0.67349382975052 0.00665692535591 0.02042323182772 15.999 10 O 0.17349382975052 0.02042323182772 0.00665692535591 15.999 11 O 0.32650617024948 0.02042323182772 0.00665692535591 15.999 12 O 0.44262298802330 0.66261760890684 0.32579366000923 15.999 13 O 0.75000000000000 0.71459617454994 0.45671776807037 15.999 14 O 0.55737701197670 0.32579366000923 0.66261760890684 15.999 15 O 0.94262298802330 0.32579366000923 0.66261760890684 15.999 16 O 0.25000000000000 0.45671776807036 0.71459617454994 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.034897769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.081101200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.728799540000000 Atomic positions (fractional): 1 Dy 0.59309156561560 0.33372407387822 0.49603607330490 162.500 > 1 2 Dy 0.59309156561560 0.83372407387822 0.49603607330490 162.500 > 1 3 Dy 0.59309156561560 0.33372407387822 0.99603607330490 162.500 > 1 4 Dy 0.59309156561560 0.83372407387822 0.99603607330490 162.500 > 1 5 Dy 0.90690843438440 0.33372407387822 0.49603607330490 162.500 > 5 6 Dy 0.90690843438440 0.83372407387822 0.49603607330490 162.500 > 5 7 Dy 0.90690843438440 0.33372407387822 0.99603607330490 162.500 > 5 8 Dy 0.90690843438440 0.83372407387822 0.99603607330490 162.500 > 5 9 Dy 0.09309156561560 0.16627592612178 0.49603607330490 162.500 > 9 10 Dy 0.09309156561560 0.66627592612178 0.49603607330490 162.500 > 9 11 Dy 0.09309156561560 0.16627592612178 0.99603607330490 162.500 > 9 12 Dy 0.09309156561560 0.66627592612178 0.99603607330490 162.500 > 9 13 Dy 0.40690843438440 0.16627592612178 0.49603607330490 162.500 > 13 14 Dy 0.40690843438440 0.66627592612178 0.49603607330490 162.500 > 13 15 Dy 0.40690843438440 0.16627592612178 0.99603607330490 162.500 > 13 16 Dy 0.40690843438440 0.66627592612178 0.99603607330490 162.500 > 13 17 Dy 0.59309156561560 0.08372407387822 0.24603607330490 162.500 > 1 18 Dy 0.59309156561560 0.58372407387822 0.24603607330490 162.500 > 1 19 Dy 0.59309156561560 0.08372407387822 0.74603607330490 162.500 > 1 20 Dy 0.59309156561560 0.58372407387822 0.74603607330490 162.500 > 1 21 Dy 0.90690843438440 0.08372407387822 0.24603607330490 162.500 > 5 22 Dy 0.90690843438440 0.58372407387822 0.24603607330490 162.500 > 5 23 Dy 0.90690843438440 0.08372407387822 0.74603607330490 162.500 > 5 24 Dy 0.90690843438440 0.58372407387822 0.74603607330490 162.500 > 5 25 Dy 0.09309156561560 0.41627592612178 0.24603607330490 162.500 > 9 26 Dy 0.09309156561560 0.91627592612178 0.24603607330490 162.500 > 9 27 Dy 0.09309156561560 0.41627592612178 0.74603607330490 162.500 > 9 28 Dy 0.09309156561560 0.91627592612178 0.74603607330490 162.500 > 9 29 Dy 0.40690843438440 0.41627592612178 0.24603607330490 162.500 > 13 30 Dy 0.40690843438440 0.91627592612178 0.24603607330490 162.500 > 13 31 Dy 0.40690843438440 0.41627592612178 0.74603607330490 162.500 > 13 32 Dy 0.40690843438440 0.91627592612178 0.74603607330490 162.500 > 13 33 C 0.75000000000000 0.26833927904966 0.18831220468526 12.011 > 33 34 C 0.75000000000000 0.76833927904966 0.18831220468526 12.011 > 33 35 C 0.75000000000000 0.26833927904966 0.68831220468526 12.011 > 33 36 C 0.75000000000000 0.76833927904966 0.68831220468526 12.011 > 33 37 C 0.25000000000000 0.23166072095034 0.18831220468526 12.011 > 37 38 C 0.25000000000000 0.73166072095034 0.18831220468526 12.011 > 37 39 C 0.25000000000000 0.23166072095034 0.68831220468526 12.011 > 37 40 C 0.25000000000000 0.73166072095034 0.68831220468526 12.011 > 37 41 C 0.75000000000000 0.01833927904966 0.43831220468526 12.011 > 33 42 C 0.75000000000000 0.51833927904966 0.43831220468526 12.011 > 33 43 C 0.75000000000000 0.01833927904966 0.93831220468526 12.011 > 33 44 C 0.75000000000000 0.51833927904966 0.93831220468526 12.011 > 33 45 C 0.25000000000000 0.48166072095034 0.43831220468526 12.011 > 37 46 C 0.25000000000000 0.98166072095034 0.43831220468526 12.011 > 37 47 C 0.25000000000000 0.48166072095034 0.93831220468526 12.011 > 37 48 C 0.25000000000000 0.98166072095034 0.93831220468526 12.011 > 37 49 O 0.05737701197670 0.33420598722440 0.49710281722902 15.999 > 49 50 O 0.05737701197670 0.83420598722440 0.49710281722902 15.999 > 49 51 O 0.05737701197670 0.33420598722440 0.99710281722902 15.999 > 49 52 O 0.05737701197670 0.83420598722440 0.99710281722902 15.999 > 49 53 O 0.82650617024948 0.24655842338205 0.25677003929591 15.999 > 53 54 O 0.82650617024948 0.74655842338205 0.25677003929591 15.999 > 53 55 O 0.82650617024948 0.24655842338205 0.75677003929591 15.999 > 53 56 O 0.82650617024948 0.74655842338205 0.75677003929591 15.999 > 53 57 O 0.67349382975052 0.24655842338205 0.25677003929591 15.999 > 57 58 O 0.67349382975052 0.74655842338205 0.25677003929591 15.999 > 57 59 O 0.67349382975052 0.24655842338205 0.75677003929591 15.999 > 57 60 O 0.67349382975052 0.74655842338205 0.75677003929591 15.999 > 57 61 O 0.17349382975052 0.25344157661795 0.25677003929591 15.999 > 61 62 O 0.17349382975052 0.75344157661795 0.25677003929591 15.999 > 61 63 O 0.17349382975052 0.25344157661795 0.75677003929591 15.999 > 61 64 O 0.17349382975052 0.75344157661795 0.75677003929591 15.999 > 61 65 O 0.32650617024948 0.25344157661795 0.25677003929591 15.999 > 65 66 O 0.32650617024948 0.75344157661795 0.25677003929591 15.999 > 65 67 O 0.32650617024948 0.25344157661795 0.75677003929591 15.999 > 65 68 O 0.32650617024948 0.75344157661795 0.75677003929591 15.999 > 65 69 O 0.44262298802330 0.33420598722440 0.49710281722902 15.999 > 69 70 O 0.44262298802330 0.83420598722440 0.49710281722902 15.999 > 69 71 O 0.44262298802330 0.33420598722440 0.99710281722902 15.999 > 69 72 O 0.44262298802330 0.83420598722440 0.99710281722902 15.999 > 69 73 O 0.75000000000000 0.31446960161989 0.04282848565508 15.999 > 73 74 O 0.75000000000000 0.81446960161989 0.04282848565508 15.999 > 73 75 O 0.75000000000000 0.31446960161989 0.54282848565508 15.999 > 73 76 O 0.75000000000000 0.81446960161989 0.54282848565508 15.999 > 73 77 O 0.55737701197670 0.16579401277560 0.49710281722902 15.999 > 77 78 O 0.55737701197670 0.66579401277560 0.49710281722902 15.999 > 77 79 O 0.55737701197670 0.16579401277560 0.99710281722902 15.999 > 77 80 O 0.55737701197670 0.66579401277560 0.99710281722902 15.999 > 77 81 O 0.94262298802330 0.16579401277560 0.49710281722902 15.999 > 81 82 O 0.94262298802330 0.66579401277560 0.49710281722902 15.999 > 81 83 O 0.94262298802330 0.16579401277560 0.99710281722902 15.999 > 81 84 O 0.94262298802330 0.66579401277560 0.99710281722902 15.999 > 81 85 O 0.25000000000000 0.18553039838011 0.04282848565508 15.999 > 85 86 O 0.25000000000000 0.68553039838011 0.04282848565508 15.999 > 85 87 O 0.25000000000000 0.18553039838011 0.54282848565508 15.999 > 85 88 O 0.25000000000000 0.68553039838011 0.54282848565508 15.999 > 85 89 O 0.05737701197670 0.08420598722440 0.24710281722902 15.999 > 49 90 O 0.05737701197670 0.58420598722440 0.24710281722902 15.999 > 49 91 O 0.05737701197670 0.08420598722440 0.74710281722902 15.999 > 49 92 O 0.05737701197670 0.58420598722440 0.74710281722902 15.999 > 49 93 O 0.82650617024948 0.49655842338205 0.00677003929591 15.999 > 53 94 O 0.82650617024948 0.99655842338205 0.00677003929591 15.999 > 53 95 O 0.82650617024948 0.49655842338205 0.50677003929591 15.999 > 53 96 O 0.82650617024948 0.99655842338205 0.50677003929591 15.999 > 53 97 O 0.67349382975052 0.49655842338205 0.00677003929591 15.999 > 57 98 O 0.67349382975052 0.99655842338205 0.00677003929591 15.999 > 57 99 O 0.67349382975052 0.49655842338205 0.50677003929591 15.999 > 57 100 O 0.67349382975052 0.99655842338205 0.50677003929591 15.999 > 57 101 O 0.17349382975052 0.00344157661795 0.00677003929591 15.999 > 61 102 O 0.17349382975052 0.50344157661795 0.00677003929591 15.999 > 61 103 O 0.17349382975052 0.00344157661795 0.50677003929591 15.999 > 61 104 O 0.17349382975052 0.50344157661795 0.50677003929591 15.999 > 61 105 O 0.32650617024948 0.00344157661795 0.00677003929591 15.999 > 65 106 O 0.32650617024948 0.50344157661795 0.00677003929591 15.999 > 65 107 O 0.32650617024948 0.00344157661795 0.50677003929591 15.999 > 65 108 O 0.32650617024948 0.50344157661795 0.50677003929591 15.999 > 65 109 O 0.44262298802330 0.08420598722440 0.24710281722902 15.999 > 69 110 O 0.44262298802330 0.58420598722440 0.24710281722902 15.999 > 69 111 O 0.44262298802330 0.08420598722440 0.74710281722902 15.999 > 69 112 O 0.44262298802330 0.58420598722440 0.74710281722902 15.999 > 69 113 O 0.75000000000000 0.06446960161989 0.29282848565508 15.999 > 73 114 O 0.75000000000000 0.56446960161989 0.29282848565508 15.999 > 73 115 O 0.75000000000000 0.06446960161989 0.79282848565508 15.999 > 73 116 O 0.75000000000000 0.56446960161989 0.79282848565508 15.999 > 73 117 O 0.55737701197670 0.41579401277560 0.24710281722902 15.999 > 77 118 O 0.55737701197670 0.91579401277560 0.24710281722902 15.999 > 77 119 O 0.55737701197670 0.41579401277560 0.74710281722902 15.999 > 77 120 O 0.55737701197670 0.91579401277560 0.74710281722902 15.999 > 77 121 O 0.94262298802330 0.41579401277560 0.24710281722902 15.999 > 81 122 O 0.94262298802330 0.91579401277560 0.24710281722902 15.999 > 81 123 O 0.94262298802330 0.41579401277560 0.74710281722902 15.999 > 81 124 O 0.94262298802330 0.91579401277560 0.74710281722902 15.999 > 81 125 O 0.25000000000000 0.43553039838011 0.29282848565508 15.999 > 85 126 O 0.25000000000000 0.93553039838011 0.29282848565508 15.999 > 85 127 O 0.25000000000000 0.43553039838011 0.79282848565508 15.999 > 85 128 O 0.25000000000000 0.93553039838011 0.79282848565508 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9634129 0.0000000 0.0000000 0.0000000 3.5812177 0.0000000 0.0000000 0.0000000 3.7929160 -------------------------- Born effective charges -------------------------- 1 Dy 3.9711016 0.0178825 0.0302782 -0.0703650 3.7597776 -0.0049308 0.1656659 -0.0106344 3.7547436 2 Dy 3.9711016 -0.0178825 -0.0302782 0.0703650 3.7597776 -0.0049308 -0.1656659 -0.0106344 3.7547436 3 Dy 3.9711016 -0.0178825 0.0302782 0.0703650 3.7597776 0.0049308 0.1656659 0.0106344 3.7547436 4 Dy 3.9711016 0.0178825 -0.0302782 -0.0703650 3.7597776 0.0049308 -0.1656659 0.0106344 3.7547436 5 C 3.8914667 -0.0000000 -0.0000000 -0.0000000 0.7941998 -1.2416379 -0.0000000 -1.2115045 2.3652833 6 C 3.8914667 -0.0000000 -0.0000000 -0.0000000 0.7941998 1.2416379 -0.0000000 1.2115045 2.3652833 7 O -2.2372601 -0.0058874 -0.0440484 -0.0053631 -2.4297449 -0.0174209 0.0340556 -0.0171547 -2.4550079 8 O -2.6723566 0.3564394 -0.6088224 0.3282901 -1.2687660 0.2545476 -0.5835874 0.2571821 -1.5740349 9 O -2.6723566 -0.3564394 0.6088224 -0.3282901 -1.2687660 0.2545476 0.5835874 0.2571821 -1.5740349 10 O -2.6723566 0.3564394 0.6088224 0.3282901 -1.2687660 -0.2545476 0.5835874 -0.2571821 -1.5740349 11 O -2.6723566 -0.3564394 -0.6088224 -0.3282901 -1.2687660 -0.2545476 -0.5835874 -0.2571821 -1.5740349 12 O -2.2372601 0.0058874 0.0440484 0.0053631 -2.4297449 -0.0174209 -0.0340556 -0.0171547 -2.4550079 13 O -2.0144366 -0.0000000 -0.0000000 -0.0000000 -0.9167332 0.7131100 -0.0000000 0.6905061 -1.8166848 14 O -2.2372601 0.0058874 -0.0440484 0.0053631 -2.4297449 0.0174209 0.0340556 0.0171547 -2.4550079 15 O -2.2372601 -0.0058874 0.0440484 -0.0053631 -2.4297449 0.0174209 -0.0340556 0.0171547 -2.4550079 16 O -2.0144366 -0.0000000 -0.0000000 -0.0000000 -0.9167332 -0.7131100 -0.0000000 -0.6905061 -1.8166848 ---------------------------------------------------------------------------- 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[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (yyy) -0.00000007 (yyy) -0.00000007 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:02:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:02:27]------------------------- 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: 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. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 15.034897769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.270275300000000 1.932199885000000 c 0.000000000000000 -3.270275300000000 1.932199885000000 Atomic positions (fractional): 1 Dy 0.59309156561560 0.65952029436624 0.32462399885338 162.500 2 Dy 0.90690843438440 0.65952029436624 0.32462399885338 162.500 3 Dy 0.09309156561560 0.32462399885338 0.65952029436624 162.500 4 Dy 0.40690843438440 0.32462399885338 0.65952029436624 162.500 5 C 0.75000000000000 0.91330296746984 0.83994585127118 12.011 6 C 0.25000000000000 0.83994585127118 0.91330296746984 12.011 7 O 0.05737701197670 0.66261760890684 0.32579366000923 15.999 8 O 0.82650617024948 0.00665692535591 0.02042323182772 15.999 9 O 0.67349382975052 0.00665692535591 0.02042323182772 15.999 10 O 0.17349382975052 0.02042323182772 0.00665692535591 15.999 11 O 0.32650617024948 0.02042323182772 0.00665692535591 15.999 12 O 0.44262298802330 0.66261760890684 0.32579366000923 15.999 13 O 0.75000000000000 0.71459617454994 0.45671776807037 15.999 14 O 0.55737701197670 0.32579366000923 0.66261760890684 15.999 15 O 0.94262298802330 0.32579366000923 0.66261760890684 15.999 16 O 0.25000000000000 0.45671776807036 0.71459617454994 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.034897769999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.081101200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.728799540000000 Atomic positions (fractional): 1 Dy 0.59309156561560 0.33372407387822 0.49603607330490 162.500 > 1 2 Dy 0.59309156561560 0.83372407387822 0.49603607330490 162.500 > 1 3 Dy 0.59309156561560 0.33372407387822 0.99603607330490 162.500 > 1 4 Dy 0.59309156561560 0.83372407387822 0.99603607330490 162.500 > 1 5 Dy 0.90690843438440 0.33372407387822 0.49603607330490 162.500 > 5 6 Dy 0.90690843438440 0.83372407387822 0.49603607330490 162.500 > 5 7 Dy 0.90690843438440 0.33372407387822 0.99603607330490 162.500 > 5 8 Dy 0.90690843438440 0.83372407387822 0.99603607330490 162.500 > 5 9 Dy 0.09309156561560 0.16627592612178 0.49603607330490 162.500 > 9 10 Dy 0.09309156561560 0.66627592612178 0.49603607330490 162.500 > 9 11 Dy 0.09309156561560 0.16627592612178 0.99603607330490 162.500 > 9 12 Dy 0.09309156561560 0.66627592612178 0.99603607330490 162.500 > 9 13 Dy 0.40690843438440 0.16627592612178 0.49603607330490 162.500 > 13 14 Dy 0.40690843438440 0.66627592612178 0.49603607330490 162.500 > 13 15 Dy 0.40690843438440 0.16627592612178 0.99603607330490 162.500 > 13 16 Dy 0.40690843438440 0.66627592612178 0.99603607330490 162.500 > 13 17 Dy 0.59309156561560 0.08372407387822 0.24603607330490 162.500 > 1 18 Dy 0.59309156561560 0.58372407387822 0.24603607330490 162.500 > 1 19 Dy 0.59309156561560 0.08372407387822 0.74603607330490 162.500 > 1 20 Dy 0.59309156561560 0.58372407387822 0.74603607330490 162.500 > 1 21 Dy 0.90690843438440 0.08372407387822 0.24603607330490 162.500 > 5 22 Dy 0.90690843438440 0.58372407387822 0.24603607330490 162.500 > 5 23 Dy 0.90690843438440 0.08372407387822 0.74603607330490 162.500 > 5 24 Dy 0.90690843438440 0.58372407387822 0.74603607330490 162.500 > 5 25 Dy 0.09309156561560 0.41627592612178 0.24603607330490 162.500 > 9 26 Dy 0.09309156561560 0.91627592612178 0.24603607330490 162.500 > 9 27 Dy 0.09309156561560 0.41627592612178 0.74603607330490 162.500 > 9 28 Dy 0.09309156561560 0.91627592612178 0.74603607330490 162.500 > 9 29 Dy 0.40690843438440 0.41627592612178 0.24603607330490 162.500 > 13 30 Dy 0.40690843438440 0.91627592612178 0.24603607330490 162.500 > 13 31 Dy 0.40690843438440 0.41627592612178 0.74603607330490 162.500 > 13 32 Dy 0.40690843438440 0.91627592612178 0.74603607330490 162.500 > 13 33 C 0.75000000000000 0.26833927904966 0.18831220468526 12.011 > 33 34 C 0.75000000000000 0.76833927904966 0.18831220468526 12.011 > 33 35 C 0.75000000000000 0.26833927904966 0.68831220468526 12.011 > 33 36 C 0.75000000000000 0.76833927904966 0.68831220468526 12.011 > 33 37 C 0.25000000000000 0.23166072095034 0.18831220468526 12.011 > 37 38 C 0.25000000000000 0.73166072095034 0.18831220468526 12.011 > 37 39 C 0.25000000000000 0.23166072095034 0.68831220468526 12.011 > 37 40 C 0.25000000000000 0.73166072095034 0.68831220468526 12.011 > 37 41 C 0.75000000000000 0.01833927904966 0.43831220468526 12.011 > 33 42 C 0.75000000000000 0.51833927904966 0.43831220468526 12.011 > 33 43 C 0.75000000000000 0.01833927904966 0.93831220468526 12.011 > 33 44 C 0.75000000000000 0.51833927904966 0.93831220468526 12.011 > 33 45 C 0.25000000000000 0.48166072095034 0.43831220468526 12.011 > 37 46 C 0.25000000000000 0.98166072095034 0.43831220468526 12.011 > 37 47 C 0.25000000000000 0.48166072095034 0.93831220468526 12.011 > 37 48 C 0.25000000000000 0.98166072095034 0.93831220468526 12.011 > 37 49 O 0.05737701197670 0.33420598722440 0.49710281722902 15.999 > 49 50 O 0.05737701197670 0.83420598722440 0.49710281722902 15.999 > 49 51 O 0.05737701197670 0.33420598722440 0.99710281722902 15.999 > 49 52 O 0.05737701197670 0.83420598722440 0.99710281722902 15.999 > 49 53 O 0.82650617024948 0.24655842338205 0.25677003929591 15.999 > 53 54 O 0.82650617024948 0.74655842338205 0.25677003929591 15.999 > 53 55 O 0.82650617024948 0.24655842338205 0.75677003929591 15.999 > 53 56 O 0.82650617024948 0.74655842338205 0.75677003929591 15.999 > 53 57 O 0.67349382975052 0.24655842338205 0.25677003929591 15.999 > 57 58 O 0.67349382975052 0.74655842338205 0.25677003929591 15.999 > 57 59 O 0.67349382975052 0.24655842338205 0.75677003929591 15.999 > 57 60 O 0.67349382975052 0.74655842338205 0.75677003929591 15.999 > 57 61 O 0.17349382975052 0.25344157661795 0.25677003929591 15.999 > 61 62 O 0.17349382975052 0.75344157661795 0.25677003929591 15.999 > 61 63 O 0.17349382975052 0.25344157661795 0.75677003929591 15.999 > 61 64 O 0.17349382975052 0.75344157661795 0.75677003929591 15.999 > 61 65 O 0.32650617024948 0.25344157661795 0.25677003929591 15.999 > 65 66 O 0.32650617024948 0.75344157661795 0.25677003929591 15.999 > 65 67 O 0.32650617024948 0.25344157661795 0.75677003929591 15.999 > 65 68 O 0.32650617024948 0.75344157661795 0.75677003929591 15.999 > 65 69 O 0.44262298802330 0.33420598722440 0.49710281722902 15.999 > 69 70 O 0.44262298802330 0.83420598722440 0.49710281722902 15.999 > 69 71 O 0.44262298802330 0.33420598722440 0.99710281722902 15.999 > 69 72 O 0.44262298802330 0.83420598722440 0.99710281722902 15.999 > 69 73 O 0.75000000000000 0.31446960161989 0.04282848565508 15.999 > 73 74 O 0.75000000000000 0.81446960161989 0.04282848565508 15.999 > 73 75 O 0.75000000000000 0.31446960161989 0.54282848565508 15.999 > 73 76 O 0.75000000000000 0.81446960161989 0.54282848565508 15.999 > 73 77 O 0.55737701197670 0.16579401277560 0.49710281722902 15.999 > 77 78 O 0.55737701197670 0.66579401277560 0.49710281722902 15.999 > 77 79 O 0.55737701197670 0.16579401277560 0.99710281722902 15.999 > 77 80 O 0.55737701197670 0.66579401277560 0.99710281722902 15.999 > 77 81 O 0.94262298802330 0.16579401277560 0.49710281722902 15.999 > 81 82 O 0.94262298802330 0.66579401277560 0.49710281722902 15.999 > 81 83 O 0.94262298802330 0.16579401277560 0.99710281722902 15.999 > 81 84 O 0.94262298802330 0.66579401277560 0.99710281722902 15.999 > 81 85 O 0.25000000000000 0.18553039838011 0.04282848565508 15.999 > 85 86 O 0.25000000000000 0.68553039838011 0.04282848565508 15.999 > 85 87 O 0.25000000000000 0.18553039838011 0.54282848565508 15.999 > 85 88 O 0.25000000000000 0.68553039838011 0.54282848565508 15.999 > 85 89 O 0.05737701197670 0.08420598722440 0.24710281722902 15.999 > 49 90 O 0.05737701197670 0.58420598722440 0.24710281722902 15.999 > 49 91 O 0.05737701197670 0.08420598722440 0.74710281722902 15.999 > 49 92 O 0.05737701197670 0.58420598722440 0.74710281722902 15.999 > 49 93 O 0.82650617024948 0.49655842338205 0.00677003929591 15.999 > 53 94 O 0.82650617024948 0.99655842338205 0.00677003929591 15.999 > 53 95 O 0.82650617024948 0.49655842338205 0.50677003929591 15.999 > 53 96 O 0.82650617024948 0.99655842338205 0.50677003929591 15.999 > 53 97 O 0.67349382975052 0.49655842338205 0.00677003929591 15.999 > 57 98 O 0.67349382975052 0.99655842338205 0.00677003929591 15.999 > 57 99 O 0.67349382975052 0.49655842338205 0.50677003929591 15.999 > 57 100 O 0.67349382975052 0.99655842338205 0.50677003929591 15.999 > 57 101 O 0.17349382975052 0.00344157661795 0.00677003929591 15.999 > 61 102 O 0.17349382975052 0.50344157661795 0.00677003929591 15.999 > 61 103 O 0.17349382975052 0.00344157661795 0.50677003929591 15.999 > 61 104 O 0.17349382975052 0.50344157661795 0.50677003929591 15.999 > 61 105 O 0.32650617024948 0.00344157661795 0.00677003929591 15.999 > 65 106 O 0.32650617024948 0.50344157661795 0.00677003929591 15.999 > 65 107 O 0.32650617024948 0.00344157661795 0.50677003929591 15.999 > 65 108 O 0.32650617024948 0.50344157661795 0.50677003929591 15.999 > 65 109 O 0.44262298802330 0.08420598722440 0.24710281722902 15.999 > 69 110 O 0.44262298802330 0.58420598722440 0.24710281722902 15.999 > 69 111 O 0.44262298802330 0.08420598722440 0.74710281722902 15.999 > 69 112 O 0.44262298802330 0.58420598722440 0.74710281722902 15.999 > 69 113 O 0.75000000000000 0.06446960161989 0.29282848565508 15.999 > 73 114 O 0.75000000000000 0.56446960161989 0.29282848565508 15.999 > 73 115 O 0.75000000000000 0.06446960161989 0.79282848565508 15.999 > 73 116 O 0.75000000000000 0.56446960161989 0.79282848565508 15.999 > 73 117 O 0.55737701197670 0.41579401277560 0.24710281722902 15.999 > 77 118 O 0.55737701197670 0.91579401277560 0.24710281722902 15.999 > 77 119 O 0.55737701197670 0.41579401277560 0.74710281722902 15.999 > 77 120 O 0.55737701197670 0.91579401277560 0.74710281722902 15.999 > 77 121 O 0.94262298802330 0.41579401277560 0.24710281722902 15.999 > 81 122 O 0.94262298802330 0.91579401277560 0.24710281722902 15.999 > 81 123 O 0.94262298802330 0.41579401277560 0.74710281722902 15.999 > 81 124 O 0.94262298802330 0.91579401277560 0.74710281722902 15.999 > 81 125 O 0.25000000000000 0.43553039838011 0.29282848565508 15.999 > 85 126 O 0.25000000000000 0.93553039838011 0.29282848565508 15.999 > 85 127 O 0.25000000000000 0.43553039838011 0.79282848565508 15.999 > 85 128 O 0.25000000000000 0.93553039838011 0.79282848565508 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9634129 0.0000000 0.0000000 0.0000000 3.5812177 0.0000000 0.0000000 0.0000000 3.7929160 -------------------------- Born effective charges -------------------------- 1 Dy 3.9711016 0.0178825 0.0302782 -0.0703650 3.7597776 -0.0049308 0.1656659 -0.0106344 3.7547436 2 Dy 3.9711016 -0.0178825 -0.0302782 0.0703650 3.7597776 -0.0049308 -0.1656659 -0.0106344 3.7547436 3 Dy 3.9711016 -0.0178825 0.0302782 0.0703650 3.7597776 0.0049308 0.1656659 0.0106344 3.7547436 4 Dy 3.9711016 0.0178825 -0.0302782 -0.0703650 3.7597776 0.0049308 -0.1656659 0.0106344 3.7547436 5 C 3.8914667 -0.0000000 -0.0000000 -0.0000000 0.7941998 -1.2416379 -0.0000000 -1.2115045 2.3652833 6 C 3.8914667 -0.0000000 -0.0000000 -0.0000000 0.7941998 1.2416379 -0.0000000 1.2115045 2.3652833 7 O -2.2372601 -0.0058874 -0.0440484 -0.0053631 -2.4297449 -0.0174209 0.0340556 -0.0171547 -2.4550079 8 O -2.6723566 0.3564394 -0.6088224 0.3282901 -1.2687660 0.2545476 -0.5835874 0.2571821 -1.5740349 9 O -2.6723566 -0.3564394 0.6088224 -0.3282901 -1.2687660 0.2545476 0.5835874 0.2571821 -1.5740349 10 O -2.6723566 0.3564394 0.6088224 0.3282901 -1.2687660 -0.2545476 0.5835874 -0.2571821 -1.5740349 11 O -2.6723566 -0.3564394 -0.6088224 -0.3282901 -1.2687660 -0.2545476 -0.5835874 -0.2571821 -1.5740349 12 O -2.2372601 0.0058874 0.0440484 0.0053631 -2.4297449 -0.0174209 -0.0340556 -0.0171547 -2.4550079 13 O -2.0144366 -0.0000000 -0.0000000 -0.0000000 -0.9167332 0.7131100 -0.0000000 0.6905061 -1.8166848 14 O -2.2372601 0.0058874 -0.0440484 0.0053631 -2.4297449 0.0174209 0.0340556 0.0171547 -2.4550079 15 O -2.2372601 -0.0058874 0.0440484 -0.0053631 -2.4297449 0.0174209 -0.0340556 0.0171547 -2.4550079 16 O -2.0144366 -0.0000000 -0.0000000 -0.0000000 -0.9167332 -0.7131100 -0.0000000 -0.6905061 -1.8166848 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (yyy) -0.00000007 (yyy) -0.00000007 (yyy) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- 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 ... [ 3 15 15 ] 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: 0.72, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 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 1.448 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 -0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 -0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 -0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 -0.000) 0.000 8.973 ( 0.000 0.000 -0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 11.431 ( 0.000 0.000 0.000) 0.000 11.609 ( 0.000 0.000 -0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.878 ( 0.000 0.000 0.000) 0.000 12.992 ( 0.000 0.000 -0.000) 0.000 12.993 ( 0.000 0.000 -0.000) 0.000 13.154 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 13.855 ( 0.000 0.000 -0.000) 0.000 13.970 ( 0.000 0.000 0.000) 0.000 16.545 ( 0.000 0.000 -0.000) 0.000 19.390 ( 0.000 0.000 0.000) 0.000 19.398 ( 0.000 0.000 0.000) 0.000 22.068 ( 0.000 0.000 0.000) 0.000 22.143 ( 0.000 0.000 0.000) 0.000 24.352 ( 0.000 0.000 0.000) 0.000 24.361 ( 0.000 0.000 0.000) 0.000 32.501 ( 0.000 0.000 0.000) 0.000 32.504 ( 0.000 0.000 0.000) 0.000 43.793 ( 0.000 0.000 -0.000) 0.000 43.796 ( 0.000 0.000 0.000) 0.000 43.978 ( 0.000 0.000 0.000) 0.000 46.741 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 26.219 0.000 0.000) 26.219 0.711 ( 27.810 0.000 0.000) 27.810 1.235 ( -15.830 0.000 0.000) 15.830 1.368 ( -19.613 0.000 0.000) 19.613 1.397 ( 61.961 0.000 0.000) 61.961 2.679 ( -21.269 0.000 0.000) 21.269 2.694 ( 5.260 0.000 0.000) 5.260 2.750 ( -28.385 0.000 0.000) 28.385 2.854 ( -5.230 0.000 0.000) 5.230 2.858 ( -2.933 0.000 0.000) 2.933 4.469 ( 0.441 0.000 0.000) 0.441 4.479 ( -0.299 0.000 0.000) 0.299 4.814 ( 0.328 0.000 0.000) 0.328 4.816 ( -0.060 0.000 0.000) 0.060 5.097 ( 37.970 0.000 0.000) 37.970 5.804 ( -23.821 0.000 0.000) 23.821 8.011 ( 1.670 0.000 0.000) 1.670 8.017 ( 1.244 0.000 0.000) 1.244 8.460 ( 1.334 0.000 0.000) 1.334 8.501 ( -2.251 0.000 0.000) 2.251 8.682 ( 0.694 0.000 0.000) 0.694 8.695 ( -0.419 0.000 0.000) 0.419 10.086 ( 0.290 0.000 0.000) 0.290 10.116 ( -2.300 0.000 0.000) 2.300 11.490 ( 4.358 0.000 0.000) 4.358 11.577 ( -2.863 0.000 0.000) 2.863 11.763 ( 3.963 0.000 0.000) 3.963 11.863 ( -4.246 0.000 0.000) 4.246 12.992 ( 0.286 0.000 0.000) 0.286 13.010 ( -1.137 0.000 0.000) 1.137 13.171 ( 1.284 0.000 0.000) 1.284 13.197 ( -0.833 0.000 0.000) 0.833 13.887 ( 2.519 0.000 0.000) 2.519 13.944 ( -2.165 0.000 0.000) 2.165 16.548 ( 0.283 0.000 0.000) 0.283 16.555 ( -0.286 0.000 0.000) 0.286 19.392 ( 0.179 0.000 0.000) 0.179 19.396 ( -0.180 0.000 0.000) 0.180 22.144 ( 0.044 0.000 0.000) 0.044 22.145 ( -0.044 0.000 0.000) 0.044 24.354 ( 0.170 0.000 0.000) 0.170 24.359 ( -0.169 0.000 0.000) 0.169 32.502 ( 0.063 0.000 0.000) 0.063 32.503 ( -0.063 0.000 0.000) 0.063 43.794 ( 0.072 0.000 0.000) 0.072 43.796 ( -0.073 0.000 0.000) 0.073 46.740 ( 0.000 0.000 0.000) 0.000 46.740 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/128) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 0.000 18.578 14.584) 23.618 0.610 ( 0.000 14.599 25.784) 29.630 0.991 ( 0.000 24.114 42.435) 48.808 1.509 ( 0.000 5.534 2.713) 6.163 1.751 ( 0.000 5.471 12.464) 13.612 2.588 ( 0.000 0.668 -3.780) 3.838 2.654 ( 0.000 1.061 3.463) 3.622 2.909 ( 0.000 1.368 1.633) 2.130 3.030 ( 0.000 6.441 11.559) 13.232 3.784 ( 0.000 5.775 9.958) 11.511 4.385 ( 0.000 2.511 3.865) 4.609 4.525 ( 0.000 -6.556 1.323) 6.689 4.703 ( 0.000 -5.866 6.851) 9.019 4.826 ( 0.000 3.468 0.807) 3.561 5.942 ( 0.000 -1.056 -8.422) 8.488 6.244 ( 0.000 -2.060 2.428) 3.184 6.881 ( 0.000 -0.237 -0.584) 0.631 7.825 ( 0.000 -10.826 -10.287) 14.934 8.404 ( 0.000 -3.087 2.855) 4.204 8.558 ( 0.000 0.590 1.858) 1.950 8.669 ( 0.000 0.230 -1.993) 2.006 8.894 ( 0.000 10.436 -6.751) 12.429 8.927 ( 0.000 0.007 -5.310) 5.310 9.922 ( 0.000 1.367 -17.653) 17.706 11.569 ( 0.000 -5.682 -5.401) 7.839 11.640 ( 0.000 -5.595 4.091) 6.931 11.828 ( 0.000 7.313 -8.473) 11.192 12.741 ( 0.000 -6.457 -18.295) 19.401 12.893 ( 0.000 -10.666 -5.467) 11.986 13.118 ( 0.000 -4.381 -0.103) 4.383 13.182 ( 0.000 -4.183 2.920) 5.101 13.695 ( 0.000 -3.603 -14.026) 14.481 13.842 ( 0.000 9.764 17.549) 20.083 14.237 ( 0.000 9.241 22.924) 24.717 15.361 ( 0.000 17.396 -0.354) 17.400 16.331 ( 0.000 -6.132 -17.829) 18.854 19.349 ( 0.000 0.425 -4.767) 4.786 19.452 ( 0.000 -4.084 -1.776) 4.454 22.087 ( 0.000 -0.239 1.871) 1.886 22.178 ( 0.000 0.870 3.779) 3.878 24.357 ( 0.000 0.381 -0.229) 0.444 24.433 ( 0.000 5.194 -0.977) 5.285 32.491 ( 0.000 -1.314 -0.193) 1.328 32.579 ( 0.000 -1.101 0.896) 1.419 43.909 ( 0.000 -3.620 -5.574) 6.646 43.927 ( 0.000 -8.711 18.705) 20.634 45.128 ( 0.000 -22.455 26.526) 34.754 46.345 ( 0.000 -19.218 -31.250) 36.687 ======================= Grid point 4 (4/128) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 20.728 11.647 5.624) 24.432 0.852 ( 18.210 11.020 13.520) 25.215 1.311 ( -12.421 7.216 4.433) 15.033 1.461 ( -15.683 2.721 11.120) 19.417 1.703 ( 41.268 12.877 21.238) 48.165 2.562 ( -15.120 1.101 -1.553) 15.239 2.724 ( 4.853 1.037 2.752) 5.674 2.875 ( -3.304 2.045 2.087) 4.411 2.994 ( -3.590 6.388 12.216) 14.246 3.083 ( -26.177 10.467 18.278) 33.598 4.516 ( 0.199 -6.473 1.873) 6.741 4.695 ( 1.574 -5.779 13.288) 14.576 4.820 ( 0.643 7.828 -1.099) 7.931 5.085 ( 1.408 9.411 11.694) 15.076 5.117 ( 9.636 7.862 9.682) 15.761 5.762 ( -22.542 -1.868 -2.839) 22.796 7.668 ( 15.220 -16.391 -19.344) 29.572 7.820 ( -1.496 -11.761 -12.439) 17.184 8.457 ( 2.962 -3.164 1.936) 4.747 8.540 ( -2.799 2.164 1.870) 4.002 8.670 ( 1.242 -0.406 -1.014) 1.654 8.725 ( -2.411 2.261 0.063) 3.305 9.526 ( 22.576 -4.688 -29.360) 37.332 9.858 ( -5.903 1.572 -21.343) 22.200 11.605 ( 2.778 -7.170 -2.641) 8.130 11.655 ( 0.364 -7.450 2.321) 7.812 11.835 ( 2.968 10.820 -2.903) 11.589 12.143 ( -28.542 11.356 11.648) 32.852 12.943 ( 2.298 -5.203 -5.432) 7.865 13.026 ( -6.482 -0.725 0.483) 6.540 13.155 ( 0.516 -1.833 1.720) 2.566 13.187 ( -1.577 -1.263 0.726) 2.147 14.129 ( 4.412 8.229 18.505) 20.728 14.204 ( -2.525 8.867 21.892) 23.754 16.051 ( 21.166 -9.693 -30.162) 38.101 16.289 ( -4.313 -7.350 -20.720) 22.404 19.353 ( 0.468 -0.258 -4.044) 4.080 19.385 ( -2.568 -1.090 -1.581) 3.207 22.132 ( 1.271 -2.322 0.950) 2.812 22.186 ( 0.395 1.864 3.522) 4.004 24.356 ( 0.001 0.184 -0.106) 0.213 24.405 ( -0.922 4.305 1.482) 4.646 32.492 ( 0.091 -1.521 0.012) 1.524 32.531 ( -1.534 0.698 1.630) 2.345 43.888 ( -0.082 -7.241 13.429) 15.257 44.082 ( 2.658 9.488 17.463) 20.051 45.869 ( 28.801 -38.490 -38.077) 61.325 46.293 ( -4.850 -20.066 -32.617) 38.601 ======================= Grid point 6 (5/128) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 16.595 14.994) 22.366 1.166 ( 0.000 16.605 19.591) 25.681 1.653 ( 0.000 3.398 9.284) 9.886 1.929 ( 0.000 22.502 37.178) 43.457 2.108 ( 0.000 9.606 18.294) 20.663 2.569 ( 0.000 4.248 0.081) 4.248 2.765 ( 0.000 1.955 8.108) 8.341 2.974 ( 0.000 2.491 3.531) 4.321 3.385 ( 0.000 10.791 18.150) 21.115 4.083 ( 0.000 9.396 14.632) 17.389 4.361 ( 0.000 -6.605 -10.703) 12.577 4.525 ( 0.000 5.106 7.702) 9.240 4.704 ( 0.000 -4.974 -1.099) 5.094 5.034 ( 0.000 6.056 15.156) 16.321 5.759 ( 0.000 -2.313 -9.643) 9.917 6.253 ( 0.000 -1.778 1.083) 2.082 6.860 ( 0.000 -0.825 -1.261) 1.507 7.482 ( 0.000 -15.548 -12.163) 19.741 8.397 ( 0.000 -6.026 0.338) 6.036 8.623 ( 0.000 2.155 4.555) 5.039 8.629 ( 0.000 -1.627 -1.552) 2.249 8.798 ( 0.000 -1.010 -8.573) 8.633 8.872 ( 0.000 2.772 -3.746) 4.660 9.594 ( 0.000 3.426 -20.920) 21.199 11.355 ( 0.000 1.655 -16.422) 16.505 11.500 ( 0.000 -3.040 -14.463) 14.779 11.836 ( 0.000 3.241 1.932) 3.773 12.374 ( 0.000 -6.910 -14.969) 16.487 12.591 ( 0.000 -17.793 -11.581) 21.230 13.046 ( 0.000 -9.149 -1.956) 9.356 13.200 ( 0.000 -0.945 1.731) 1.972 13.387 ( 0.000 -1.695 -15.777) 15.867 14.219 ( 0.000 5.950 16.232) 17.288 14.801 ( 0.000 11.852 25.905) 28.487 15.460 ( 0.000 2.166 -4.152) 4.684 15.999 ( 0.000 -0.274 -10.387) 10.391 19.248 ( 0.000 -0.162 -6.802) 6.803 19.360 ( 0.000 -2.310 -4.847) 5.370 22.118 ( 0.000 -1.758 2.981) 3.460 22.283 ( 0.000 2.350 5.728) 6.192 24.356 ( 0.000 0.177 -0.127) 0.218 24.478 ( 0.000 4.672 0.116) 4.673 32.475 ( 0.000 -1.344 -0.004) 1.344 32.582 ( 0.000 -0.184 0.102) 0.211 43.725 ( 0.000 -6.181 -9.395) 11.246 44.183 ( 0.000 -15.855 23.977) 28.745 45.439 ( 0.000 -26.543 -41.792) 49.509 45.445 ( 0.000 2.519 20.743) 20.895 ======================= Grid point 7 (6/128) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 12.524 13.578 10.964) 21.481 1.251 ( 3.042 16.400 12.789) 21.019 1.525 ( -5.747 3.964 14.299) 15.912 1.778 ( -16.029 9.020 16.804) 24.913 2.288 ( 22.556 16.623 26.402) 38.499 2.659 ( -2.279 6.319 7.245) 9.880 2.824 ( 4.414 1.745 7.586) 8.949 2.960 ( -1.433 3.102 5.038) 6.088 3.363 ( -0.798 11.332 18.858) 22.015 3.557 ( -23.104 13.436 21.444) 34.266 4.362 ( 0.109 -6.068 -10.703) 12.304 4.700 ( 0.919 -7.519 -0.244) 7.579 5.003 ( 17.547 7.838 4.152) 19.662 5.202 ( 17.833 3.372 10.583) 21.009 5.469 ( -19.583 4.976 5.189) 20.861 5.757 ( -23.909 1.004 6.991) 24.931 7.241 ( 14.873 -11.669 -12.549) 22.690 7.449 ( -3.588 -14.139 -13.213) 19.681 8.424 ( 1.301 -6.440 -0.769) 6.615 8.605 ( -1.440 2.241 0.451) 2.702 8.655 ( 1.283 1.943 0.305) 2.348 8.715 ( -1.538 -1.593 -1.192) 2.514 9.122 ( 12.460 -3.019 -16.299) 20.737 9.524 ( -5.375 5.371 -19.731) 21.143 11.390 ( 2.780 0.610 -16.859) 17.097 11.471 ( -2.534 -1.409 -15.462) 15.732 11.915 ( 7.481 0.031 2.435) 7.868 12.176 ( -13.303 -5.079 -4.286) 14.871 12.692 ( 6.766 -12.617 -11.693) 18.485 12.914 ( -11.579 -9.322 -6.691) 16.302 13.188 ( -1.433 0.354 1.162) 1.879 13.197 ( -2.767 2.125 -0.915) 3.607 14.490 ( 13.313 4.535 13.136) 19.245 14.710 ( -7.060 9.039 20.911) 23.850 15.663 ( 13.453 -1.458 -10.263) 16.983 15.913 ( -7.707 -1.590 -11.657) 14.065 19.256 ( 0.657 -1.195 -6.206) 6.354 19.321 ( -2.197 -0.451 -4.518) 5.045 22.139 ( 0.994 -2.868 2.847) 4.162 22.289 ( 0.368 2.764 5.175) 5.878 24.356 ( -0.001 0.143 -0.105) 0.177 24.471 ( -0.363 4.707 0.742) 4.779 32.478 ( 0.221 -1.495 0.199) 1.524 32.556 ( -1.315 0.475 0.667) 1.549 44.003 ( 10.638 -7.611 2.496) 13.316 44.270 ( 10.476 -10.680 5.596) 15.972 45.106 ( -13.981 -27.335 -23.985) 38.961 45.666 ( 5.581 -5.629 -6.259) 10.100 ======================= Grid point 9 (7/128) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 14.949 14.797) 21.034 1.604 ( 0.000 16.554 11.432) 20.118 1.914 ( 0.000 1.310 18.054) 18.102 2.536 ( 0.000 9.527 19.130) 21.371 2.549 ( 0.000 9.027 11.211) 14.393 2.748 ( 0.000 9.023 10.810) 14.081 3.064 ( 0.000 12.607 23.179) 26.386 3.080 ( 0.000 3.776 4.928) 6.208 3.830 ( 0.000 11.646 18.860) 22.166 4.041 ( 0.000 -6.765 -16.547) 17.877 4.442 ( 0.000 8.510 10.347) 13.397 4.616 ( 0.000 -4.642 1.055) 4.760 4.741 ( 0.000 6.695 9.803) 11.871 5.322 ( 0.000 2.352 6.583) 6.990 5.645 ( 0.000 1.466 3.031) 3.367 6.255 ( 0.000 -0.423 0.849) 0.949 6.819 ( 0.000 -1.784 -2.101) 2.756 7.128 ( 0.000 -15.607 -9.815) 18.437 8.275 ( 0.000 -7.209 -6.923) 9.994 8.588 ( 0.000 -4.508 -9.022) 10.086 8.591 ( 0.000 -2.901 0.005) 2.901 8.778 ( 0.000 5.872 5.235) 7.866 8.813 ( 0.000 -0.231 -4.716) 4.722 9.333 ( 0.000 3.839 -12.465) 13.043 11.061 ( 0.000 3.329 -19.778) 20.056 11.162 ( 0.000 -0.314 -20.966) 20.968 11.863 ( 0.000 -5.674 -0.656) 5.712 12.122 ( 0.000 -0.271 -7.796) 7.801 12.178 ( 0.000 -17.406 -14.388) 22.583 12.798 ( 0.000 -14.277 -11.700) 18.458 13.207 ( 0.000 2.794 -6.291) 6.884 13.214 ( 0.000 0.546 0.034) 0.547 14.513 ( 0.000 2.614 12.580) 12.849 15.286 ( 0.000 -4.982 -9.391) 10.631 15.290 ( 0.000 8.575 17.746) 19.709 15.982 ( 0.000 4.097 1.255) 4.285 19.115 ( 0.000 -1.507 -7.493) 7.643 19.250 ( 0.000 -0.326 -5.979) 5.987 22.155 ( 0.000 -2.315 3.649) 4.322 22.402 ( 0.000 2.243 4.883) 5.373 24.356 ( 0.000 0.098 -0.122) 0.156 24.528 ( 0.000 4.388 0.271) 4.396 32.465 ( 0.000 -0.853 0.146) 0.866 32.578 ( 0.000 -0.135 -0.364) 0.388 43.479 ( 0.000 -7.173 -10.671) 12.858 44.411 ( 0.000 -17.043 21.832) 27.697 44.490 ( 0.000 -24.056 -35.983) 43.284 45.844 ( 0.000 7.621 18.222) 19.752 ======================= Grid point 10 (8/128) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 8.089 13.346 13.216) 20.450 1.591 ( -4.630 15.134 8.780) 18.099 1.877 ( 0.708 3.655 20.620) 20.953 2.172 ( -12.502 9.988 16.554) 23.024 2.802 ( 7.463 8.973 13.184) 17.607 2.894 ( 3.155 6.376 10.729) 12.873 3.054 ( 3.094 6.841 12.355) 14.458 3.153 ( 3.404 9.370 14.609) 17.686 3.823 ( 1.840 11.062 18.202) 21.379 4.005 ( -8.347 1.738 0.030) 8.526 4.117 ( -9.123 6.716 4.260) 12.103 4.600 ( -0.164 -7.696 -1.079) 7.773 5.096 ( 16.063 3.769 2.000) 16.620 5.343 ( -2.706 2.604 -2.550) 4.539 5.625 ( 4.613 4.356 14.335) 15.676 5.954 ( -18.877 2.491 10.096) 21.552 6.981 ( 8.159 -8.049 -6.674) 13.263 7.109 ( -2.281 -12.824 -10.046) 16.449 8.291 ( 0.831 -7.446 -6.602) 9.986 8.537 ( -1.026 -2.268 -7.139) 7.561 8.636 ( 0.144 0.890 -3.540) 3.654 8.771 ( 0.694 -0.060 4.479) 4.533 8.870 ( 2.622 -1.168 -8.075) 8.569 9.317 ( -0.990 4.934 -10.245) 11.415 11.076 ( 1.018 2.041 -19.928) 20.058 11.147 ( -1.061 1.067 -20.846) 20.901 11.856 ( -0.350 -9.858 -4.848) 10.991 12.035 ( -2.436 -4.083 -5.415) 7.206 12.349 ( 9.507 -10.840 -11.664) 18.546 12.651 ( -10.552 -10.546 -10.500) 18.243 13.189 ( -0.236 2.496 -2.255) 3.372 13.203 ( -0.937 0.957 -0.322) 1.377 14.687 ( 12.718 0.796 7.643) 14.859 14.985 ( -13.431 0.551 4.819) 14.280 15.606 ( 14.046 2.792 3.051) 14.642 15.876 ( -9.179 3.604 1.759) 10.017 19.120 ( 0.264 -2.257 -7.358) 7.700 19.233 ( -0.959 0.762 -5.620) 5.752 22.167 ( 0.622 -2.863 3.609) 4.648 22.403 ( 0.051 2.412 4.508) 5.113 24.356 ( -0.000 0.093 -0.117) 0.149 24.527 ( -0.068 4.419 0.399) 4.437 32.469 ( 0.256 -0.976 0.196) 1.028 32.565 ( -0.735 0.209 -0.028) 0.764 43.729 ( 19.481 -10.577 -16.278) 27.502 44.175 ( -17.603 -15.525 -16.787) 28.856 44.525 ( 0.803 -23.826 6.395) 24.683 45.860 ( 0.855 7.448 15.791) 17.481 ======================= Grid point 12 (9/128) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.000 14.023 13.716) 19.616 1.924 ( 0.000 11.597 9.947) 15.278 2.268 ( 0.000 3.389 18.928) 19.229 2.779 ( 0.000 9.435 7.688) 12.171 2.931 ( 0.000 6.618 16.267) 17.562 2.932 ( 0.000 3.232 4.111) 5.229 3.212 ( 0.000 5.234 4.815) 7.112 3.565 ( 0.000 4.924 -1.266) 5.084 3.771 ( 0.000 5.045 6.177) 7.975 4.234 ( 0.000 9.298 14.632) 17.336 4.383 ( 0.000 -8.237 -5.415) 9.858 4.860 ( 0.000 7.848 12.552) 14.803 4.983 ( 0.000 6.732 9.960) 12.022 5.299 ( 0.000 -0.066 -1.961) 1.962 5.915 ( 0.000 4.969 17.438) 18.132 6.282 ( 0.000 1.957 1.435) 2.427 6.728 ( 0.000 -5.608 -6.746) 8.772 6.862 ( 0.000 -10.012 -2.636) 10.354 8.004 ( 0.000 -7.391 -14.953) 16.680 8.420 ( 0.000 -2.911 -4.988) 5.775 8.565 ( 0.000 -5.282 0.838) 5.348 8.713 ( 0.000 -0.072 -5.677) 5.677 8.927 ( 0.000 6.228 3.792) 7.291 9.245 ( 0.000 1.731 -1.605) 2.361 10.765 ( 0.000 3.503 -18.108) 18.444 10.816 ( 0.000 1.643 -18.914) 18.986 11.675 ( 0.000 -8.684 -9.387) 12.788 11.765 ( 0.000 -13.971 -14.357) 20.033 12.101 ( 0.000 2.569 0.618) 2.643 12.441 ( 0.000 -12.624 -12.251) 17.592 13.163 ( 0.000 3.049 -3.157) 4.389 13.211 ( 0.000 1.430 -1.548) 2.108 14.705 ( 0.000 -0.100 8.220) 8.221 15.110 ( 0.000 -5.061 -4.923) 7.060 15.587 ( 0.000 4.600 9.499) 10.554 16.035 ( 0.000 1.696 0.693) 1.832 18.965 ( 0.000 -2.410 -7.410) 7.792 19.153 ( 0.000 0.993 -5.558) 5.646 22.194 ( 0.000 -2.156 3.495) 4.107 22.487 ( 0.000 1.353 2.849) 3.154 24.354 ( 0.000 0.032 -0.136) 0.140 24.575 ( 0.000 3.843 0.242) 3.850 32.461 ( 0.000 -0.412 0.137) 0.434 32.567 ( 0.000 -0.247 -0.713) 0.754 43.228 ( 0.000 -6.794 -9.788) 11.915 43.746 ( 0.000 -17.882 -25.134) 30.846 44.591 ( 0.000 -14.766 17.977) 23.264 46.202 ( 0.000 6.729 14.433) 15.924 ======================= Grid point 13 (10/128) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 5.545 12.724 12.804) 18.884 1.887 ( -4.358 11.350 10.169) 15.850 2.268 ( 1.381 5.270 18.739) 19.515 2.533 ( -9.357 9.423 13.725) 19.098 2.997 ( 5.149 4.235 3.403) 7.485 3.113 ( -1.256 2.633 9.297) 9.744 3.307 ( 12.121 8.565 9.286) 17.507 3.541 ( -2.759 6.601 2.332) 7.525 3.712 ( -4.260 -1.251 -1.698) 4.754 4.172 ( -1.499 3.669 1.620) 4.281 4.446 ( 1.808 5.697 13.591) 14.847 4.653 ( -7.497 4.102 13.092) 15.634 5.172 ( 6.508 2.488 3.059) 7.609 5.318 ( 1.110 3.409 -0.538) 3.625 5.941 ( 3.418 4.871 14.919) 16.062 6.127 ( -9.846 1.947 7.413) 12.477 6.795 ( 3.037 -7.343 -9.016) 12.018 6.879 ( 0.875 -8.403 -0.965) 8.503 8.045 ( 2.470 -6.365 -13.100) 14.773 8.368 ( -2.860 -3.402 -7.448) 8.673 8.602 ( 2.592 -2.549 -0.850) 3.733 8.673 ( -2.981 -1.961 -4.927) 6.084 8.938 ( 0.593 5.238 4.132) 6.698 9.253 ( 0.418 1.698 -1.904) 2.585 10.776 ( 0.808 2.777 -17.325) 17.564 10.807 ( -0.719 2.133 -19.389) 19.519 11.597 ( -3.100 -11.517 -10.428) 15.843 11.816 ( 1.609 -8.820 -12.424) 15.321 12.165 ( 4.349 -2.534 -2.430) 5.589 12.378 ( -4.285 -8.731 -9.133) 13.342 13.174 ( 0.895 2.511 -2.436) 3.611 13.198 ( -0.996 1.843 -1.755) 2.733 14.789 ( 6.604 -1.258 4.670) 8.185 14.991 ( -8.029 -3.314 0.216) 8.689 15.732 ( 10.137 3.004 5.384) 11.864 15.945 ( -7.672 1.924 1.874) 8.129 18.965 ( 0.029 -2.637 -7.388) 7.845 19.148 ( -0.293 1.354 -5.364) 5.540 22.201 ( 0.357 -2.418 3.406) 4.192 22.485 ( -0.106 1.450 2.734) 3.097 24.354 ( 0.001 0.031 -0.136) 0.139 24.575 ( -0.003 3.851 0.260) 3.860 32.464 ( 0.173 -0.521 0.101) 0.558 32.561 ( -0.338 -0.051 -0.525) 0.626 43.358 ( 10.395 -9.663 -13.855) 19.834 43.618 ( -10.294 -14.769 -21.023) 27.678 44.605 ( 0.717 -15.608 17.139) 23.192 46.202 ( 0.018 6.828 14.188) 15.746 ======================= Grid point 15 (11/128) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.000 13.285 10.632) 17.016 2.196 ( 0.000 7.337 10.345) 12.683 2.606 ( 0.000 4.573 15.021) 15.702 2.879 ( 0.000 4.708 -12.541) 13.396 3.048 ( 0.000 5.804 10.603) 12.087 3.208 ( 0.000 1.976 10.295) 10.483 3.340 ( 0.000 5.849 2.931) 6.543 3.399 ( 0.000 -3.724 -1.883) 4.173 3.994 ( 0.000 4.489 -4.047) 6.044 4.260 ( 0.000 -5.770 1.565) 5.979 4.508 ( 0.000 5.616 8.600) 10.271 5.076 ( 0.000 6.093 7.038) 9.309 5.216 ( 0.000 5.797 9.435) 11.074 5.409 ( 0.000 3.594 11.307) 11.864 6.247 ( 0.000 4.582 13.964) 14.696 6.345 ( 0.000 3.288 3.017) 4.463 6.483 ( 0.000 -8.833 -10.257) 13.536 6.833 ( 0.000 -2.367 3.695) 4.389 7.666 ( 0.000 -6.568 -14.522) 15.938 8.344 ( 0.000 -2.806 -1.111) 3.018 8.458 ( 0.000 -7.508 -5.259) 9.167 8.678 ( 0.000 1.671 0.578) 1.768 9.019 ( 0.000 5.737 0.094) 5.738 9.287 ( 0.000 1.324 3.548) 3.787 10.511 ( 0.000 2.940 -15.325) 15.604 10.564 ( 0.000 2.935 -12.772) 13.105 11.420 ( 0.000 -10.053 -10.830) 14.777 11.424 ( 0.000 -7.472 -9.356) 11.973 12.137 ( 0.000 1.861 0.470) 1.920 12.139 ( 0.000 -9.759 -9.369) 13.529 13.148 ( 0.000 3.165 -2.412) 3.979 13.193 ( 0.000 1.763 -2.259) 2.866 14.800 ( 0.000 -1.766 4.261) 4.612 15.004 ( 0.000 -4.597 -1.905) 4.977 15.734 ( 0.000 1.832 4.301) 4.675 16.039 ( 0.000 -0.291 -0.786) 0.838 18.820 ( 0.000 -2.343 -6.236) 6.662 19.080 ( 0.000 1.286 -4.323) 4.510 22.229 ( 0.000 -1.643 2.694) 3.156 22.529 ( 0.000 0.510 1.075) 1.190 24.352 ( 0.000 -0.020 -0.142) 0.143 24.614 ( 0.000 3.004 0.173) 3.009 32.460 ( 0.000 -0.152 0.062) 0.164 32.550 ( 0.000 -0.318 -0.853) 0.911 43.011 ( 0.000 -5.839 -7.947) 9.861 43.256 ( 0.000 -11.119 -14.796) 18.509 44.730 ( 0.000 -11.204 13.420) 17.483 46.473 ( 0.000 4.633 10.208) 11.211 ======================= Grid point 16 (12/128) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 2.540 12.835 8.581) 15.647 2.173 ( -2.023 8.066 11.444) 14.146 2.615 ( 1.408 5.654 14.391) 15.526 2.833 ( -6.563 9.234 8.594) 14.219 2.954 ( 1.806 -0.858 -9.587) 9.793 3.275 ( -2.104 1.599 7.129) 7.603 3.413 ( 0.951 -2.450 -0.499) 2.675 3.517 ( 15.413 5.466 5.423) 17.229 3.915 ( -11.231 6.479 3.997) 13.568 4.061 ( -4.976 -6.593 -6.304) 10.391 4.709 ( 9.664 4.149 6.770) 12.508 4.954 ( -6.908 7.896 13.264) 16.912 5.264 ( 1.201 2.778 5.468) 6.250 5.451 ( 2.568 5.320 9.837) 11.474 6.214 ( -1.575 4.159 10.706) 11.593 6.247 ( -4.322 1.022 4.462) 6.296 6.559 ( 2.952 -6.522 -8.423) 11.055 6.863 ( 1.598 -3.048 4.479) 5.649 7.749 ( 5.287 -5.063 -13.282) 15.166 8.218 ( -6.544 -4.682 -5.684) 9.851 8.517 ( 2.018 -3.930 -2.407) 5.031 8.665 ( -0.728 2.040 1.416) 2.588 9.039 ( 1.210 4.442 1.555) 4.860 9.261 ( -1.515 -0.114 1.378) 2.051 10.510 ( 0.027 3.073 -16.381) 16.667 10.569 ( 0.182 2.308 -11.381) 11.615 11.315 ( -3.130 -8.398 -9.318) 12.929 11.510 ( 2.074 -8.808 -11.186) 14.388 12.126 ( -0.063 -1.486 -2.082) 2.558 12.164 ( 0.820 -5.672 -6.110) 8.377 13.158 ( 0.736 2.636 -2.390) 3.633 13.183 ( -0.715 2.199 -2.243) 3.221 14.829 ( 2.038 -2.204 2.288) 3.774 14.959 ( -2.868 -3.972 0.567) 4.932 15.820 ( 6.668 1.015 2.517) 7.199 15.971 ( -5.700 0.107 0.210) 5.705 18.820 ( -0.014 -2.376 -6.219) 6.657 19.078 ( -0.073 1.368 -4.260) 4.475 22.232 ( 0.168 -1.747 2.598) 3.135 22.528 ( -0.097 0.561 1.095) 1.234 24.352 ( 0.001 -0.019 -0.142) 0.144 24.614 ( 0.004 3.005 0.172) 3.010 32.461 ( 0.075 -0.224 0.024) 0.237 32.548 ( -0.124 -0.220 -0.765) 0.806 43.061 ( 3.674 -7.808 -10.334) 13.464 43.207 ( -3.620 -9.146 -12.470) 15.883 44.733 ( 0.158 -11.367 13.270) 17.474 46.472 ( -0.030 4.674 10.191) 11.212 ======================= Grid point 18 (13/128) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.000 11.381 -0.165) 11.382 2.422 ( 0.000 4.214 8.738) 9.701 2.670 ( 0.000 -0.970 -7.359) 7.423 2.870 ( 0.000 4.385 10.201) 11.104 3.305 ( 0.000 7.607 10.317) 12.819 3.311 ( 0.000 0.411 -0.010) 0.412 3.417 ( 0.000 -0.532 3.780) 3.818 3.431 ( 0.000 2.092 3.366) 3.963 3.847 ( 0.000 -4.579 -7.846) 9.084 4.180 ( 0.000 -3.190 -7.039) 7.728 4.668 ( 0.000 3.329 5.297) 6.256 5.295 ( 0.000 6.166 9.354) 11.204 5.411 ( 0.000 3.730 6.981) 7.915 5.656 ( 0.000 3.025 11.789) 12.171 6.236 ( 0.000 -5.957 -8.874) 10.688 6.383 ( 0.000 4.130 0.086) 4.131 6.528 ( 0.000 2.141 10.685) 10.897 6.893 ( 0.000 -0.220 3.719) 3.726 7.407 ( 0.000 -4.837 -8.044) 9.386 8.282 ( 0.000 -5.920 -6.141) 8.530 8.309 ( 0.000 -2.705 0.112) 2.708 8.727 ( 0.000 1.362 2.592) 2.928 9.061 ( 0.000 4.086 -0.840) 4.171 9.361 ( 0.000 2.256 2.332) 3.245 10.297 ( 0.000 1.424 -11.716) 11.802 10.429 ( 0.000 2.075 -6.321) 6.653 11.199 ( 0.000 -5.723 -5.492) 7.932 11.223 ( 0.000 -5.251 -5.995) 7.969 11.923 ( 0.000 -6.313 -5.985) 8.699 12.151 ( 0.000 1.235 -0.609) 1.377 13.142 ( 0.000 2.571 -1.710) 3.088 13.173 ( 0.000 1.484 -1.822) 2.350 14.828 ( 0.000 -1.973 1.580) 2.528 14.943 ( 0.000 -3.397 -0.581) 3.446 15.793 ( 0.000 0.441 1.691) 1.747 16.013 ( 0.000 -0.943 -1.168) 1.502 18.709 ( 0.000 -1.632 -4.113) 4.425 19.031 ( 0.000 0.972 -2.701) 2.871 22.253 ( 0.000 -0.996 1.622) 1.903 22.541 ( 0.000 0.058 0.149) 0.160 24.349 ( 0.000 -0.037 -0.113) 0.119 24.641 ( 0.000 1.913 0.098) 1.916 32.460 ( 0.000 -0.040 0.007) 0.040 32.533 ( 0.000 -0.268 -0.694) 0.744 42.836 ( 0.000 -4.662 -5.808) 7.448 42.996 ( 0.000 -5.008 -6.596) 8.282 44.825 ( 0.000 -6.993 8.303) 10.856 46.650 ( 0.000 2.601 6.038) 6.574 ======================= Grid point 19 (14/128) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -0.464 11.873 -2.189) 12.082 2.437 ( 0.732 5.698 10.262) 11.761 2.675 ( 0.335 -3.214 -6.841) 7.566 2.922 ( 4.173 4.915 10.356) 12.199 3.094 ( -7.800 6.035 8.363) 12.931 3.391 ( -0.856 1.361 4.595) 4.868 3.452 ( 0.756 0.528 3.403) 3.526 3.591 ( 13.503 -0.020 0.496) 13.513 3.844 ( -0.219 -4.415 -7.582) 8.777 3.968 ( -14.119 -1.020 -3.938) 14.693 4.802 ( 6.940 2.417 2.339) 7.712 5.218 ( -4.349 5.017 7.765) 10.216 5.423 ( 0.087 3.741 8.529) 9.314 5.691 ( 2.021 3.853 10.725) 11.574 6.260 ( 2.266 -2.365 -4.116) 5.260 6.334 ( -3.688 1.921 0.075) 4.159 6.487 ( -1.823 -0.063 5.896) 6.172 6.933 ( 1.982 -0.521 4.575) 5.013 7.518 ( 6.908 -3.375 -7.770) 10.930 8.075 ( -8.203 -4.322 -5.012) 10.540 8.467 ( 4.726 -1.904 -0.264) 5.102 8.722 ( -0.296 1.760 2.471) 3.048 9.084 ( 1.771 2.942 -0.459) 3.464 9.283 ( -4.874 -0.266 1.041) 4.991 10.292 ( -0.289 2.291 -11.881) 12.103 10.437 ( 0.415 1.049 -6.250) 6.351 11.131 ( -2.256 -3.805 -4.580) 6.368 11.277 ( 1.539 -6.351 -6.486) 9.207 11.985 ( 4.186 -4.990 -5.221) 8.347 12.117 ( -2.741 0.217 -1.241) 3.017 13.146 ( 0.273 2.298 -1.831) 2.951 13.169 ( -0.271 1.781 -1.721) 2.491 14.833 ( 0.299 -1.974 0.910) 2.194 14.929 ( -0.760 -3.302 0.335) 3.405 15.848 ( 4.200 -0.149 0.580) 4.242 15.965 ( -3.790 -0.511 -0.330) 3.838 18.709 ( -0.007 -1.630 -4.106) 4.417 19.030 ( -0.021 0.984 -2.687) 2.862 22.254 ( 0.058 -1.025 1.563) 1.870 22.540 ( -0.045 0.075 0.187) 0.206 24.349 ( 0.000 -0.037 -0.113) 0.119 24.641 ( 0.003 1.913 0.097) 1.915 32.460 ( 0.020 -0.070 -0.009) 0.074 32.532 ( -0.034 -0.231 -0.664) 0.704 42.845 ( 0.549 -5.334 -6.557) 8.470 42.986 ( -0.531 -4.340 -5.864) 7.315 44.826 ( 0.039 -7.029 8.269) 10.853 46.649 ( -0.018 2.615 6.042) 6.584 ======================= Grid point 21 (15/128) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 3.123 -5.715) 6.513 2.565 ( 0.000 1.414 3.764) 4.021 2.672 ( 0.000 0.944 2.679) 2.840 3.048 ( 0.000 2.884 5.750) 6.433 3.252 ( 0.000 -1.136 -4.424) 4.568 3.465 ( 0.000 -1.699 2.879) 3.343 3.491 ( 0.000 0.233 1.806) 1.821 3.541 ( 0.000 8.592 5.698) 10.309 3.695 ( 0.000 -5.319 -3.309) 6.264 4.009 ( 0.000 -2.439 -6.790) 7.215 4.761 ( 0.000 1.335 2.275) 2.637 5.459 ( 0.000 2.419 3.658) 4.386 5.518 ( 0.000 1.128 2.458) 2.705 5.839 ( 0.000 1.209 5.602) 5.731 6.081 ( 0.000 -2.035 -3.694) 4.218 6.401 ( 0.000 1.571 -0.901) 1.811 6.673 ( 0.000 0.795 3.976) 4.055 6.930 ( 0.000 -0.023 0.658) 0.659 7.297 ( 0.000 -1.661 -1.418) 2.184 8.157 ( 0.000 -2.343 -2.667) 3.550 8.292 ( 0.000 -1.128 0.152) 1.138 8.776 ( 0.000 0.605 1.334) 1.464 9.077 ( 0.000 1.494 -0.455) 1.562 9.404 ( 0.000 1.304 0.515) 1.402 10.158 ( 0.000 0.258 -4.643) 4.650 10.374 ( 0.000 0.491 -1.811) 1.877 11.104 ( 0.000 -1.759 -1.494) 2.308 11.119 ( 0.000 -1.866 -1.825) 2.610 11.809 ( 0.000 -2.216 -2.092) 3.047 12.148 ( 0.000 0.448 -0.504) 0.675 13.140 ( 0.000 1.005 -0.636) 1.189 13.162 ( 0.000 0.591 -0.666) 0.891 14.828 ( 0.000 -0.840 0.323) 0.900 14.913 ( 0.000 -1.274 -0.115) 1.279 15.812 ( 0.000 0.028 0.435) 0.436 15.989 ( 0.000 -0.459 -0.516) 0.691 18.649 ( 0.000 -0.580 -1.430) 1.543 19.006 ( 0.000 0.355 -0.915) 0.981 22.265 ( 0.000 -0.330 0.532) 0.626 22.541 ( 0.000 -0.029 -0.042) 0.051 24.347 ( 0.000 -0.018 -0.044) 0.047 24.656 ( 0.000 0.657 0.031) 0.658 32.460 ( 0.000 -0.006 -0.005) 0.007 32.522 ( 0.000 -0.104 -0.267) 0.286 42.732 ( 0.000 -1.768 -2.094) 2.740 42.896 ( 0.000 -1.348 -1.800) 2.249 44.873 ( 0.000 -2.380 2.811) 3.683 46.736 ( 0.000 0.828 1.995) 2.160 ======================= Grid point 22 (16/128) ======================= q-point: ( 0.33 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -0.542 3.890 -5.821) 7.022 2.598 ( 2.438 0.698 3.256) 4.127 2.650 ( -1.877 0.809 2.880) 3.532 3.120 ( 5.031 3.360 6.561) 8.925 3.222 ( -2.704 1.331 0.845) 3.130 3.463 ( -0.165 1.684 1.654) 2.367 3.500 ( 0.532 0.245 1.399) 1.516 3.588 ( 4.009 -1.096 1.419) 4.392 3.702 ( 1.435 -2.590 -3.614) 4.672 3.856 ( -10.494 -1.423 -5.186) 11.791 4.855 ( 5.375 0.977 1.288) 5.612 5.325 ( -6.267 1.284 1.899) 6.673 5.577 ( 1.710 1.961 4.207) 4.947 5.860 ( 1.252 1.267 4.950) 5.260 6.158 ( 5.171 -1.012 -3.279) 6.206 6.342 ( -4.042 0.509 -0.383) 4.092 6.585 ( -4.300 0.522 3.108) 5.331 6.984 ( 2.398 0.014 1.383) 2.768 7.417 ( 7.205 -1.127 -1.756) 7.501 7.978 ( -8.048 -1.681 -2.164) 8.502 8.456 ( 6.790 -0.701 0.215) 6.829 8.770 ( -0.308 0.772 1.195) 1.455 9.094 ( 1.162 1.075 -0.505) 1.662 9.290 ( -6.848 -0.115 0.151) 6.851 10.161 ( -0.073 0.787 -4.615) 4.682 10.371 ( 0.013 0.108 -2.012) 2.015 11.067 ( -1.203 -0.724 -0.874) 1.655 11.160 ( 1.422 -2.332 -1.969) 3.368 11.883 ( 4.796 -1.948 -2.118) 5.593 12.102 ( -3.348 0.124 -0.587) 3.402 13.142 ( 0.064 0.954 -0.683) 1.175 13.161 ( -0.056 0.682 -0.633) 0.932 14.828 ( -0.014 -0.788 0.224) 0.819 14.908 ( -0.271 -1.299 0.060) 1.328 15.849 ( 2.614 -0.213 -0.013) 2.622 15.956 ( -2.402 -0.259 -0.140) 2.419 18.649 ( -0.003 -0.578 -1.429) 1.542 19.006 ( -0.012 0.356 -0.913) 0.980 22.265 ( 0.015 -0.334 0.514) 0.613 22.541 ( -0.015 -0.026 -0.028) 0.041 24.347 ( 0.000 -0.018 -0.044) 0.047 24.656 ( 0.002 0.657 0.031) 0.657 32.460 ( 0.003 -0.012 -0.007) 0.015 32.522 ( -0.008 -0.096 -0.261) 0.279 42.733 ( 0.065 -1.831 -2.168) 2.839 42.895 ( -0.056 -1.285 -1.729) 2.155 44.873 ( 0.012 -2.386 2.805) 3.682 46.736 ( -0.010 0.832 1.997) 2.163 ======================= Grid point 48 (17/128) ======================= q-point: ( 0.00 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 0.000 0.000 22.957) 22.957 0.969 ( 0.000 0.000 21.624) 21.624 1.632 ( 0.000 0.000 13.891) 13.891 1.671 ( 0.000 0.000 43.855) 43.855 2.000 ( 0.000 0.000 19.114) 19.114 2.524 ( 0.000 -0.000 -1.492) 1.492 2.758 ( 0.000 0.000 8.417) 8.417 2.955 ( 0.000 0.000 4.228) 4.228 3.268 ( 0.000 0.000 19.071) 19.071 3.974 ( 0.000 0.000 14.406) 14.406 4.472 ( 0.000 0.000 7.629) 7.629 4.546 ( 0.000 -0.000 -7.177) 7.177 4.611 ( 0.000 -0.000 -7.721) 7.721 5.006 ( 0.000 0.000 17.957) 17.957 5.780 ( 0.000 -0.000 -10.974) 10.974 6.273 ( 0.000 0.000 0.134) 0.134 6.866 ( 0.000 -0.000 -1.237) 1.237 7.655 ( 0.000 -0.000 -14.551) 14.551 8.474 ( 0.000 0.000 2.463) 2.463 8.581 ( 0.000 0.000 0.497) 0.497 8.660 ( 0.000 -0.000 -0.668) 0.668 8.819 ( 0.000 -0.000 -5.952) 5.952 8.822 ( 0.000 -0.000 -0.021) 0.021 9.543 ( 0.000 -0.000 -22.680) 22.680 11.316 ( 0.000 -0.000 -19.467) 19.467 11.523 ( 0.000 -0.000 -18.960) 18.960 11.805 ( 0.000 0.000 7.924) 7.924 12.449 ( 0.000 -0.000 -18.442) 18.442 12.835 ( 0.000 -0.000 -12.716) 12.716 13.113 ( 0.000 -0.000 -2.400) 2.400 13.209 ( 0.000 0.000 0.189) 0.189 13.403 ( 0.000 -0.000 -18.791) 18.791 14.179 ( 0.000 0.000 22.338) 22.338 14.652 ( 0.000 0.000 27.897) 27.897 15.441 ( 0.000 0.000 11.039) 11.039 15.983 ( 0.000 -0.000 -21.624) 21.624 19.245 ( 0.000 -0.000 -6.604) 6.604 19.391 ( 0.000 -0.000 -6.337) 6.337 22.144 ( 0.000 0.000 3.936) 3.936 22.251 ( 0.000 0.000 5.194) 5.194 24.375 ( 0.000 0.000 1.016) 1.016 24.401 ( 0.000 0.000 0.394) 0.394 32.495 ( 0.000 -0.000 -0.174) 0.174 32.580 ( 0.000 -0.000 -0.496) 0.496 43.790 ( 0.000 -0.000 -9.976) 9.976 44.424 ( 0.000 0.000 28.681) 28.681 45.400 ( 0.000 0.000 7.912) 7.912 45.726 ( 0.000 -0.000 -47.526) 47.526 ======================= Grid point 49 (18/128) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 14.226 0.000 15.165) 20.793 1.058 ( 3.962 0.000 14.303) 14.842 1.488 ( -4.991 0.000 19.248) 19.884 1.693 ( -19.099 0.000 17.244) 25.732 2.099 ( 30.001 0.000 29.068) 41.773 2.590 ( -5.213 0.000 6.892) 8.641 2.822 ( 5.201 0.000 8.149) 9.668 2.934 ( -2.329 0.000 5.466) 5.941 3.239 ( -1.832 0.000 19.578) 19.664 3.403 ( -24.766 0.000 23.226) 33.953 4.554 ( 1.628 -0.000 -7.400) 7.577 4.593 ( -1.522 -0.000 -7.731) 7.879 4.956 ( 17.754 0.000 7.363) 19.220 5.204 ( 22.212 0.000 12.974) 25.724 5.384 ( -25.687 0.000 11.408) 28.106 5.753 ( -23.246 0.000 4.079) 23.601 7.374 ( 18.627 -0.000 -18.927) 26.555 7.610 ( -4.847 -0.000 -16.579) 17.273 8.514 ( 2.231 0.000 1.315) 2.590 8.556 ( -1.680 0.000 0.683) 1.813 8.673 ( 0.852 -0.000 -0.489) 0.983 8.702 ( -2.317 -0.000 -0.474) 2.365 9.150 ( 16.897 -0.000 -15.735) 23.089 9.445 ( -8.886 -0.000 -22.105) 23.824 11.368 ( 4.303 -0.000 -19.330) 19.803 11.473 ( -4.215 -0.000 -19.138) 19.597 11.916 ( 10.097 0.000 7.882) 12.809 12.238 ( -16.672 -0.000 -2.582) 16.871 12.854 ( 2.271 -0.000 -11.617) 11.837 12.993 ( -12.417 -0.000 -6.545) 14.036 13.161 ( 0.355 -0.000 -0.608) 0.704 13.193 ( -1.395 -0.000 -0.149) 1.403 14.452 ( 10.727 0.000 19.716) 22.445 14.606 ( -4.207 0.000 26.255) 26.590 15.689 ( 14.881 -0.000 -11.677) 18.915 15.921 ( -6.018 -0.000 -20.942) 21.790 19.265 ( 1.846 -0.000 -6.025) 6.302 19.329 ( -3.847 -0.000 -5.259) 6.516 22.192 ( 2.915 0.000 3.463) 4.527 22.238 ( -1.216 0.000 4.595) 4.753 24.379 ( 0.383 0.000 1.014) 1.084 24.391 ( -0.651 0.000 0.835) 1.059 32.505 ( 0.956 0.000 0.119) 0.963 32.542 ( -2.304 0.000 0.458) 2.349 44.108 ( 17.941 -0.000 -2.857) 18.167 44.365 ( -5.936 0.000 20.731) 21.564 45.503 ( 7.871 -0.000 -15.762) 17.618 45.665 ( -5.442 -0.000 -41.579) 41.933 ======================= Grid point 51 (19/128) ======================= q-point: ( 0.00 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 3.107 22.805) 23.015 1.338 ( 0.000 7.772 16.854) 18.560 1.933 ( 0.000 -1.778 20.395) 20.473 2.374 ( 0.000 6.503 28.259) 28.998 2.380 ( 0.000 4.823 21.116) 21.660 2.575 ( 0.000 5.131 6.818) 8.533 2.953 ( 0.000 0.801 15.019) 15.040 3.049 ( 0.000 0.047 6.546) 6.546 3.653 ( 0.000 4.951 21.459) 22.022 4.150 ( 0.000 -0.596 -6.446) 6.473 4.366 ( 0.000 -6.428 5.961) 8.766 4.577 ( 0.000 9.211 -4.450) 10.230 4.641 ( 0.000 2.687 10.002) 10.356 5.341 ( 0.000 -3.287 18.601) 18.889 5.597 ( 0.000 2.724 -7.971) 8.424 6.262 ( 0.000 -0.197 -0.830) 0.853 6.838 ( 0.000 -0.332 -1.854) 1.884 7.370 ( 0.000 -6.715 -13.393) 14.982 8.415 ( 0.000 -5.558 -6.635) 8.656 8.546 ( 0.000 4.133 -9.359) 10.231 8.637 ( 0.000 -1.272 -0.812) 1.509 8.779 ( 0.000 -2.015 3.854) 4.349 8.817 ( 0.000 -0.173 -1.535) 1.544 9.237 ( 0.000 4.076 -12.673) 13.313 10.978 ( 0.000 3.201 -21.021) 21.264 11.158 ( 0.000 0.276 -22.674) 22.676 11.927 ( 0.000 -1.250 5.804) 5.937 12.136 ( 0.000 -0.506 -16.350) 16.357 12.473 ( 0.000 -9.762 -20.554) 22.755 12.977 ( 0.000 -1.482 -16.107) 16.175 13.167 ( 0.000 -0.430 -4.675) 4.694 13.212 ( 0.000 -0.137 0.166) 0.215 14.527 ( 0.000 -2.340 18.648) 18.795 15.116 ( 0.000 6.408 20.250) 21.240 15.483 ( 0.000 -13.577 -1.839) 13.701 15.799 ( 0.000 13.062 -3.773) 13.596 19.128 ( 0.000 -0.040 -6.886) 6.886 19.263 ( 0.000 -0.605 -7.573) 7.597 22.206 ( 0.000 -2.087 4.316) 4.794 22.352 ( 0.000 2.052 4.886) 5.299 24.374 ( 0.000 -1.937 0.782) 2.089 24.440 ( 0.000 3.945 0.630) 3.995 32.488 ( 0.000 -1.008 -0.021) 1.008 32.572 ( 0.000 0.481 -0.728) 0.872 43.582 ( 0.000 -2.659 -12.016) 12.306 44.809 ( 0.000 -17.504 25.377) 30.828 44.851 ( 0.000 -9.770 -44.720) 45.775 45.625 ( 0.000 11.527 11.775) 16.478 ======================= Grid point 52 (20/128) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 7.662 3.830 18.603) 20.481 1.346 ( -1.441 7.359 14.742) 16.540 1.864 ( -1.698 -0.877 22.672) 22.753 2.034 ( -14.344 3.219 19.245) 24.217 2.609 ( 14.190 7.166 22.821) 27.812 2.789 ( 2.803 3.167 13.236) 13.895 3.002 ( 3.518 -0.309 12.951) 13.424 3.054 ( 1.374 1.566 8.034) 8.300 3.636 ( 0.093 5.370 21.714) 22.368 3.826 ( -18.573 6.836 18.794) 27.293 4.275 ( -0.647 -13.480 -8.617) 16.012 4.563 ( -0.214 11.214 -7.786) 13.653 5.035 ( 18.652 1.011 3.307) 18.970 5.368 ( -8.436 -4.367 -0.798) 9.533 5.538 ( 7.979 4.330 15.416) 17.891 5.919 ( -20.450 0.963 10.910) 23.198 7.096 ( 13.556 -2.961 -11.277) 17.880 7.311 ( -5.766 -5.665 -13.630) 15.846 8.435 ( 1.252 -5.246 -7.724) 9.421 8.519 ( -1.667 2.913 -8.713) 9.337 8.632 ( -0.137 -3.254 -0.505) 3.295 8.745 ( -0.485 3.390 2.452) 4.211 8.947 ( 6.530 -4.546 -6.437) 10.234 9.186 ( -3.719 6.440 -10.036) 12.491 11.023 ( 3.615 2.024 -21.171) 21.573 11.116 ( -3.419 1.127 -22.101) 22.393 11.982 ( 4.193 -2.727 0.089) 5.002 12.090 ( -3.594 -1.508 -10.830) 11.510 12.546 ( 6.808 -6.558 -17.316) 19.728 12.792 ( -13.450 -2.520 -13.957) 19.546 13.154 ( 1.085 0.544 -0.573) 1.342 13.193 ( -1.682 0.205 -0.079) 1.696 14.727 ( 13.409 -3.063 13.772) 19.464 14.993 ( -9.579 -0.150 15.757) 18.441 15.590 ( 7.338 -2.974 -1.461) 8.052 15.740 ( -5.166 8.580 -3.176) 10.507 19.150 ( 1.860 -0.688 -6.834) 7.116 19.222 ( -2.856 0.225 -6.773) 7.354 22.236 ( 1.786 -3.491 4.058) 5.643 22.341 ( -0.773 3.251 4.441) 5.558 24.374 ( 0.022 -1.997 0.771) 2.141 24.438 ( -0.093 3.996 0.770) 4.070 32.497 ( 0.722 -1.467 0.073) 1.637 32.550 ( -1.389 1.052 -0.232) 1.758 43.881 ( 22.964 -3.946 -17.579) 29.188 44.415 ( -22.452 -6.789 -17.551) 29.296 45.060 ( 5.619 -25.604 1.173) 26.239 45.606 ( -1.097 17.146 7.981) 18.945 ======================= Grid point 54 (21/128) ======================= q-point: ( 0.00 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 2.980 20.255) 20.473 1.713 ( 0.000 8.364 16.820) 18.785 2.265 ( 0.000 -2.242 19.969) 20.094 2.644 ( 0.000 2.504 7.911) 8.298 2.790 ( 0.000 6.465 18.576) 19.669 2.867 ( 0.000 5.260 10.084) 11.373 3.175 ( 0.000 -0.501 8.084) 8.100 3.330 ( 0.000 9.930 18.296) 20.817 3.860 ( 0.000 -7.072 -12.858) 14.674 4.068 ( 0.000 6.352 18.915) 19.953 4.412 ( 0.000 3.356 -4.401) 5.534 4.750 ( 0.000 4.096 14.314) 14.888 4.856 ( 0.000 5.035 9.920) 11.124 5.337 ( 0.000 -3.764 -4.471) 5.844 5.811 ( 0.000 4.936 18.634) 19.277 6.255 ( 0.000 0.773 0.021) 0.774 6.792 ( 0.000 -1.519 -2.799) 3.185 7.079 ( 0.000 -8.919 -10.515) 13.788 8.146 ( 0.000 -6.529 -16.424) 17.674 8.395 ( 0.000 4.378 -9.594) 10.545 8.618 ( 0.000 0.109 -0.556) 0.566 8.750 ( 0.000 -3.528 -4.075) 5.390 8.868 ( 0.000 -0.456 5.884) 5.901 9.188 ( 0.000 3.838 0.228) 3.844 10.670 ( 0.000 4.785 -19.020) 19.612 10.779 ( 0.000 1.578 -21.265) 21.324 11.804 ( 0.000 -3.874 -13.536) 14.079 12.004 ( 0.000 -8.962 -21.370) 23.173 12.052 ( 0.000 2.057 2.137) 2.966 12.635 ( 0.000 -5.234 -17.271) 18.047 13.134 ( 0.000 -0.412 -0.336) 0.532 13.209 ( 0.000 -0.847 0.064) 0.849 14.765 ( 0.000 -5.083 13.333) 14.269 15.295 ( 0.000 -12.873 -1.932) 13.017 15.453 ( 0.000 7.637 10.479) 12.967 15.908 ( 0.000 10.554 -0.677) 10.575 19.004 ( 0.000 -1.320 -6.754) 6.882 19.135 ( 0.000 0.674 -6.910) 6.943 22.249 ( 0.000 -2.980 3.776) 4.810 22.446 ( 0.000 2.489 3.023) 3.915 24.369 ( 0.000 -1.515 0.670) 1.656 24.492 ( 0.000 4.062 0.678) 4.118 32.477 ( 0.000 -1.053 0.085) 1.056 32.563 ( 0.000 0.526 -0.954) 1.090 43.340 ( 0.000 -3.940 -11.643) 12.292 44.058 ( 0.000 -11.565 -33.539) 35.477 44.979 ( 0.000 -21.945 19.154) 29.129 45.981 ( 0.000 14.761 12.023) 19.038 ======================= Grid point 55 (22/128) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 4.675 4.425 17.678) 18.814 1.700 ( -2.247 7.182 17.037) 18.625 2.227 ( -0.762 -0.799 20.286) 20.316 2.385 ( -9.795 4.452 16.257) 19.495 2.938 ( 6.583 2.675 8.959) 11.434 3.069 ( 2.136 2.642 14.302) 14.700 3.183 ( 6.824 2.576 8.554) 11.242 3.338 ( -0.496 8.421 14.598) 16.860 3.837 ( -1.200 -6.443 -10.426) 12.314 4.029 ( -2.539 7.170 9.797) 12.403 4.322 ( -5.754 3.443 16.608) 17.911 4.600 ( -2.850 5.703 4.975) 8.087 5.113 ( 11.262 2.437 3.767) 12.123 5.290 ( -4.546 -0.927 -2.504) 5.272 5.863 ( 5.096 2.460 16.732) 17.663 6.096 ( -10.210 1.323 8.303) 13.226 6.909 ( 7.060 -3.747 -7.699) 11.097 7.047 ( -3.055 -6.693 -8.767) 11.446 8.169 ( 1.451 -5.586 -15.183) 16.243 8.360 ( -2.014 3.309 -10.913) 11.580 8.609 ( -0.477 -0.892 0.238) 1.039 8.738 ( -0.602 -1.180 -6.622) 6.753 8.903 ( 1.775 -2.513 6.245) 6.962 9.179 ( -0.529 5.323 -0.230) 5.354 10.701 ( 2.423 3.701 -19.071) 19.577 10.757 ( -1.945 2.236 -20.612) 20.824 11.783 ( -1.295 -6.343 -13.881) 15.316 11.910 ( -2.165 -1.208 -12.937) 13.173 12.247 ( 10.489 -4.352 -8.026) 13.906 12.515 ( -9.219 -4.156 -13.106) 16.554 13.151 ( 1.509 -0.211 -0.015) 1.524 13.190 ( -1.604 -0.555 0.001) 1.697 14.877 ( 8.610 -6.524 9.525) 14.402 15.114 ( -10.251 -7.774 5.206) 13.879 15.633 ( 10.062 5.219 3.659) 11.911 15.831 ( -6.646 8.792 0.463) 11.031 19.015 ( 0.679 -2.102 -7.062) 7.399 19.117 ( -1.075 1.550 -6.230) 6.509 22.265 ( 0.876 -3.679 3.520) 5.167 22.439 ( -0.439 3.038 2.902) 4.224 24.369 ( 0.004 -1.522 0.668) 1.663 24.492 ( -0.014 4.073 0.706) 4.134 32.483 ( 0.391 -1.305 0.037) 1.362 32.552 ( -0.650 0.852 -0.658) 1.257 43.519 ( 14.466 -5.768 -17.012) 23.064 43.873 ( -14.667 -9.352 -27.134) 32.231 45.019 ( 2.063 -23.871 16.400) 29.035 45.972 ( -0.493 15.898 11.955) 19.898 ======================= Grid point 57 (23/128) ======================= q-point: ( 0.00 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.000 4.189 15.135) 15.704 2.075 ( 0.000 4.889 16.933) 17.625 2.566 ( 0.000 -0.752 16.473) 16.490 2.752 ( 0.000 3.737 -2.044) 4.259 3.014 ( 0.000 0.197 6.871) 6.873 3.113 ( 0.000 6.086 10.202) 11.880 3.319 ( 0.000 -2.263 10.600) 10.839 3.484 ( 0.000 -3.055 -1.442) 3.378 3.802 ( 0.000 10.436 -0.037) 10.437 4.369 ( 0.000 -2.257 -0.309) 2.278 4.401 ( 0.000 4.523 12.671) 13.454 4.990 ( 0.000 2.009 8.427) 8.663 5.079 ( 0.000 6.999 8.762) 11.214 5.341 ( 0.000 3.036 7.560) 8.147 6.164 ( 0.000 3.100 15.408) 15.716 6.294 ( 0.000 1.901 4.154) 4.568 6.657 ( 0.000 -7.379 -9.251) 11.833 6.889 ( 0.000 -2.946 -2.430) 3.819 7.792 ( 0.000 -5.844 -15.652) 16.708 8.325 ( 0.000 4.334 -4.358) 6.147 8.583 ( 0.000 -1.942 -7.119) 7.379 8.647 ( 0.000 -1.637 0.179) 1.647 8.941 ( 0.000 1.143 2.233) 2.508 9.257 ( 0.000 1.900 3.055) 3.598 10.423 ( 0.000 5.021 -15.462) 16.257 10.492 ( 0.000 3.774 -14.367) 14.854 11.539 ( 0.000 -3.572 -12.115) 12.630 11.585 ( 0.000 -6.010 -17.689) 18.682 12.098 ( 0.000 1.730 0.527) 1.809 12.305 ( 0.000 -5.911 -14.030) 15.225 13.133 ( 0.000 -1.438 1.262) 1.914 13.200 ( 0.000 -1.985 0.759) 2.125 14.886 ( 0.000 -6.422 7.691) 10.019 15.159 ( 0.000 -10.637 -0.257) 10.640 15.644 ( 0.000 6.648 3.733) 7.624 15.969 ( 0.000 7.218 -2.671) 7.696 18.871 ( 0.000 -2.535 -6.068) 6.576 19.045 ( 0.000 1.940 -5.005) 5.368 22.276 ( 0.000 -2.830 2.705) 3.915 22.503 ( 0.000 1.993 1.014) 2.236 24.365 ( 0.000 -1.338 0.621) 1.475 24.544 ( 0.000 3.679 0.718) 3.748 32.470 ( 0.000 -0.762 0.103) 0.769 32.550 ( 0.000 0.315 -1.065) 1.111 43.113 ( 0.000 -4.070 -9.723) 10.541 43.473 ( 0.000 -9.395 -21.912) 23.841 45.050 ( 0.000 -19.503 13.814) 23.900 46.302 ( 0.000 12.222 8.807) 15.065 ======================= Grid point 58 (24/128) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 1.565 5.092 11.950) 13.084 2.061 ( -1.101 3.899 17.770) 18.226 2.541 ( -0.509 0.905 15.573) 15.608 2.673 ( -4.773 5.222 10.864) 12.965 2.990 ( 2.350 -2.524 -2.004) 3.988 3.267 ( -1.893 -0.335 8.157) 8.381 3.404 ( 12.829 5.291 9.914) 17.055 3.482 ( 0.327 -2.248 0.183) 2.279 3.776 ( -2.834 5.383 4.184) 7.383 4.098 ( -10.079 2.204 -3.661) 10.947 4.638 ( 9.456 3.561 12.046) 15.723 4.827 ( -8.356 4.303 12.977) 16.023 5.206 ( 4.444 2.789 3.770) 6.461 5.338 ( -0.201 5.019 7.169) 8.753 6.144 ( -0.983 1.963 12.556) 12.747 6.238 ( -2.893 0.547 7.289) 7.861 6.701 ( 2.120 -6.918 -9.632) 12.047 6.920 ( 1.661 -1.998 -1.098) 2.821 7.851 ( 3.894 -4.994 -14.320) 15.658 8.241 ( -5.158 2.698 -6.995) 9.100 8.581 ( -0.186 -2.049 -7.143) 7.433 8.626 ( -1.041 0.481 0.842) 1.423 8.989 ( 2.705 -0.037 4.112) 4.922 9.235 ( -1.431 2.647 1.218) 3.246 10.432 ( 0.573 4.026 -16.722) 17.210 10.497 ( 0.161 4.374 -12.858) 13.583 11.467 ( -2.785 -6.136 -14.066) 15.597 11.628 ( 1.180 -2.499 -15.027) 15.279 12.144 ( 3.152 -1.165 -2.913) 4.448 12.270 ( -2.571 -3.765 -10.608) 11.547 13.150 ( 1.365 -1.537 1.064) 2.314 13.185 ( -1.269 -1.809 0.963) 2.411 14.932 ( 3.315 -7.630 5.484) 9.964 15.091 ( -4.415 -8.749 2.689) 10.162 15.743 ( 7.290 6.221 1.326) 9.675 15.901 ( -5.787 6.741 -1.610) 9.029 18.873 ( 0.107 -2.744 -6.190) 6.772 19.041 ( -0.243 2.186 -4.740) 5.226 22.282 ( 0.368 -3.104 2.491) 3.997 22.499 ( -0.227 2.200 1.073) 2.458 24.365 ( 0.001 -1.339 0.621) 1.476 24.544 ( 0.001 3.683 0.721) 3.753 32.473 ( 0.184 -0.882 0.025) 0.901 32.545 ( -0.268 0.468 -0.898) 1.047 43.201 ( 6.998 -5.628 -13.014) 15.812 43.386 ( -6.966 -7.800 -18.617) 21.353 45.058 ( 0.446 -19.893 13.322) 23.946 46.299 ( -0.149 12.441 8.860) 15.274 ======================= Grid point 60 (25/128) ======================= q-point: ( 0.00 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 0.000 7.488 1.479) 7.632 2.384 ( 0.000 0.319 15.458) 15.461 2.673 ( 0.000 -0.599 -3.165) 3.221 2.811 ( 0.000 0.937 11.688) 11.725 3.176 ( 0.000 3.325 8.864) 9.467 3.250 ( 0.000 4.010 0.592) 4.054 3.481 ( 0.000 -4.936 11.074) 12.125 3.488 ( 0.000 -3.788 5.268) 6.489 3.804 ( 0.000 6.759 -8.198) 10.625 4.305 ( 0.000 -6.847 -3.292) 7.597 4.602 ( 0.000 2.778 7.055) 7.582 5.171 ( 0.000 5.039 9.587) 10.831 5.293 ( 0.000 7.535 6.954) 10.254 5.577 ( 0.000 5.276 11.710) 12.844 6.315 ( 0.000 1.694 3.245) 3.660 6.384 ( 0.000 -8.270 -11.144) 13.877 6.503 ( 0.000 0.935 13.587) 13.619 6.882 ( 0.000 1.479 0.565) 1.584 7.517 ( 0.000 -5.939 -8.832) 10.643 8.304 ( 0.000 3.193 -3.170) 4.499 8.392 ( 0.000 -4.594 -9.301) 10.373 8.676 ( 0.000 3.017 0.867) 3.139 8.983 ( 0.000 3.212 0.555) 3.260 9.310 ( 0.000 2.120 0.699) 2.233 10.237 ( 0.000 4.057 -11.389) 12.090 10.365 ( 0.000 4.123 -5.681) 7.019 11.284 ( 0.000 -2.651 -11.981) 12.271 11.325 ( 0.000 -4.260 -7.819) 8.904 12.037 ( 0.000 -4.521 -10.703) 11.619 12.107 ( 0.000 2.582 -1.696) 3.090 13.149 ( 0.000 -2.875 3.180) 4.287 13.200 ( 0.000 -3.499 2.493) 4.296 14.911 ( 0.000 -6.150 3.052) 6.865 15.060 ( 0.000 -8.147 -0.366) 8.155 15.734 ( 0.000 5.277 0.122) 5.279 15.973 ( 0.000 5.025 -3.790) 6.294 18.754 ( 0.000 -2.633 -4.274) 5.020 18.998 ( 0.000 2.133 -2.967) 3.654 22.286 ( 0.000 -2.208 1.489) 2.663 22.526 ( 0.000 1.443 -0.259) 1.466 24.363 ( 0.000 -1.289 0.620) 1.431 24.591 ( 0.000 2.942 0.745) 3.035 32.465 ( 0.000 -0.487 0.099) 0.497 32.534 ( 0.000 0.140 -0.942) 0.953 42.924 ( 0.000 -3.784 -7.562) 8.456 43.105 ( 0.000 -5.450 -12.178) 13.342 45.062 ( 0.000 -15.793 8.439) 17.906 46.529 ( 0.000 9.344 4.713) 10.466 ======================= Grid point 61 (26/128) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -1.387 7.971 -1.116) 8.167 2.380 ( -0.059 0.997 16.103) 16.134 2.706 ( 1.175 -1.577 1.647) 2.565 2.855 ( 4.496 2.508 9.488) 10.795 3.010 ( -7.194 0.855 8.321) 11.033 3.372 ( 0.768 0.845 3.395) 3.582 3.492 ( 0.693 -2.906 4.991) 5.816 3.587 ( 9.897 0.465 5.923) 11.543 3.815 ( 2.125 4.014 -5.613) 7.221 4.053 ( -15.314 -4.210 -0.632) 15.894 4.766 ( 7.516 0.795 3.377) 8.278 5.105 ( -3.779 5.459 10.996) 12.845 5.333 ( 1.525 5.148 6.491) 8.424 5.577 ( 0.089 7.293 10.544) 12.820 6.288 ( -0.739 -0.528 2.426) 2.590 6.341 ( -2.840 -2.600 1.805) 4.253 6.531 ( 1.492 -3.752 1.775) 4.410 6.926 ( 2.209 1.445 1.006) 2.825 7.601 ( 5.475 -4.734 -8.444) 11.121 8.134 ( -8.152 -0.838 -7.219) 10.921 8.466 ( 1.988 1.288 -4.663) 5.230 8.667 ( -0.529 3.147 1.056) 3.362 9.036 ( 3.573 1.226 0.869) 3.876 9.264 ( -3.126 1.821 -0.489) 3.651 10.227 ( -0.489 3.664 -11.354) 11.941 10.381 ( 0.845 4.354 -6.342) 7.739 11.212 ( -2.663 -3.886 -8.841) 10.018 11.376 ( 1.501 -2.969 -10.607) 11.117 12.064 ( 1.908 -2.579 -8.309) 8.907 12.099 ( -0.940 1.049 -3.603) 3.869 13.159 ( 0.693 -3.103 2.840) 4.263 13.191 ( -0.648 -3.345 2.768) 4.390 14.923 ( 0.737 -6.850 2.408) 7.298 15.037 ( -1.328 -7.257 0.607) 7.402 15.799 ( 4.988 4.958 -1.292) 7.150 15.920 ( -4.362 5.069 -2.820) 7.258 18.754 ( 0.001 -2.654 -4.290) 5.044 18.997 ( -0.045 2.167 -2.907) 3.626 22.288 ( 0.115 -2.288 1.372) 2.670 22.524 ( -0.083 1.503 -0.188) 1.517 24.363 ( 0.001 -1.290 0.620) 1.431 24.591 ( 0.002 2.943 0.743) 3.035 32.466 ( 0.066 -0.538 0.048) 0.544 32.533 ( -0.089 0.201 -0.865) 0.893 42.954 ( 1.967 -4.945 -9.415) 10.815 43.076 ( -1.947 -4.288 -10.342) 11.364 45.064 ( 0.103 -15.880 8.334) 17.934 46.528 ( -0.050 9.396 4.738) 10.523 ======================= Grid point 63 (27/128) ======================= q-point: ( 0.00 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.000 10.614 -6.804) 12.607 2.599 ( 0.000 -4.175 11.069) 11.831 2.718 ( 0.000 -3.861 8.594) 9.422 2.991 ( 0.000 2.202 7.586) 7.899 3.245 ( 0.000 1.171 -3.451) 3.645 3.333 ( 0.000 7.204 1.378) 7.335 3.528 ( 0.000 -0.329 0.646) 0.724 3.576 ( 0.000 -7.327 7.180) 10.259 3.768 ( 0.000 -2.247 4.113) 4.687 4.131 ( 0.000 -8.733 -6.380) 10.816 4.722 ( 0.000 2.227 3.944) 4.529 5.374 ( 0.000 5.446 6.137) 8.205 5.450 ( 0.000 5.675 2.902) 6.373 5.792 ( 0.000 3.969 6.531) 7.643 6.150 ( 0.000 -4.861 -7.159) 8.654 6.377 ( 0.000 0.022 3.149) 3.149 6.693 ( 0.000 -2.164 8.582) 8.851 6.901 ( 0.000 2.781 -1.277) 3.060 7.366 ( 0.000 -4.947 -2.721) 5.646 8.201 ( 0.000 -2.078 -7.940) 8.207 8.270 ( 0.000 3.211 -4.471) 5.504 8.721 ( 0.000 4.422 -0.434) 4.443 9.036 ( 0.000 3.237 1.783) 3.696 9.338 ( 0.000 3.625 -0.397) 3.646 10.124 ( 0.000 2.862 -5.214) 5.948 10.347 ( 0.000 2.197 -0.869) 2.363 11.113 ( 0.000 0.602 -6.943) 6.969 11.187 ( 0.000 -4.311 -3.190) 5.363 11.850 ( 0.000 -1.631 -7.184) 7.367 12.103 ( 0.000 3.583 -2.115) 4.161 13.183 ( 0.000 -4.733 5.091) 6.951 13.216 ( 0.000 -5.296 4.499) 6.950 14.883 ( 0.000 -4.572 0.452) 4.594 14.979 ( 0.000 -5.298 -0.910) 5.375 15.767 ( 0.000 4.342 -1.710) 4.667 15.952 ( 0.000 4.189 -3.736) 5.613 18.677 ( 0.000 -2.033 -1.768) 2.694 18.984 ( 0.000 1.757 -0.999) 2.021 22.283 ( 0.000 -1.467 0.381) 1.515 22.530 ( 0.000 1.173 -0.710) 1.371 24.361 ( 0.000 -1.271 0.664) 1.434 24.629 ( 0.000 1.928 0.736) 2.064 32.463 ( 0.000 -0.319 0.111) 0.338 32.522 ( 0.000 0.123 -0.570) 0.583 42.779 ( 0.000 -2.677 -5.006) 5.677 42.926 ( 0.000 -1.535 -5.200) 5.422 45.019 ( 0.000 -11.671 2.900) 12.026 46.657 ( 0.000 6.978 0.556) 7.000 ======================= Grid point 64 (28/128) ======================= q-point: ( 0.33 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -1.738 11.448 -6.634) 13.345 2.623 ( 1.052 -2.345 12.146) 12.415 2.725 ( 0.505 -6.501 6.129) 8.949 3.047 ( 4.606 3.477 8.023) 9.883 3.165 ( -4.932 2.929 4.876) 7.529 3.388 ( 1.343 3.851 -4.022) 5.728 3.552 ( 1.576 -2.731 4.729) 5.684 3.638 ( 5.273 -3.174 1.771) 6.405 3.759 ( 1.414 -3.257 1.557) 3.878 3.955 ( -12.378 -7.553 -3.588) 14.938 4.829 ( 5.910 1.355 2.561) 6.582 5.276 ( -5.146 3.350 4.021) 7.340 5.503 ( 2.160 5.456 5.279) 7.893 5.790 ( -0.118 5.861 5.198) 7.835 6.197 ( 2.770 -3.112 -4.719) 6.295 6.353 ( -1.374 -1.921 2.213) 3.236 6.620 ( -3.589 -3.249 7.242) 8.711 6.956 ( 2.418 2.733 -0.494) 3.683 7.466 ( 6.325 -3.621 -2.649) 7.755 7.996 ( -8.597 -0.187 -6.975) 11.073 8.429 ( 5.205 3.202 -3.268) 6.930 8.715 ( -0.409 4.347 -0.225) 4.372 9.059 ( 1.937 2.207 0.253) 2.947 9.262 ( -4.822 2.268 -1.835) 5.636 10.123 ( -0.186 2.588 -4.008) 4.774 10.346 ( 0.024 2.567 -2.239) 3.407 11.088 ( -1.160 -1.269 -2.914) 3.384 11.206 ( 0.827 -2.104 -6.109) 6.514 11.909 ( 3.870 -0.644 -6.857) 7.900 12.069 ( -2.493 2.761 -2.456) 4.458 13.187 ( 0.241 -4.922 5.007) 7.026 13.212 ( -0.263 -5.117 4.582) 6.873 14.886 ( 0.203 -5.005 0.640) 5.049 14.970 ( -0.535 -4.799 -0.969) 4.925 15.809 ( 2.972 4.164 -2.663) 5.767 15.916 ( -2.687 4.270 -2.937) 5.837 18.677 ( -0.005 -2.032 -1.765) 2.691 18.984 ( -0.013 1.758 -0.992) 2.019 22.284 ( 0.024 -1.480 0.346) 1.520 22.529 ( -0.021 1.182 -0.684) 1.366 24.361 ( 0.000 -1.271 0.664) 1.434 24.629 ( 0.002 1.929 0.736) 2.064 32.463 ( 0.016 -0.335 0.093) 0.348 32.522 ( -0.023 0.140 -0.546) 0.564 42.783 ( 0.228 -2.922 -5.406) 6.150 42.922 ( -0.218 -1.290 -4.806) 4.981 45.020 ( 0.027 -11.692 2.876) 12.041 46.656 ( -0.019 6.992 0.565) 7.015 ======================= Grid point 66 (29/128) ======================= q-point: ( 0.00 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.000 10.801 3.641) 11.398 2.660 ( 0.000 -7.616 2.986) 8.181 2.793 ( 0.000 -9.752 6.065) 11.484 3.092 ( 0.000 -1.084 -0.003) 1.084 3.211 ( 0.000 1.658 1.431) 2.190 3.352 ( 0.000 9.833 -7.081) 12.117 3.544 ( 0.000 2.809 0.316) 2.827 3.588 ( 0.000 -8.368 3.937) 9.248 3.819 ( 0.000 -13.402 2.729) 13.677 4.008 ( 0.000 -1.625 5.222) 5.469 4.771 ( 0.000 0.338 -0.122) 0.359 5.464 ( 0.000 1.973 -0.505) 2.037 5.500 ( 0.000 2.966 -2.161) 3.670 5.848 ( 0.000 0.751 -3.246) 3.332 6.063 ( 0.000 -0.327 0.370) 0.494 6.430 ( 0.000 -1.680 3.747) 4.106 6.739 ( 0.000 -5.505 1.026) 5.600 6.900 ( 0.000 2.909 -2.107) 3.592 7.303 ( 0.000 -2.324 -0.419) 2.362 8.105 ( 0.000 2.689 -2.972) 4.008 8.226 ( 0.000 5.189 -5.275) 7.400 8.739 ( 0.000 4.258 -2.880) 5.140 9.099 ( 0.000 0.169 3.010) 3.015 9.370 ( 0.000 3.861 -0.736) 3.930 10.134 ( 0.000 2.549 3.359) 4.216 10.373 ( 0.000 0.478 2.485) 2.530 11.046 ( 0.000 3.481 -3.483) 4.924 11.124 ( 0.000 -2.377 -0.142) 2.381 11.763 ( 0.000 2.279 -3.059) 3.814 12.115 ( 0.000 3.637 -0.817) 3.728 13.223 ( 0.000 -6.711 6.179) 9.122 13.243 ( 0.000 -6.921 5.724) 8.982 14.847 ( 0.000 -2.612 -0.164) 2.617 14.925 ( 0.000 -2.421 -0.636) 2.503 15.770 ( 0.000 4.030 -2.768) 4.889 15.937 ( 0.000 4.568 -3.014) 5.473 18.654 ( 0.000 -1.022 0.991) 1.423 18.998 ( 0.000 1.144 0.848) 1.424 22.270 ( 0.000 -0.800 -0.608) 1.005 22.529 ( 0.000 1.160 -0.692) 1.351 24.360 ( 0.000 -1.237 0.740) 1.442 24.655 ( 0.000 0.737 0.673) 0.998 32.462 ( 0.000 -0.248 0.139) 0.284 32.519 ( 0.000 0.261 -0.073) 0.271 42.711 ( 0.000 0.223 -1.174) 1.195 42.872 ( 0.000 1.074 -1.167) 1.586 44.925 ( 0.000 -7.324 -2.544) 7.753 46.692 ( 0.000 5.074 -3.511) 6.171 ======================= Grid point 67 (30/128) ======================= q-point: ( 0.33 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -1.132 12.005 3.550) 12.570 2.699 ( 2.699 -8.741 3.352) 9.743 2.765 ( -2.138 -8.901 5.449) 10.653 3.161 ( 4.210 0.622 -0.527) 4.288 3.212 ( -0.461 1.074 0.855) 1.448 3.361 ( 0.723 8.769 -5.086) 10.163 3.578 ( 3.466 -0.587 -1.264) 3.736 3.611 ( 1.329 -8.619 4.253) 9.703 3.780 ( -2.679 -9.079 1.018) 9.520 3.866 ( -8.816 -2.249 6.533) 11.200 4.864 ( 5.337 0.091 0.363) 5.350 5.328 ( -6.118 0.964 -0.208) 6.197 5.579 ( 2.685 2.170 -1.725) 3.859 5.846 ( -0.105 2.757 -3.842) 4.730 6.150 ( 5.598 -0.292 1.420) 5.783 6.367 ( -4.288 -2.249 2.017) 5.245 6.654 ( -3.867 -5.933 1.591) 7.259 6.958 ( 2.399 2.503 -2.538) 4.296 7.421 ( 7.141 -1.549 0.456) 7.321 7.925 ( -7.949 3.472 -2.667) 9.075 8.403 ( 7.430 4.339 -4.203) 9.576 8.736 ( -0.283 4.272 -2.668) 5.045 9.095 ( -0.047 1.303 1.652) 2.105 9.253 ( -6.858 2.958 -2.156) 7.774 10.152 ( 0.856 1.519 4.895) 5.196 10.358 ( -0.706 1.315 1.599) 2.187 11.058 ( 0.373 0.424 -0.749) 0.938 11.125 ( 0.247 0.447 -2.220) 2.278 11.832 ( 4.438 2.910 -2.985) 6.089 12.070 ( -3.127 3.174 -1.035) 4.574 13.226 ( 0.136 -6.863 6.232) 9.271 13.241 ( -0.112 -6.760 5.740) 8.869 14.851 ( 0.279 -3.008 0.207) 3.028 14.916 ( -0.554 -2.012 -1.046) 2.334 15.802 ( 2.164 4.289 -2.903) 5.613 15.909 ( -1.970 4.299 -2.871) 5.532 18.654 ( -0.001 -1.023 0.995) 1.428 18.998 ( -0.012 1.145 0.846) 1.423 22.270 ( 0.013 -0.799 -0.597) 0.998 22.529 ( -0.013 1.159 -0.701) 1.355 24.360 ( 0.000 -1.238 0.741) 1.442 24.655 ( 0.002 0.738 0.673) 0.999 32.462 ( 0.002 -0.251 0.135) 0.285 32.518 ( -0.006 0.263 -0.069) 0.272 42.712 ( 0.036 0.223 -1.193) 1.214 42.871 ( -0.028 1.075 -1.148) 1.573 44.925 ( 0.010 -7.326 -2.547) 7.756 46.692 ( -0.009 5.077 -3.508) 6.171 ======================= Grid point 69 (31/128) ======================= q-point: ( 0.00 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.000 5.131 13.284) 14.240 2.567 ( 0.000 -9.685 -2.767) 10.073 2.710 ( 0.000 -11.733 -0.759) 11.757 2.975 ( 0.000 -5.840 -7.339) 9.379 3.281 ( 0.000 1.989 0.672) 2.099 3.329 ( 0.000 3.236 -4.596) 5.621 3.558 ( 0.000 -2.955 -3.301) 4.431 3.561 ( 0.000 -9.228 3.799) 9.979 3.694 ( 0.000 0.185 0.165) 0.248 4.179 ( 0.000 -1.900 11.749) 11.902 4.727 ( 0.000 -2.249 -3.445) 4.114 5.394 ( 0.000 -3.111 -6.579) 7.278 5.442 ( 0.000 0.564 -6.428) 6.453 5.716 ( 0.000 -2.754 -9.677) 10.061 6.143 ( 0.000 3.246 6.422) 7.196 6.449 ( 0.000 -2.458 0.130) 2.461 6.623 ( 0.000 -7.539 -6.018) 9.646 6.875 ( 0.000 1.739 -4.103) 4.457 7.330 ( 0.000 2.272 4.764) 5.278 8.155 ( 0.000 6.511 2.777) 7.078 8.203 ( 0.000 7.382 -4.597) 8.697 8.712 ( 0.000 3.199 -4.245) 5.315 9.133 ( 0.000 -2.499 2.082) 3.253 9.373 ( 0.000 1.515 -2.447) 2.878 10.286 ( 0.000 2.534 10.656) 10.953 10.454 ( 0.000 -0.589 7.099) 7.124 11.065 ( 0.000 6.806 -0.140) 6.807 11.142 ( 0.000 1.977 2.786) 3.416 11.793 ( 0.000 6.294 1.420) 6.452 12.142 ( 0.000 2.347 0.138) 2.351 13.253 ( 0.000 -7.905 5.714) 9.753 13.268 ( 0.000 -7.555 5.595) 9.401 14.826 ( 0.000 -1.600 0.210) 1.614 14.915 ( 0.000 -0.424 1.229) 1.300 15.756 ( 0.000 3.950 -3.715) 5.422 15.943 ( 0.000 5.576 -2.271) 6.021 18.690 ( 0.000 0.201 3.636) 3.642 19.036 ( 0.000 0.500 2.508) 2.557 22.246 ( 0.000 -0.257 -1.566) 1.587 22.529 ( 0.000 1.183 -0.713) 1.382 24.361 ( 0.000 -1.196 0.822) 1.451 24.666 ( 0.000 -0.516 0.537) 0.745 32.462 ( 0.000 -0.245 0.154) 0.289 32.525 ( 0.000 0.482 0.344) 0.593 42.746 ( 0.000 3.827 2.837) 4.764 42.905 ( 0.000 3.869 2.295) 4.499 44.785 ( 0.000 -3.009 -7.549) 8.126 46.640 ( 0.000 3.407 -7.566) 8.298 ======================= Grid point 70 (32/128) ======================= q-point: ( 0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -0.556 7.181 12.961) 14.827 2.605 ( 2.844 -10.497 -2.348) 11.126 2.674 ( -2.744 -11.914 -1.955) 12.381 3.052 ( 5.719 -6.824 -6.155) 10.823 3.198 ( -5.089 -3.389 -3.418) 7.004 3.389 ( 2.197 5.674 -2.370) 6.530 3.542 ( -0.410 -4.980 -1.635) 5.257 3.554 ( -0.847 -0.599 -0.657) 1.229 3.762 ( 6.766 -1.948 4.387) 8.296 4.001 ( -11.885 -3.142 9.001) 15.236 4.848 ( 6.538 -1.788 -0.784) 6.823 5.291 ( -5.230 -2.038 -3.888) 6.828 5.487 ( 1.353 -2.119 -8.196) 8.573 5.737 ( 1.181 -0.609 -9.366) 9.460 6.218 ( 5.816 1.701 4.625) 7.623 6.369 ( -6.014 -1.661 0.295) 6.247 6.557 ( -3.227 -6.917 -4.517) 8.869 6.911 ( 1.726 1.629 -5.448) 5.943 7.466 ( 8.053 1.540 5.490) 9.867 7.971 ( -7.405 5.826 1.955) 9.623 8.383 ( 6.883 6.144 -3.846) 9.996 8.712 ( -0.081 3.259 -4.187) 5.307 9.129 ( 0.059 -0.903 1.551) 1.796 9.248 ( -7.501 3.049 -2.141) 8.375 10.310 ( 1.402 0.640 11.474) 11.577 10.435 ( -1.139 0.810 6.190) 6.346 11.067 ( -0.078 2.350 0.640) 2.437 11.148 ( 0.523 5.228 1.959) 5.608 11.868 ( 4.908 6.297 1.457) 8.116 12.094 ( -3.460 2.617 0.194) 4.342 13.254 ( 0.066 -7.923 5.626) 9.717 13.268 ( -0.005 -7.588 5.700) 9.491 14.835 ( 0.586 -1.907 0.828) 2.160 14.899 ( -0.972 -0.158 0.420) 1.070 15.797 ( 3.003 4.664 -3.046) 6.328 15.907 ( -2.721 4.936 -2.778) 6.284 18.690 ( -0.001 0.194 3.635) 3.640 19.035 ( -0.014 0.499 2.505) 2.554 22.246 ( 0.040 -0.249 -1.525) 1.546 22.529 ( -0.035 1.180 -0.746) 1.396 24.361 ( 0.001 -1.196 0.823) 1.452 24.666 ( 0.002 -0.515 0.538) 0.745 32.462 ( -0.001 -0.238 0.151) 0.282 32.525 ( -0.007 0.472 0.341) 0.582 42.748 ( 0.103 3.972 2.965) 4.957 42.904 ( -0.089 3.730 2.178) 4.320 44.785 ( 0.014 -2.997 -7.541) 8.115 46.640 ( -0.009 3.403 -7.566) 8.296 ======================= Grid point 72 (33/128) ======================= q-point: ( 0.00 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.000 -11.628 -4.794) 12.577 2.400 ( 0.000 -20.521 -3.783) 20.866 2.736 ( 0.000 -7.829 -12.218) 14.511 2.841 ( 0.000 7.738 12.664) 14.841 3.230 ( 0.000 -8.049 -3.661) 8.843 3.234 ( 0.000 -1.352 -6.212) 6.357 3.411 ( 0.000 -6.085 -2.808) 6.702 3.519 ( 0.000 -10.695 2.003) 10.880 3.844 ( 0.000 14.446 4.247) 15.058 4.288 ( 0.000 -5.351 2.464) 5.891 4.618 ( 0.000 -4.952 -5.057) 7.078 5.212 ( 0.000 -6.707 -6.580) 9.396 5.298 ( 0.000 -2.070 -9.037) 9.271 5.494 ( 0.000 -4.663 -10.892) 11.848 6.325 ( 0.000 6.346 8.378) 10.510 6.328 ( 0.000 -3.444 -12.559) 13.022 6.447 ( 0.000 -6.910 -3.217) 7.622 6.799 ( 0.000 0.902 -5.283) 5.359 7.525 ( 0.000 6.994 11.734) 13.660 8.223 ( 0.000 8.535 -2.464) 8.884 8.303 ( 0.000 7.707 4.884) 9.124 8.677 ( 0.000 2.223 -2.382) 3.258 9.115 ( 0.000 -2.484 -1.256) 2.784 9.324 ( 0.000 -2.249 -1.980) 2.996 10.523 ( 0.000 2.005 13.415) 13.564 10.605 ( 0.000 -1.088 11.451) 11.503 11.195 ( 0.000 11.286 4.841) 12.281 11.265 ( 0.000 7.161 5.821) 9.228 11.936 ( 0.000 9.633 5.631) 11.158 12.158 ( 0.000 0.142 0.159) 0.213 13.258 ( 0.000 -7.321 3.930) 8.309 13.280 ( 0.000 -6.638 4.124) 7.815 14.812 ( 0.000 -2.619 0.220) 2.628 14.962 ( 0.000 -0.153 4.734) 4.736 15.717 ( 0.000 3.311 -5.349) 6.291 15.968 ( 0.000 6.298 -2.176) 6.663 18.781 ( 0.000 1.414 5.818) 5.987 19.094 ( 0.000 -0.001 3.865) 3.865 22.210 ( 0.000 0.192 -2.451) 2.458 22.524 ( 0.000 0.955 -1.282) 1.598 24.364 ( 0.000 -1.184 0.896) 1.484 24.662 ( 0.000 -1.708 0.321) 1.738 32.462 ( 0.000 -0.277 0.120) 0.302 32.539 ( 0.000 0.706 0.502) 0.866 42.881 ( 0.000 6.728 5.978) 9.000 43.047 ( 0.000 8.943 7.442) 11.634 44.607 ( 0.000 0.878 -11.751) 11.784 46.500 ( 0.000 1.768 -11.819) 11.951 ======================= Grid point 73 (34/128) ======================= q-point: ( 0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.595 -15.466 -6.639) 16.841 2.416 ( 0.694 -17.628 -2.249) 17.784 2.688 ( -1.979 2.025 -5.578) 6.255 2.918 ( 4.858 -2.419 1.546) 5.643 3.058 ( -6.687 -9.034 0.625) 11.257 3.335 ( 0.895 -3.821 -4.256) 5.789 3.434 ( 1.398 -4.624 -2.481) 5.431 3.600 ( 6.081 0.177 0.376) 6.095 3.850 ( 1.831 7.511 2.985) 8.287 4.054 ( -13.223 -5.543 1.236) 14.391 4.804 ( 9.144 -4.525 -1.718) 10.346 5.120 ( -5.179 -7.693 -10.307) 13.865 5.320 ( 0.142 -2.683 -6.414) 6.954 5.538 ( 2.554 -3.001 -10.420) 11.140 6.248 ( -2.560 -0.986 -5.329) 5.994 6.337 ( -1.694 -5.108 -4.292) 6.883 6.454 ( 1.105 2.478 3.330) 4.295 6.816 ( 0.813 1.402 -6.487) 6.686 7.646 ( 7.445 4.897 10.947) 14.115 8.088 ( -6.453 7.218 3.481) 10.289 8.406 ( 4.039 7.080 -1.083) 8.222 8.673 ( -0.298 1.992 -3.035) 3.643 9.122 ( 0.881 -2.234 -0.639) 2.485 9.240 ( -5.238 1.391 -1.143) 5.539 10.538 ( 1.175 0.702 13.796) 13.864 10.587 ( -1.365 0.292 10.731) 10.822 11.150 ( -1.787 7.082 3.797) 8.232 11.306 ( 1.585 10.122 7.046) 12.434 11.997 ( 4.154 8.067 4.613) 10.179 12.124 ( -2.759 1.414 0.805) 3.204 13.257 ( -0.038 -6.923 3.573) 7.790 13.280 ( 0.045 -7.079 4.420) 8.345 14.836 ( 1.817 -2.502 1.632) 3.496 14.925 ( -2.507 -0.396 2.883) 3.841 15.784 ( 5.137 4.352 -4.111) 7.889 15.913 ( -4.510 5.502 -2.911) 7.687 18.781 ( -0.015 1.399 5.798) 5.964 19.093 ( -0.023 -0.020 3.856) 3.856 22.212 ( 0.097 0.222 -2.394) 2.407 22.523 ( -0.070 0.949 -1.309) 1.619 24.364 ( 0.001 -1.184 0.897) 1.486 24.663 ( 0.004 -1.707 0.322) 1.737 32.462 ( 0.009 -0.238 0.122) 0.267 32.538 ( -0.035 0.652 0.475) 0.807 42.896 ( 0.940 7.946 7.032) 10.652 43.032 ( -0.897 7.744 6.438) 10.110 44.607 ( 0.045 0.932 -11.722) 11.759 46.499 ( -0.009 1.761 -11.808) 11.939 ======================= Grid point 75 (35/128) ======================= q-point: ( 0.00 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.000 -22.657 -7.220) 23.779 2.177 ( 0.000 -13.433 -4.680) 14.225 2.403 ( 0.000 -9.242 -15.923) 18.410 2.922 ( 0.000 -3.152 -6.939) 7.621 3.052 ( 0.000 -5.617 -10.725) 12.107 3.092 ( 0.000 -12.281 -0.544) 12.293 3.394 ( 0.000 -11.881 -2.603) 12.162 3.491 ( 0.000 5.757 11.559) 12.913 4.028 ( 0.000 -5.376 -3.564) 6.450 4.136 ( 0.000 6.398 -4.806) 8.003 4.428 ( 0.000 -9.453 -9.211) 13.199 5.051 ( 0.000 -9.738 -6.311) 11.604 5.104 ( 0.000 -4.682 -9.095) 10.230 5.317 ( 0.000 -1.846 -1.594) 2.439 6.013 ( 0.000 -4.895 -17.412) 18.087 6.337 ( 0.000 -3.488 -3.886) 5.222 6.548 ( 0.000 9.798 7.765) 12.502 6.746 ( 0.000 2.571 -2.348) 3.482 7.837 ( 0.000 9.182 13.439) 16.276 8.292 ( 0.000 8.625 0.439) 8.636 8.444 ( 0.000 6.150 2.623) 6.686 8.699 ( 0.000 2.134 2.691) 3.434 9.039 ( 0.000 -2.256 -4.531) 5.062 9.294 ( 0.000 -4.182 3.264) 5.305 10.781 ( 0.000 2.434 14.015) 14.225 10.830 ( 0.000 0.529 15.011) 15.020 11.456 ( 0.000 15.735 8.759) 18.008 11.469 ( 0.000 10.735 6.556) 12.579 12.152 ( 0.000 -2.279 0.652) 2.371 12.179 ( 0.000 12.144 9.463) 15.396 13.246 ( 0.000 -4.953 2.238) 5.436 13.273 ( 0.000 -4.577 1.634) 4.860 14.766 ( 0.000 -5.758 -1.006) 5.845 15.077 ( 0.000 -1.260 9.455) 9.539 15.623 ( 0.000 1.120 -8.691) 8.762 15.986 ( 0.000 5.963 -3.207) 6.771 18.914 ( 0.000 2.362 7.166) 7.545 19.167 ( 0.000 -0.192 4.706) 4.709 22.166 ( 0.000 0.560 -2.998) 3.050 22.498 ( 0.000 0.278 -2.668) 2.682 24.368 ( 0.000 -1.246 0.984) 1.588 24.643 ( 0.000 -2.713 0.033) 2.713 32.461 ( 0.000 -0.279 0.032) 0.281 32.555 ( 0.000 0.874 0.326) 0.933 43.073 ( 0.000 8.177 7.457) 11.066 43.375 ( 0.000 17.508 15.474) 23.366 44.401 ( 0.000 3.834 -14.719) 15.210 46.265 ( 0.000 0.140 -16.562) 16.563 ======================= Grid point 76 (36/128) ======================= q-point: ( 0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.778 -18.590 -8.381) 20.406 2.177 ( -0.507 -17.345 -4.404) 17.903 2.421 ( 1.765 -8.741 -15.137) 17.568 2.732 ( -7.320 -9.332 -10.975) 16.159 3.130 ( 4.009 -8.291 1.418) 9.318 3.195 ( 0.769 -5.138 -5.718) 7.726 3.484 ( 2.104 1.837 6.852) 7.400 3.503 ( 7.983 -6.018 -1.603) 10.125 3.870 ( -13.131 -8.972 -7.658) 17.651 4.060 ( -0.457 10.980 3.489) 11.531 4.607 ( 10.216 -10.708 -12.487) 19.364 4.835 ( -10.685 -11.133 -11.849) 19.455 5.218 ( 2.453 -2.443 -2.675) 4.375 5.382 ( 3.736 -2.176 -2.721) 5.108 6.035 ( 2.718 -3.708 -14.275) 14.997 6.191 ( -8.443 -4.750 -5.971) 11.380 6.625 ( 3.321 8.334 6.975) 11.364 6.752 ( 0.187 3.724 -2.971) 4.768 7.911 ( 4.596 6.941 11.586) 14.266 8.233 ( -3.571 8.822 4.070) 10.351 8.489 ( 2.562 6.722 2.118) 7.499 8.663 ( -2.326 1.449 0.221) 2.749 9.057 ( 1.145 -4.605 -2.723) 5.471 9.258 ( -2.070 0.430 2.926) 3.610 10.788 ( 0.477 1.954 13.703) 13.850 10.822 ( -0.576 1.084 15.688) 15.735 11.341 ( -3.325 12.650 6.222) 14.484 11.576 ( 2.939 13.339 9.452) 16.611 12.142 ( -0.300 0.810 2.310) 2.467 12.194 ( 0.621 8.180 6.641) 10.555 13.241 ( -0.240 -4.186 1.297) 4.389 13.275 ( 0.125 -5.395 2.366) 5.892 14.829 ( 5.150 -4.809 1.559) 7.216 14.985 ( -6.483 -2.408 5.501) 8.837 15.734 ( 8.127 2.773 -6.095) 10.531 15.910 ( -6.491 5.014 -3.923) 9.092 18.913 ( -0.059 2.350 7.109) 7.487 19.166 ( -0.068 -0.284 4.671) 4.680 22.170 ( 0.175 0.647 -2.962) 3.037 22.497 ( -0.069 0.286 -2.622) 2.639 24.368 ( 0.002 -1.247 0.985) 1.589 24.643 ( 0.003 -2.716 0.027) 2.716 32.461 ( 0.055 -0.189 0.045) 0.202 32.552 ( -0.139 0.728 0.241) 0.779 43.143 ( 5.253 11.058 10.044) 15.835 43.309 ( -5.084 14.661 13.098) 20.306 44.404 ( 0.172 4.091 -14.610) 15.173 46.266 ( 0.032 0.164 -16.459) 16.460 ======================= Grid point 78 (37/128) ======================= q-point: ( 0.00 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.000 -23.399 -8.788) 24.995 1.955 ( 0.000 -16.787 -5.538) 17.677 2.017 ( 0.000 -9.181 -15.137) 17.704 2.723 ( 0.000 -8.019 -7.382) 10.900 2.749 ( 0.000 -11.042 -14.266) 18.040 2.932 ( 0.000 -10.351 -4.407) 11.250 3.220 ( 0.000 -9.877 -3.987) 10.651 3.401 ( 0.000 -15.830 -23.471) 28.310 3.959 ( 0.000 -0.083 16.310) 16.311 4.101 ( 0.000 -14.436 -14.118) 20.192 4.311 ( 0.000 15.997 0.679) 16.011 4.755 ( 0.000 -13.953 -11.637) 18.169 4.891 ( 0.000 -7.372 -8.506) 11.256 5.372 ( 0.000 -1.095 3.353) 3.528 5.678 ( 0.000 -2.632 -13.382) 13.638 6.250 ( 0.000 0.011 -3.875) 3.875 6.754 ( 0.000 6.698 0.995) 6.772 6.813 ( 0.000 11.352 7.223) 13.455 8.123 ( 0.000 8.320 7.961) 11.515 8.415 ( 0.000 10.212 2.434) 10.498 8.529 ( 0.000 3.185 2.442) 4.013 8.794 ( 0.000 2.126 4.875) 5.319 8.928 ( 0.000 -5.491 -3.150) 6.330 9.382 ( 0.000 -1.759 10.944) 11.085 11.059 ( 0.000 4.274 13.732) 14.381 11.122 ( 0.000 4.137 15.052) 15.610 11.690 ( 0.000 10.663 6.212) 12.341 11.797 ( 0.000 19.493 9.846) 21.838 12.150 ( 0.000 -3.177 3.027) 4.388 12.498 ( 0.000 13.506 11.700) 17.869 13.241 ( 0.000 -2.172 -1.336) 2.550 13.248 ( 0.000 -1.525 2.366) 2.815 14.649 ( 0.000 -10.228 -3.257) 10.734 15.268 ( 0.000 -2.358 14.884) 15.070 15.418 ( 0.000 -3.504 -14.389) 14.810 15.971 ( 0.000 4.710 -4.963) 6.842 19.068 ( 0.000 2.810 7.410) 7.925 19.249 ( 0.000 0.096 4.695) 4.696 22.122 ( 0.000 0.796 -2.802) 2.913 22.433 ( 0.000 -0.792 -4.590) 4.658 24.372 ( 0.000 -1.431 1.163) 1.844 24.609 ( 0.000 -3.406 -0.310) 3.421 32.458 ( 0.000 -0.143 -0.044) 0.150 32.566 ( 0.000 0.976 -0.131) 0.984 43.303 ( 0.000 9.731 8.431) 12.875 43.945 ( 0.000 27.670 23.897) 36.561 44.182 ( 0.000 5.173 -15.744) 16.572 45.927 ( 0.000 -1.061 -22.163) 22.189 ======================= Grid point 79 (38/128) ======================= q-point: ( 0.33 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 2.938 -19.466 -8.828) 21.575 1.922 ( -4.010 -17.084 -4.519) 18.121 2.041 ( 3.254 -12.007 -16.180) 20.410 2.414 ( -9.419 -13.099 -12.526) 20.425 2.970 ( 3.559 -8.584 -6.597) 11.396 3.038 ( 3.940 -7.964 -5.545) 10.474 3.258 ( 5.764 -11.990 -8.635) 15.860 3.408 ( -0.603 -12.944 -17.837) 22.047 3.875 ( -4.035 2.442 9.604) 10.700 4.145 ( 2.923 -8.615 -5.200) 10.479 4.321 ( -0.628 1.619 -4.639) 4.953 4.468 ( -10.426 -10.333 -14.294) 20.489 5.156 ( 9.228 -2.659 -1.787) 9.768 5.392 ( 0.255 -0.701 3.707) 3.781 5.724 ( 7.011 -4.813 -15.785) 17.930 6.026 ( -15.280 -4.634 -7.758) 17.752 6.796 ( 1.749 9.041 1.378) 9.311 6.851 ( 1.828 11.143 7.060) 13.317 8.148 ( 1.324 6.876 7.121) 9.987 8.417 ( 0.251 9.548 5.922) 11.238 8.590 ( 5.016 4.583 2.030) 7.091 8.719 ( -5.676 3.457 3.056) 7.315 8.956 ( 1.460 -6.364 -0.864) 6.586 9.369 ( -0.735 -0.385 10.120) 10.154 11.066 ( 0.486 3.582 14.939) 15.370 11.120 ( -0.150 4.362 14.583) 15.222 11.597 ( -3.575 14.763 6.577) 16.552 11.867 ( 2.195 13.073 7.670) 15.315 12.208 ( 4.174 1.538 5.775) 7.289 12.429 ( -4.647 9.826 9.203) 14.242 13.219 ( -0.943 -1.247 -0.724) 1.723 13.254 ( 0.152 -3.290 0.529) 3.336 14.781 ( 10.384 -8.014 0.073) 13.117 15.045 ( -12.430 -5.203 4.302) 14.145 15.640 ( 12.068 0.245 -5.314) 13.189 15.874 ( -8.210 3.499 -4.988) 10.224 19.065 ( -0.147 2.849 7.256) 7.797 19.245 ( -0.212 -0.205 4.638) 4.647 22.127 ( 0.253 0.980 -2.824) 3.000 22.434 ( 0.059 -0.714 -4.401) 4.459 24.372 ( -0.001 -1.433 1.159) 1.843 24.609 ( -0.028 -3.439 -0.369) 3.459 32.460 ( 0.127 -0.040 -0.045) 0.141 32.559 ( -0.384 0.698 -0.315) 0.856 43.469 ( 13.116 14.301 12.790) 23.241 43.786 ( -12.531 22.116 19.630) 32.116 44.199 ( 0.673 7.157 -14.787) 16.442 45.935 ( 0.417 -0.654 -21.420) 21.434 ======================= Grid point 81 (39/128) ======================= q-point: ( 0.00 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 -22.930 -10.676) 25.293 1.535 ( 0.000 -17.948 -17.628) 25.157 1.812 ( 0.000 -12.121 -1.036) 12.165 2.360 ( 0.000 -14.825 -14.541) 20.766 2.432 ( 0.000 -22.141 -17.301) 28.099 2.713 ( 0.000 -11.320 -5.803) 12.720 2.882 ( 0.000 -10.485 -10.516) 14.850 3.070 ( 0.000 -6.904 -3.274) 7.641 3.679 ( 0.000 -17.423 -14.850) 22.893 4.207 ( 0.000 0.913 3.287) 3.411 4.373 ( 0.000 -3.853 -2.769) 4.745 4.504 ( 0.000 5.824 -4.512) 7.367 4.669 ( 0.000 -8.611 -7.214) 11.234 5.193 ( 0.000 -8.076 -12.626) 14.988 5.683 ( 0.000 4.908 6.796) 8.383 6.208 ( 0.000 2.525 -2.565) 3.599 6.817 ( 0.000 3.931 0.813) 4.015 7.113 ( 0.000 18.018 8.836) 20.068 8.272 ( 0.000 6.293 1.524) 6.475 8.539 ( 0.000 9.199 -1.793) 9.372 8.606 ( 0.000 0.961 4.014) 4.128 8.861 ( 0.000 -5.167 3.299) 6.130 8.896 ( 0.000 0.649 5.476) 5.514 9.627 ( 0.000 0.516 17.157) 17.165 11.302 ( 0.000 7.497 6.189) 9.721 11.377 ( 0.000 8.939 5.192) 10.338 11.902 ( 0.000 -0.110 11.652) 11.653 12.201 ( 0.000 20.560 13.518) 24.606 12.225 ( 0.000 4.393 6.473) 7.823 12.813 ( 0.000 11.222 8.423) 14.032 13.184 ( 0.000 0.104 -3.904) 3.905 13.324 ( 0.000 4.038 5.952) 7.193 14.444 ( 0.000 -15.086 -5.533) 16.069 15.042 ( 0.000 -10.479 -20.761) 23.256 15.526 ( 0.000 -4.040 16.744) 17.225 15.935 ( 0.000 5.796 -3.030) 6.540 19.218 ( 0.000 2.677 6.541) 7.067 19.326 ( 0.000 0.971 3.408) 3.544 22.091 ( 0.000 0.729 -1.613) 1.770 22.327 ( 0.000 -1.762 -5.995) 6.249 24.379 ( 0.000 -1.806 1.566) 2.390 24.564 ( 0.000 -3.639 -0.664) 3.699 32.458 ( 0.000 0.222 0.056) 0.229 32.569 ( 0.000 1.046 -0.790) 1.311 43.551 ( 0.000 10.516 7.850) 13.123 43.975 ( 0.000 3.760 -13.103) 13.632 44.749 ( 0.000 38.219 29.249) 48.126 45.476 ( 0.000 -0.601 -29.289) 29.295 ======================= Grid point 82 (40/128) ======================= q-point: ( 0.33 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 7.435 -18.969 -8.733) 22.167 1.620 ( 4.796 -17.390 -12.983) 22.226 1.696 ( -7.718 -14.152 -4.702) 16.791 2.042 ( -12.271 -16.078 -12.741) 23.904 2.687 ( 11.083 -19.731 -15.801) 27.601 2.826 ( 1.498 -9.830 -6.887) 12.096 2.939 ( 5.920 -10.241 -8.596) 14.623 3.075 ( -0.078 -8.221 -6.014) 10.186 3.661 ( -0.074 -16.633 -15.079) 22.451 3.884 ( -17.818 -17.101 -15.651) 29.238 4.314 ( -0.496 -1.305 10.592) 10.684 4.440 ( -0.737 15.068 -4.483) 15.738 5.103 ( 18.850 -2.762 -1.196) 19.089 5.342 ( 13.870 -6.712 -10.863) 18.853 5.526 ( -11.330 -0.780 1.688) 11.482 5.828 ( -23.492 -6.061 -8.515) 25.712 6.967 ( 6.280 13.654 5.063) 15.858 7.121 ( -0.214 16.341 7.897) 18.150 8.299 ( 1.206 5.838 3.283) 6.805 8.586 ( 2.493 6.499 2.997) 7.578 8.638 ( 2.993 1.757 -0.735) 3.548 8.738 ( -5.393 -2.121 -1.449) 5.974 9.042 ( 5.873 3.342 13.604) 15.190 9.592 ( -2.212 -0.657 15.624) 15.793 11.327 ( 2.055 7.639 6.391) 10.170 11.370 ( -1.128 8.453 5.974) 10.412 11.860 ( -2.226 8.040 10.194) 13.172 12.090 ( -2.926 3.484 9.177) 10.243 12.415 ( 9.317 11.918 10.119) 18.200 12.693 ( -8.965 10.085 8.749) 16.082 13.182 ( -0.471 0.216 -3.075) 3.119 13.236 ( -3.291 -1.036 -0.179) 3.455 14.654 ( 13.751 -11.258 -4.030) 18.222 14.923 ( -9.421 -10.833 -11.010) 18.092 15.649 ( 8.992 0.124 7.520) 11.722 15.847 ( -7.353 4.664 -0.414) 8.717 19.212 ( -0.358 2.819 6.142) 6.767 19.316 ( -0.468 0.239 3.479) 3.519 22.098 ( 0.348 1.094 -1.638) 2.000 22.333 ( 0.365 -1.551 -5.726) 5.944 24.379 ( -0.013 -1.814 1.547) 2.384 24.560 ( -0.220 -3.830 -0.979) 3.959 32.460 ( 0.153 0.242 0.011) 0.286 32.554 ( -0.796 0.597 -1.078) 1.467 43.847 ( 18.098 11.531 10.567) 23.920 43.996 ( 5.003 9.270 -7.756) 13.081 44.490 ( -19.624 32.547 21.659) 43.744 45.545 ( 3.283 4.295 -23.121) 23.744 ======================= Grid point 84 (41/128) ======================= q-point: ( 0.00 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 -21.498 -13.217) 25.236 1.024 ( 0.000 -23.016 -16.448) 28.289 1.704 ( 0.000 -12.098 2.766) 12.411 1.725 ( 0.000 -41.588 -19.364) 45.875 1.971 ( 0.000 -15.953 -11.773) 19.827 2.621 ( 0.000 -3.304 0.973) 3.444 2.726 ( 0.000 -5.682 -1.523) 5.883 2.969 ( 0.000 -4.304 -1.847) 4.684 3.277 ( 0.000 -17.305 -9.902) 19.937 3.990 ( 0.000 -13.381 -8.192) 15.689 4.429 ( 0.000 4.036 0.413) 4.057 4.487 ( 0.000 -7.382 -3.995) 8.394 4.508 ( 0.000 10.883 -8.283) 13.677 4.948 ( 0.000 -7.677 -4.761) 9.034 5.863 ( 0.000 6.078 6.387) 8.816 6.202 ( 0.000 2.373 -1.446) 2.779 6.860 ( 0.000 2.272 0.454) 2.317 7.464 ( 0.000 21.436 7.545) 22.725 8.326 ( 0.000 4.294 -1.222) 4.465 8.540 ( 0.000 3.277 -3.177) 4.564 8.676 ( 0.000 -0.155 3.206) 3.210 8.925 ( 0.000 -0.017 4.957) 4.957 9.014 ( 0.000 -1.362 9.327) 9.426 9.929 ( 0.000 1.621 14.684) 14.773 11.394 ( 0.000 10.987 -6.634) 12.834 11.480 ( 0.000 10.048 -3.120) 10.521 12.030 ( 0.000 -11.322 9.210) 14.595 12.502 ( 0.000 15.381 12.535) 19.841 12.656 ( 0.000 16.151 15.773) 22.575 12.984 ( 0.000 5.309 2.027) 5.683 13.112 ( 0.000 1.508 -5.471) 5.675 13.536 ( 0.000 10.875 8.081) 13.549 14.161 ( 0.000 -19.465 -6.293) 20.457 14.529 ( 0.000 -17.008 -19.840) 26.132 15.631 ( 0.000 -8.424 4.140) 9.386 16.116 ( 0.000 12.867 11.186) 17.049 19.339 ( 0.000 2.049 4.210) 4.682 19.379 ( 0.000 2.156 0.873) 2.326 22.083 ( 0.000 -0.011 0.169) 0.170 22.206 ( 0.000 -1.656 -5.271) 5.525 24.390 ( 0.000 -2.424 2.149) 3.240 24.517 ( 0.000 -3.007 -0.637) 3.073 32.467 ( 0.000 0.726 0.492) 0.877 32.558 ( 0.000 1.014 -1.689) 1.970 43.769 ( 0.000 9.726 4.940) 10.908 43.840 ( 0.000 -2.033 -1.960) 2.823 44.896 ( 0.000 2.509 -39.518) 39.597 45.656 ( 0.000 44.454 23.641) 50.349 ======================= Grid point 85 (42/128) ======================= q-point: ( 0.33 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 16.351 -16.473 -7.677) 24.447 1.235 ( 13.477 -22.337 -7.184) 27.058 1.506 ( -14.747 -11.226 -2.485) 18.700 1.678 ( -15.057 -17.590 -8.564) 24.688 2.135 ( 26.491 -27.584 -14.786) 41.003 2.643 ( -6.818 -7.602 -3.541) 10.808 2.796 ( 4.723 -5.666 -0.777) 7.417 2.944 ( -2.189 -4.808 -2.285) 5.756 3.250 ( -1.657 -17.977 -10.366) 20.818 3.424 ( -23.770 -21.088 -12.768) 34.245 4.431 ( 0.294 3.601 0.041) 3.613 4.475 ( -0.489 11.941 -7.671) 14.201 5.028 ( 14.323 -8.701 -2.652) 16.968 5.126 ( 26.999 -3.203 -3.484) 27.411 5.474 ( -27.715 -15.033 -4.226) 31.811 5.705 ( -21.563 2.342 0.096) 21.690 7.248 ( 13.497 20.484 7.165) 25.556 7.448 ( -2.498 21.325 7.017) 22.589 8.387 ( 3.659 3.656 1.161) 5.301 8.574 ( -0.057 0.098 -4.255) 4.256 8.670 ( 0.913 0.320 2.252) 2.451 8.737 ( -5.241 0.554 1.076) 5.379 9.393 ( 16.547 7.502 19.182) 26.421 9.861 ( -5.358 2.165 13.371) 14.566 11.412 ( 1.277 11.409 -6.454) 13.170 11.483 ( -0.050 9.989 -4.058) 10.782 12.054 ( 3.098 -7.956 9.922) 13.090 12.289 ( -13.074 0.003 10.968) 17.065 12.751 ( 5.744 13.766 11.734) 18.978 12.911 ( -6.190 6.991 6.040) 11.121 13.120 ( 0.268 1.065 -4.878) 5.000 13.204 ( -9.631 -1.042 -3.374) 10.258 14.391 ( 8.233 -15.775 -10.102) 20.462 14.501 ( -2.483 -17.630 -17.294) 24.820 15.844 ( 12.581 7.429 11.505) 18.597 16.054 ( -5.639 12.995 12.089) 18.623 19.327 ( -0.796 2.347 3.821) 4.554 19.364 ( -0.520 0.811 1.328) 1.641 22.097 ( 0.635 0.848 0.535) 1.188 22.218 ( 0.604 -1.405 -5.366) 5.580 24.390 ( -0.035 -2.491 2.219) 3.336 24.495 ( -1.000 -3.952 -1.962) 4.524 32.469 ( 0.114 0.604 0.564) 0.834 32.533 ( -1.193 0.364 -1.905) 2.277 43.838 ( 0.024 -2.290 -1.335) 2.651 44.167 ( 16.663 4.352 -4.007) 17.682 45.032 ( 10.685 32.863 1.827) 34.605 45.586 ( -5.384 41.513 9.788) 42.990 ======================= Grid point 87 (43/128) ======================= q-point: ( 0.00 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 0.000 -23.061 0.000) 23.061 0.580 ( 0.000 -28.045 0.000) 28.045 1.055 ( 0.000 -50.833 0.000) 50.833 1.637 ( 0.000 -17.130 0.000) 17.130 1.684 ( 0.000 -6.498 0.000) 6.498 2.616 ( 0.000 -0.982 0.000) 0.982 2.675 ( 0.000 -3.523 0.000) 3.523 2.919 ( 0.000 -2.497 0.000) 2.497 3.026 ( 0.000 -13.333 0.000) 13.333 3.782 ( 0.000 -11.376 0.000) 11.376 4.389 ( 0.000 -4.920 0.000) 4.920 4.438 ( 0.000 3.134 -0.000) 3.134 4.484 ( 0.000 5.065 -0.000) 5.065 4.857 ( 0.000 -4.533 0.000) 4.533 5.996 ( 0.000 6.679 -0.000) 6.679 6.197 ( 0.000 -0.112 0.000) 0.112 6.880 ( 0.000 0.961 -0.000) 0.961 7.757 ( 0.000 20.017 -0.000) 20.017 8.342 ( 0.000 2.997 -0.000) 2.997 8.537 ( 0.000 1.363 -0.000) 1.363 8.703 ( 0.000 -0.257 0.000) 0.257 8.975 ( 0.000 0.196 -0.000) 0.196 9.155 ( 0.000 1.673 -0.000) 1.673 10.088 ( 0.000 0.961 -0.000) 0.961 11.363 ( 0.000 6.524 -0.000) 6.524 11.530 ( 0.000 7.280 -0.000) 7.280 11.998 ( 0.000 -10.317 0.000) 10.317 12.852 ( 0.000 19.316 -0.000) 19.316 12.995 ( 0.000 -1.012 0.000) 1.012 13.003 ( 0.000 14.431 -0.000) 14.431 13.037 ( 0.000 0.332 -0.000) 0.332 13.738 ( 0.000 10.765 -0.000) 10.765 13.874 ( 0.000 -21.775 0.000) 21.775 14.152 ( 0.000 -16.380 0.000) 16.380 15.631 ( 0.000 -3.480 0.000) 3.480 16.385 ( 0.000 13.624 -0.000) 13.624 19.383 ( 0.000 1.430 -0.000) 1.430 19.410 ( 0.000 1.497 -0.000) 1.497 22.082 ( 0.000 -1.283 0.000) 1.283 22.144 ( 0.000 -0.167 0.000) 0.167 24.389 ( 0.000 -2.564 0.000) 2.564 24.496 ( 0.000 -0.818 0.000) 0.818 32.487 ( 0.000 1.162 -0.000) 1.162 32.537 ( 0.000 -0.009 0.000) 0.009 43.884 ( 0.000 -7.982 0.000) 7.982 43.902 ( 0.000 7.224 -0.000) 7.224 44.298 ( 0.000 -2.623 0.000) 2.623 46.320 ( 0.000 38.364 -0.000) 38.364 ======================= Grid point 88 (44/128) ======================= q-point: ( 0.33 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 24.749 -12.453 0.000) 27.705 0.938 ( 19.566 -22.760 0.000) 30.014 1.388 ( -10.894 -7.393 0.000) 13.166 1.422 ( -16.609 -15.381 0.000) 22.637 1.715 ( 38.055 -25.377 0.000) 45.740 2.576 ( -16.578 -0.376 0.000) 16.582 2.755 ( 5.649 -3.619 0.000) 6.709 2.886 ( -3.885 -2.940 0.000) 4.872 2.984 ( -3.743 -14.341 0.000) 14.822 3.076 ( -25.744 -21.050 0.000) 33.254 4.443 ( 0.464 3.447 -0.000) 3.478 4.455 ( -0.412 4.269 -0.000) 4.289 4.904 ( 5.732 -8.895 0.000) 10.582 5.096 ( 34.142 -0.739 0.000) 34.150 5.198 ( -24.433 -25.050 0.000) 34.992 5.759 ( -22.311 3.959 -0.000) 22.660 7.587 ( 15.334 28.217 -0.000) 32.114 7.748 ( -2.230 22.088 -0.000) 22.201 8.415 ( 5.371 1.551 -0.000) 5.590 8.538 ( -3.762 -0.420 0.000) 3.786 8.690 ( 0.687 -0.394 0.000) 0.792 8.744 ( -4.277 -1.271 0.000) 4.461 9.760 ( 22.019 16.898 -0.000) 27.756 10.031 ( -5.677 5.167 -0.000) 7.677 11.408 ( 3.920 6.555 -0.000) 7.638 11.498 ( -3.088 7.097 -0.000) 7.740 12.026 ( 4.155 -13.437 0.000) 14.065 12.324 ( -26.919 -18.842 0.000) 32.858 13.010 ( 0.547 -0.487 0.000) 0.732 13.025 ( -0.595 -0.500 0.000) 0.777 13.044 ( 2.578 10.552 -0.000) 10.862 13.136 ( -7.584 2.418 -0.000) 7.960 14.090 ( 2.864 -17.302 0.000) 17.537 14.135 ( -1.448 -17.135 0.000) 17.196 16.171 ( 16.183 24.026 -0.000) 28.968 16.351 ( -3.469 16.266 -0.000) 16.632 19.380 ( -0.194 1.361 -0.000) 1.375 19.383 ( -0.748 1.040 -0.000) 1.281 22.126 ( 1.649 0.452 -0.000) 1.709 22.145 ( -0.222 0.013 -0.000) 0.223 24.394 ( 0.486 -2.991 0.000) 3.030 24.422 ( -2.636 -4.218 0.000) 4.974 32.490 ( 0.355 0.889 -0.000) 0.957 32.505 ( -1.161 -0.143 0.000) 1.169 43.882 ( 0.349 -7.597 0.000) 7.605 43.892 ( -0.450 -7.655 0.000) 7.669 45.630 ( 49.976 67.006 -0.000) 83.590 46.213 ( -11.240 45.569 -0.000) 46.935 ======================= Grid point 96 (45/128) ======================= q-point: ( 0.00 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 0.000 22.043) 22.043 1.621 ( 0.000 0.000 20.053) 20.053 2.302 ( 0.000 0.000 20.143) 20.143 2.671 ( 0.000 0.000 9.254) 9.254 2.712 ( 0.000 0.000 19.295) 19.295 2.740 ( 0.000 0.000 15.068) 15.068 3.188 ( 0.000 0.000 9.290) 9.290 3.242 ( 0.000 0.000 17.227) 17.227 3.948 ( 0.000 -0.000 -16.382) 16.382 3.999 ( 0.000 0.000 20.761) 20.761 4.363 ( 0.000 -0.000 -3.628) 3.628 4.692 ( 0.000 0.000 16.777) 16.777 4.801 ( 0.000 0.000 9.669) 9.669 5.397 ( 0.000 -0.000 -8.966) 8.966 5.747 ( 0.000 0.000 22.224) 22.224 6.248 ( 0.000 -0.000 -0.408) 0.408 6.805 ( 0.000 -0.000 -2.170) 2.170 7.175 ( 0.000 -0.000 -12.794) 12.794 8.246 ( 0.000 -0.000 -19.886) 19.886 8.313 ( 0.000 -0.000 -8.140) 8.140 8.610 ( 0.000 -0.000 -2.614) 2.614 8.796 ( 0.000 -0.000 -2.073) 2.073 8.889 ( 0.000 0.000 6.443) 6.443 9.132 ( 0.000 0.000 1.399) 1.399 10.614 ( 0.000 -0.000 -18.754) 18.754 10.762 ( 0.000 -0.000 -22.187) 22.187 11.841 ( 0.000 -0.000 -16.524) 16.524 12.029 ( 0.000 0.000 4.129) 4.129 12.102 ( 0.000 -0.000 -25.664) 25.664 12.674 ( 0.000 -0.000 -17.696) 17.696 13.150 ( 0.000 0.000 0.615) 0.615 13.222 ( 0.000 0.000 0.902) 0.902 14.841 ( 0.000 0.000 15.212) 15.212 15.351 ( 0.000 0.000 10.771) 10.771 15.551 ( 0.000 -0.000 -4.149) 4.149 15.678 ( 0.000 0.000 1.965) 1.965 19.017 ( 0.000 -0.000 -5.969) 5.969 19.128 ( 0.000 -0.000 -7.936) 7.936 22.291 ( 0.000 0.000 3.900) 3.900 22.410 ( 0.000 0.000 3.059) 3.059 24.412 ( 0.000 0.000 1.114) 1.114 24.422 ( 0.000 0.000 0.832) 0.832 32.492 ( 0.000 -0.000 -0.051) 0.051 32.554 ( 0.000 -0.000 -0.981) 0.981 43.381 ( 0.000 -0.000 -12.345) 12.345 44.181 ( 0.000 -0.000 -36.978) 36.978 45.323 ( 0.000 0.000 20.716) 20.716 45.718 ( 0.000 0.000 9.194) 9.194 ======================= Grid point 97 (46/128) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 3.345 0.000 20.412) 20.684 1.613 ( -1.287 0.000 19.427) 19.470 2.248 ( -1.315 0.000 20.353) 20.396 2.348 ( -10.772 0.000 18.226) 21.171 2.892 ( 10.085 0.000 13.632) 16.957 3.031 ( 4.271 0.000 15.784) 16.351 3.171 ( 3.422 0.000 6.984) 7.777 3.257 ( 0.039 0.000 14.375) 14.375 3.909 ( -2.269 -0.000 -6.616) 6.994 3.936 ( -4.297 0.000 12.618) 13.330 4.364 ( 0.791 0.000 2.670) 2.784 4.449 ( -8.231 0.000 14.551) 16.718 5.090 ( 12.818 0.000 3.732) 13.350 5.312 ( -7.245 -0.000 -4.411) 8.482 5.840 ( 8.286 0.000 18.431) 20.208 6.079 ( -11.692 0.000 8.246) 14.307 6.947 ( 9.281 -0.000 -7.552) 11.965 7.119 ( -5.314 -0.000 -11.543) 12.708 8.255 ( 1.045 -0.000 -17.071) 17.103 8.290 ( -1.744 -0.000 -11.187) 11.323 8.642 ( 2.731 -0.000 -2.428) 3.654 8.722 ( -4.180 -0.000 -1.191) 4.346 8.977 ( 5.262 0.000 3.352) 6.239 9.084 ( -3.944 0.000 1.829) 4.347 10.658 ( 3.430 -0.000 -19.346) 19.648 10.732 ( -2.643 -0.000 -21.077) 21.243 11.850 ( 1.183 -0.000 -15.882) 15.926 11.913 ( -4.664 -0.000 -12.194) 13.055 12.297 ( 11.572 -0.000 -11.557) 16.354 12.553 ( -10.047 -0.000 -14.103) 17.316 13.159 ( 1.280 0.000 1.186) 1.745 13.200 ( -1.823 0.000 1.001) 2.080 14.973 ( 10.232 0.000 11.663) 15.516 15.213 ( -10.012 0.000 8.731) 13.284 15.611 ( 3.265 -0.000 -0.639) 3.327 15.663 ( -1.441 0.000 1.290) 1.934 19.041 ( 2.040 -0.000 -6.256) 6.580 19.096 ( -2.491 -0.000 -7.199) 7.618 22.326 ( 2.691 0.000 3.434) 4.363 22.385 ( -2.163 0.000 3.059) 3.746 24.414 ( 0.211 0.000 1.056) 1.077 24.419 ( -0.222 0.000 0.916) 0.943 32.505 ( 1.113 -0.000 -0.151) 1.123 32.536 ( -1.416 -0.000 -0.588) 1.534 43.580 ( 16.035 -0.000 -18.223) 24.273 43.972 ( -16.427 -0.000 -29.467) 33.737 45.445 ( 8.985 0.000 15.498) 17.914 45.636 ( -6.984 0.000 10.658) 12.742 ======================= Grid point 99 (47/128) ======================= q-point: ( 0.00 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.000 0.214 14.947) 14.949 1.999 ( 0.000 2.181 21.537) 21.647 2.611 ( 0.000 -2.331 16.927) 17.087 2.787 ( 0.000 -6.666 5.846) 8.866 2.957 ( 0.000 6.576 6.778) 9.444 3.007 ( 0.000 3.410 11.771) 12.255 3.369 ( 0.000 -1.739 12.882) 12.999 3.480 ( 0.000 1.969 7.710) 7.958 3.681 ( 0.000 1.356 -11.291) 11.372 4.336 ( 0.000 1.672 16.336) 16.422 4.367 ( 0.000 0.950 2.295) 2.484 4.964 ( 0.000 3.365 7.266) 8.007 4.972 ( 0.000 0.440 13.333) 13.341 5.299 ( 0.000 0.886 -0.642) 1.094 6.124 ( 0.000 0.942 19.847) 19.870 6.267 ( 0.000 0.705 2.907) 2.991 6.755 ( 0.000 -2.159 -3.495) 4.108 6.943 ( 0.000 -1.795 -11.834) 11.970 7.899 ( 0.000 -3.967 -15.821) 16.311 8.218 ( 0.000 4.410 -5.574) 7.108 8.557 ( 0.000 1.355 -4.474) 4.675 8.726 ( 0.000 -2.797 -4.198) 5.044 8.958 ( 0.000 -1.588 1.914) 2.487 9.211 ( 0.000 2.007 4.731) 5.139 10.338 ( 0.000 2.584 -14.778) 15.002 10.430 ( 0.000 1.839 -16.137) 16.241 11.579 ( 0.000 -0.722 -12.979) 12.999 11.665 ( 0.000 -1.898 -22.478) 22.558 12.073 ( 0.000 0.618 0.520) 0.807 12.376 ( 0.000 -1.456 -15.874) 15.940 13.175 ( 0.000 -1.652 3.205) 3.606 13.243 ( 0.000 -1.487 2.533) 2.937 15.030 ( 0.000 -5.929 9.981) 11.609 15.419 ( 0.000 -13.445 -0.580) 13.458 15.497 ( 0.000 6.030 2.977) 6.725 15.760 ( 0.000 12.103 -2.767) 12.415 18.917 ( 0.000 -1.609 -4.992) 5.245 19.008 ( 0.000 1.430 -6.286) 6.446 22.334 ( 0.000 -2.398 2.650) 3.574 22.456 ( 0.000 2.089 1.014) 2.322 24.406 ( 0.000 -2.594 1.120) 2.825 24.470 ( 0.000 3.495 1.115) 3.669 32.487 ( 0.000 -0.727 -0.032) 0.728 32.539 ( 0.000 0.530 -1.070) 1.194 43.171 ( 0.000 -1.481 -10.851) 10.951 43.612 ( 0.000 -3.692 -26.365) 26.622 45.480 ( 0.000 -20.562 13.116) 24.388 45.987 ( 0.000 17.331 8.200) 19.173 ======================= Grid point 100 (48/128) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 1.981 -1.306 15.037) 15.223 1.981 ( -1.469 3.770 19.769) 20.179 2.557 ( -1.141 -1.178 15.995) 16.079 2.635 ( -7.248 -0.623 14.979) 16.652 3.041 ( 8.020 -1.747 3.265) 8.833 3.263 ( -0.256 0.841 6.394) 6.455 3.313 ( 6.852 2.980 10.903) 13.218 3.463 ( -2.297 2.138 7.027) 7.696 3.750 ( 6.515 -1.177 -4.588) 8.055 4.042 ( -14.503 1.968 2.009) 14.773 4.572 ( 8.126 2.014 15.485) 17.603 4.756 ( -8.565 2.579 15.160) 17.602 5.163 ( 6.871 1.142 3.867) 7.967 5.272 ( -2.521 1.401 0.681) 2.963 6.135 ( 1.159 -0.590 15.369) 15.424 6.218 ( -3.140 1.206 7.739) 8.438 6.818 ( 3.921 -3.800 -6.851) 8.761 6.935 ( -1.046 0.297 -8.204) 8.275 7.951 ( 4.093 -4.318 -13.872) 15.094 8.146 ( -5.123 4.820 -8.227) 10.824 8.583 ( 2.373 0.320 -4.541) 5.133 8.660 ( -4.220 -1.677 -4.467) 6.370 9.025 ( 4.191 -2.475 3.611) 6.061 9.168 ( -3.159 3.092 3.445) 5.604 10.368 ( 2.090 1.810 -15.476) 15.721 10.419 ( -1.030 2.439 -15.378) 15.604 11.561 ( -1.020 -3.125 -15.372) 15.720 11.631 ( -1.616 1.346 -17.437) 17.563 12.167 ( 6.755 -0.784 -4.993) 8.436 12.317 ( -5.063 -1.069 -12.462) 13.494 13.190 ( 1.323 -1.505 3.233) 3.804 13.225 ( -1.464 -1.400 2.842) 3.490 15.104 ( 5.923 -7.307 7.692) 12.150 15.281 ( -7.594 -7.570 3.901) 11.411 15.611 ( 5.702 4.049 -0.547) 7.014 15.719 ( -3.453 9.502 -2.242) 10.355 18.927 ( 0.699 -2.350 -5.527) 6.046 18.994 ( -0.862 2.182 -5.566) 6.040 22.352 ( 1.083 -3.333 2.165) 4.119 22.443 ( -0.883 2.992 1.276) 3.371 24.406 ( 0.007 -2.608 1.115) 2.836 24.469 ( -0.006 3.510 1.123) 3.686 32.495 ( 0.521 -1.071 -0.191) 1.206 32.530 ( -0.634 0.890 -0.790) 1.348 43.281 ( 8.972 -2.074 -14.746) 17.385 43.501 ( -8.977 -3.075 -22.367) 24.296 45.505 ( 1.406 -22.520 11.709) 25.421 45.970 ( -0.958 19.205 8.903) 21.190 ======================= Grid point 102 (49/128) ======================= q-point: ( 0.00 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 2.768 -0.947) 2.925 2.379 ( 0.000 0.449 20.351) 20.356 2.733 ( 0.000 -5.300 -0.791) 5.358 2.839 ( 0.000 -3.226 12.789) 13.190 3.137 ( 0.000 2.457 8.396) 8.748 3.170 ( 0.000 3.674 3.257) 4.910 3.530 ( 0.000 -0.460 -0.059) 0.464 3.582 ( 0.000 -4.153 14.185) 14.780 3.661 ( 0.000 5.475 1.916) 5.801 4.400 ( 0.000 -2.200 0.525) 2.261 4.569 ( 0.000 0.281 9.386) 9.390 5.128 ( 0.000 -1.301 7.829) 7.937 5.129 ( 0.000 7.602 5.466) 9.363 5.436 ( 0.000 8.016 8.579) 11.742 6.320 ( 0.000 -1.664 6.566) 6.774 6.478 ( 0.000 1.465 16.397) 16.462 6.558 ( 0.000 -8.418 -11.669) 14.388 6.826 ( 0.000 4.119 -3.913) 5.682 7.645 ( 0.000 -6.247 -7.644) 9.872 8.197 ( 0.000 6.352 -4.131) 7.577 8.452 ( 0.000 -1.090 -8.887) 8.953 8.634 ( 0.000 0.621 -3.672) 3.724 8.936 ( 0.000 1.471 -3.341) 3.650 9.289 ( 0.000 -0.037 2.695) 2.695 10.153 ( 0.000 3.591 -10.380) 10.983 10.274 ( 0.000 4.244 -5.629) 7.050 11.315 ( 0.000 -0.658 -16.245) 16.258 11.389 ( 0.000 -2.008 -7.388) 7.656 12.061 ( 0.000 1.711 -3.001) 3.455 12.102 ( 0.000 -1.953 -13.679) 13.818 13.227 ( 0.000 -3.710 5.932) 6.997 13.283 ( 0.000 -3.768 5.198) 6.420 15.070 ( 0.000 -8.959 4.061) 9.836 15.272 ( 0.000 -12.369 -1.144) 12.422 15.587 ( 0.000 8.599 -1.010) 8.658 15.810 ( 0.000 10.637 -4.745) 11.647 18.813 ( 0.000 -3.052 -3.944) 4.987 18.947 ( 0.000 2.793 -3.489) 4.470 22.339 ( 0.000 -2.875 1.220) 3.123 22.485 ( 0.000 2.444 -0.407) 2.478 24.401 ( 0.000 -2.389 1.195) 2.671 24.525 ( 0.000 3.371 1.246) 3.594 32.479 ( 0.000 -0.790 0.014) 0.790 32.527 ( 0.000 0.538 -0.990) 1.126 42.985 ( 0.000 -2.059 -8.540) 8.785 43.202 ( 0.000 -3.654 -16.797) 17.190 45.442 ( 0.000 -20.606 7.558) 21.948 46.270 ( 0.000 15.848 4.276) 16.415 ======================= Grid point 103 (50/128) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.250 -0.966 -0.697) 1.217 2.332 ( -2.395 4.779 15.094) 16.013 2.760 ( 2.082 -2.955 9.703) 10.354 2.849 ( -1.521 -2.752 12.365) 12.758 3.043 ( 0.440 -2.884 4.682) 5.517 3.342 ( 2.241 2.494 0.800) 3.447 3.482 ( 2.700 3.989 3.453) 5.927 3.573 ( -2.572 0.872 5.789) 6.394 3.780 ( 10.184 -1.236 6.601) 12.199 4.106 ( -16.539 -1.365 4.416) 17.172 4.772 ( 8.646 -1.140 5.660) 10.397 5.012 ( -5.033 3.611 11.877) 13.395 5.235 ( 3.652 3.148 2.964) 5.660 5.410 ( -1.729 8.353 7.757) 11.530 6.317 ( 0.254 -2.040 7.556) 7.831 6.384 ( -4.038 -1.063 8.033) 9.054 6.634 ( 2.726 -6.078 -4.347) 7.954 6.869 ( 2.155 4.151 -3.351) 5.754 7.712 ( 4.886 -6.029 -7.510) 10.799 8.087 ( -7.093 5.130 -6.059) 10.646 8.458 ( 0.237 -0.999 -8.292) 8.355 8.604 ( -1.423 2.983 -2.747) 4.298 9.033 ( 6.457 -0.550 -0.919) 6.545 9.227 ( -4.756 1.298 0.634) 4.971 10.163 ( 0.495 2.113 -10.096) 10.327 10.274 ( 0.071 5.464 -6.678) 8.629 11.284 ( -1.470 -3.184 -11.643) 12.160 11.396 ( 0.217 0.709 -11.212) 11.237 12.076 ( 0.989 0.437 -5.426) 5.533 12.103 ( -0.138 -0.853 -11.168) 11.202 13.240 ( 0.991 -3.835 5.729) 6.965 13.271 ( -0.903 -3.641 5.451) 6.617 15.103 ( 2.383 -10.172 3.164) 10.916 15.220 ( -3.317 -10.249 0.349) 10.778 15.656 ( 5.006 8.422 -2.475) 10.105 15.763 ( -3.951 9.846 -4.081) 11.367 18.814 ( 0.058 -3.150 -4.081) 5.156 18.945 ( -0.110 2.896 -3.291) 4.385 22.344 ( 0.281 -3.127 0.949) 3.280 22.481 ( -0.228 2.680 -0.213) 2.698 24.401 ( 0.001 -2.390 1.194) 2.672 24.525 ( 0.000 3.373 1.247) 3.596 32.482 ( 0.163 -0.915 -0.099) 0.935 32.524 ( -0.197 0.673 -0.835) 1.090 43.035 ( 3.937 -2.858 -10.885) 11.923 43.152 ( -3.920 -2.851 -14.460) 15.251 45.447 ( 0.271 -20.871 7.281) 22.107 46.266 ( -0.178 16.083 4.409) 16.677 ======================= Grid point 105 (51/128) ======================= q-point: ( 0.00 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.000 7.273 -10.348) 12.648 2.691 ( 0.000 -3.573 16.985) 17.356 2.750 ( 0.000 2.646 3.762) 4.599 2.984 ( 0.000 -2.247 7.416) 7.749 3.217 ( 0.000 1.675 -0.288) 1.700 3.260 ( 0.000 -0.810 3.454) 3.547 3.523 ( 0.000 -0.612 0.759) 0.975 3.742 ( 0.000 -7.901 10.928) 13.486 3.797 ( 0.000 0.027 10.312) 10.312 4.319 ( 0.000 -8.779 -2.876) 9.238 4.687 ( 0.000 0.677 4.528) 4.578 5.269 ( 0.000 3.797 6.336) 7.386 5.294 ( 0.000 9.152 2.992) 9.629 5.658 ( 0.000 9.054 5.532) 10.611 6.277 ( 0.000 -7.322 -10.032) 12.420 6.417 ( 0.000 -3.740 7.710) 8.569 6.736 ( 0.000 -1.502 12.900) 12.988 6.819 ( 0.000 5.157 -3.174) 6.056 7.494 ( 0.000 -7.356 -2.490) 7.766 8.169 ( 0.000 6.358 -7.159) 9.575 8.248 ( 0.000 -2.619 -11.266) 11.566 8.610 ( 0.000 6.087 -3.873) 7.215 8.924 ( 0.000 7.168 -2.014) 7.446 9.314 ( 0.000 -1.375 1.641) 2.141 10.055 ( 0.000 3.566 -5.024) 6.161 10.286 ( 0.000 3.567 1.129) 3.741 11.093 ( 0.000 1.076 -9.950) 10.008 11.277 ( 0.000 -4.165 -2.327) 4.771 11.872 ( 0.000 -0.599 -11.234) 11.250 12.021 ( 0.000 3.992 -4.387) 5.931 13.302 ( 0.000 -6.043 8.443) 10.383 13.345 ( 0.000 -6.473 7.937) 10.242 15.013 ( 0.000 -8.064 0.050) 8.064 15.130 ( 0.000 -9.384 -2.304) 9.662 15.638 ( 0.000 8.227 -3.072) 8.781 15.819 ( 0.000 8.751 -5.452) 10.310 18.730 ( 0.000 -3.075 -1.869) 3.598 18.937 ( 0.000 2.847 -1.182) 3.083 22.323 ( 0.000 -2.384 0.090) 2.385 22.495 ( 0.000 2.192 -1.083) 2.445 24.398 ( 0.000 -2.324 1.257) 2.642 24.579 ( 0.000 2.826 1.310) 3.115 32.472 ( 0.000 -0.606 0.083) 0.611 32.517 ( 0.000 0.402 -0.712) 0.818 42.833 ( 0.000 -2.342 -6.546) 6.952 42.956 ( 0.000 -1.328 -8.895) 8.993 45.329 ( 0.000 -18.081 2.359) 18.234 46.452 ( 0.000 13.071 -0.233) 13.073 ======================= Grid point 106 (52/128) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -1.115 4.728 -9.755) 10.897 2.590 ( -3.311 8.251 7.487) 11.623 2.875 ( 4.660 -7.450 10.188) 13.454 3.023 ( 2.548 -2.581 11.002) 11.584 3.147 ( -2.416 -1.161 7.152) 7.637 3.328 ( 0.597 1.463 -4.366) 4.643 3.553 ( 4.962 1.581 2.359) 5.717 3.690 ( -5.292 -0.447 7.517) 9.204 3.872 ( 7.594 -7.369 7.998) 13.264 4.122 ( -12.722 -7.981 2.318) 15.196 4.815 ( 6.465 -0.558 2.283) 6.879 5.205 ( -3.851 3.170 5.728) 7.595 5.356 ( 3.458 8.398 3.598) 9.769 5.624 ( -2.152 9.946 4.638) 11.183 6.293 ( 0.812 -6.143 -5.045) 7.991 6.420 ( 0.222 -4.154 4.867) 6.403 6.687 ( -1.913 -2.704 10.202) 10.726 6.876 ( 2.283 4.931 -1.726) 5.702 7.565 ( 4.978 -6.066 -2.761) 8.319 7.986 ( -8.442 1.325 -9.526) 12.797 8.346 ( 2.747 3.857 -6.011) 7.652 8.601 ( -0.626 6.746 -3.816) 7.776 9.005 ( 6.591 2.946 -2.789) 7.739 9.226 ( -6.775 0.781 -1.476) 6.978 10.071 ( 0.918 2.080 -2.849) 3.645 10.268 ( -0.979 4.721 -0.963) 4.917 11.116 ( 1.524 -1.365 -5.345) 5.723 11.246 ( -1.933 -1.818 -5.753) 6.336 11.912 ( 2.560 0.213 -10.234) 10.552 12.004 ( -1.371 3.300 -5.031) 6.171 13.311 ( 0.600 -6.305 8.398) 10.518 13.337 ( -0.566 -6.287 7.936) 10.140 15.030 ( 1.207 -8.863 0.177) 8.946 15.104 ( -1.663 -8.353 -2.236) 8.805 15.682 ( 3.228 8.052 -4.276) 9.672 15.783 ( -2.782 8.663 -4.509) 10.154 18.729 ( -0.005 -3.075 -1.871) 3.599 18.936 ( -0.014 2.847 -1.165) 3.077 22.324 ( 0.051 -2.423 0.010) 2.423 22.494 ( -0.042 2.226 -1.020) 2.449 24.398 ( 0.000 -2.324 1.256) 2.642 24.580 ( 0.001 2.827 1.309) 3.115 32.473 ( 0.039 -0.634 0.035) 0.636 32.516 ( -0.049 0.432 -0.653) 0.785 42.845 ( 0.739 -2.890 -7.647) 8.208 42.944 ( -0.729 -0.780 -7.800) 7.873 45.330 ( 0.065 -18.136 2.298) 18.281 46.451 ( -0.049 13.118 -0.200) 13.120 ======================= Grid point 108 (53/128) ======================= q-point: ( 0.00 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 13.901 -0.628) 13.915 2.844 ( 0.000 -9.283 6.998) 11.625 2.878 ( 0.000 9.522 3.238) 10.058 3.084 ( 0.000 1.359 5.680) 5.840 3.217 ( 0.000 -2.066 0.839) 2.230 3.226 ( 0.000 -6.152 -2.011) 6.472 3.553 ( 0.000 -2.408 3.466) 4.221 3.796 ( 0.000 -11.186 7.081) 13.239 3.989 ( 0.000 -1.432 9.794) 9.898 4.156 ( 0.000 -13.846 0.188) 13.848 4.751 ( 0.000 1.414 1.387) 1.981 5.389 ( 0.000 4.803 1.736) 5.107 5.395 ( 0.000 7.303 -1.433) 7.442 5.778 ( 0.000 6.558 -1.431) 6.712 6.101 ( 0.000 -3.582 -3.064) 4.714 6.498 ( 0.000 -5.495 6.755) 8.707 6.815 ( 0.000 5.269 -3.382) 6.261 6.872 ( 0.000 -6.566 6.851) 9.490 7.393 ( 0.000 -6.328 -1.311) 6.462 8.058 ( 0.000 1.495 -8.632) 8.760 8.091 ( 0.000 7.679 -9.367) 12.113 8.606 ( 0.000 8.494 -5.507) 10.123 9.013 ( 0.000 8.618 2.088) 8.868 9.325 ( 0.000 -0.605 0.685) 0.914 10.064 ( 0.000 3.932 1.968) 4.397 10.358 ( 0.000 0.883 4.458) 4.545 10.982 ( 0.000 2.390 -5.327) 5.839 11.207 ( 0.000 -5.372 -0.467) 5.392 11.714 ( 0.000 2.498 -7.783) 8.174 12.011 ( 0.000 6.203 -2.572) 6.715 13.386 ( 0.000 -8.446 9.506) 12.716 13.416 ( 0.000 -9.182 9.167) 12.975 14.931 ( 0.000 -5.657 -0.787) 5.712 15.011 ( 0.000 -5.965 -2.030) 6.301 15.652 ( 0.000 7.494 -4.480) 8.731 15.808 ( 0.000 7.952 -5.487) 9.661 18.690 ( 0.000 -2.445 0.609) 2.520 18.961 ( 0.000 2.479 0.736) 2.586 22.296 ( 0.000 -1.760 -0.731) 1.906 22.496 ( 0.000 2.047 -1.227) 2.386 24.396 ( 0.000 -2.295 1.317) 2.646 24.627 ( 0.000 1.975 1.266) 2.345 32.469 ( 0.000 -0.437 0.157) 0.465 32.512 ( 0.000 0.388 -0.312) 0.498 42.721 ( 0.000 -1.111 -3.817) 3.976 42.851 ( 0.000 1.005 -3.728) 3.861 45.158 ( 0.000 -14.955 -2.646) 15.187 46.531 ( 0.000 10.714 -4.557) 11.643 ======================= Grid point 109 (54/128) ======================= q-point: ( 0.33 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -1.702 13.377 -0.815) 13.510 2.781 ( -3.176 11.915 3.231) 12.747 2.930 ( 3.717 -10.015 6.034) 12.269 3.148 ( -0.155 -7.279 5.279) 8.993 3.216 ( 2.570 -0.237 3.079) 4.017 3.269 ( 1.917 -0.632 -1.070) 2.284 3.594 ( 5.307 -0.969 1.376) 5.568 3.805 ( -4.913 -5.510 8.050) 10.922 3.895 ( -1.717 -7.539 2.895) 8.256 4.055 ( -5.973 -13.437 5.753) 15.790 4.852 ( 5.759 0.922 1.344) 5.985 5.290 ( -5.069 2.585 1.090) 5.793 5.477 ( 4.010 7.843 -0.451) 8.820 5.739 ( -2.516 7.861 -2.357) 8.583 6.182 ( 4.816 -3.176 -0.948) 5.847 6.448 ( -3.229 -5.497 3.940) 7.494 6.795 ( -1.448 -6.197 6.174) 8.867 6.892 ( 1.426 2.934 -1.691) 3.675 7.482 ( 5.987 -4.416 -0.703) 7.473 7.846 ( -8.381 3.792 -7.652) 11.965 8.291 ( 6.949 6.213 -7.202) 11.780 8.599 ( -0.888 8.953 -5.894) 10.756 9.022 ( 2.520 5.590 -0.136) 6.134 9.205 ( -8.459 1.396 -2.161) 8.841 10.111 ( 2.888 2.117 4.925) 6.090 10.320 ( -2.374 2.279 2.806) 4.325 11.047 ( 4.821 0.185 -2.749) 5.553 11.158 ( -3.988 -3.316 -1.516) 5.404 11.769 ( 3.348 3.155 -7.705) 8.974 11.979 ( -2.135 5.471 -2.950) 6.572 13.393 ( 0.492 -8.698 9.582) 12.951 13.409 ( -0.477 -8.932 9.148) 12.794 14.946 ( 1.126 -6.114 -0.589) 6.245 14.991 ( -1.450 -5.415 -2.271) 6.049 15.679 ( 1.790 7.624 -5.111) 9.351 15.785 ( -1.546 7.728 -4.885) 9.272 18.690 ( 0.002 -2.449 0.621) 2.526 18.960 ( -0.014 2.482 0.728) 2.587 22.296 ( 0.013 -1.761 -0.728) 1.905 22.495 ( -0.012 2.046 -1.230) 2.387 24.396 ( 0.000 -2.295 1.318) 2.646 24.627 ( 0.001 1.975 1.265) 2.346 32.469 ( 0.008 -0.443 0.149) 0.468 32.512 ( -0.012 0.393 -0.304) 0.497 42.723 ( 0.057 -1.153 -3.934) 4.100 42.850 ( -0.051 1.047 -3.613) 3.762 45.158 ( 0.018 -14.968 -2.660) 15.203 46.530 ( -0.017 10.726 -4.547) 11.650 ======================= Grid point 111 (55/128) ======================= q-point: ( 0.00 -0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 17.004 10.992) 20.248 2.783 ( 0.000 -10.273 -0.694) 10.297 3.014 ( 0.000 1.057 0.761) 1.302 3.112 ( 0.000 -7.636 -1.167) 7.725 3.131 ( 0.000 -1.177 0.790) 1.418 3.247 ( 0.000 1.104 3.128) 3.317 3.564 ( 0.000 -3.710 1.140) 3.881 3.783 ( 0.000 -12.185 5.981) 13.573 3.888 ( 0.000 -10.314 -6.549) 12.217 4.254 ( 0.000 -6.135 14.666) 15.897 4.754 ( 0.000 -0.361 -1.506) 1.549 5.391 ( 0.000 4.424 -5.665) 7.188 5.411 ( 0.000 1.433 -2.962) 3.290 5.739 ( 0.000 1.513 -7.428) 7.581 6.103 ( 0.000 0.556 4.343) 4.378 6.520 ( 0.000 -5.474 1.555) 5.691 6.811 ( 0.000 4.693 -3.182) 5.670 6.821 ( 0.000 -11.339 -1.778) 11.477 7.333 ( 0.000 -2.783 0.786) 2.892 8.018 ( 0.000 6.868 -0.842) 6.919 8.025 ( 0.000 9.547 -7.981) 12.444 8.590 ( 0.000 8.725 -6.337) 10.784 9.127 ( 0.000 4.438 1.814) 4.795 9.323 ( 0.000 1.722 -1.246) 2.125 10.202 ( 0.000 5.278 8.226) 9.774 10.465 ( 0.000 -0.685 7.925) 7.954 10.949 ( 0.000 3.994 -2.308) 4.613 11.157 ( 0.000 -3.410 0.380) 3.431 11.667 ( 0.000 6.195 -2.658) 6.742 12.055 ( 0.000 6.128 -0.019) 6.128 13.443 ( 0.000 -10.133 7.627) 12.683 13.461 ( 0.000 -10.824 7.636) 13.246 14.885 ( 0.000 -3.913 1.229) 4.102 14.953 ( 0.000 -3.247 1.204) 3.463 15.640 ( 0.000 7.206 -5.505) 9.068 15.798 ( 0.000 8.409 -5.221) 9.898 18.702 ( 0.000 -1.362 3.040) 3.331 19.010 ( 0.000 1.978 2.303) 3.036 22.262 ( 0.000 -1.299 -1.443) 1.942 22.496 ( 0.000 2.048 -1.206) 2.377 24.397 ( 0.000 -2.245 1.382) 2.636 24.662 ( 0.000 0.933 1.080) 1.427 32.469 ( 0.000 -0.348 0.210) 0.406 32.514 ( 0.000 0.530 0.045) 0.532 42.688 ( 0.000 1.789 -0.291) 1.813 42.836 ( 0.000 3.028 -0.553) 3.078 44.938 ( 0.000 -11.582 -6.993) 13.529 46.515 ( 0.000 8.730 -8.678) 12.309 ======================= Grid point 112 (56/128) ======================= q-point: ( 0.33 -0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -2.151 17.678 9.758) 20.307 2.859 ( 4.954 -10.761 1.408) 11.930 2.953 ( -3.739 -0.541 2.217) 4.380 3.086 ( -1.637 0.381 -0.372) 1.722 3.211 ( 5.062 -6.171 -1.371) 8.099 3.283 ( 1.079 -1.396 1.229) 2.150 3.570 ( 1.605 -3.146 -1.398) 3.799 3.761 ( -5.583 -10.427 -3.418) 12.312 3.878 ( 3.866 -7.982 6.842) 11.201 4.116 ( -8.377 -8.862 11.513) 16.771 4.870 ( 6.403 -0.338 0.587) 6.438 5.303 ( -5.103 0.724 -1.419) 5.346 5.478 ( 3.759 3.520 -6.162) 8.030 5.707 ( -2.084 3.876 -7.747) 8.909 6.196 ( 5.996 0.222 3.583) 6.989 6.438 ( -5.258 -5.679 1.153) 7.825 6.749 ( -2.966 -11.135 -1.496) 11.621 6.865 ( 1.987 2.724 -4.401) 5.544 7.464 ( 7.754 -1.365 2.613) 8.295 7.837 ( -6.734 7.286 -0.307) 9.926 8.231 ( 8.181 8.328 -7.533) 13.894 8.581 ( -1.247 9.468 -6.804) 11.726 9.093 ( -1.002 4.972 0.786) 5.133 9.185 ( -8.564 2.226 -1.863) 9.043 10.270 ( 4.737 2.951 9.727) 11.215 10.417 ( -3.675 0.827 6.751) 7.731 11.019 ( 4.840 1.996 -1.393) 5.417 11.118 ( -3.291 -2.354 0.132) 4.048 11.732 ( 4.166 7.008 -2.237) 8.455 12.009 ( -3.104 5.700 -0.502) 6.510 13.448 ( 0.323 -10.396 7.578) 12.869 13.458 ( -0.238 -10.557 7.731) 13.087 14.898 ( 1.172 -3.872 1.261) 4.238 14.932 ( -1.568 -3.218 0.983) 3.712 15.667 ( 1.806 7.827 -5.286) 9.616 15.775 ( -1.547 7.751 -5.309) 9.521 18.702 ( 0.008 -1.371 3.048) 3.342 19.010 ( -0.017 1.984 2.298) 3.037 22.262 ( 0.035 -1.296 -1.404) 1.912 22.495 ( -0.032 2.045 -1.240) 2.392 24.397 ( 0.001 -2.245 1.383) 2.637 24.662 ( 0.001 0.934 1.080) 1.428 32.469 ( 0.003 -0.360 0.213) 0.419 32.514 ( -0.009 0.540 0.039) 0.542 42.689 ( 0.044 1.795 -0.247) 1.812 42.835 ( -0.036 3.027 -0.594) 3.084 44.938 ( 0.009 -11.582 -6.995) 13.530 46.515 ( -0.007 8.731 -8.674) 12.307 ======================= Grid point 114 (57/128) ======================= q-point: ( 0.00 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 0.000 14.924 13.266) 19.967 2.641 ( 0.000 -11.774 -2.458) 12.028 2.872 ( 0.000 -18.947 -0.322) 18.950 2.929 ( 0.000 -11.589 -7.953) 14.055 3.263 ( 0.000 -1.286 -1.701) 2.133 3.264 ( 0.000 8.217 3.535) 8.945 3.516 ( 0.000 -3.717 -2.802) 4.655 3.697 ( 0.000 -5.084 -3.596) 6.228 3.757 ( 0.000 -12.393 4.767) 13.278 4.400 ( 0.000 -5.794 7.811) 9.725 4.703 ( 0.000 -3.297 -1.978) 3.845 5.301 ( 0.000 1.646 -8.015) 8.182 5.327 ( 0.000 -4.081 -4.235) 5.881 5.578 ( 0.000 -2.767 -9.662) 10.050 6.227 ( 0.000 3.296 6.793) 7.550 6.412 ( 0.000 -5.576 -8.302) 10.000 6.627 ( 0.000 -10.893 -5.705) 12.297 6.784 ( 0.000 1.331 -3.782) 4.009 7.401 ( 0.000 4.470 6.665) 8.025 8.022 ( 0.000 10.526 -4.067) 11.285 8.141 ( 0.000 8.342 4.871) 9.660 8.577 ( 0.000 7.686 -4.465) 8.889 9.120 ( 0.000 1.505 -5.678) 5.874 9.345 ( 0.000 0.923 2.078) 2.274 10.430 ( 0.000 6.806 10.094) 12.174 10.615 ( 0.000 -0.084 9.697) 9.697 10.994 ( 0.000 7.594 1.238) 7.694 11.170 ( 0.000 1.576 2.574) 3.018 11.750 ( 0.000 8.777 3.405) 9.414 12.121 ( 0.000 3.648 1.703) 4.025 13.435 ( 0.000 -9.711 3.197) 10.224 13.453 ( 0.000 -10.072 3.794) 10.763 14.891 ( 0.000 -4.749 4.305) 6.410 14.995 ( 0.000 -2.635 7.051) 7.528 15.609 ( 0.000 7.004 -6.577) 9.608 15.801 ( 0.000 9.545 -5.031) 10.790 18.766 ( 0.000 0.003 5.108) 5.108 19.078 ( 0.000 1.516 3.442) 3.761 22.219 ( 0.000 -1.028 -2.083) 2.323 22.494 ( 0.000 1.958 -1.491) 2.461 24.399 ( 0.000 -2.180 1.460) 2.624 24.682 ( 0.000 -0.170 0.730) 0.750 32.469 ( 0.000 -0.340 0.218) 0.404 32.523 ( 0.000 0.761 0.183) 0.783 42.751 ( 0.000 5.558 3.186) 6.406 42.896 ( 0.000 6.024 2.493) 6.519 44.687 ( 0.000 -8.364 -10.124) 13.133 46.410 ( 0.000 6.892 -12.831) 14.565 ======================= Grid point 115 (58/128) ======================= q-point: ( 0.33 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -3.074 14.506 7.980) 16.839 2.731 ( 4.159 -14.887 -0.183) 15.458 2.822 ( -2.947 -18.961 -0.203) 19.190 3.044 ( 7.824 -8.493 -5.112) 12.629 3.215 ( -4.049 -4.761 0.831) 6.305 3.283 ( 0.250 12.369 1.668) 12.483 3.493 ( -0.839 -3.162 -3.657) 4.907 3.599 ( -3.956 -7.471 -3.371) 9.101 3.901 ( 9.045 -8.527 4.539) 13.233 4.185 ( -12.664 -7.671 4.841) 15.577 4.878 ( 8.698 -2.693 2.061) 9.336 5.243 ( -4.751 -3.943 -4.977) 7.930 5.361 ( 2.424 -0.609 -7.092) 7.520 5.568 ( -0.619 0.244 -10.128) 10.150 6.274 ( 3.526 -0.451 2.083) 4.120 6.367 ( -3.480 -2.309 -2.440) 4.837 6.557 ( -3.346 -10.102 -6.331) 12.382 6.800 ( 0.825 0.649 -4.957) 5.067 7.560 ( 9.161 3.272 7.338) 12.185 7.938 ( -4.687 7.514 1.816) 9.040 8.232 ( 4.900 9.827 -2.387) 11.237 8.567 ( -1.119 8.352 -5.034) 9.816 9.104 ( 0.163 3.250 -3.717) 4.940 9.213 ( -8.370 1.970 1.852) 8.796 10.479 ( 3.879 4.698 9.530) 11.311 10.570 ( -3.620 1.220 9.580) 10.313 11.045 ( 3.094 3.419 0.705) 4.664 11.144 ( -1.833 4.355 3.276) 5.749 11.828 ( 5.049 8.630 3.591) 10.624 12.070 ( -3.689 4.097 1.591) 5.738 13.431 ( -0.150 -9.877 2.639) 10.225 13.458 ( 0.203 -9.937 4.256) 10.812 14.912 ( 1.748 -4.378 4.896) 6.796 14.963 ( -2.356 -3.011 6.084) 7.186 15.655 ( 3.283 8.004 -5.698) 10.359 15.764 ( -2.816 8.588 -5.522) 10.591 18.766 ( 0.004 -0.014 5.105) 5.105 19.078 ( -0.016 1.519 3.441) 3.761 22.221 ( 0.083 -1.027 -2.027) 2.274 22.492 ( -0.073 1.965 -1.537) 2.496 24.399 ( 0.002 -2.180 1.461) 2.625 24.682 ( 0.003 -0.169 0.732) 0.751 32.469 ( -0.005 -0.356 0.215) 0.416 32.523 ( -0.009 0.769 0.176) 0.789 42.754 ( 0.160 5.732 3.375) 6.653 42.894 ( -0.137 5.866 2.327) 6.312 44.687 ( 0.012 -8.351 -10.122) 13.122 46.410 ( -0.005 6.890 -12.826) 14.560 ======================= Grid point 117 (59/128) ======================= q-point: ( 0.00 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.000 -13.722 -2.993) 14.045 2.554 ( 0.000 -21.195 -5.361) 21.862 2.626 ( 0.000 -12.777 -11.926) 17.477 2.912 ( 0.000 3.364 5.287) 6.266 3.167 ( 0.000 -5.560 -5.119) 7.558 3.346 ( 0.000 -11.182 1.088) 11.234 3.404 ( 0.000 3.541 1.622) 3.895 3.662 ( 0.000 -13.641 -0.832) 13.666 3.750 ( 0.000 13.561 2.404) 13.772 4.351 ( 0.000 -11.027 -4.239) 11.814 4.608 ( 0.000 -7.953 -3.367) 8.636 5.164 ( 0.000 -1.196 -7.662) 7.755 5.231 ( 0.000 -7.677 -0.197) 7.680 5.379 ( 0.000 -3.858 -7.517) 8.449 6.130 ( 0.000 -7.018 -15.610) 17.115 6.385 ( 0.000 6.024 5.700) 8.294 6.433 ( 0.000 -6.305 -6.884) 9.335 6.727 ( 0.000 -0.437 -2.355) 2.395 7.632 ( 0.000 10.593 9.829) 14.450 8.100 ( 0.000 9.720 0.841) 9.756 8.315 ( 0.000 6.672 5.605) 8.714 8.609 ( 0.000 6.802 0.011) 6.802 9.014 ( 0.000 3.163 -7.926) 8.534 9.387 ( 0.000 -3.256 4.000) 5.158 10.666 ( 0.000 8.400 8.256) 11.778 10.793 ( 0.000 2.989 9.252) 9.723 11.154 ( 0.000 13.002 4.808) 13.862 11.278 ( 0.000 7.065 4.607) 8.434 11.957 ( 0.000 9.837 9.377) 13.590 12.183 ( 0.000 -0.315 3.424) 3.439 13.367 ( 0.000 -6.966 -0.636) 6.995 13.393 ( 0.000 -7.191 -0.309) 7.198 14.916 ( 0.000 -8.364 5.665) 10.102 15.135 ( 0.000 -3.920 12.844) 13.429 15.549 ( 0.000 5.868 -8.260) 10.132 15.814 ( 0.000 10.320 -5.402) 11.648 18.874 ( 0.000 1.395 6.496) 6.644 19.157 ( 0.000 1.225 3.990) 4.174 22.170 ( 0.000 -0.874 -2.409) 2.562 22.479 ( 0.000 1.510 -2.448) 2.877 24.403 ( 0.000 -2.144 1.589) 2.668 24.683 ( 0.000 -1.196 0.211) 1.215 32.469 ( 0.000 -0.411 0.173) 0.446 32.534 ( 0.000 1.011 0.005) 1.011 42.902 ( 0.000 8.513 5.398) 10.080 43.065 ( 0.000 12.373 7.204) 14.317 44.426 ( 0.000 -5.873 -11.399) 12.823 46.210 ( 0.000 4.996 -17.413) 18.116 ======================= Grid point 118 (60/128) ======================= q-point: ( 0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.816 -15.925 -4.737) 16.635 2.521 ( -2.029 -11.504 -7.449) 13.854 2.638 ( 0.378 -17.202 -4.029) 17.671 2.896 ( 0.047 -6.664 -5.120) 8.404 3.237 ( 2.701 -1.267 6.896) 7.514 3.337 ( -0.358 -8.441 -2.299) 8.756 3.430 ( 3.137 1.763 0.332) 3.614 3.574 ( -5.761 6.291 0.962) 8.584 3.854 ( 8.233 -4.387 -0.508) 9.342 4.111 ( -13.298 -9.274 -2.887) 16.468 4.824 ( 11.444 -9.414 -4.162) 15.392 5.050 ( -7.528 -9.333 -7.537) 14.163 5.274 ( 1.225 -2.631 -1.797) 3.413 5.405 ( 1.483 -0.290 -6.665) 6.834 6.107 ( -0.944 -4.620 -13.146) 13.966 6.322 ( -3.542 -7.657 -5.577) 10.113 6.478 ( 2.485 5.736 3.655) 7.241 6.726 ( -0.113 -0.741 -2.772) 2.872 7.761 ( 8.400 7.617 8.655) 14.265 8.044 ( -4.405 9.200 1.316) 10.285 8.343 ( 1.662 7.709 3.945) 8.818 8.581 ( -1.949 6.605 -2.244) 7.243 9.072 ( 5.823 2.769 -3.141) 7.172 9.261 ( -9.413 -0.114 3.015) 9.885 10.695 ( 2.145 6.933 8.780) 11.391 10.764 ( -2.229 4.377 9.428) 10.631 11.121 ( -1.401 8.006 2.186) 8.416 11.320 ( 1.926 10.838 6.882) 12.982 12.016 ( 4.085 7.968 8.073) 12.056 12.144 ( -3.029 1.150 3.996) 5.144 13.352 ( -0.629 -6.742 -1.500) 6.935 13.407 ( 0.545 -7.429 0.411) 7.460 14.960 ( 3.725 -7.389 7.084) 10.893 15.067 ( -4.916 -5.014 10.069) 12.276 15.628 ( 5.738 7.242 -6.460) 11.274 15.759 ( -4.587 9.209 -5.705) 11.764 18.874 ( -0.022 1.358 6.472) 6.613 19.157 ( -0.020 1.212 3.984) 4.165 22.173 ( 0.133 -0.872 -2.367) 2.526 22.477 ( -0.095 1.544 -2.464) 2.909 24.403 ( 0.003 -2.145 1.590) 2.670 24.683 ( 0.004 -1.196 0.211) 1.214 32.468 ( -0.015 -0.394 0.160) 0.425 32.534 ( -0.025 0.966 -0.010) 0.966 42.922 ( 1.280 10.139 6.578) 12.153 43.047 ( -1.188 10.817 6.126) 12.488 44.427 ( 0.031 -5.824 -11.398) 12.800 46.211 ( 0.009 5.010 -17.385) 18.092 ======================= Grid point 120 (61/128) ======================= q-point: ( 0.00 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.000 -23.431 -9.349) 25.228 2.242 ( 0.000 -13.643 -9.193) 16.451 2.300 ( 0.000 -15.382 -5.958) 16.495 2.878 ( 0.000 -7.034 -3.390) 7.808 2.976 ( 0.000 -10.938 -7.350) 13.178 3.166 ( 0.000 -11.713 -4.233) 12.455 3.465 ( 0.000 -13.468 -5.084) 14.395 3.555 ( 0.000 0.435 0.259) 0.506 3.949 ( 0.000 16.829 0.758) 16.846 4.122 ( 0.000 -12.967 -0.297) 12.971 4.399 ( 0.000 -14.401 -7.679) 16.321 5.018 ( 0.000 -4.779 -5.905) 7.596 5.040 ( 0.000 -13.246 -8.406) 15.688 5.362 ( 0.000 1.280 4.419) 4.601 5.776 ( 0.000 -7.247 -15.591) 17.193 6.264 ( 0.000 -1.739 -7.485) 7.684 6.539 ( 0.000 8.983 3.081) 9.497 6.727 ( 0.000 1.842 2.225) 2.889 7.910 ( 0.000 12.735 7.367) 14.713 8.225 ( 0.000 7.933 2.414) 8.292 8.459 ( 0.000 3.765 5.181) 6.405 8.712 ( 0.000 6.194 3.573) 7.151 8.941 ( 0.000 3.562 -4.432) 5.686 9.437 ( 0.000 -3.282 6.890) 7.632 10.891 ( 0.000 11.415 5.851) 12.827 10.990 ( 0.000 8.454 6.215) 10.493 11.408 ( 0.000 17.903 6.338) 18.992 11.468 ( 0.000 10.164 7.446) 12.599 12.234 ( 0.000 -4.263 5.317) 6.814 12.263 ( 0.000 10.005 13.866) 17.098 13.290 ( 0.000 -3.023 -1.850) 3.544 13.303 ( 0.000 -3.981 -3.336) 5.194 14.895 ( 0.000 -12.988 4.000) 13.590 15.349 ( 0.000 -4.947 16.923) 17.632 15.429 ( 0.000 2.126 -10.785) 10.992 15.816 ( 0.000 9.824 -6.559) 11.812 19.012 ( 0.000 2.521 6.901) 7.347 19.237 ( 0.000 1.185 3.716) 3.901 22.123 ( 0.000 -0.769 -2.018) 2.159 22.435 ( 0.000 0.587 -4.035) 4.077 24.410 ( 0.000 -2.193 1.851) 2.869 24.664 ( 0.000 -1.999 -0.481) 2.056 32.466 ( 0.000 -0.521 0.109) 0.532 32.542 ( 0.000 1.231 -0.448) 1.310 43.096 ( 0.000 10.275 6.024) 11.910 43.420 ( 0.000 22.796 13.269) 26.376 44.185 ( 0.000 -4.796 -9.897) 10.997 45.905 ( 0.000 2.948 -22.866) 23.055 ======================= Grid point 121 (62/128) ======================= q-point: ( 0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -1.555 -20.208 -8.691) 22.052 2.260 ( 0.278 -13.929 -9.103) 16.642 2.347 ( 2.733 -18.544 -6.213) 19.747 2.685 ( -6.108 -13.135 -6.880) 16.036 3.150 ( 2.215 -8.529 -5.649) 10.467 3.215 ( 5.001 -8.918 -2.579) 10.545 3.507 ( 4.178 -10.643 -5.539) 12.705 3.554 ( -0.136 0.007 0.188) 0.232 3.878 ( -6.037 1.983 1.633) 6.561 3.998 ( -4.305 3.840 0.391) 5.782 4.555 ( 9.565 -16.614 -9.086) 21.215 4.777 ( -10.677 -15.147 -9.877) 21.000 5.219 ( 4.174 -3.516 -1.051) 5.558 5.376 ( 1.258 1.721 1.088) 2.394 5.806 ( 2.587 -3.881 -15.474) 16.162 6.139 ( -7.056 -6.319 -6.720) 11.613 6.617 ( 4.341 8.414 2.745) 9.858 6.713 ( -1.428 2.005 1.311) 2.789 7.987 ( 5.229 9.607 6.715) 12.835 8.188 ( -2.934 11.280 3.362) 12.131 8.492 ( 2.508 4.934 5.065) 7.502 8.625 ( -5.119 6.064 0.146) 7.937 9.042 ( 6.320 -1.129 -1.699) 6.641 9.352 ( -5.841 1.503 7.780) 9.844 10.922 ( 2.315 10.272 6.824) 12.548 10.975 ( -1.466 9.335 6.217) 11.312 11.297 ( -3.847 13.461 5.682) 15.109 11.572 ( 3.466 14.202 7.498) 16.430 12.230 ( -0.188 -1.596 7.691) 7.857 12.265 ( 0.009 6.438 10.662) 12.455 13.259 ( -1.081 -2.937 -3.255) 4.516 13.330 ( 0.819 -4.268 -2.127) 4.838 14.983 ( 7.214 -10.925 5.669) 14.267 15.175 ( -9.361 -6.882 7.909) 14.055 15.590 ( 8.209 4.331 -3.731) 10.003 15.750 ( -5.625 8.228 -5.779) 11.521 19.010 ( -0.091 2.442 6.839) 7.263 19.236 ( -0.049 1.128 3.698) 3.866 22.125 ( 0.156 -0.754 -2.019) 2.161 22.434 ( -0.044 0.684 -3.981) 4.040 24.410 ( 0.003 -2.195 1.850) 2.871 24.664 ( -0.004 -2.011 -0.497) 2.072 32.466 ( -0.001 -0.431 0.090) 0.440 32.540 ( -0.112 1.052 -0.501) 1.170 43.175 ( 6.057 13.936 8.367) 17.346 43.348 ( -5.660 19.430 11.347) 23.202 44.186 ( 0.069 -4.630 -9.944) 10.970 45.907 ( 0.116 3.101 -22.705) 22.916 ======================= Grid point 123 (63/128) ======================= q-point: ( 0.00 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 -22.013 -13.293) 25.715 1.889 ( 0.000 -17.123 -11.668) 20.721 2.101 ( 0.000 -14.902 -0.871) 14.927 2.696 ( 0.000 -17.411 -7.883) 19.112 2.736 ( 0.000 -10.887 -1.690) 11.017 2.978 ( 0.000 -11.827 -3.670) 12.383 3.245 ( 0.000 -10.054 -5.711) 11.563 3.251 ( 0.000 -22.875 -14.553) 27.112 4.069 ( 0.000 -20.133 -9.285) 22.171 4.107 ( 0.000 13.003 0.028) 13.003 4.191 ( 0.000 4.752 5.594) 7.340 4.730 ( 0.000 -15.276 -9.903) 18.205 4.853 ( 0.000 -8.778 -5.207) 10.206 5.354 ( 0.000 -6.778 -7.907) 10.415 5.590 ( 0.000 2.246 2.648) 3.472 6.156 ( 0.000 2.301 -5.018) 5.521 6.668 ( 0.000 9.974 0.636) 9.994 6.850 ( 0.000 7.266 6.370) 9.663 8.111 ( 0.000 10.478 1.772) 10.627 8.342 ( 0.000 8.478 1.716) 8.650 8.578 ( 0.000 2.003 5.071) 5.453 8.843 ( 0.000 4.616 5.233) 6.978 8.913 ( 0.000 0.869 -1.812) 2.009 9.596 ( 0.000 1.726 12.495) 12.614 11.069 ( 0.000 14.459 -1.549) 14.542 11.149 ( 0.000 13.018 -1.010) 13.057 11.756 ( 0.000 11.550 13.160) 17.510 11.758 ( 0.000 21.972 11.109) 24.621 12.279 ( 0.000 -6.690 6.160) 9.094 12.615 ( 0.000 8.951 14.816) 17.310 13.203 ( 0.000 -1.849 -4.680) 5.032 13.256 ( 0.000 1.939 -1.153) 2.256 14.780 ( 0.000 -16.538 -0.025) 16.538 15.206 ( 0.000 -5.755 -13.083) 14.293 15.612 ( 0.000 -4.053 18.555) 18.992 15.784 ( 0.000 8.435 -7.765) 11.465 19.156 ( 0.000 3.164 6.162) 6.927 19.304 ( 0.000 1.396 2.446) 2.816 22.091 ( 0.000 -0.702 -0.617) 0.934 22.351 ( 0.000 -0.611 -5.566) 5.600 24.423 ( 0.000 -2.368 2.355) 3.340 24.626 ( 0.000 -2.431 -1.355) 2.783 32.463 ( 0.000 -0.537 0.153) 0.559 32.543 ( 0.000 1.360 -1.019) 1.700 43.315 ( 0.000 12.152 5.834) 13.480 43.982 ( 0.000 35.128 17.178) 39.103 44.005 ( 0.000 -5.778 -4.003) 7.029 45.475 ( 0.000 0.693 -29.350) 29.358 ======================= Grid point 124 (64/128) ======================= q-point: ( 0.33 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 2.919 -19.144 -10.426) 21.994 1.947 ( -0.868 -15.826 -8.198) 17.844 2.062 ( 0.568 -19.122 -5.017) 19.777 2.402 ( -9.130 -18.365 -7.066) 21.692 2.973 ( 3.280 -9.907 -3.634) 11.050 3.060 ( 4.895 -11.341 -3.653) 12.881 3.248 ( 4.143 -16.425 -8.557) 18.978 3.305 ( 1.622 -15.454 -10.297) 18.641 3.927 ( -6.376 -5.379 -1.371) 8.454 4.115 ( -2.651 12.153 -1.297) 12.506 4.230 ( 2.980 -14.691 -8.872) 17.419 4.468 ( -8.163 -14.325 -4.573) 17.111 5.167 ( 11.849 -3.720 -0.660) 12.437 5.403 ( 1.586 0.432 -2.708) 3.168 5.554 ( 0.632 -3.006 -5.760) 6.528 5.962 ( -12.411 -6.139 -6.585) 15.333 6.734 ( 4.256 8.937 1.747) 10.051 6.833 ( -1.945 10.487 4.408) 11.541 8.166 ( 2.827 7.940 3.592) 9.161 8.375 ( 2.413 12.571 2.747) 13.092 8.600 ( 1.994 2.652 3.117) 4.552 8.707 ( -6.920 4.618 1.309) 8.422 9.027 ( 4.656 -0.996 4.368) 6.461 9.554 ( -2.581 3.929 11.228) 12.173 11.089 ( 1.376 14.500 -3.084) 14.888 11.149 ( -0.143 12.885 0.584) 12.899 11.602 ( -4.659 15.320 12.557) 20.349 11.881 ( 2.755 15.642 10.455) 19.015 12.348 ( 5.485 -2.955 9.320) 11.210 12.536 ( -5.925 5.996 12.477) 15.057 13.182 ( -1.162 -0.403 -3.751) 3.947 13.255 ( 0.089 -1.336 -3.039) 3.321 14.914 ( 9.966 -13.061 0.065) 16.429 15.124 ( -7.225 -8.434 -5.640) 12.455 15.648 ( 3.108 0.056 8.398) 8.955 15.734 ( -3.911 6.087 -4.002) 8.268 19.151 ( -0.240 2.994 6.049) 6.754 19.302 ( -0.121 1.261 2.422) 2.734 22.094 ( 0.157 -0.648 -0.630) 0.917 22.353 ( 0.113 -0.394 -5.485) 5.501 24.423 ( -0.001 -2.377 2.355) 3.346 24.625 ( -0.067 -2.520 -1.442) 2.904 32.464 ( 0.056 -0.406 0.150) 0.436 32.537 ( -0.348 0.990 -1.145) 1.553 43.495 ( 14.048 18.606 9.371) 25.126 43.829 ( -12.493 29.348 14.953) 35.227 44.007 ( 0.020 -5.050 -4.323) 6.648 45.489 ( 0.759 1.860 -28.544) 28.615 ======================= Grid point 126 (65/128) ======================= q-point: ( 0.00 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.000 -21.090 -13.781) 25.193 1.501 ( 0.000 -23.222 -9.086) 24.936 1.959 ( 0.000 -12.658 0.670) 12.676 2.372 ( 0.000 -22.231 -5.541) 22.911 2.527 ( 0.000 -31.137 -4.011) 31.394 2.766 ( 0.000 -14.205 -2.128) 14.364 2.879 ( 0.000 -10.386 -3.956) 11.114 3.078 ( 0.000 -6.269 -3.821) 7.342 3.703 ( 0.000 -23.456 -6.396) 24.312 4.193 ( 0.000 4.221 -0.745) 4.286 4.280 ( 0.000 6.098 -1.991) 6.415 4.421 ( 0.000 -8.013 -10.291) 13.043 4.675 ( 0.000 -10.534 -3.438) 11.081 5.145 ( 0.000 -11.387 -2.927) 11.757 5.723 ( 0.000 6.897 4.288) 8.121 6.135 ( 0.000 4.158 -1.656) 4.475 6.764 ( 0.000 7.644 0.140) 7.646 7.072 ( 0.000 14.771 5.577) 15.789 8.206 ( 0.000 8.166 -0.686) 8.195 8.433 ( 0.000 6.037 -0.455) 6.054 8.665 ( 0.000 1.422 2.781) 3.124 8.913 ( 0.000 1.952 0.586) 2.039 8.989 ( 0.000 3.293 6.832) 7.584 9.856 ( 0.000 4.942 11.602) 12.610 11.130 ( 0.000 14.592 -7.511) 16.412 11.233 ( 0.000 13.947 -4.199) 14.565 12.125 ( 0.000 13.095 13.145) 18.554 12.211 ( 0.000 25.243 11.536) 27.755 12.301 ( 0.000 -6.858 4.181) 8.032 12.916 ( 0.000 3.501 11.050) 11.591 13.114 ( 0.000 -1.210 -3.559) 3.759 13.305 ( 0.000 10.261 0.147) 10.262 14.562 ( 0.000 -18.196 -4.149) 18.663 14.876 ( 0.000 -16.686 -10.768) 19.859 15.711 ( 0.000 2.382 -4.775) 5.336 15.909 ( 0.000 4.325 13.002) 13.702 19.280 ( 0.000 3.194 4.146) 5.233 19.346 ( 0.000 1.746 0.518) 1.821 22.091 ( 0.000 -0.809 1.550) 1.749 22.239 ( 0.000 -1.439 -5.771) 5.948 24.444 ( 0.000 -2.681 2.990) 4.016 24.569 ( 0.000 -2.312 -2.264) 3.236 32.463 ( 0.000 -0.274 0.440) 0.519 32.535 ( 0.000 1.249 -1.382) 1.863 43.532 ( 0.000 13.055 3.884) 13.621 43.962 ( 0.000 -8.681 8.747) 12.323 44.691 ( 0.000 47.075 14.504) 49.259 44.907 ( 0.000 -2.270 -34.976) 35.049 ======================= Grid point 127 (66/128) ======================= q-point: ( 0.33 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 11.232 -18.412 -8.216) 23.079 1.671 ( 7.386 -18.889 -3.955) 20.663 1.790 ( -9.129 -17.271 -4.018) 19.944 2.091 ( -14.094 -21.474 -4.584) 26.092 2.736 ( 10.716 -28.052 -5.998) 30.622 2.859 ( 1.745 -12.394 -2.395) 12.743 2.956 ( 5.855 -11.539 -3.519) 13.409 3.071 ( -1.054 -7.947 -4.402) 9.145 3.680 ( -1.058 -22.394 -5.698) 23.132 3.880 ( -17.326 -21.938 -7.666) 28.987 4.216 ( -0.512 12.503 -2.522) 12.765 4.359 ( -0.401 2.983 -5.400) 6.182 5.129 ( 20.906 -3.414 0.647) 21.192 5.276 ( 12.525 -8.833 -2.906) 15.600 5.563 ( -12.321 2.350 2.029) 12.706 5.790 ( -21.859 -7.539 -4.749) 23.605 6.890 ( 7.172 14.331 2.589) 16.233 7.046 ( -3.206 16.616 3.643) 17.310 8.289 ( 4.749 6.645 2.315) 8.489 8.485 ( 2.784 7.943 -2.454) 8.767 8.664 ( -0.037 1.273 1.982) 2.356 8.724 ( -7.078 0.425 -0.471) 7.106 9.240 ( 11.189 7.174 14.230) 19.472 9.769 ( -6.075 6.439 6.220) 10.819 11.145 ( 0.910 14.589 -5.923) 15.772 11.242 ( 0.418 13.537 -5.172) 14.497 11.998 ( -4.761 13.407 13.983) 19.948 12.186 ( -1.454 12.390 5.151) 13.497 12.515 ( 12.944 3.408 10.924) 17.277 12.806 ( -9.861 4.393 12.533) 16.541 13.115 ( -0.441 -0.220 -3.672) 3.705 13.194 ( -4.237 1.101 -4.618) 6.363 14.715 ( 8.971 -14.638 -6.144) 18.234 14.850 ( -2.806 -15.849 -9.778) 18.833 15.748 ( 3.498 4.110 0.937) 5.478 15.851 ( -4.575 5.011 9.848) 11.959 19.272 ( -0.449 2.884 4.193) 5.109 19.341 ( -0.235 1.551 0.401) 1.619 22.096 ( 0.249 -0.621 1.711) 1.837 22.244 ( 0.278 -1.103 -5.884) 5.993 24.444 ( 0.015 -2.696 3.093) 4.103 24.563 ( -0.358 -2.752 -2.611) 3.810 32.466 ( 0.197 -0.215 0.596) 0.664 32.521 ( -0.788 0.729 -1.646) 1.965 43.842 ( 20.639 19.075 4.086) 28.399 43.970 ( 2.209 -5.105 10.138) 11.563 44.422 ( -18.584 35.120 11.070) 41.247 45.005 ( 3.566 9.298 -29.082) 30.740 ======================= Grid point 129 (67/128) ======================= q-point: ( 0.00 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 -22.236 0.000) 22.236 1.146 ( 0.000 -27.357 0.000) 27.357 1.857 ( 0.000 -10.131 0.000) 10.131 2.052 ( 0.000 -46.209 0.000) 46.209 2.075 ( 0.000 -24.160 0.000) 24.160 2.678 ( 0.000 -5.713 0.000) 5.713 2.773 ( 0.000 -6.074 0.000) 6.074 2.991 ( 0.000 -4.439 0.000) 4.439 3.404 ( 0.000 -22.730 0.000) 22.730 4.087 ( 0.000 -17.554 0.000) 17.554 4.322 ( 0.000 8.089 -0.000) 8.089 4.341 ( 0.000 8.544 -0.000) 8.544 4.539 ( 0.000 -9.558 0.000) 9.558 5.014 ( 0.000 -10.585 0.000) 10.585 5.842 ( 0.000 8.022 -0.000) 8.022 6.164 ( 0.000 3.362 -0.000) 3.362 6.828 ( 0.000 4.728 -0.000) 4.728 7.310 ( 0.000 20.667 -0.000) 20.667 8.269 ( 0.000 5.401 -0.000) 5.401 8.470 ( 0.000 4.316 -0.000) 4.316 8.701 ( 0.000 0.765 -0.000) 0.765 8.952 ( 0.000 2.452 -0.000) 2.452 9.103 ( 0.000 3.487 -0.000) 3.487 10.023 ( 0.000 5.133 -0.000) 5.133 11.175 ( 0.000 11.641 -0.000) 11.641 11.325 ( 0.000 12.543 -0.000) 12.543 12.233 ( 0.000 -11.360 0.000) 11.360 12.440 ( 0.000 19.554 -0.000) 19.554 12.587 ( 0.000 25.105 -0.000) 25.105 13.022 ( 0.000 -1.295 0.000) 1.295 13.063 ( 0.000 -1.837 0.000) 1.837 13.457 ( 0.000 15.660 -0.000) 15.660 14.315 ( 0.000 -20.122 0.000) 20.122 14.561 ( 0.000 -22.314 0.000) 22.314 15.680 ( 0.000 0.186 -0.000) 0.186 16.111 ( 0.000 10.268 -0.000) 10.268 19.346 ( 0.000 2.109 -0.000) 2.109 19.369 ( 0.000 2.440 -0.000) 2.440 22.113 ( 0.000 -1.552 0.000) 1.552 22.154 ( 0.000 -0.859 0.000) 0.859 24.452 ( 0.000 -3.282 0.000) 3.282 24.520 ( 0.000 -1.417 0.000) 1.417 32.470 ( 0.000 0.334 -0.000) 0.334 32.529 ( 0.000 0.758 -0.000) 0.758 43.698 ( 0.000 12.250 -0.000) 12.250 44.087 ( 0.000 -11.106 0.000) 11.106 44.374 ( 0.000 -4.714 0.000) 4.714 45.350 ( 0.000 52.368 -0.000) 52.368 ======================= Grid point 130 (68/128) ======================= q-point: ( 0.33 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 18.175 -17.607 0.000) 25.305 1.415 ( 18.792 -22.880 0.000) 29.608 1.600 ( -18.303 -13.376 0.000) 22.670 1.826 ( -17.051 -22.018 0.000) 27.848 2.342 ( 20.735 -33.862 0.000) 39.706 2.706 ( -4.775 -11.605 0.000) 12.549 2.853 ( 5.555 -6.067 0.000) 8.226 2.969 ( -2.752 -5.261 0.000) 5.937 3.382 ( -0.746 -23.586 0.000) 23.597 3.562 ( -22.322 -25.222 0.000) 33.681 4.319 ( 0.123 8.118 -0.000) 8.119 4.325 ( -0.337 7.832 -0.000) 7.839 5.113 ( 29.351 -2.444 0.000) 29.452 5.141 ( 12.071 -12.001 0.000) 17.022 5.573 ( -23.454 -7.384 0.000) 24.588 5.690 ( -22.769 -1.253 0.000) 22.804 7.096 ( 12.078 19.770 -0.000) 23.168 7.278 ( -4.347 21.503 -0.000) 21.938 8.371 ( 7.564 3.978 -0.000) 8.546 8.502 ( -0.947 3.920 -0.000) 4.033 8.691 ( -0.665 0.358 -0.000) 0.755 8.734 ( -6.736 1.448 -0.000) 6.890 9.504 ( 21.474 10.266 -0.000) 23.802 9.889 ( -12.079 8.357 -0.000) 14.688 11.224 ( 3.837 11.289 -0.000) 11.923 11.302 ( -2.398 11.949 -0.000) 12.188 12.217 ( 0.973 -1.849 0.000) 2.089 12.326 ( -7.754 11.783 -0.000) 14.105 12.736 ( 11.445 14.247 -0.000) 18.274 13.009 ( -4.710 1.942 -0.000) 5.094 13.060 ( -0.228 -1.971 0.000) 1.984 13.119 ( -14.556 1.407 -0.000) 14.624 14.471 ( 6.495 -17.767 0.000) 18.917 14.549 ( -1.419 -21.512 0.000) 21.559 15.837 ( 10.652 9.486 -0.000) 14.264 16.038 ( -6.523 11.608 -0.000) 13.315 19.344 ( -0.028 2.030 -0.000) 2.030 19.352 ( -0.884 1.991 -0.000) 2.178 22.133 ( 1.238 -0.859 0.000) 1.507 22.151 ( -0.368 -0.671 0.000) 0.766 24.461 ( 0.867 -3.304 0.000) 3.416 24.492 ( -1.807 -2.728 0.000) 3.272 32.477 ( 0.734 0.274 -0.000) 0.783 32.504 ( -1.579 0.263 -0.000) 1.601 43.977 ( 10.567 2.754 -0.000) 10.920 44.076 ( -1.309 -9.411 0.000) 9.502 44.649 ( 25.612 27.941 -0.000) 37.904 45.174 ( -16.481 50.839 -0.000) 53.443 ======================= Grid point 144 (69/128) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 0.000 -0.000 -1.204) 1.204 2.372 ( 0.000 0.000 21.952) 21.952 2.826 ( 0.000 -0.000 -9.191) 9.191 2.889 ( 0.000 0.000 13.847) 13.847 3.073 ( 0.000 0.000 13.880) 13.880 3.123 ( 0.000 0.000 3.901) 3.901 3.548 ( 0.000 -0.000 -0.407) 0.407 3.594 ( 0.000 0.000 6.388) 6.388 3.627 ( 0.000 0.000 14.979) 14.979 4.415 ( 0.000 0.000 2.786) 2.786 4.574 ( 0.000 0.000 11.440) 11.440 5.038 ( 0.000 0.000 3.740) 3.740 5.181 ( 0.000 0.000 9.702) 9.702 5.315 ( 0.000 0.000 3.891) 3.891 6.347 ( 0.000 0.000 7.253) 7.253 6.457 ( 0.000 0.000 18.260) 18.260 6.705 ( 0.000 -0.000 -14.913) 14.913 6.724 ( 0.000 -0.000 -2.523) 2.523 7.727 ( 0.000 -0.000 -6.670) 6.670 8.112 ( 0.000 -0.000 -4.426) 4.426 8.456 ( 0.000 -0.000 -6.551) 6.551 8.635 ( 0.000 -0.000 -7.758) 7.758 8.921 ( 0.000 -0.000 -6.714) 6.714 9.294 ( 0.000 0.000 5.158) 5.158 10.113 ( 0.000 -0.000 -9.784) 9.784 10.224 ( 0.000 -0.000 -5.888) 5.888 11.320 ( 0.000 -0.000 -17.579) 17.579 11.409 ( 0.000 -0.000 -6.741) 6.741 12.043 ( 0.000 -0.000 -3.636) 3.636 12.122 ( 0.000 -0.000 -14.535) 14.535 13.269 ( 0.000 0.000 6.545) 6.545 13.325 ( 0.000 0.000 5.994) 5.994 15.206 ( 0.000 0.000 5.948) 5.948 15.455 ( 0.000 -0.000 -2.961) 2.961 15.509 ( 0.000 -0.000 -0.283) 0.283 15.591 ( 0.000 -0.000 -6.269) 6.269 18.863 ( 0.000 -0.000 -2.721) 2.721 18.899 ( 0.000 -0.000 -4.758) 4.758 22.383 ( 0.000 0.000 1.306) 1.306 22.446 ( 0.000 -0.000 -0.649) 0.649 24.456 ( 0.000 0.000 1.485) 1.485 24.460 ( 0.000 0.000 1.369) 1.369 32.490 ( 0.000 -0.000 -0.064) 0.064 32.519 ( 0.000 -0.000 -0.969) 0.969 43.006 ( 0.000 -0.000 -8.913) 8.913 43.241 ( 0.000 -0.000 -18.538) 18.538 45.808 ( 0.000 0.000 7.614) 7.614 45.954 ( 0.000 0.000 3.611) 3.611 ======================= Grid point 145 (70/128) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 6.984 0.000 1.713) 7.191 2.241 ( -9.672 0.000 10.897) 14.570 2.798 ( 2.077 0.000 11.514) 11.699 2.901 ( -6.754 0.000 14.735) 16.210 3.085 ( 11.143 0.000 1.875) 11.300 3.290 ( -2.005 0.000 0.630) 2.102 3.433 ( 2.383 0.000 5.569) 6.057 3.556 ( -3.767 0.000 5.088) 6.330 3.806 ( 11.146 0.000 10.228) 15.127 4.120 ( -16.312 0.000 7.015) 17.756 4.792 ( 10.042 0.000 10.032) 14.194 4.965 ( -5.675 0.000 9.085) 10.712 5.230 ( 3.083 0.000 4.326) 5.312 5.290 ( -2.099 0.000 3.128) 3.767 6.346 ( 0.395 0.000 8.439) 8.448 6.388 ( -3.553 0.000 11.862) 12.383 6.759 ( 2.192 -0.000 -3.913) 4.485 6.766 ( 2.332 -0.000 -8.025) 8.357 7.802 ( 6.973 -0.000 -6.601) 9.602 8.000 ( -8.919 -0.000 -5.578) 10.519 8.483 ( 2.422 -0.000 -6.858) 7.273 8.561 ( -4.410 -0.000 -7.686) 8.861 9.041 ( 8.272 -0.000 -3.004) 8.800 9.216 ( -6.497 0.000 2.550) 6.979 10.149 ( 2.610 -0.000 -9.041) 9.410 10.202 ( -1.863 -0.000 -7.196) 7.433 11.329 ( 1.117 -0.000 -14.260) 14.303 11.374 ( -2.526 -0.000 -8.878) 9.230 12.072 ( 2.112 -0.000 -6.587) 6.917 12.111 ( -1.094 -0.000 -11.962) 12.012 13.284 ( 1.190 0.000 6.510) 6.618 13.312 ( -1.112 0.000 6.215) 6.314 15.258 ( 4.334 0.000 4.550) 6.284 15.372 ( -5.273 0.000 1.237) 5.416 15.552 ( 1.925 -0.000 -3.867) 4.320 15.582 ( -0.830 -0.000 -5.727) 5.787 18.872 ( 0.718 -0.000 -3.198) 3.278 18.890 ( -0.772 -0.000 -4.215) 4.285 22.399 ( 1.319 0.000 0.771) 1.527 22.431 ( -1.255 -0.000 -0.205) 1.272 24.457 ( 0.088 0.000 1.456) 1.459 24.459 ( -0.086 0.000 1.398) 1.400 32.497 ( 0.564 -0.000 -0.266) 0.624 32.511 ( -0.604 -0.000 -0.717) 0.938 43.065 ( 4.812 -0.000 -11.325) 12.305 43.182 ( -4.797 -0.000 -16.126) 16.825 45.846 ( 3.039 0.000 6.522) 7.195 45.919 ( -2.928 0.000 4.529) 5.393 ======================= Grid point 147 (71/128) ======================= q-point: ( 0.00 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.000 0.732 -12.040) 12.062 2.642 ( 0.000 4.949 -11.589) 12.601 2.726 ( 0.000 -0.392 18.639) 18.643 3.072 ( 0.000 -5.134 8.420) 9.861 3.169 ( 0.000 3.169 2.020) 3.758 3.309 ( 0.000 -1.803 12.368) 12.498 3.598 ( 0.000 -6.646 6.971) 9.631 3.743 ( 0.000 5.343 9.036) 10.497 3.860 ( 0.000 -3.115 13.305) 13.665 4.450 ( 0.000 -3.360 2.793) 4.369 4.706 ( 0.000 -1.910 4.889) 5.248 5.118 ( 0.000 6.310 2.132) 6.661 5.265 ( 0.000 -3.711 4.379) 5.740 5.454 ( 0.000 9.576 4.091) 10.413 6.424 ( 0.000 -5.876 -12.158) 13.503 6.496 ( 0.000 -2.864 11.056) 11.421 6.706 ( 0.000 4.913 -3.556) 6.065 6.747 ( 0.000 0.172 14.985) 14.985 7.640 ( 0.000 -5.606 -1.072) 5.708 8.037 ( 0.000 5.208 -8.269) 9.772 8.306 ( 0.000 -2.627 -10.217) 10.549 8.496 ( 0.000 4.201 -9.336) 10.238 8.801 ( 0.000 3.648 -6.658) 7.592 9.357 ( 0.000 -1.717 2.878) 3.351 9.998 ( 0.000 1.623 -4.576) 4.855 10.222 ( 0.000 2.073 3.395) 3.978 11.077 ( 0.000 0.397 -10.710) 10.717 11.342 ( 0.000 -1.851 -0.484) 1.913 11.878 ( 0.000 -0.062 -13.496) 13.496 11.958 ( 0.000 1.817 -6.723) 6.964 13.396 ( 0.000 -2.605 9.584) 9.932 13.446 ( 0.000 -2.809 9.472) 9.879 15.200 ( 0.000 -9.646 -0.056) 9.646 15.353 ( 0.000 -12.031 -4.437) 12.823 15.446 ( 0.000 9.775 -4.065) 10.586 15.605 ( 0.000 11.790 -5.034) 12.820 18.798 ( 0.000 -3.560 -1.683) 3.938 18.871 ( 0.000 3.473 -1.503) 3.784 22.376 ( 0.000 -2.602 -0.150) 2.607 22.444 ( 0.000 2.535 -1.213) 2.811 24.453 ( 0.000 -3.007 1.607) 3.409 24.517 ( 0.000 3.196 1.624) 3.584 32.486 ( 0.000 -0.587 -0.034) 0.588 32.507 ( 0.000 0.498 -0.708) 0.865 42.867 ( 0.000 -0.907 -6.711) 6.772 42.976 ( 0.000 -0.550 -11.725) 11.738 45.725 ( 0.000 -19.750 1.386) 19.798 46.133 ( 0.000 17.616 -0.147) 17.617 ======================= Grid point 148 (72/128) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 5.847 -5.613 -11.042) 13.697 2.342 ( -12.324 12.060 -4.503) 17.821 2.984 ( 9.074 -2.620 12.123) 15.368 3.104 ( -0.214 -3.105 9.810) 10.292 3.176 ( 4.138 -1.196 8.478) 9.510 3.342 ( -1.775 -1.488 5.458) 5.929 3.533 ( -0.057 -0.672 5.927) 5.965 3.651 ( -5.962 3.322 5.162) 8.557 4.000 ( 9.173 -3.841 12.619) 16.067 4.244 ( -12.108 -3.245 8.225) 14.993 4.870 ( 8.052 -4.492 2.241) 9.489 5.107 ( -2.283 7.090 4.292) 8.596 5.265 ( 1.136 -2.113 2.157) 3.226 5.416 ( -2.583 9.368 3.478) 10.321 6.425 ( 0.112 -5.774 -3.574) 6.792 6.487 ( -0.544 -1.317 6.082) 6.247 6.718 ( 0.932 -0.401 5.935) 6.022 6.776 ( 1.258 3.780 2.564) 4.738 7.697 ( 4.757 -5.751 -2.511) 7.875 7.927 ( -7.488 3.968 -7.210) 11.127 8.323 ( 0.926 -2.101 -9.169) 9.452 8.454 ( -2.029 6.732 -8.371) 10.933 8.957 ( 11.544 1.323 -6.060) 13.105 9.226 ( -10.475 -0.275 -1.145) 10.541 10.051 ( 3.658 -0.058 -2.021) 4.179 10.177 ( -3.261 3.292 1.243) 4.797 11.138 ( 4.925 -0.660 -7.141) 8.700 11.275 ( -5.231 -0.820 -2.871) 6.023 11.907 ( 1.976 0.094 -11.661) 11.827 11.950 ( -0.821 1.628 -7.940) 8.147 13.409 ( 1.024 -2.748 9.546) 9.986 13.435 ( -0.915 -2.709 9.445) 9.868 15.229 ( 2.422 -9.836 -0.821) 10.163 15.299 ( -3.334 -9.532 -3.141) 10.576 15.500 ( 3.300 8.317 -5.058) 10.278 15.576 ( -2.375 10.930 -4.668) 12.120 18.798 ( -0.004 -3.566 -1.716) 3.957 18.871 ( -0.015 3.478 -1.453) 3.769 22.379 ( 0.167 -2.854 -0.402) 2.887 22.442 ( -0.154 2.785 -0.985) 2.958 24.453 ( 0.001 -3.009 1.606) 3.411 24.517 ( -0.000 3.198 1.625) 3.587 32.488 ( 0.119 -0.719 -0.165) 0.748 32.505 ( -0.131 0.632 -0.562) 0.855 42.891 ( 1.839 -1.398 -8.167) 8.487 42.952 ( -1.830 -0.060 -10.275) 10.437 45.729 ( 0.225 -20.141 1.189) 20.178 46.130 ( -0.202 18.004 0.010) 18.006 ======================= Grid point 150 (73/128) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.000 6.297 -5.577) 8.411 2.566 ( 0.000 15.559 -9.305) 18.129 2.981 ( 0.000 -2.888 10.162) 10.565 3.073 ( 0.000 -0.990 0.623) 1.170 3.282 ( 0.000 -3.837 8.668) 9.479 3.437 ( 0.000 -8.516 8.625) 12.121 3.632 ( 0.000 -6.036 5.072) 7.884 3.979 ( 0.000 2.066 11.299) 11.487 4.004 ( 0.000 -8.097 9.666) 12.610 4.431 ( 0.000 -11.415 4.241) 12.177 4.735 ( 0.000 -0.456 0.924) 1.031 5.219 ( 0.000 8.964 -0.366) 8.971 5.306 ( 0.000 2.051 1.538) 2.563 5.592 ( 0.000 10.819 -0.836) 10.851 6.202 ( 0.000 -5.666 -5.872) 8.159 6.640 ( 0.000 -7.398 10.752) 13.052 6.695 ( 0.000 6.007 -4.195) 7.326 6.968 ( 0.000 -2.240 11.368) 11.586 7.549 ( 0.000 -8.485 -1.515) 8.619 7.927 ( 0.000 8.046 -11.382) 13.939 8.066 ( 0.000 -2.737 -12.736) 13.026 8.411 ( 0.000 10.048 -9.465) 13.804 8.816 ( 0.000 8.764 0.791) 8.799 9.363 ( 0.000 -2.084 0.169) 2.091 9.990 ( 0.000 2.929 1.058) 3.115 10.340 ( 0.000 0.760 7.686) 7.723 10.954 ( 0.000 0.508 -4.515) 4.544 11.324 ( 0.000 -5.476 1.648) 5.719 11.666 ( 0.000 2.017 -11.695) 11.868 11.880 ( 0.000 5.982 -5.835) 8.357 13.536 ( 0.000 -5.588 10.994) 12.333 13.582 ( 0.000 -6.350 11.192) 12.868 15.075 ( 0.000 -8.368 -2.411) 8.709 15.165 ( 0.000 -8.850 -4.431) 9.898 15.473 ( 0.000 9.786 -4.964) 10.973 15.621 ( 0.000 10.001 -5.883) 11.603 18.751 ( 0.000 -3.400 0.384) 3.422 18.900 ( 0.000 3.396 0.596) 3.448 22.339 ( 0.000 -2.420 -0.947) 2.599 22.448 ( 0.000 2.576 -1.427) 2.945 24.451 ( 0.000 -2.981 1.693) 3.428 24.577 ( 0.000 2.830 1.663) 3.283 32.479 ( 0.000 -0.550 0.034) 0.551 32.503 ( 0.000 0.498 -0.379) 0.626 42.751 ( 0.000 -1.618 -5.116) 5.366 42.829 ( 0.000 1.151 -5.876) 5.987 45.509 ( 0.000 -18.862 -3.282) 19.146 46.260 ( 0.000 15.632 -4.815) 16.357 ======================= Grid point 151 (74/128) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 1.429 1.396 -6.220) 6.533 2.396 ( -8.170 20.873 -7.523) 23.644 3.105 ( 5.718 -5.591 4.688) 9.270 3.197 ( 7.163 0.964 3.962) 8.243 3.308 ( 2.070 -6.035 10.301) 12.116 3.411 ( -2.843 -10.191 8.898) 13.825 3.608 ( 1.102 -0.900 3.691) 3.956 3.809 ( -9.710 2.624 7.915) 12.799 4.121 ( 6.010 -10.710 9.239) 15.368 4.315 ( -7.148 -10.511 8.345) 15.206 4.848 ( 6.111 -1.482 0.165) 6.290 5.225 ( -3.790 6.039 0.532) 7.149 5.298 ( 3.575 5.689 0.035) 6.719 5.541 ( -3.285 10.661 -1.442) 11.248 6.281 ( 4.923 -6.146 -3.130) 8.474 6.550 ( -4.181 -2.513 3.560) 6.039 6.796 ( 5.039 1.228 2.129) 5.606 6.929 ( -3.058 -2.232 10.996) 11.630 7.595 ( 3.761 -6.301 -2.276) 7.683 7.789 ( -7.171 1.783 -10.920) 13.186 8.177 ( 4.712 3.863 -9.126) 10.973 8.390 ( -1.789 10.705 -9.584) 14.479 8.908 ( 9.073 4.698 -2.414) 10.498 9.188 ( -12.971 0.450 -2.776) 13.272 10.078 ( 5.974 0.965 4.366) 7.463 10.272 ( -5.076 2.168 5.714) 7.945 11.057 ( 7.912 -0.878 -2.232) 8.267 11.236 ( -7.033 -3.725 0.639) 7.984 11.716 ( 2.961 1.556 -11.068) 11.563 11.860 ( -1.419 5.731 -6.082) 8.476 13.548 ( 0.937 -5.805 11.070) 12.535 13.571 ( -0.910 -6.149 11.099) 12.721 15.091 ( 1.370 -8.027 -3.421) 8.832 15.138 ( -1.913 -8.724 -3.491) 9.589 15.502 ( 1.827 9.345 -5.777) 11.137 15.602 ( -1.364 9.977 -5.107) 11.291 18.751 ( 0.010 -3.415 0.416) 3.440 18.899 ( -0.021 3.410 0.569) 3.457 22.340 ( 0.016 -2.427 -0.966) 2.612 22.448 ( -0.013 2.581 -1.409) 2.941 24.451 ( 0.001 -2.981 1.693) 3.428 24.577 ( 0.000 2.831 1.663) 3.283 32.480 ( 0.013 -0.554 0.012) 0.554 32.503 ( -0.017 0.502 -0.354) 0.615 42.754 ( 0.161 -1.781 -5.523) 5.805 42.826 ( -0.155 1.314 -5.472) 5.630 45.510 ( 0.047 -18.913 -3.321) 19.202 46.259 ( -0.044 15.681 -4.783) 16.395 ======================= Grid point 153 (75/128) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 0.000 14.742 8.274) 16.906 2.630 ( 0.000 20.937 -5.225) 21.579 2.946 ( 0.000 -5.470 -2.681) 6.092 3.185 ( 0.000 1.132 5.969) 6.075 3.340 ( 0.000 -10.156 5.424) 11.514 3.453 ( 0.000 -14.759 7.664) 16.630 3.652 ( 0.000 -4.212 2.936) 5.135 4.035 ( 0.000 -11.813 6.500) 13.484 4.055 ( 0.000 -6.751 -1.909) 7.016 4.441 ( 0.000 -11.348 12.024) 16.533 4.744 ( 0.000 1.075 -0.239) 1.102 5.266 ( 0.000 7.470 -4.093) 8.518 5.350 ( 0.000 3.929 -0.354) 3.945 5.634 ( 0.000 8.491 -5.755) 10.257 6.127 ( 0.000 -2.996 2.346) 3.805 6.689 ( 0.000 -10.756 5.075) 11.893 6.690 ( 0.000 6.827 -3.645) 7.739 7.051 ( 0.000 -9.813 3.556) 10.437 7.429 ( 0.000 -5.752 -3.080) 6.525 7.839 ( 0.000 8.027 -7.983) 11.320 7.889 ( 0.000 4.886 -6.579) 8.195 8.366 ( 0.000 12.745 -9.025) 15.617 8.965 ( 0.000 9.586 4.008) 10.390 9.321 ( 0.000 -0.772 -3.072) 3.168 10.091 ( 0.000 5.063 5.697) 7.622 10.484 ( 0.000 -1.083 8.837) 8.903 10.913 ( 0.000 -0.330 -0.952) 1.008 11.270 ( 0.000 -7.382 0.130) 7.383 11.539 ( 0.000 6.145 -7.012) 9.323 11.899 ( 0.000 8.919 -1.007) 8.976 13.639 ( 0.000 -8.463 8.506) 11.999 13.680 ( 0.000 -9.796 8.921) 13.249 14.981 ( 0.000 -5.486 0.412) 5.501 15.043 ( 0.000 -5.494 -0.389) 5.508 15.472 ( 0.000 9.013 -6.191) 10.934 15.612 ( 0.000 9.499 -6.502) 11.511 18.744 ( 0.000 -2.700 2.493) 3.674 18.957 ( 0.000 3.121 2.121) 3.773 22.296 ( 0.000 -2.040 -1.384) 2.465 22.448 ( 0.000 2.509 -1.472) 2.909 24.450 ( 0.000 -2.954 1.730) 3.423 24.630 ( 0.000 2.147 1.495) 2.616 32.476 ( 0.000 -0.386 0.110) 0.402 32.504 ( 0.000 0.509 -0.114) 0.522 42.673 ( 0.000 -0.217 -2.509) 2.518 42.779 ( 0.000 2.541 -2.436) 3.520 45.235 ( 0.000 -16.967 -7.112) 18.397 46.288 ( 0.000 13.443 -9.050) 16.205 ======================= Grid point 154 (76/128) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -1.610 12.789 7.050) 14.692 2.529 ( -5.040 24.284 -3.675) 25.072 3.068 ( 8.401 -6.176 -0.550) 10.441 3.247 ( -0.862 -1.722 1.573) 2.486 3.377 ( 3.100 -9.687 6.754) 12.209 3.439 ( 0.683 -14.035 7.705) 16.025 3.630 ( 0.137 -2.203 0.485) 2.259 3.895 ( -9.790 -3.607 0.188) 10.435 4.118 ( 4.920 -14.307 7.323) 16.809 4.349 ( -5.754 -12.798 9.942) 17.197 4.861 ( 6.593 1.039 1.484) 6.838 5.266 ( -4.897 3.118 -0.365) 5.817 5.347 ( 4.763 8.334 -3.941) 10.376 5.574 ( -3.979 8.870 -6.298) 11.583 6.223 ( 5.583 -3.212 1.905) 6.717 6.572 ( -4.280 -4.648 2.975) 6.984 6.806 ( 3.918 -0.343 -1.454) 4.194 7.001 ( -2.759 -11.333 2.611) 11.953 7.509 ( 5.836 -2.278 -1.159) 6.371 7.687 ( -7.136 6.384 -3.391) 10.157 8.067 ( 8.128 7.151 -9.912) 14.678 8.345 ( -2.457 12.995 -9.348) 16.195 8.963 ( 2.782 6.527 1.168) 7.191 9.149 ( -11.860 1.551 -2.753) 12.274 10.206 ( 8.300 2.901 7.519) 11.569 10.403 ( -6.621 0.532 7.670) 10.146 11.016 ( 6.899 -1.775 -1.145) 7.215 11.211 ( -4.590 -6.013 1.649) 7.742 11.590 ( 3.025 6.453 -6.883) 9.908 11.865 ( -2.155 8.211 -1.805) 8.679 13.650 ( 0.860 -8.795 8.639) 12.358 13.670 ( -0.787 -9.449 8.861) 12.978 14.983 ( 0.177 -4.645 -0.677) 4.697 15.030 ( -0.752 -6.035 0.378) 6.094 15.490 ( 1.124 9.141 -6.303) 11.160 15.601 ( -0.727 9.107 -6.167) 11.022 18.744 ( 0.022 -2.720 2.509) 3.700 18.957 ( -0.030 3.140 2.109) 3.782 22.297 ( 0.029 -2.031 -1.351) 2.439 22.448 ( -0.025 2.499 -1.502) 2.916 24.450 ( 0.001 -2.954 1.730) 3.423 24.630 ( 0.000 2.147 1.495) 2.617 32.476 ( 0.016 -0.392 0.132) 0.414 32.503 ( -0.019 0.514 -0.136) 0.532 42.674 ( 0.039 -0.206 -2.462) 2.471 42.779 ( -0.034 2.532 -2.484) 3.547 45.235 ( 0.014 -16.977 -7.122) 18.410 46.288 ( -0.013 13.453 -9.040) 16.208 ======================= Grid point 156 (77/128) ======================= q-point: ( 0.00 -0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.000 17.874 14.913) 23.278 2.796 ( 0.000 20.094 -0.559) 20.102 2.832 ( 0.000 -6.998 -2.998) 7.613 3.197 ( 0.000 -11.466 -3.189) 11.901 3.291 ( 0.000 -3.683 1.727) 4.068 3.410 ( 0.000 -18.388 6.835) 19.617 3.636 ( 0.000 -5.836 0.962) 5.915 3.856 ( 0.000 -9.333 -8.552) 12.658 4.011 ( 0.000 -12.030 4.629) 12.890 4.538 ( 0.000 -7.811 8.162) 11.297 4.749 ( 0.000 -1.108 0.934) 1.449 5.236 ( 0.000 4.517 -6.116) 7.604 5.368 ( 0.000 0.089 0.082) 0.121 5.571 ( 0.000 3.866 -8.473) 9.314 6.193 ( 0.000 -0.168 5.886) 5.888 6.583 ( 0.000 -11.479 -4.323) 12.266 6.715 ( 0.000 5.682 -1.114) 5.790 6.888 ( 0.000 -14.186 -6.205) 15.484 7.358 ( 0.000 0.274 -0.903) 0.943 7.826 ( 0.000 7.670 -2.475) 8.059 7.957 ( 0.000 9.793 3.917) 10.547 8.365 ( 0.000 12.807 -6.030) 14.156 9.064 ( 0.000 3.944 -3.681) 5.395 9.293 ( 0.000 3.429 0.965) 3.562 10.271 ( 0.000 8.020 6.704) 10.452 10.616 ( 0.000 -0.079 6.958) 6.958 10.906 ( 0.000 0.832 0.197) 0.855 11.206 ( 0.000 -4.915 0.469) 4.937 11.568 ( 0.000 9.327 1.253) 9.411 12.007 ( 0.000 7.550 3.232) 8.213 13.637 ( 0.000 -9.687 1.916) 9.875 13.674 ( 0.000 -11.036 2.673) 11.355 14.990 ( 0.000 -4.650 6.467) 7.965 15.059 ( 0.000 -3.471 7.562) 8.321 15.446 ( 0.000 8.578 -7.139) 11.160 15.597 ( 0.000 10.061 -6.665) 12.068 18.781 ( 0.000 -1.512 4.309) 4.567 19.033 ( 0.000 2.804 3.095) 4.176 22.250 ( 0.000 -1.854 -1.756) 2.554 22.448 ( 0.000 2.459 -1.583) 2.924 24.451 ( 0.000 -2.874 1.765) 3.373 24.670 ( 0.000 1.264 1.092) 1.670 32.475 ( 0.000 -0.254 0.120) 0.280 32.509 ( 0.000 0.643 0.004) 0.643 42.666 ( 0.000 2.644 0.383) 2.672 42.792 ( 0.000 4.303 -0.070) 4.304 44.928 ( 0.000 -14.719 -9.483) 17.509 46.224 ( 0.000 11.238 -12.963) 17.156 ======================= Grid point 157 (78/128) ======================= q-point: ( 0.33 -0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -3.430 16.913 13.065) 21.644 2.749 ( -2.304 21.469 0.916) 21.612 2.987 ( 10.337 -6.830 -0.481) 12.399 3.224 ( -6.809 -7.540 1.243) 10.235 3.286 ( 6.113 -13.792 -3.395) 15.463 3.403 ( -0.081 -12.796 4.298) 13.499 3.593 ( -2.437 -5.035 -0.426) 5.610 3.755 ( -5.998 -7.713 -6.712) 11.854 4.110 ( 6.915 -11.500 5.712) 14.584 4.372 ( -9.101 -10.375 5.253) 14.767 4.916 ( 8.596 -1.052 4.763) 9.883 5.279 ( -4.254 0.577 -1.396) 4.515 5.323 ( 3.820 3.942 -4.915) 7.369 5.513 ( -4.002 5.324 -8.806) 11.041 6.265 ( 4.280 -0.223 4.303) 6.073 6.517 ( -3.478 -10.613 -1.812) 11.315 6.762 ( 2.223 0.319 -3.724) 4.348 6.813 ( -3.691 -12.070 -6.550) 14.220 7.514 ( 8.627 1.637 1.933) 8.992 7.783 ( -2.880 7.609 2.708) 8.574 8.020 ( 4.381 10.337 -3.810) 11.856 8.345 ( -2.200 12.950 -5.773) 14.348 9.022 ( -0.956 4.334 -2.529) 5.108 9.151 ( -8.876 3.628 1.058) 9.647 10.370 ( 7.499 5.408 6.072) 11.061 10.541 ( -6.252 1.532 6.779) 9.349 10.999 ( 6.070 0.342 0.692) 6.119 11.160 ( -3.699 -5.086 -0.205) 6.292 11.640 ( 4.657 9.781 2.693) 11.163 11.952 ( -3.683 7.444 2.294) 8.616 13.642 ( 0.312 -10.280 1.497) 10.393 13.670 ( -0.227 -10.477 3.031) 10.909 14.994 ( 0.297 -3.434 6.539) 7.391 15.041 ( -1.054 -4.366 6.986) 8.305 15.474 ( 1.750 9.240 -6.417) 11.385 15.580 ( -1.178 9.126 -6.851) 11.472 18.782 ( 0.022 -1.529 4.313) 4.576 19.033 ( -0.026 2.819 3.093) 4.185 22.251 ( 0.081 -1.846 -1.693) 2.506 22.447 ( -0.075 2.452 -1.643) 2.953 24.451 ( 0.002 -2.874 1.767) 3.374 24.670 ( 0.001 1.265 1.092) 1.671 32.475 ( 0.034 -0.293 0.157) 0.334 32.508 ( -0.041 0.678 -0.036) 0.680 42.668 ( 0.118 2.635 0.488) 2.682 42.791 ( -0.108 4.320 -0.167) 4.325 44.928 ( 0.006 -14.718 -9.486) 17.510 46.224 ( -0.004 11.239 -12.958) 17.153 ======================= Grid point 159 (79/128) ======================= q-point: ( 0.00 -0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.000 12.513 8.869) 15.337 2.698 ( 0.000 -9.254 -3.109) 9.762 2.925 ( 0.000 -15.460 -9.838) 18.325 2.972 ( 0.000 5.550 3.413) 6.515 3.272 ( 0.000 -4.734 -0.186) 4.738 3.321 ( 0.000 -9.411 1.598) 9.545 3.557 ( 0.000 -8.526 -1.599) 8.674 3.670 ( 0.000 -3.097 -3.110) 4.389 3.926 ( 0.000 -11.728 -1.033) 11.774 4.529 ( 0.000 -7.011 -0.572) 7.034 4.748 ( 0.000 -5.803 2.353) 6.262 5.161 ( 0.000 1.220 -5.533) 5.666 5.358 ( 0.000 -4.364 1.228) 4.533 5.440 ( 0.000 -1.521 -7.305) 7.462 6.299 ( 0.000 2.396 4.914) 5.466 6.317 ( 0.000 -11.550 -12.069) 16.705 6.613 ( 0.000 -11.609 -9.417) 14.948 6.739 ( 0.000 0.260 -0.357) 0.441 7.427 ( 0.000 8.928 3.415) 9.558 7.917 ( 0.000 7.618 3.842) 8.532 8.160 ( 0.000 8.899 7.349) 11.541 8.422 ( 0.000 11.348 -1.642) 11.466 8.956 ( 0.000 1.895 -9.192) 9.385 9.392 ( 0.000 2.826 4.405) 5.234 10.463 ( 0.000 10.808 4.028) 11.534 10.718 ( 0.000 4.005 2.704) 4.833 10.956 ( 0.000 5.933 1.958) 6.247 11.205 ( 0.000 -0.075 2.741) 2.742 11.761 ( 0.000 9.852 9.197) 13.478 12.150 ( 0.000 3.770 6.320) 7.359 13.525 ( 0.000 -8.197 -3.591) 8.949 13.562 ( 0.000 -9.121 -3.065) 9.622 15.083 ( 0.000 -7.518 10.388) 12.823 15.218 ( 0.000 -3.783 14.396) 14.885 15.401 ( 0.000 8.176 -7.930) 11.390 15.590 ( 0.000 11.085 -6.641) 12.922 18.860 ( 0.000 -0.016 5.611) 5.611 19.118 ( 0.000 2.562 3.417) 4.271 22.199 ( 0.000 -1.817 -1.914) 2.639 22.441 ( 0.000 2.166 -2.142) 3.046 24.453 ( 0.000 -2.750 1.863) 3.322 24.692 ( 0.000 0.311 0.442) 0.540 32.475 ( 0.000 -0.157 0.073) 0.174 32.516 ( 0.000 0.801 -0.117) 0.810 42.742 ( 0.000 6.538 2.993) 7.190 42.869 ( 0.000 7.383 2.311) 7.736 44.620 ( 0.000 -12.600 -9.650) 15.871 46.069 ( 0.000 8.796 -16.932) 19.080 ======================= Grid point 160 (80/128) ======================= q-point: ( 0.33 -0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -4.592 8.979 5.701) 11.585 2.845 ( 3.301 -9.919 -1.632) 10.580 2.968 ( 4.930 -7.465 -0.986) 9.000 3.025 ( 4.084 -4.822 -4.018) 7.488 3.233 ( -3.968 3.071 2.255) 5.501 3.305 ( -1.109 -8.300 -0.047) 8.374 3.502 ( -2.734 -7.547 -2.209) 8.325 3.601 ( -3.366 -5.373 -2.530) 6.826 4.045 ( 8.654 -10.576 -0.538) 13.676 4.303 ( -12.115 -9.376 -1.295) 15.374 4.974 ( 11.678 -5.482 3.743) 13.433 5.185 ( -0.901 -2.979 -5.954) 6.718 5.316 ( -1.787 -1.973 1.566) 3.089 5.394 ( -3.041 1.666 -8.148) 8.855 6.267 ( -0.276 -10.689 -8.890) 13.906 6.372 ( 1.243 1.342 2.099) 2.784 6.535 ( -3.539 -11.026 -8.078) 14.119 6.748 ( 0.452 -0.381 -1.044) 1.200 7.607 ( 11.568 7.397 2.966) 14.048 7.871 ( -4.391 7.484 0.458) 8.690 8.167 ( 0.471 9.707 6.576) 11.734 8.404 ( -1.603 10.483 -1.811) 10.758 8.996 ( 5.153 3.660 -3.471) 7.211 9.230 ( -11.456 3.250 2.841) 12.243 10.526 ( 4.737 8.915 3.715) 10.757 10.659 ( -4.565 5.459 2.856) 7.668 11.028 ( 4.536 1.825 0.339) 4.901 11.168 ( -2.758 3.171 3.849) 5.698 11.847 ( 5.810 8.836 9.330) 14.103 12.087 ( -4.558 4.683 6.020) 8.885 13.512 ( -0.538 -8.748 -4.330) 9.776 13.573 ( 0.496 -8.638 -2.438) 8.989 15.105 ( 1.947 -6.262 10.826) 12.657 15.168 ( -3.208 -4.390 11.849) 13.037 15.459 ( 3.687 8.733 -5.731) 11.078 15.558 ( -2.537 9.896 -6.657) 12.193 18.860 ( 0.011 -0.037 5.604) 5.604 19.117 ( -0.021 2.571 3.416) 4.275 22.201 ( 0.148 -1.833 -1.840) 2.601 22.438 ( -0.134 2.193 -2.209) 3.115 24.453 ( 0.003 -2.750 1.865) 3.323 24.692 ( 0.003 0.312 0.442) 0.541 32.475 ( 0.033 -0.250 0.108) 0.274 32.515 ( -0.050 0.879 -0.160) 0.895 42.748 ( 0.289 6.685 3.257) 7.442 42.865 ( -0.254 7.269 2.078) 7.565 44.620 ( 0.006 -12.593 -9.654) 15.867 46.069 ( 0.001 8.799 -16.925) 19.075 ======================= Grid point 162 (81/128) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 0.000 -12.787 -6.038) 14.141 2.584 ( 0.000 -12.070 -10.289) 15.861 2.602 ( 0.000 -14.322 -7.632) 16.228 3.008 ( 0.000 -6.237 2.748) 6.816 3.184 ( 0.000 -9.258 -1.649) 9.404 3.336 ( 0.000 0.100 -2.380) 2.382 3.496 ( 0.000 0.608 4.777) 4.815 3.685 ( 0.000 5.207 2.599) 5.819 3.735 ( 0.000 -12.144 -6.624) 13.833 4.387 ( 0.000 -10.859 -4.414) 11.722 4.674 ( 0.000 -12.348 -0.909) 12.381 5.085 ( 0.000 -2.081 -2.712) 3.419 5.248 ( 0.000 -4.811 -8.164) 9.476 5.375 ( 0.000 -5.006 3.226) 5.956 5.974 ( 0.000 -11.940 -12.320) 17.157 6.344 ( 0.000 -6.780 -10.454) 12.460 6.411 ( 0.000 4.057 4.080) 5.754 6.721 ( 0.000 -1.234 -0.020) 1.234 7.628 ( 0.000 14.069 5.050) 14.948 8.081 ( 0.000 6.531 5.313) 8.419 8.364 ( 0.000 6.017 6.991) 9.224 8.539 ( 0.000 10.506 2.207) 10.735 8.851 ( 0.000 3.688 -5.193) 6.369 9.475 ( 0.000 0.250 3.712) 3.720 10.628 ( 0.000 13.725 0.476) 13.733 10.798 ( 0.000 9.827 -1.478) 9.938 11.098 ( 0.000 11.766 4.205) 12.494 11.307 ( 0.000 5.104 6.293) 8.103 12.066 ( 0.000 9.848 13.904) 17.038 12.290 ( 0.000 -0.618 7.835) 7.860 13.375 ( 0.000 -5.089 -5.269) 7.326 13.404 ( 0.000 -5.850 -5.851) 8.275 15.146 ( 0.000 -10.700 6.005) 12.270 15.350 ( 0.000 4.831 -5.070) 7.003 15.450 ( 0.000 -4.668 16.624) 17.267 15.594 ( 0.000 11.436 -6.083) 12.953 18.970 ( 0.000 1.473 6.161) 6.335 19.199 ( 0.000 2.453 2.950) 3.837 22.150 ( 0.000 -1.799 -1.489) 2.335 22.413 ( 0.000 1.421 -3.272) 3.568 24.460 ( 0.000 -2.626 2.104) 3.365 24.691 ( 0.000 -0.585 -0.445) 0.735 32.474 ( 0.000 -0.148 0.031) 0.152 32.520 ( 0.000 0.925 -0.474) 1.040 42.892 ( 0.000 9.654 4.169) 10.515 43.041 ( 0.000 14.130 5.701) 15.237 44.353 ( 0.000 -11.137 -6.789) 13.043 45.815 ( 0.000 5.848 -21.333) 22.120 ======================= Grid point 163 (82/128) ======================= q-point: ( 0.33 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -2.181 -6.483 -5.190) 8.586 2.557 ( -0.495 -18.618 -9.623) 20.964 2.733 ( 6.288 -17.045 -7.500) 19.655 2.935 ( -3.867 -11.117 -1.355) 11.848 3.287 ( 4.411 -2.780 -2.274) 5.688 3.343 ( 1.570 0.196 -0.119) 1.586 3.465 ( -1.729 5.098 5.762) 7.885 3.557 ( -5.809 -0.039 1.585) 6.022 3.890 ( 9.606 -9.277 -4.291) 14.027 4.153 ( -13.595 -10.287 -3.817) 17.471 4.870 ( 10.281 -13.457 -3.891) 17.376 5.035 ( -4.519 -9.247 -5.550) 11.693 5.281 ( 1.878 -1.687 -2.326) 3.433 5.351 ( -1.643 -0.742 1.980) 2.678 5.943 ( -1.304 -10.663 -13.050) 16.903 6.273 ( -3.469 -6.228 -8.960) 11.450 6.490 ( 3.644 3.004 4.131) 6.275 6.727 ( 0.253 -2.113 0.367) 2.159 7.756 ( 10.174 12.117 2.991) 16.102 7.988 ( -8.360 8.739 2.946) 12.447 8.377 ( 0.851 6.695 7.134) 9.821 8.480 ( -3.063 7.858 -0.117) 8.434 9.005 ( 12.135 3.695 -0.121) 12.686 9.313 ( -12.696 2.553 4.135) 13.594 10.677 ( 3.686 12.950 0.412) 13.471 10.759 ( -3.107 11.200 -1.004) 11.667 11.091 ( -0.470 6.247 3.798) 7.326 11.327 ( 1.103 9.297 6.321) 11.297 12.121 ( 3.954 7.427 12.340) 14.935 12.247 ( -3.360 1.315 8.633) 9.356 13.345 ( -1.107 -5.506 -5.958) 8.188 13.431 ( 0.954 -5.519 -5.182) 7.631 15.192 ( 3.752 -8.557 6.353) 11.299 15.288 ( -4.276 -2.762 3.986) 6.466 15.497 ( 3.003 3.065 4.881) 6.499 15.563 ( -2.476 9.305 -3.639) 10.294 18.970 ( -0.019 1.427 6.140) 6.304 19.199 ( -0.023 2.450 2.942) 3.828 22.153 ( 0.191 -1.859 -1.431) 2.354 22.410 ( -0.155 1.518 -3.317) 3.651 24.460 ( 0.005 -2.627 2.105) 3.367 24.691 ( 0.003 -0.586 -0.448) 0.738 32.474 ( -0.004 -0.260 0.042) 0.263 32.519 ( -0.041 0.996 -0.508) 1.118 42.915 ( 1.498 11.288 5.226) 12.529 43.021 ( -1.358 12.643 4.761) 13.577 44.353 ( 0.004 -11.125 -6.801) 13.040 45.815 ( 0.023 5.884 -21.306) 22.103 ======================= Grid point 165 (83/128) ======================= q-point: ( 0.00 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 -18.103 -16.175) 24.276 2.231 ( 0.000 -16.105 -7.817) 17.902 2.390 ( 0.000 -13.221 -2.845) 13.524 2.944 ( 0.000 -9.468 0.244) 9.471 3.033 ( 0.000 -14.756 -1.468) 14.829 3.200 ( 0.000 -9.829 -4.284) 10.722 3.471 ( 0.000 -11.636 -9.102) 14.773 3.593 ( 0.000 -5.887 1.851) 6.171 3.818 ( 0.000 11.765 1.883) 11.915 4.215 ( 0.000 -7.505 -2.537) 7.922 4.471 ( 0.000 -18.710 -3.628) 19.058 5.008 ( 0.000 -6.277 -1.873) 6.550 5.013 ( 0.000 -11.051 -9.802) 14.772 5.389 ( 0.000 0.212 0.175) 0.275 5.707 ( 0.000 -11.659 -3.022) 12.045 6.136 ( 0.000 -1.196 -8.317) 8.403 6.513 ( 0.000 4.408 2.500) 5.068 6.749 ( 0.000 3.161 2.737) 4.182 7.848 ( 0.000 14.300 2.666) 14.547 8.204 ( 0.000 5.852 2.297) 6.287 8.516 ( 0.000 4.384 4.417) 6.223 8.706 ( 0.000 8.817 5.355) 10.316 8.847 ( 0.000 4.011 -1.357) 4.234 9.562 ( 0.000 2.027 6.450) 6.761 10.748 ( 0.000 16.285 -4.507) 16.897 10.867 ( 0.000 14.178 -4.833) 14.979 11.350 ( 0.000 17.116 8.075) 18.925 11.526 ( 0.000 9.946 9.889) 14.025 12.400 ( 0.000 -4.118 7.524) 8.577 12.421 ( 0.000 10.360 14.783) 18.052 13.253 ( 0.000 -1.442 -4.813) 5.024 13.254 ( 0.000 -3.085 -5.933) 6.687 15.053 ( 0.000 -8.198 -4.730) 9.465 15.316 ( 0.000 -6.947 1.089) 7.032 15.574 ( 0.000 9.348 -5.390) 10.790 15.715 ( 0.000 -3.270 15.098) 15.449 19.096 ( 0.000 2.602 5.784) 6.342 19.265 ( 0.000 2.461 1.623) 2.948 22.116 ( 0.000 -1.674 -0.180) 1.684 22.354 ( 0.000 0.237 -4.585) 4.592 24.473 ( 0.000 -2.541 2.559) 3.606 24.664 ( 0.000 -1.311 -1.529) 2.015 32.473 ( 0.000 -0.276 0.104) 0.295 32.518 ( 0.000 1.027 -0.931) 1.386 43.071 ( 0.000 11.585 3.936) 12.235 43.365 ( 0.000 24.796 8.639) 26.257 44.178 ( 0.000 -10.634 0.045) 10.634 45.447 ( 0.000 2.097 -26.076) 26.161 ======================= Grid point 166 (84/128) ======================= q-point: ( 0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 1.777 -17.498 -11.598) 21.068 2.254 ( -3.289 -13.970 -7.939) 16.401 2.438 ( 5.911 -17.492 -5.159) 19.171 2.759 ( -7.742 -16.016 -3.026) 18.045 3.155 ( 1.680 -7.990 -3.630) 8.935 3.263 ( 4.403 -8.583 -2.169) 9.887 3.519 ( 4.200 -9.290 -4.828) 11.280 3.584 ( -1.003 -5.173 1.562) 5.496 3.827 ( 2.580 7.584 0.194) 8.013 4.011 ( -12.131 -4.924 -1.533) 13.181 4.609 ( 7.568 -19.036 -6.458) 21.479 4.797 ( -8.007 -15.523 -7.107) 18.857 5.235 ( 7.525 -2.437 -0.866) 7.957 5.378 ( -0.978 0.599 0.772) 1.382 5.666 ( -2.172 -8.586 -5.951) 10.670 6.069 ( -3.639 -4.476 -8.358) 10.156 6.589 ( 4.471 4.463 2.740) 6.886 6.733 ( -1.402 0.357 1.924) 2.407 7.946 ( 7.719 13.394 2.781) 15.707 8.134 ( -6.290 10.537 2.675) 12.560 8.524 ( 0.556 4.774 3.099) 5.719 8.588 ( -4.556 6.615 4.274) 9.098 9.033 ( 9.916 0.882 0.621) 9.975 9.451 ( -7.748 5.658 6.788) 11.752 10.775 ( 1.544 15.752 -6.150) 16.981 10.859 ( -0.540 15.195 -3.183) 15.534 11.308 ( -2.037 12.242 10.196) 16.062 11.571 ( 2.097 13.589 8.125) 15.971 12.401 ( 0.202 0.055 9.267) 9.269 12.413 ( -0.600 5.628 12.487) 13.710 13.208 ( -1.285 -2.294 -5.124) 5.759 13.295 ( 1.081 -2.479 -5.580) 6.201 15.127 ( 5.806 -6.021 -4.495) 9.496 15.259 ( -4.958 -4.775 -2.239) 7.239 15.604 ( 2.656 4.104 1.623) 5.151 15.675 ( -3.136 -1.664 11.419) 11.958 19.094 ( -0.085 2.502 5.748) 6.270 19.264 ( -0.045 2.432 1.600) 2.911 22.120 ( 0.196 -1.778 -0.119) 1.792 22.352 ( -0.113 0.433 -4.633) 4.655 24.473 ( 0.005 -2.544 2.562) 3.611 24.664 ( -0.012 -1.334 -1.549) 2.044 32.472 ( -0.054 -0.303 0.083) 0.319 32.516 ( -0.059 0.950 -0.952) 1.346 43.145 ( 5.758 15.387 5.517) 17.331 43.300 ( -5.251 21.561 7.354) 23.378 44.178 ( -0.000 -10.636 0.065) 10.636 45.449 ( 0.130 2.318 -25.995) 26.098 ======================= Grid point 168 (85/128) ======================= q-point: ( 0.00 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.000 -19.326 -13.687) 23.682 1.944 ( 0.000 -19.614 -4.560) 20.137 2.218 ( 0.000 -12.786 -1.509) 12.875 2.832 ( 0.000 -21.697 -0.402) 21.701 2.856 ( 0.000 -10.798 1.663) 10.926 3.029 ( 0.000 -9.489 -3.502) 10.115 3.222 ( 0.000 -7.937 -6.943) 10.545 3.391 ( 0.000 -29.488 -1.678) 29.535 3.970 ( 0.000 11.915 1.749) 12.043 4.155 ( 0.000 5.425 -4.843) 7.272 4.192 ( 0.000 -23.607 -3.072) 23.806 4.710 ( 0.000 -15.040 -8.490) 17.271 4.890 ( 0.000 -9.980 -1.832) 10.147 5.353 ( 0.000 -5.806 -0.869) 5.870 5.650 ( 0.000 -3.202 3.558) 4.786 6.045 ( 0.000 4.014 -3.821) 5.542 6.594 ( 0.000 6.592 0.841) 6.646 6.865 ( 0.000 7.154 3.661) 8.037 7.992 ( 0.000 12.151 -1.023) 12.194 8.313 ( 0.000 6.270 2.742) 6.843 8.609 ( 0.000 4.214 1.615) 4.513 8.847 ( 0.000 3.485 -2.546) 4.316 8.888 ( 0.000 6.657 5.911) 8.903 9.745 ( 0.000 5.908 8.538) 10.383 10.812 ( 0.000 16.299 -6.504) 17.549 10.926 ( 0.000 15.671 -5.301) 16.543 11.706 ( 0.000 22.900 8.221) 24.331 11.820 ( 0.000 14.184 8.496) 16.534 12.461 ( 0.000 -6.251 5.422) 8.275 12.771 ( 0.000 10.825 12.739) 16.717 13.146 ( 0.000 -1.712 -3.537) 3.929 13.176 ( 0.000 2.288 -4.867) 5.378 14.851 ( 0.000 -9.752 -7.080) 12.051 15.213 ( 0.000 -16.355 0.545) 16.364 15.567 ( 0.000 8.779 -5.417) 10.316 15.922 ( 0.000 -2.584 11.390) 11.680 19.215 ( 0.000 3.090 4.452) 5.419 19.302 ( 0.000 2.549 -0.326) 2.570 22.114 ( 0.000 -1.391 1.840) 2.307 22.264 ( 0.000 -1.037 -5.110) 5.214 24.497 ( 0.000 -2.507 3.138) 4.016 24.612 ( 0.000 -1.796 -2.635) 3.189 32.473 ( 0.000 -0.494 0.389) 0.628 32.510 ( 0.000 1.140 -1.168) 1.632 43.258 ( 0.000 13.381 2.720) 13.655 43.826 ( 0.000 36.485 7.695) 37.288 44.163 ( 0.000 -10.603 11.430) 15.591 44.962 ( 0.000 -2.692 -29.347) 29.471 ======================= Grid point 169 (86/128) ======================= q-point: ( 0.33 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 7.613 -17.865 -8.810) 21.325 1.997 ( -4.533 -14.228 -4.488) 15.593 2.186 ( 5.330 -19.765 -2.461) 20.618 2.517 ( -13.133 -19.749 -3.165) 23.928 3.034 ( 2.673 -8.173 -0.618) 8.621 3.129 ( 3.225 -9.840 -2.117) 10.569 3.287 ( 7.676 -15.021 -5.329) 17.690 3.402 ( -0.185 -24.692 -1.771) 24.756 3.943 ( -1.668 9.578 0.887) 9.763 3.987 ( -7.652 0.843 -0.946) 7.756 4.290 ( 3.698 -20.367 -5.748) 21.483 4.483 ( -8.061 -16.721 -9.254) 20.741 5.201 ( 14.471 -3.340 0.210) 14.853 5.388 ( 1.167 -0.961 0.828) 1.724 5.576 ( -4.036 -5.672 2.457) 7.382 5.895 ( -9.530 -3.049 -6.959) 12.188 6.675 ( 6.062 6.445 1.134) 8.920 6.809 ( -4.832 6.370 2.571) 8.399 8.100 ( 7.514 11.743 0.581) 13.953 8.286 ( -3.391 11.116 1.104) 11.674 8.611 ( 0.081 3.543 2.148) 4.144 8.700 ( -4.431 2.669 1.474) 5.379 9.112 ( 10.680 5.086 7.143) 13.819 9.614 ( -8.987 8.377 2.322) 12.503 10.830 ( 1.002 15.929 -4.529) 16.590 10.941 ( 0.777 15.727 -5.622) 16.720 11.662 ( -2.068 17.155 11.967) 21.019 11.847 ( 1.061 17.033 4.147) 17.563 12.534 ( 6.086 -1.405 7.522) 9.777 12.690 ( -6.522 7.280 11.008) 14.721 13.123 ( -1.030 -0.641 -3.089) 3.319 13.188 ( 0.458 -0.480 -5.321) 5.362 14.949 ( 7.559 -7.959 -6.861) 12.944 15.124 ( -7.012 -10.064 -4.065) 12.922 15.665 ( 7.617 2.098 1.685) 8.079 15.840 ( -6.822 -1.969 9.040) 11.495 19.212 ( -0.185 2.921 4.456) 5.331 19.300 ( -0.108 2.465 -0.387) 2.498 22.119 ( 0.238 -1.512 2.046) 2.555 22.263 ( -0.068 -0.725 -5.309) 5.359 24.497 ( 0.017 -2.503 3.181) 4.048 24.610 ( -0.086 -1.918 -2.721) 3.330 32.472 ( -0.023 -0.305 0.427) 0.525 32.506 ( -0.219 0.732 -1.250) 1.465 43.412 ( 12.096 19.886 4.141) 23.641 43.695 ( -10.826 30.916 6.220) 33.342 44.169 ( 0.286 -9.968 12.257) 15.802 44.971 ( 0.508 -1.610 -29.341) 29.390 ======================= Grid point 171 (87/128) ======================= q-point: ( 0.00 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 -20.828 0.000) 20.828 1.676 ( 0.000 -23.967 0.000) 23.967 2.082 ( 0.000 -11.701 0.000) 11.701 2.583 ( 0.000 -25.109 0.000) 25.109 2.754 ( 0.000 -14.538 0.000) 14.538 2.910 ( 0.000 -8.083 0.000) 8.083 3.024 ( 0.000 -34.601 0.000) 34.601 3.094 ( 0.000 -5.573 0.000) 5.573 3.908 ( 0.000 -25.627 0.000) 25.627 4.130 ( 0.000 10.166 -0.000) 10.166 4.150 ( 0.000 9.678 -0.000) 9.678 4.458 ( 0.000 -17.909 0.000) 17.909 4.760 ( 0.000 -11.414 0.000) 11.414 5.256 ( 0.000 -11.590 0.000) 11.590 5.697 ( 0.000 4.625 -0.000) 4.625 6.069 ( 0.000 5.577 -0.000) 5.577 6.680 ( 0.000 8.629 -0.000) 8.629 6.992 ( 0.000 10.555 -0.000) 10.555 8.097 ( 0.000 10.972 -0.000) 10.972 8.390 ( 0.000 4.017 -0.000) 4.017 8.662 ( 0.000 3.257 -0.000) 3.257 8.868 ( 0.000 5.207 -0.000) 5.207 9.011 ( 0.000 5.634 -0.000) 5.634 9.900 ( 0.000 6.704 -0.000) 6.704 10.902 ( 0.000 14.800 -0.000) 14.800 11.034 ( 0.000 15.580 -0.000) 15.580 12.043 ( 0.000 26.612 -0.000) 26.612 12.061 ( 0.000 16.871 -0.000) 16.871 12.441 ( 0.000 -8.064 0.000) 8.064 13.016 ( 0.000 5.180 -0.000) 5.180 13.100 ( 0.000 -1.614 0.000) 1.614 13.157 ( 0.000 10.127 -0.000) 10.127 14.659 ( 0.000 -13.393 0.000) 13.393 15.016 ( 0.000 -21.369 0.000) 21.369 15.594 ( 0.000 7.183 -0.000) 7.183 16.018 ( 0.000 0.161 -0.000) 0.161 19.299 ( 0.000 2.477 -0.000) 2.477 19.312 ( 0.000 3.060 -0.000) 3.060 22.139 ( 0.000 -0.993 0.000) 0.993 22.181 ( 0.000 -1.813 0.000) 1.813 24.516 ( 0.000 -2.899 0.000) 2.899 24.552 ( 0.000 -1.678 0.000) 1.678 32.473 ( 0.000 -0.528 0.000) 0.528 32.508 ( 0.000 1.182 -0.000) 1.182 43.425 ( 0.000 14.059 -0.000) 14.059 44.313 ( 0.000 -10.688 0.000) 10.688 44.327 ( 0.000 45.723 -0.000) 45.723 44.484 ( 0.000 -5.923 0.000) 5.923 ======================= Grid point 172 (88/128) ======================= q-point: ( 0.33 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 12.899 -18.085 0.000) 22.214 1.810 ( -0.833 -15.343 0.000) 15.365 1.953 ( 1.573 -20.921 0.000) 20.980 2.274 ( -17.252 -21.409 0.000) 27.495 2.955 ( 5.221 -9.263 0.000) 10.633 2.970 ( 4.531 -19.085 0.000) 19.615 3.077 ( 2.608 -18.783 0.000) 18.963 3.127 ( 2.886 -16.738 0.000) 16.985 3.878 ( -0.979 -21.154 0.000) 21.176 3.998 ( -12.079 -7.279 0.000) 14.103 4.160 ( 1.419 4.580 -0.000) 4.795 4.214 ( -4.856 -7.260 0.000) 8.734 5.169 ( 20.416 -3.389 0.000) 20.695 5.366 ( 8.647 -7.220 0.000) 11.265 5.568 ( -8.580 -0.999 0.000) 8.638 5.799 ( -19.220 -3.380 0.000) 19.515 6.775 ( 7.090 11.326 -0.000) 13.362 6.930 ( -5.629 12.053 -0.000) 13.303 8.220 ( 9.018 10.498 -0.000) 13.839 8.386 ( -3.326 7.887 -0.000) 8.559 8.660 ( 0.385 2.201 -0.000) 2.235 8.716 ( -5.502 0.717 -0.000) 5.548 9.301 ( 18.388 9.817 -0.000) 20.844 9.706 ( -15.769 9.264 -0.000) 18.289 10.960 ( 3.919 14.284 -0.000) 14.812 11.023 ( -1.396 15.032 -0.000) 15.096 12.003 ( -1.491 19.263 -0.000) 19.321 12.020 ( -2.536 16.334 -0.000) 16.530 12.607 ( 12.416 0.430 -0.000) 12.423 12.898 ( -11.643 8.550 -0.000) 14.444 13.096 ( -0.151 -1.409 0.000) 1.417 13.105 ( -1.222 -0.447 0.000) 1.301 14.775 ( 8.251 -11.818 0.000) 14.413 14.945 ( -6.083 -16.048 0.000) 17.162 15.707 ( 9.145 3.775 -0.000) 9.893 15.920 ( -8.250 0.922 -0.000) 8.302 19.298 ( 0.015 2.470 -0.000) 2.470 19.304 ( -0.503 2.704 -0.000) 2.751 22.153 ( 1.019 -1.014 0.000) 1.438 22.174 ( -0.706 -1.453 0.000) 1.615 24.523 ( 0.626 -2.740 0.000) 2.811 24.541 ( -0.844 -2.168 0.000) 2.326 32.478 ( 0.509 -0.252 0.000) 0.568 32.495 ( -0.928 0.551 -0.000) 1.080 43.668 ( 18.388 21.892 -0.000) 28.589 44.069 ( -15.391 25.801 -0.000) 30.042 44.432 ( 3.059 5.328 -0.000) 6.144 44.474 ( -1.012 -3.302 0.000) 3.453 ======================= Grid point 192 (89/128) ======================= q-point: ( 0.00 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 -0.000 -8.204) 8.204 2.381 ( 0.000 -0.000 -12.011) 12.011 2.996 ( 0.000 0.000 12.118) 12.118 3.093 ( 0.000 -0.000 -3.723) 3.723 3.331 ( 0.000 0.000 13.172) 13.172 3.511 ( 0.000 0.000 9.057) 9.057 3.742 ( 0.000 0.000 1.647) 1.647 3.933 ( 0.000 0.000 17.576) 17.576 4.090 ( 0.000 0.000 11.058) 11.058 4.559 ( 0.000 0.000 6.713) 6.713 4.756 ( 0.000 -0.000 -0.302) 0.302 5.103 ( 0.000 0.000 0.388) 0.388 5.326 ( 0.000 -0.000 -0.524) 0.524 5.421 ( 0.000 -0.000 -0.315) 0.315 6.279 ( 0.000 -0.000 -7.207) 7.207 6.616 ( 0.000 -0.000 -4.148) 4.148 6.735 ( 0.000 0.000 13.798) 13.798 6.978 ( 0.000 0.000 11.724) 11.724 7.685 ( 0.000 0.000 1.568) 1.568 7.800 ( 0.000 -0.000 -14.817) 14.817 8.140 ( 0.000 -0.000 -12.015) 12.015 8.258 ( 0.000 -0.000 -13.432) 13.432 8.717 ( 0.000 0.000 0.217) 0.217 9.387 ( 0.000 -0.000 -0.741) 0.741 9.958 ( 0.000 0.000 0.767) 0.767 10.332 ( 0.000 0.000 9.450) 9.450 10.951 ( 0.000 -0.000 -3.649) 3.649 11.391 ( 0.000 0.000 4.253) 4.253 11.643 ( 0.000 -0.000 -13.409) 13.409 11.807 ( 0.000 -0.000 -8.858) 8.858 13.595 ( 0.000 0.000 11.415) 11.415 13.650 ( 0.000 0.000 11.923) 11.923 15.262 ( 0.000 -0.000 -6.588) 6.588 15.270 ( 0.000 -0.000 -1.699) 1.699 15.317 ( 0.000 -0.000 -8.194) 8.194 15.457 ( 0.000 -0.000 -3.167) 3.167 18.817 ( 0.000 -0.000 -0.026) 0.026 18.833 ( 0.000 0.000 0.872) 0.872 22.387 ( 0.000 -0.000 -0.816) 0.816 22.398 ( 0.000 -0.000 -1.700) 1.700 24.514 ( 0.000 0.000 1.848) 1.848 24.515 ( 0.000 0.000 1.778) 1.778 32.489 ( 0.000 0.000 0.023) 0.023 32.494 ( 0.000 -0.000 -0.444) 0.444 42.774 ( 0.000 -0.000 -4.655) 4.655 42.811 ( 0.000 -0.000 -7.544) 7.544 45.871 ( 0.000 -0.000 -3.524) 3.524 45.933 ( 0.000 -0.000 -4.921) 4.921 ======================= Grid point 193 (90/128) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 11.345 -0.000 -9.329) 14.688 2.106 ( -18.187 -0.000 -9.839) 20.678 3.165 ( 7.473 0.000 6.990) 10.233 3.176 ( 4.890 -0.000 -0.215) 4.894 3.396 ( 6.570 0.000 13.709) 15.202 3.501 ( -0.765 0.000 8.078) 8.114 3.674 ( -4.468 0.000 2.229) 4.994 3.735 ( -10.799 0.000 13.447) 17.247 4.246 ( 8.443 0.000 12.659) 15.216 4.426 ( -7.901 0.000 9.972) 12.723 4.911 ( 9.272 -0.000 -1.452) 9.385 5.075 ( -4.132 -0.000 -0.732) 4.196 5.311 ( 0.664 -0.000 -0.760) 1.009 5.374 ( -3.606 -0.000 -0.450) 3.634 6.376 ( 7.359 -0.000 -4.019) 8.385 6.536 ( -6.025 -0.000 -0.715) 6.067 6.816 ( 5.519 0.000 9.863) 11.302 6.931 ( -4.065 0.000 10.678) 11.426 7.696 ( 1.393 -0.000 -2.371) 2.750 7.753 ( -3.312 -0.000 -10.600) 11.105 8.167 ( 2.354 -0.000 -11.241) 11.485 8.230 ( -2.658 -0.000 -11.078) 11.393 8.857 ( 12.150 -0.000 -3.412) 12.620 9.184 ( -14.967 -0.000 -3.441) 15.357 10.070 ( 7.980 0.000 3.643) 8.772 10.247 ( -6.928 0.000 7.658) 10.326 11.069 ( 9.144 -0.000 -1.325) 9.240 11.280 ( -8.528 0.000 1.798) 8.715 11.709 ( 4.232 -0.000 -10.961) 11.750 11.784 ( -2.201 -0.000 -9.377) 9.632 13.609 ( 1.142 0.000 11.508) 11.565 13.637 ( -1.105 0.000 11.766) 11.817 15.250 ( -0.518 -0.000 -5.625) 5.649 15.254 ( -0.575 -0.000 -6.709) 6.733 15.369 ( 3.200 -0.000 -4.292) 5.354 15.432 ( -2.188 -0.000 -3.137) 3.825 18.821 ( 0.311 0.000 0.201) 0.370 18.829 ( -0.320 0.000 0.650) 0.725 22.390 ( 0.218 -0.000 -1.038) 1.060 22.395 ( -0.214 -0.000 -1.479) 1.495 24.514 ( 0.026 0.000 1.830) 1.830 24.515 ( -0.025 0.000 1.796) 1.796 32.490 ( 0.088 -0.000 -0.092) 0.127 32.493 ( -0.092 -0.000 -0.326) 0.338 42.784 ( 0.761 -0.000 -5.379) 5.433 42.802 ( -0.756 -0.000 -6.823) 6.865 45.887 ( 1.273 -0.000 -3.878) 4.081 45.918 ( -1.269 -0.000 -4.576) 4.749 ======================= Grid point 195 (91/128) ======================= q-point: ( 0.00 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 4.690 4.821) 6.726 2.285 ( 0.000 10.449 -5.104) 11.629 3.018 ( 0.000 -1.828 -3.414) 3.873 3.158 ( 0.000 1.002 6.325) 6.404 3.516 ( 0.000 -5.271 9.653) 10.998 3.628 ( 0.000 -2.905 6.483) 7.104 3.737 ( 0.000 -3.263 0.698) 3.337 4.177 ( 0.000 -4.248 9.335) 10.256 4.222 ( 0.000 -5.293 6.862) 8.667 4.648 ( 0.000 -6.866 7.885) 10.455 4.730 ( 0.000 -0.040 -0.999) 0.999 5.121 ( 0.000 5.178 -1.948) 5.532 5.297 ( 0.000 -0.144 -0.376) 0.402 5.436 ( 0.000 9.060 -4.490) 10.112 6.206 ( 0.000 -3.535 1.381) 3.795 6.560 ( 0.000 4.756 -4.968) 6.877 6.914 ( 0.000 -9.259 10.364) 13.898 7.155 ( 0.000 0.220 8.246) 8.249 7.523 ( 0.000 -2.505 -11.898) 12.159 7.728 ( 0.000 2.400 -0.611) 2.477 7.874 ( 0.000 -4.193 -13.133) 13.786 8.103 ( 0.000 11.759 -12.105) 16.876 8.803 ( 0.000 4.869 5.954) 7.691 9.335 ( 0.000 -0.398 -4.782) 4.799 10.015 ( 0.000 2.064 4.254) 4.728 10.502 ( 0.000 -0.543 9.399) 9.415 10.940 ( 0.000 -1.465 2.495) 2.894 11.435 ( 0.000 3.263 -11.597) 12.048 11.438 ( 0.000 -8.007 3.596) 8.778 11.710 ( 0.000 8.552 -4.866) 9.840 13.764 ( 0.000 -3.305 9.076) 9.659 13.828 ( 0.000 -4.070 10.027) 10.821 15.109 ( 0.000 -7.005 -2.317) 7.379 15.166 ( 0.000 -5.686 -3.353) 6.601 15.286 ( 0.000 8.669 -5.035) 10.025 15.431 ( 0.000 7.225 -5.534) 9.100 18.808 ( 0.000 -3.368 2.095) 3.966 18.888 ( 0.000 3.517 2.082) 4.087 22.343 ( 0.000 -2.477 -1.429) 2.859 22.396 ( 0.000 2.634 -1.510) 3.036 24.514 ( 0.000 -3.204 1.851) 3.700 24.577 ( 0.000 2.933 1.762) 3.422 32.484 ( 0.000 -0.426 -0.060) 0.430 32.494 ( 0.000 0.470 -0.118) 0.485 42.692 ( 0.000 -1.535 -3.510) 3.831 42.731 ( 0.000 2.180 -3.492) 4.117 45.603 ( 0.000 -18.525 -7.787) 20.096 45.975 ( 0.000 16.984 -8.704) 19.084 ======================= Grid point 196 (92/128) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 4.627 -0.813 2.593) 5.366 2.082 ( -12.221 16.333 -3.253) 20.656 3.143 ( 8.748 -1.686 -1.897) 9.109 3.251 ( 2.554 0.243 2.975) 3.929 3.549 ( 0.897 -6.090 7.290) 9.541 3.626 ( 0.409 -0.196 5.879) 5.897 3.693 ( 0.780 -5.819 3.854) 7.023 3.940 ( -12.177 -0.886 7.567) 14.364 4.387 ( 6.784 -9.867 8.200) 14.513 4.566 ( -4.962 -5.738 8.857) 11.662 4.856 ( 7.131 -2.020 -0.319) 7.418 5.111 ( -2.813 9.409 -1.687) 9.964 5.269 ( 0.148 -0.589 -1.516) 1.633 5.385 ( -3.351 8.009 -4.647) 9.847 6.319 ( 7.197 -5.089 1.003) 8.871 6.538 ( -2.523 4.895 -1.190) 5.634 6.939 ( 1.971 -9.410 7.561) 12.231 7.125 ( -1.967 1.311 9.831) 10.112 7.536 ( 1.355 -1.830 -10.878) 11.113 7.634 ( -4.955 -0.041 -5.084) 7.100 7.971 ( 5.351 1.235 -10.346) 11.713 8.093 ( -1.617 9.978 -11.114) 15.024 8.861 ( 6.967 2.875 1.905) 7.774 9.124 ( -14.543 0.708 -3.567) 14.991 10.163 ( 10.573 1.126 6.025) 12.221 10.396 ( -8.749 0.186 8.384) 12.119 11.072 ( 9.482 -2.638 2.017) 10.046 11.306 ( -7.579 -1.498 2.322) 8.067 11.525 ( 3.138 -2.125 -9.242) 9.989 11.688 ( -1.463 8.414 -5.102) 9.948 13.780 ( 1.346 -3.489 9.358) 10.078 13.813 ( -1.290 -3.873 9.833) 10.647 15.094 ( -0.730 -6.037 -3.562) 7.048 15.151 ( -0.764 -3.890 -3.113) 5.041 15.324 ( 2.103 5.315 -4.787) 7.456 15.420 ( -0.814 7.825 -4.911) 9.274 18.809 ( 0.084 -3.516 2.139) 4.117 18.886 ( -0.091 3.665 2.041) 4.196 22.343 ( 0.013 -2.459 -1.416) 2.838 22.395 ( -0.009 2.616 -1.520) 3.025 24.514 ( 0.001 -3.204 1.851) 3.700 24.577 ( 0.000 2.933 1.762) 3.422 32.485 ( 0.011 -0.416 -0.034) 0.417 32.493 ( -0.014 0.460 -0.144) 0.482 42.693 ( 0.018 -1.511 -3.512) 3.823 42.731 ( -0.015 2.157 -3.493) 4.105 45.604 ( 0.048 -18.615 -7.826) 20.193 45.974 ( -0.047 17.073 -8.666) 19.147 ======================= Grid point 198 (93/128) ======================= q-point: ( 0.00 -0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 11.827 15.448) 19.456 2.403 ( 0.000 15.958 2.502) 16.153 2.940 ( 0.000 -3.705 -2.456) 4.446 3.243 ( 0.000 0.933 2.005) 2.211 3.515 ( 0.000 -11.139 0.057) 11.139 3.673 ( 0.000 -6.709 3.797) 7.709 3.719 ( 0.000 -2.318 1.174) 2.598 4.104 ( 0.000 -13.744 -5.748) 14.898 4.224 ( 0.000 -8.179 1.904) 8.398 4.699 ( 0.000 -7.083 5.051) 8.699 4.754 ( 0.000 0.236 3.628) 3.636 5.131 ( 0.000 5.195 -3.075) 6.037 5.334 ( 0.000 2.726 2.495) 3.696 5.442 ( 0.000 7.426 -4.393) 8.628 6.239 ( 0.000 -4.243 5.663) 7.076 6.567 ( 0.000 8.180 -0.937) 8.233 6.867 ( 0.000 -15.481 -1.029) 15.515 7.162 ( 0.000 -10.599 -3.982) 11.323 7.343 ( 0.000 1.714 -8.137) 8.315 7.746 ( 0.000 0.237 1.743) 1.759 7.757 ( 0.000 8.214 -0.004) 8.214 8.075 ( 0.000 14.884 -6.722) 16.332 8.968 ( 0.000 4.720 4.864) 6.778 9.237 ( 0.000 1.732 -5.432) 5.701 10.131 ( 0.000 5.177 4.398) 6.793 10.618 ( 0.000 -0.103 4.080) 4.081 10.957 ( 0.000 -5.373 2.048) 5.750 11.355 ( 0.000 -9.230 -0.728) 9.259 11.369 ( 0.000 9.938 -2.204) 10.179 11.821 ( 0.000 10.296 4.567) 11.263 13.807 ( 0.000 -6.364 1.110) 6.460 13.876 ( 0.000 -7.977 2.031) 8.232 15.075 ( 0.000 -3.712 5.137) 6.337 15.133 ( 0.000 -3.861 5.759) 6.934 15.277 ( 0.000 7.482 -5.425) 9.241 15.407 ( 0.000 8.222 -6.195) 10.294 18.826 ( 0.000 -2.743 3.594) 4.521 18.968 ( 0.000 3.488 2.950) 4.568 22.293 ( 0.000 -2.329 -1.570) 2.809 22.396 ( 0.000 2.611 -1.564) 3.044 24.513 ( 0.000 -3.173 1.822) 3.659 24.632 ( 0.000 2.363 1.419) 2.757 32.480 ( 0.000 -0.273 -0.053) 0.278 32.497 ( 0.000 0.518 -0.074) 0.523 42.641 ( 0.000 -0.071 -1.312) 1.314 42.717 ( 0.000 3.147 -1.394) 3.441 45.263 ( 0.000 -17.585 -9.949) 20.204 45.956 ( 0.000 14.898 -12.291) 19.314 ======================= Grid point 199 (94/128) ======================= q-point: ( 0.33 -0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -1.162 8.343 14.125) 16.446 2.290 ( -6.122 20.633 4.486) 21.985 3.086 ( 10.649 -3.086 -1.652) 11.209 3.280 ( -2.214 -0.656 0.755) 2.430 3.547 ( 3.698 -8.239 -1.017) 9.088 3.645 ( -2.217 -7.294 0.910) 7.678 3.685 ( 0.184 -5.908 3.748) 6.999 3.925 ( -10.041 -8.141 -3.915) 13.506 4.354 ( 6.862 -11.841 2.293) 13.876 4.577 ( -6.118 -8.522 1.570) 10.608 4.923 ( 8.507 0.131 7.637) 11.432 5.174 ( 1.380 7.701 -2.298) 8.154 5.275 ( -2.881 1.439 2.227) 3.915 5.371 ( -4.487 7.505 -5.900) 10.548 6.311 ( 3.986 -4.467 3.571) 6.971 6.595 ( 1.326 5.228 1.258) 5.539 6.873 ( 0.651 -14.131 -1.127) 14.191 7.095 ( -3.287 -12.972 -6.914) 15.063 7.457 ( 7.354 5.076 -3.303) 9.527 7.624 ( -6.497 7.824 3.306) 10.693 7.856 ( 4.035 4.385 -5.787) 8.306 8.067 ( -1.051 13.343 -5.253) 14.379 8.943 ( 0.486 2.978 2.308) 3.799 9.085 ( -9.798 2.470 -1.903) 10.282 10.277 ( 10.797 3.354 3.928) 11.969 10.514 ( -8.729 1.012 4.189) 9.735 11.050 ( 5.497 -5.249 0.717) 7.634 11.311 ( -2.592 -8.190 -1.647) 8.747 11.437 ( 3.824 9.059 1.736) 9.985 11.770 ( -3.302 10.144 2.545) 10.968 13.824 ( 1.337 -6.888 1.161) 7.112 13.861 ( -1.217 -7.476 1.979) 7.828 15.055 ( -0.948 -2.795 4.891) 5.713 15.124 ( -0.565 -3.264 4.723) 5.769 15.302 ( 1.346 6.715 -4.727) 8.321 15.407 ( -0.076 7.519 -5.562) 9.353 18.827 ( 0.051 -2.792 3.597) 4.553 18.967 ( -0.056 3.537 2.949) 4.606 22.294 ( 0.057 -2.292 -1.522) 2.752 22.395 ( -0.051 2.574 -1.610) 3.036 24.513 ( 0.001 -3.173 1.823) 3.659 24.632 ( 0.000 2.364 1.419) 2.757 32.481 ( 0.058 -0.264 0.003) 0.270 32.496 ( -0.062 0.509 -0.130) 0.529 42.643 ( 0.102 -0.029 -1.221) 1.226 42.715 ( -0.098 3.108 -1.484) 3.445 45.263 ( 0.010 -17.595 -9.959) 20.218 45.956 ( -0.009 14.908 -12.281) 19.315 ======================= Grid point 201 (95/128) ======================= q-point: ( 0.00 -0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.000 13.649 16.486) 21.403 2.665 ( 0.000 16.444 7.731) 18.171 2.854 ( 0.000 -6.221 -1.730) 6.457 3.174 ( 0.000 -6.766 -9.226) 11.441 3.390 ( 0.000 -8.113 1.050) 8.181 3.625 ( 0.000 -8.960 -0.220) 8.962 3.704 ( 0.000 -4.924 -2.928) 5.729 3.798 ( 0.000 -13.147 -7.523) 15.148 4.124 ( 0.000 -7.397 -4.396) 8.605 4.653 ( 0.000 -4.977 -2.751) 5.687 4.843 ( 0.000 -3.496 7.627) 8.390 5.123 ( 0.000 2.215 -2.054) 3.020 5.366 ( 0.000 3.337 -4.271) 5.421 5.471 ( 0.000 -1.844 5.068) 5.393 6.288 ( 0.000 -1.314 3.651) 3.880 6.597 ( 0.000 -15.584 -10.317) 18.689 6.683 ( 0.000 5.290 4.385) 6.871 6.887 ( 0.000 -14.037 -10.623) 17.604 7.282 ( 0.000 5.377 -2.825) 6.074 7.815 ( 0.000 2.094 5.231) 5.635 7.946 ( 0.000 11.748 7.019) 13.685 8.163 ( 0.000 13.547 -0.634) 13.562 8.951 ( 0.000 -1.530 -6.644) 6.818 9.288 ( 0.000 6.790 4.333) 8.055 10.256 ( 0.000 8.761 1.584) 8.903 10.642 ( 0.000 3.252 -2.804) 4.294 10.922 ( 0.000 -2.487 0.208) 2.495 11.270 ( 0.000 -5.721 0.347) 5.732 11.547 ( 0.000 11.095 8.724) 14.114 12.032 ( 0.000 7.422 8.646) 11.394 13.685 ( 0.000 -7.090 -6.225) 9.435 13.749 ( 0.000 -8.667 -5.860) 10.462 15.186 ( 0.000 1.102 6.916) 7.003 15.259 ( 0.000 1.692 -0.954) 1.943 15.272 ( 0.000 -0.594 11.413) 11.429 15.393 ( 0.000 6.886 -3.660) 7.798 18.876 ( 0.000 -1.490 4.658) 4.890 19.056 ( 0.000 3.356 3.133) 4.591 22.241 ( 0.000 -2.307 -1.613) 2.815 22.393 ( 0.000 2.436 -1.808) 3.034 24.513 ( 0.000 -3.035 1.831) 3.545 24.672 ( 0.000 1.570 0.778) 1.752 32.476 ( 0.000 -0.083 -0.171) 0.190 32.501 ( 0.000 0.626 -0.121) 0.638 42.649 ( 0.000 2.631 0.735) 2.731 42.747 ( 0.000 4.807 0.250) 4.813 44.917 ( 0.000 -16.023 -9.773) 18.769 45.855 ( 0.000 12.142 -15.457) 19.656 ======================= Grid point 202 (96/128) ======================= q-point: ( 0.33 -0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -3.727 10.873 15.255) 19.100 2.621 ( -2.255 19.190 9.273) 21.432 3.030 ( 12.271 -4.155 -0.435) 12.963 3.247 ( 0.636 -5.125 -5.615) 7.628 3.339 ( -2.097 -10.311 -5.038) 11.666 3.563 ( -4.559 -10.735 -4.256) 12.416 3.652 ( -2.069 -6.273 -2.176) 6.955 3.729 ( -3.595 -9.473 -1.690) 10.273 4.238 ( 7.823 -8.006 -3.948) 11.869 4.476 ( -9.297 -6.815 -3.815) 12.142 5.059 ( 11.597 -3.030 8.412) 14.644 5.178 ( 3.648 2.442 -2.621) 5.113 5.322 ( -3.240 3.826 -4.264) 6.582 5.370 ( -7.582 -1.537 5.201) 9.322 6.339 ( 2.810 -1.683 2.812) 4.317 6.582 ( -0.385 -14.742 -5.886) 15.878 6.713 ( 1.706 1.395 -0.990) 2.416 6.800 ( -4.580 -13.032 -9.293) 16.648 7.461 ( 11.566 6.895 -2.035) 13.619 7.741 ( -6.375 5.932 -0.556) 8.726 7.952 ( 0.281 10.366 8.070) 13.141 8.168 ( 0.086 12.182 0.794) 12.208 8.950 ( 1.995 0.440 -2.070) 2.909 9.144 ( -9.603 4.710 3.158) 11.152 10.360 ( 7.864 6.736 -0.020) 10.354 10.556 ( -6.880 4.300 -2.156) 8.395 11.026 ( 7.262 -2.041 0.895) 7.596 11.198 ( -5.494 -4.779 -1.139) 7.370 11.657 ( 7.188 9.347 10.408) 15.727 11.954 ( -5.665 8.125 7.364) 12.342 13.690 ( 0.291 -8.096 -6.675) 10.497 13.745 ( -0.246 -7.731 -5.473) 9.475 15.179 ( -0.324 0.811 8.421) 8.467 15.214 ( -1.428 1.026 4.093) 4.454 15.324 ( 1.829 2.142 4.150) 5.016 15.392 ( -0.201 5.116 -2.832) 5.851 18.876 ( 0.031 -1.509 4.651) 4.890 19.056 ( -0.035 3.374 3.137) 4.607 22.244 ( 0.145 -2.273 -1.525) 2.741 22.391 ( -0.137 2.404 -1.894) 3.063 24.513 ( 0.003 -3.034 1.832) 3.545 24.672 ( 0.001 1.571 0.778) 1.754 32.479 ( 0.137 -0.117 -0.070) 0.194 32.499 ( -0.143 0.656 -0.222) 0.708 42.653 ( 0.244 2.675 0.887) 2.829 42.743 ( -0.233 4.774 0.105) 4.781 44.917 ( 0.002 -16.023 -9.777) 18.770 45.855 ( -0.001 12.143 -15.453) 19.653 ======================= Grid point 204 (97/128) ======================= q-point: ( 0.00 -0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 0.000 4.916 4.979) 6.997 2.747 ( 0.000 -9.459 -1.866) 9.641 2.871 ( 0.000 -11.361 -12.057) 16.566 2.973 ( 0.000 12.384 9.388) 15.540 3.349 ( 0.000 -6.983 1.335) 7.110 3.364 ( 0.000 -10.395 -10.174) 14.545 3.580 ( 0.000 -4.494 -1.741) 4.820 3.716 ( 0.000 -5.835 1.260) 5.970 3.932 ( 0.000 -6.855 -8.995) 11.310 4.537 ( 0.000 -3.661 -4.825) 6.056 4.896 ( 0.000 -9.243 4.650) 10.347 5.117 ( 0.000 -1.242 1.137) 1.684 5.283 ( 0.000 -1.246 -5.913) 6.043 5.520 ( 0.000 -6.581 4.559) 8.005 6.245 ( 0.000 -14.302 -11.590) 18.409 6.356 ( 0.000 1.524 4.351) 4.610 6.551 ( 0.000 -12.929 -11.618) 17.382 6.756 ( 0.000 -1.327 1.170) 1.769 7.369 ( 0.000 10.632 3.073) 11.067 7.958 ( 0.000 5.156 5.896) 7.832 8.193 ( 0.000 11.141 7.338) 13.341 8.307 ( 0.000 11.415 2.337) 11.651 8.829 ( 0.000 -1.800 -3.692) 4.108 9.421 ( 0.000 4.854 3.159) 5.791 10.358 ( 0.000 12.075 -2.162) 12.267 10.608 ( 0.000 8.405 -7.200) 11.067 10.948 ( 0.000 2.862 3.007) 4.151 11.266 ( 0.000 -0.864 3.347) 3.457 11.853 ( 0.000 10.968 12.908) 16.938 12.250 ( 0.000 4.341 9.268) 10.234 13.486 ( 0.000 -5.443 -8.587) 10.167 13.534 ( 0.000 -6.575 -9.132) 11.253 15.190 ( 0.000 5.669 -6.997) 9.005 15.366 ( 0.000 10.153 -5.346) 11.474 15.379 ( 0.000 -7.328 13.605) 15.453 15.535 ( 0.000 -3.314 16.291) 16.625 18.954 ( 0.000 0.087 5.195) 5.196 19.140 ( 0.000 3.250 2.561) 4.138 22.192 ( 0.000 -2.292 -1.271) 2.621 22.379 ( 0.000 1.865 -2.453) 3.081 24.515 ( 0.000 -2.804 1.980) 3.433 24.689 ( 0.000 0.662 -0.133) 0.675 32.473 ( 0.000 0.174 -0.307) 0.353 32.505 ( 0.000 0.624 -0.275) 0.682 42.721 ( 0.000 6.437 2.292) 6.833 42.827 ( 0.000 7.704 1.816) 7.915 44.617 ( 0.000 -14.279 -6.579) 15.722 45.668 ( 0.000 8.572 -18.559) 20.443 ======================= Grid point 205 (98/128) ======================= q-point: ( 0.33 -0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -4.286 2.189 5.455) 7.275 2.884 ( 2.349 -8.969 -6.229) 11.170 2.961 ( 5.876 -2.556 -1.989) 6.709 3.017 ( 7.297 2.985 1.951) 8.122 3.247 ( -7.406 -6.958 -4.720) 11.205 3.342 ( -3.453 -2.394 -0.930) 4.304 3.545 ( -0.796 -7.422 -1.870) 7.695 3.655 ( -3.000 -7.440 -0.289) 8.027 4.067 ( 9.644 -6.337 -6.914) 13.452 4.327 ( -12.505 -5.811 -5.319) 14.779 5.078 ( 8.641 -6.351 -0.910) 10.762 5.163 ( 1.842 -5.158 0.675) 5.519 5.278 ( 2.338 0.507 -1.199) 2.676 5.434 ( -7.210 -5.446 5.308) 10.479 6.229 ( 0.564 -15.542 -10.728) 18.894 6.350 ( -3.069 -2.763 -5.570) 6.934 6.557 ( 1.957 -9.013 -0.682) 9.248 6.756 ( -0.192 0.043 1.377) 1.391 7.529 ( 12.513 9.693 0.255) 15.831 7.818 ( -11.356 7.783 1.678) 13.869 8.208 ( 0.622 9.773 7.986) 12.637 8.308 ( -0.216 9.245 2.114) 9.487 8.944 ( 10.401 1.319 1.155) 10.548 9.246 ( -13.239 3.784 3.336) 14.168 10.423 ( 4.973 11.261 -3.255) 12.733 10.546 ( -4.755 9.230 -6.396) 12.195 11.032 ( 5.378 0.138 1.836) 5.684 11.211 ( -3.922 1.876 4.060) 5.948 11.952 ( 7.102 8.984 12.335) 16.831 12.172 ( -6.056 5.777 9.240) 12.467 13.472 ( -0.611 -6.516 -8.967) 11.102 13.547 ( 0.582 -5.619 -8.729) 10.398 15.213 ( 1.864 5.601 -5.400) 8.000 15.288 ( -3.331 4.702 -1.972) 6.090 15.455 ( 3.169 -1.976 10.312) 10.967 15.515 ( -1.757 -3.158 14.648) 15.087 18.954 ( 0.013 0.070 5.185) 5.185 19.140 ( -0.027 3.257 2.560) 4.142 22.197 ( 0.252 -2.311 -1.152) 2.595 22.375 ( -0.239 1.894 -2.569) 3.201 24.516 ( 0.004 -2.803 1.981) 3.433 24.689 ( 0.002 0.664 -0.133) 0.677 32.476 ( 0.215 0.021 -0.170) 0.275 32.501 ( -0.229 0.760 -0.415) 0.896 42.730 ( 0.532 6.587 2.634) 7.114 42.819 ( -0.491 7.601 1.502) 7.764 44.617 ( 0.000 -14.279 -6.582) 15.723 45.668 ( 0.004 8.577 -18.555) 20.442 ======================= Grid point 207 (99/128) ======================= q-point: ( 0.00 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 0.000 -11.906 -13.965) 18.351 2.530 ( 0.000 -12.751 -8.600) 15.380 2.641 ( 0.000 -11.482 -2.026) 11.660 3.101 ( 0.000 -5.053 1.879) 5.391 3.280 ( 0.000 -9.611 0.742) 9.639 3.319 ( 0.000 1.904 2.071) 2.813 3.526 ( 0.000 1.281 0.903) 1.568 3.685 ( 0.000 -8.389 -10.321) 13.301 3.717 ( 0.000 1.031 2.371) 2.585 4.411 ( 0.000 -7.197 -4.038) 8.252 4.812 ( 0.000 -14.402 0.348) 14.406 5.121 ( 0.000 -5.230 2.185) 5.668 5.144 ( 0.000 -4.262 -6.990) 8.187 5.488 ( 0.000 -8.647 1.072) 8.713 5.949 ( 0.000 -11.375 -6.123) 12.918 6.249 ( 0.000 -10.254 -9.182) 13.764 6.462 ( 0.000 1.748 5.269) 5.551 6.731 ( 0.000 -1.565 -0.757) 1.738 7.565 ( 0.000 12.807 4.404) 13.543 8.079 ( 0.000 6.394 1.075) 6.484 8.387 ( 0.000 8.630 2.719) 9.049 8.495 ( 0.000 11.232 6.410) 12.932 8.811 ( 0.000 -1.206 2.408) 2.693 9.499 ( 0.000 4.294 1.616) 4.588 10.428 ( 0.000 14.630 -5.411) 15.599 10.587 ( 0.000 12.971 -7.631) 15.049 11.087 ( 0.000 8.308 6.373) 10.471 11.373 ( 0.000 4.888 6.561) 8.182 12.194 ( 0.000 11.720 12.711) 17.290 12.427 ( 0.000 1.503 7.480) 7.630 13.300 ( 0.000 -2.779 -7.732) 8.216 13.324 ( 0.000 -3.630 -8.639) 9.371 15.103 ( 0.000 1.315 -7.148) 7.268 15.375 ( 0.000 9.487 -5.006) 10.726 15.505 ( 0.000 -9.909 10.484) 14.426 15.781 ( 0.000 -2.826 14.955) 15.220 19.053 ( 0.000 1.598 5.071) 5.317 19.207 ( 0.000 3.168 1.240) 3.402 22.155 ( 0.000 -2.094 -0.266) 2.111 22.343 ( 0.000 0.774 -3.322) 3.411 24.525 ( 0.000 -2.522 2.330) 3.433 24.680 ( 0.000 -0.263 -1.233) 1.261 32.470 ( 0.000 0.441 -0.329) 0.550 32.504 ( 0.000 0.429 -0.466) 0.633 42.850 ( 0.000 9.799 2.608) 10.140 42.978 ( 0.000 13.561 3.440) 13.990 44.419 ( 0.000 -12.584 0.069) 12.584 45.386 ( 0.000 3.984 -21.585) 21.950 ======================= Grid point 208 (100/128) ======================= q-point: ( 0.33 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -1.204 -9.346 -7.293) 11.916 2.537 ( -0.238 -14.131 -11.274) 18.079 2.765 ( 7.971 -14.267 -5.347) 17.195 3.031 ( -5.362 -9.987 -0.211) 11.337 3.266 ( -0.005 -0.144 0.215) 0.259 3.382 ( 3.344 -1.405 2.212) 4.249 3.492 ( -1.905 2.844 1.840) 3.886 3.585 ( -4.101 -0.924 0.378) 4.221 3.886 ( 10.873 -6.930 -5.667) 14.084 4.181 ( -14.592 -7.510 -4.074) 16.909 4.945 ( 6.501 -12.667 -3.103) 14.572 5.052 ( -3.149 -9.877 -3.735) 11.019 5.278 ( 7.598 -2.837 1.148) 8.191 5.436 ( -4.540 -6.329 2.195) 8.092 5.905 ( -2.157 -14.261 -6.773) 15.935 6.156 ( -4.045 -4.717 -9.608) 11.442 6.573 ( 4.750 -2.454 5.374) 7.581 6.761 ( 1.717 -2.071 0.824) 2.813 7.671 ( 9.263 12.490 2.617) 15.769 7.931 ( -11.471 9.357 0.878) 14.830 8.400 ( 1.103 7.885 3.302) 8.619 8.441 ( -2.725 7.645 4.580) 9.319 9.003 ( 13.737 1.214 2.768) 14.065 9.342 ( -12.384 4.744 3.162) 13.634 10.466 ( 2.483 14.139 -7.038) 15.988 10.553 ( -2.247 14.214 -5.933) 15.565 11.130 ( 2.367 5.054 6.844) 8.831 11.352 ( -1.270 7.578 6.101) 9.812 12.250 ( 4.264 8.916 11.285) 15.001 12.375 ( -4.076 3.802 8.247) 9.954 13.272 ( -0.992 -3.710 -7.683) 8.589 13.351 ( 0.949 -2.819 -8.602) 9.101 15.150 ( 4.014 2.231 -6.386) 7.866 15.269 ( -6.128 4.144 -4.610) 8.717 15.612 ( 6.198 -4.800 10.641) 13.217 15.733 ( -4.103 -3.394 13.654) 14.655 19.052 ( -0.012 1.560 5.059) 5.294 19.206 ( -0.031 3.165 1.228) 3.395 22.162 ( 0.353 -2.221 -0.089) 2.250 22.338 ( -0.329 0.927 -3.499) 3.635 24.525 ( 0.006 -2.522 2.332) 3.435 24.680 ( 0.000 -0.266 -1.238) 1.266 32.474 ( 0.229 0.126 -0.177) 0.315 32.500 ( -0.263 0.699 -0.627) 0.976 42.874 ( 1.653 11.001 3.354) 11.620 42.956 ( -1.515 12.525 2.762) 12.916 44.419 ( 0.002 -12.585 0.081) 12.585 45.386 ( 0.016 4.019 -21.585) 21.956 ======================= Grid point 210 (101/128) ======================= q-point: ( 0.00 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 -16.746 -12.681) 21.006 2.283 ( 0.000 -13.439 -4.328) 14.119 2.487 ( 0.000 -13.686 -1.044) 13.726 3.061 ( 0.000 -8.846 2.525) 9.200 3.194 ( 0.000 -12.607 2.778) 12.909 3.219 ( 0.000 -9.112 -4.775) 10.288 3.413 ( 0.000 -10.734 -9.522) 14.349 3.663 ( 0.000 5.826 4.484) 7.352 3.794 ( 0.000 4.390 3.027) 5.333 4.224 ( 0.000 -12.951 -5.821) 14.199 4.634 ( 0.000 -19.195 -0.721) 19.209 4.956 ( 0.000 -8.557 -6.580) 10.794 5.073 ( 0.000 -8.285 0.432) 8.297 5.415 ( 0.000 -5.355 -0.114) 5.356 5.828 ( 0.000 -7.907 2.443) 8.276 6.031 ( 0.000 -5.698 -6.483) 8.631 6.539 ( 0.000 -0.614 2.550) 2.623 6.745 ( 0.000 4.468 1.164) 4.617 7.741 ( 0.000 11.858 0.948) 11.896 8.163 ( 0.000 8.185 1.075) 8.255 8.490 ( 0.000 7.532 0.338) 7.540 8.718 ( 0.000 10.000 5.803) 11.562 8.822 ( 0.000 -1.819 -0.261) 1.838 9.609 ( 0.000 7.534 4.337) 8.693 10.482 ( 0.000 15.613 -5.512) 16.557 10.611 ( 0.000 14.882 -5.808) 15.975 11.319 ( 0.000 14.421 6.173) 15.687 11.570 ( 0.000 10.034 6.401) 11.902 12.516 ( 0.000 13.340 9.347) 16.289 12.534 ( 0.000 -0.795 4.390) 4.461 13.168 ( 0.000 -0.657 -5.425) 5.464 13.178 ( 0.000 -1.342 -5.082) 5.256 14.977 ( 0.000 -3.382 -5.713) 6.639 15.390 ( 0.000 8.353 -3.552) 9.077 15.523 ( 0.000 -13.588 5.228) 14.559 15.971 ( 0.000 -2.060 9.410) 9.633 19.156 ( 0.000 2.668 4.211) 4.985 19.244 ( 0.000 3.062 -0.633) 3.127 22.145 ( 0.000 -1.544 1.232) 1.976 22.282 ( 0.000 -0.709 -3.669) 3.737 24.545 ( 0.000 -2.231 2.811) 3.588 24.642 ( 0.000 -1.127 -2.334) 2.592 32.472 ( 0.000 0.681 -0.094) 0.688 32.497 ( 0.000 0.063 -0.559) 0.562 42.999 ( 0.000 11.772 1.756) 11.902 43.225 ( 0.000 22.519 3.552) 22.798 44.382 ( 0.000 -10.702 9.910) 14.585 45.007 ( 0.000 -1.608 -23.398) 23.453 ======================= Grid point 211 (102/128) ======================= q-point: ( 0.33 -0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 4.947 -15.291 -9.377) 18.607 2.265 ( -4.457 -12.016 -5.773) 14.057 2.564 ( 8.296 -17.046 -0.500) 18.965 2.880 ( -11.109 -15.626 -1.721) 19.249 3.184 ( 1.333 -6.504 -1.599) 6.829 3.293 ( 0.546 -6.910 -3.879) 7.943 3.554 ( 9.827 -6.934 -0.124) 12.028 3.679 ( -0.140 4.200 6.212) 7.500 3.775 ( 1.248 0.208 -1.364) 1.861 4.020 ( -13.524 -8.732 -4.820) 16.805 4.719 ( 4.882 -19.528 -3.420) 20.417 4.838 ( -5.143 -15.628 -5.450) 17.332 5.263 ( 9.480 -3.394 1.147) 10.134 5.406 ( -1.307 -3.329 0.844) 3.674 5.745 ( -4.872 -9.375 1.978) 10.749 5.955 ( -3.949 -4.118 -8.545) 10.275 6.633 ( 5.278 -1.813 3.417) 6.544 6.759 ( 0.101 -0.311 0.748) 0.817 7.838 ( 8.155 13.024 0.898) 15.393 8.050 ( -9.044 11.485 0.756) 14.638 8.515 ( 2.065 6.279 2.350) 7.015 8.603 ( -4.672 6.756 4.238) 9.243 9.043 ( 12.934 1.410 1.609) 13.110 9.446 ( -11.907 7.597 0.718) 14.143 10.509 ( 1.398 15.320 -3.900) 15.870 10.614 ( 0.111 15.935 -5.427) 16.834 11.359 ( 2.360 11.692 8.732) 14.782 11.547 ( -1.474 11.937 3.891) 12.642 12.510 ( -0.220 8.009 7.499) 10.974 12.529 ( -0.354 4.116 5.886) 7.191 13.144 ( -0.769 -1.336 -3.944) 4.234 13.202 ( 0.780 -0.750 -6.403) 6.494 15.046 ( 5.939 -2.096 -5.210) 8.173 15.220 ( -9.139 0.435 -3.655) 9.852 15.704 ( 9.934 -5.495 5.875) 12.783 15.895 ( -6.570 -3.038 8.419) 11.103 19.155 ( -0.051 2.588 4.215) 4.946 19.243 ( -0.056 3.041 -0.663) 3.113 22.153 ( 0.513 -1.821 1.646) 2.508 22.274 ( -0.468 -0.375 -4.085) 4.129 24.546 ( 0.013 -2.228 2.827) 3.599 24.641 ( -0.016 -1.152 -2.357) 2.624 32.474 ( 0.151 0.227 0.060) 0.279 32.494 ( -0.232 0.426 -0.725) 0.872 43.058 ( 4.594 14.768 2.427) 15.655 43.173 ( -4.215 19.975 2.961) 20.629 44.383 ( 0.069 -10.622 10.058) 14.629 45.008 ( 0.032 -1.495 -23.482) 23.530 ======================= Grid point 213 (103/128) ======================= q-point: ( 0.00 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 -18.793 0.000) 18.793 2.096 ( 0.000 -16.692 0.000) 16.692 2.336 ( 0.000 -13.484 0.000) 13.484 2.997 ( 0.000 -11.565 0.000) 11.565 3.068 ( 0.000 -7.661 0.000) 7.661 3.072 ( 0.000 -21.827 0.000) 21.827 3.212 ( 0.000 -5.850 0.000) 5.850 3.659 ( 0.000 -17.093 0.000) 17.093 3.923 ( 0.000 9.724 -0.000) 9.724 4.025 ( 0.000 -4.213 0.000) 4.213 4.410 ( 0.000 -22.810 0.000) 22.810 4.782 ( 0.000 -12.944 0.000) 12.944 4.980 ( 0.000 -9.906 0.000) 9.906 5.383 ( 0.000 -1.667 0.000) 1.667 5.769 ( 0.000 -11.523 0.000) 11.523 5.959 ( 0.000 4.189 -0.000) 4.189 6.560 ( 0.000 1.899 -0.000) 1.899 6.825 ( 0.000 6.919 -0.000) 6.919 7.859 ( 0.000 11.562 -0.000) 11.562 8.268 ( 0.000 8.313 -0.000) 8.313 8.563 ( 0.000 6.425 -0.000) 6.425 8.798 ( 0.000 0.295 -0.000) 0.295 8.868 ( 0.000 8.506 -0.000) 8.506 9.747 ( 0.000 8.515 -0.000) 8.515 10.587 ( 0.000 15.690 -0.000) 15.690 10.711 ( 0.000 15.648 -0.000) 15.648 11.557 ( 0.000 20.062 -0.000) 20.062 11.753 ( 0.000 13.146 -0.000) 13.146 12.555 ( 0.000 -2.990 0.000) 2.990 12.758 ( 0.000 15.155 -0.000) 15.155 13.108 ( 0.000 -0.438 0.000) 0.438 13.125 ( 0.000 -0.790 0.000) 0.790 14.865 ( 0.000 -7.157 0.000) 7.157 15.409 ( 0.000 -16.990 0.000) 16.990 15.437 ( 0.000 7.747 -0.000) 7.747 16.040 ( 0.000 -1.531 0.000) 1.531 19.242 ( 0.000 3.102 -0.000) 3.102 19.250 ( 0.000 2.913 -0.000) 2.913 22.155 ( 0.000 -0.710 0.000) 0.710 22.222 ( 0.000 -2.045 0.000) 2.045 24.568 ( 0.000 -2.230 0.000) 2.230 24.586 ( 0.000 -1.612 0.000) 1.612 32.481 ( 0.000 0.761 -0.000) 0.761 32.488 ( 0.000 -0.166 0.000) 0.166 43.144 ( 0.000 13.146 -0.000) 13.146 43.537 ( 0.000 31.309 -0.000) 31.309 44.514 ( 0.000 -8.972 0.000) 8.972 44.609 ( 0.000 -6.103 0.000) 6.103 ======================= Grid point 214 (104/128) ======================= q-point: ( 0.33 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 8.783 -16.552 0.000) 18.738 2.090 ( -6.227 -12.556 0.000) 14.015 2.374 ( 9.305 -19.540 0.000) 21.642 2.684 ( -15.835 -18.438 0.000) 24.304 3.108 ( 3.881 -6.862 0.000) 7.883 3.181 ( -2.229 -6.907 0.000) 7.258 3.411 ( 15.397 -16.186 0.000) 22.340 3.647 ( -3.302 -20.148 0.000) 20.417 3.875 ( -3.050 9.380 -0.000) 9.863 3.911 ( -6.643 4.264 -0.000) 7.894 4.463 ( 4.213 -22.966 0.000) 23.349 4.595 ( -8.206 -19.955 0.000) 21.577 5.240 ( 13.269 -3.430 0.000) 13.705 5.401 ( -0.403 -0.027 0.000) 0.404 5.712 ( -2.044 -10.173 0.000) 10.377 5.819 ( -9.570 -0.087 0.000) 9.570 6.651 ( 6.631 0.796 -0.000) 6.678 6.783 ( -4.149 3.079 -0.000) 5.167 7.974 ( 8.962 12.897 -0.000) 15.705 8.179 ( -7.797 11.827 -0.000) 14.166 8.599 ( 2.930 4.618 -0.000) 5.469 8.684 ( -4.757 2.895 -0.000) 5.568 9.119 ( 16.613 7.116 -0.000) 18.073 9.522 ( -17.250 8.546 -0.000) 19.251 10.652 ( 3.895 15.667 -0.000) 16.144 10.706 ( -0.887 15.681 -0.000) 15.706 11.608 ( 4.061 17.427 -0.000) 17.894 11.705 ( -3.917 13.901 -0.000) 14.442 12.597 ( 3.683 1.559 -0.000) 3.999 12.699 ( -4.594 10.512 -0.000) 11.472 13.114 ( 0.411 -0.615 0.000) 0.740 13.122 ( -0.271 -0.713 0.000) 0.763 14.953 ( 7.389 -5.795 0.000) 9.390 15.163 ( -10.943 -4.819 0.000) 11.957 15.704 ( 12.487 -3.765 0.000) 13.042 15.944 ( -8.294 -2.401 0.000) 8.635 19.242 ( 0.050 2.971 -0.000) 2.971 19.246 ( -0.249 2.866 -0.000) 2.876 22.173 ( 1.410 -0.987 0.000) 1.722 22.206 ( -1.322 -1.658 0.000) 2.120 24.572 ( 0.346 -2.108 0.000) 2.137 24.581 ( -0.379 -1.803 0.000) 1.842 32.481 ( 0.070 0.454 -0.000) 0.459 32.485 ( -0.225 -0.013 0.000) 0.226 43.250 ( 8.416 18.141 -0.000) 19.998 43.445 ( -7.653 27.052 -0.000) 28.114 44.542 ( 2.132 -7.778 0.000) 8.065 44.589 ( -1.717 -6.441 0.000) 6.666 ======================= Grid point 240 (105/128) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 0.000 14.953) 14.953 2.226 ( 0.000 0.000 4.581) 4.581 2.979 ( 0.000 -0.000 -1.963) 1.963 3.229 ( 0.000 0.000 2.499) 2.499 3.639 ( 0.000 0.000 0.252) 0.252 3.730 ( 0.000 0.000 3.742) 3.742 3.743 ( 0.000 -0.000 -1.120) 1.120 4.276 ( 0.000 -0.000 -3.199) 3.199 4.313 ( 0.000 -0.000 -0.223) 0.223 4.752 ( 0.000 0.000 4.800) 4.800 4.781 ( 0.000 0.000 2.333) 2.333 5.067 ( 0.000 -0.000 -0.961) 0.961 5.291 ( 0.000 -0.000 -4.346) 4.346 5.351 ( 0.000 0.000 6.177) 6.177 6.325 ( 0.000 0.000 9.424) 9.424 6.439 ( 0.000 -0.000 -5.218) 5.218 7.128 ( 0.000 0.000 4.219) 4.219 7.199 ( 0.000 -0.000 -3.141) 3.141 7.317 ( 0.000 -0.000 -10.098) 10.098 7.723 ( 0.000 -0.000 -6.397) 6.397 7.758 ( 0.000 0.000 2.797) 2.797 7.844 ( 0.000 -0.000 -6.132) 6.132 8.912 ( 0.000 0.000 8.858) 8.858 9.220 ( 0.000 -0.000 -8.107) 8.107 10.076 ( 0.000 0.000 3.601) 3.601 10.619 ( 0.000 0.000 2.842) 2.842 11.062 ( 0.000 0.000 9.604) 9.604 11.219 ( 0.000 -0.000 -10.232) 10.232 11.522 ( 0.000 -0.000 -6.697) 6.697 11.644 ( 0.000 0.000 10.680) 10.680 13.875 ( 0.000 0.000 0.925) 0.925 13.964 ( 0.000 0.000 1.988) 1.988 15.146 ( 0.000 -0.000 -4.440) 4.440 15.163 ( 0.000 0.000 4.019) 4.019 15.197 ( 0.000 0.000 4.475) 4.475 15.296 ( 0.000 -0.000 -5.573) 5.573 18.879 ( 0.000 0.000 3.155) 3.155 18.907 ( 0.000 0.000 3.069) 3.069 22.342 ( 0.000 -0.000 -1.589) 1.589 22.343 ( 0.000 -0.000 -1.465) 1.465 24.576 ( 0.000 0.000 1.657) 1.657 24.577 ( 0.000 0.000 1.710) 1.710 32.485 ( 0.000 -0.000 -0.136) 0.136 32.489 ( 0.000 -0.000 -0.093) 0.093 42.658 ( 0.000 -0.000 -1.971) 1.971 42.669 ( 0.000 -0.000 -1.694) 1.694 45.610 ( 0.000 -0.000 -10.701) 10.701 45.637 ( 0.000 -0.000 -11.505) 11.505 ======================= Grid point 241 (106/128) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 5.407 0.000 12.699) 13.802 2.031 ( -13.332 0.000 7.554) 15.323 3.118 ( 10.233 -0.000 -1.663) 10.367 3.284 ( -0.808 0.000 0.964) 1.258 3.622 ( 0.179 -0.000 -1.836) 1.845 3.689 ( -3.460 0.000 2.498) 4.268 3.790 ( 6.501 0.000 1.667) 6.711 4.018 ( -12.652 -0.000 -0.621) 12.667 4.515 ( 8.285 -0.000 -1.925) 8.505 4.664 ( -5.187 -0.000 -1.168) 5.317 4.928 ( 8.668 0.000 7.983) 11.784 5.062 ( -1.809 0.000 2.430) 3.029 5.259 ( -1.940 -0.000 -3.750) 4.222 5.275 ( -4.334 0.000 3.020) 5.282 6.415 ( 5.736 0.000 5.757) 8.127 6.475 ( 1.051 -0.000 -1.574) 1.893 7.145 ( 1.977 0.000 3.143) 3.713 7.190 ( -1.169 -0.000 -0.521) 1.280 7.361 ( 4.184 -0.000 -8.420) 9.402 7.530 ( -10.418 -0.000 -4.675) 11.419 7.851 ( 2.994 -0.000 -3.026) 4.257 7.870 ( 1.219 -0.000 -5.820) 5.946 8.912 ( 1.892 0.000 5.088) 5.428 9.059 ( -10.413 -0.000 -3.403) 10.955 10.242 ( 12.103 0.000 3.229) 12.526 10.503 ( -9.724 0.000 3.130) 10.215 11.172 ( 7.210 0.000 6.161) 9.484 11.246 ( 0.898 -0.000 -6.267) 6.331 11.514 ( 0.121 -0.000 -4.269) 4.270 11.578 ( -4.885 0.000 7.006) 8.541 13.899 ( 1.874 0.000 1.201) 2.226 13.943 ( -1.744 0.000 1.734) 2.460 15.110 ( -0.830 -0.000 -0.186) 0.850 15.128 ( -2.057 0.000 1.919) 2.814 15.260 ( 3.067 -0.000 -0.144) 3.070 15.300 ( -0.445 -0.000 -3.050) 3.082 18.886 ( 0.566 0.000 3.134) 3.185 18.900 ( -0.571 0.000 3.091) 3.143 22.343 ( 0.017 -0.000 -1.557) 1.557 22.343 ( -0.010 -0.000 -1.495) 1.495 24.577 ( 0.018 0.000 1.670) 1.670 24.577 ( -0.017 0.000 1.697) 1.697 32.486 ( 0.078 -0.000 -0.126) 0.148 32.488 ( -0.081 -0.000 -0.104) 0.132 42.661 ( 0.219 -0.000 -1.902) 1.914 42.666 ( -0.216 -0.000 -1.763) 1.776 45.617 ( 0.554 -0.000 -10.901) 10.915 45.631 ( -0.554 -0.000 -11.303) 11.317 ======================= Grid point 243 (107/128) ======================= q-point: ( 0.00 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 5.935 19.417) 20.304 2.414 ( 0.000 6.831 11.910) 13.730 2.947 ( 0.000 -2.618 -0.387) 2.646 3.225 ( 0.000 -0.193 -4.342) 4.346 3.551 ( 0.000 -5.154 -4.486) 6.833 3.708 ( 0.000 -1.558 -2.040) 2.567 3.748 ( 0.000 -0.607 -2.585) 2.656 4.082 ( 0.000 -9.396 -10.268) 13.918 4.222 ( 0.000 -2.273 -8.146) 8.457 4.715 ( 0.000 -1.040 -8.277) 8.343 4.892 ( 0.000 -1.257 10.953) 11.025 5.084 ( 0.000 1.275 1.550) 2.007 5.290 ( 0.000 2.682 1.346) 3.001 5.495 ( 0.000 -0.513 9.105) 9.120 6.345 ( 0.000 -3.424 -0.355) 3.443 6.556 ( 0.000 5.525 10.043) 11.463 6.921 ( 0.000 -14.537 -11.753) 18.693 7.093 ( 0.000 -2.615 -11.665) 11.954 7.204 ( 0.000 2.123 -4.308) 4.802 7.745 ( 0.000 4.987 6.114) 7.890 7.811 ( 0.000 -0.614 3.929) 3.977 7.903 ( 0.000 10.276 3.186) 10.759 9.017 ( 0.000 -4.775 -1.118) 4.904 9.141 ( 0.000 7.024 1.855) 7.265 10.129 ( 0.000 3.331 0.441) 3.360 10.594 ( 0.000 1.264 -5.964) 6.096 11.032 ( 0.000 -6.822 -2.740) 7.351 11.325 ( 0.000 9.431 10.605) 14.192 11.398 ( 0.000 -5.123 -3.180) 6.030 11.882 ( 0.000 5.632 11.754) 13.034 13.792 ( 0.000 -2.931 -7.968) 8.490 13.885 ( 0.000 -3.884 -7.993) 8.887 15.093 ( 0.000 3.387 -3.486) 4.860 15.219 ( 0.000 2.904 -4.105) 5.028 15.299 ( 0.000 -1.614 11.671) 11.782 15.351 ( 0.000 -0.284 11.923) 11.926 18.918 ( 0.000 -2.555 3.848) 4.619 18.987 ( 0.000 3.242 3.227) 4.575 22.291 ( 0.000 -2.499 -1.507) 2.918 22.342 ( 0.000 2.524 -1.568) 2.972 24.574 ( 0.000 -2.949 1.570) 3.341 24.630 ( 0.000 2.462 1.184) 2.733 32.480 ( 0.000 -0.292 -0.253) 0.386 32.490 ( 0.000 0.509 -0.211) 0.551 42.630 ( 0.000 -0.591 -0.372) 0.699 42.669 ( 0.000 2.861 -0.573) 2.918 45.253 ( 0.000 -16.523 -11.261) 19.996 45.577 ( 0.000 14.928 -13.409) 20.066 ======================= Grid point 244 (108/128) ======================= q-point: ( 0.33 -0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 0.346 2.411 18.620) 18.779 2.293 ( -7.034 10.766 14.156) 19.125 3.090 ( 10.697 -1.630 -0.492) 10.832 3.283 ( -1.394 -0.382 -1.323) 1.960 3.504 ( 0.978 -4.143 -9.115) 10.060 3.664 ( -6.882 -1.172 -6.267) 9.382 3.769 ( 5.108 -4.523 -0.171) 6.825 3.929 ( -8.210 -6.248 -3.540) 10.907 4.364 ( 7.890 -4.017 -10.415) 13.670 4.557 ( -8.158 -1.201 -9.060) 12.251 5.101 ( 9.690 -1.228 10.128) 14.070 5.127 ( 4.083 1.893 3.664) 5.803 5.247 ( -1.862 2.363 0.165) 3.013 5.392 ( -8.442 -0.485 9.000) 12.349 6.416 ( 3.854 -5.256 1.591) 6.708 6.575 ( 1.093 6.374 4.472) 7.863 6.944 ( 1.908 -14.360 -9.991) 17.598 7.038 ( -2.867 -7.162 -11.448) 13.805 7.331 ( 8.834 5.463 -2.355) 10.650 7.580 ( -10.730 8.199 2.225) 13.686 7.836 ( 0.792 -0.023 5.311) 5.370 7.937 ( 1.536 9.302 3.141) 9.937 8.977 ( -1.486 -2.741 0.868) 3.236 9.050 ( -5.556 4.278 2.791) 7.548 10.265 ( 10.269 2.407 -1.838) 10.706 10.493 ( -8.420 1.654 -4.840) 9.852 11.113 ( 5.533 -5.454 -1.579) 7.928 11.270 ( -4.040 0.539 -1.657) 4.400 11.523 ( 8.996 1.584 9.120) 12.908 11.785 ( -7.642 6.816 10.064) 14.358 13.815 ( 1.738 -3.470 -8.087) 8.970 13.864 ( -1.652 -3.353 -7.934) 8.770 15.106 ( 1.387 3.021 -2.064) 3.913 15.160 ( -3.314 2.466 -1.125) 4.281 15.337 ( 1.553 -1.065 9.864) 10.042 15.357 ( 0.253 -0.041 9.513) 9.517 18.920 ( 0.088 -2.695 3.817) 4.673 18.985 ( -0.092 3.382 3.256) 4.696 22.292 ( 0.067 -2.402 -1.464) 2.814 22.341 ( -0.060 2.427 -1.611) 2.914 24.574 ( 0.002 -2.949 1.571) 3.342 24.630 ( -0.000 2.463 1.184) 2.733 32.481 ( 0.098 -0.199 -0.212) 0.307 32.488 ( -0.103 0.416 -0.252) 0.497 42.632 ( 0.131 -0.466 -0.332) 0.587 42.667 ( -0.128 2.738 -0.611) 2.808 45.253 ( 0.006 -16.535 -11.272) 20.011 45.577 ( -0.005 14.939 -13.398) 20.067 ======================= Grid point 246 (109/128) ======================= q-point: ( 0.00 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.000 6.883 15.747) 17.186 2.731 ( 0.000 8.886 14.552) 17.050 2.906 ( 0.000 -5.999 0.375) 6.011 3.038 ( 0.000 -4.752 -12.828) 13.679 3.469 ( 0.000 -4.651 0.627) 4.693 3.538 ( 0.000 -4.805 -16.671) 17.350 3.650 ( 0.000 -2.171 -2.695) 3.460 3.884 ( 0.000 -9.699 -1.005) 9.751 4.018 ( 0.000 -2.007 -12.076) 12.242 4.541 ( 0.000 2.590 -11.041) 11.340 5.046 ( 0.000 -5.396 8.412) 9.994 5.135 ( 0.000 -0.379 4.736) 4.752 5.325 ( 0.000 -2.532 1.632) 3.012 5.616 ( 0.000 -2.856 6.136) 6.768 6.343 ( 0.000 -0.003 2.286) 2.286 6.546 ( 0.000 -14.570 -12.994) 19.523 6.753 ( 0.000 1.383 6.871) 7.009 6.804 ( 0.000 -9.534 -12.940) 16.073 7.213 ( 0.000 4.657 1.598) 4.923 7.886 ( 0.000 1.902 3.764) 4.217 7.949 ( 0.000 10.457 7.064) 12.619 8.086 ( 0.000 10.143 4.889) 11.259 8.912 ( 0.000 -5.627 -1.185) 5.750 9.295 ( 0.000 6.831 4.290) 8.067 10.159 ( 0.000 7.035 -3.082) 7.680 10.468 ( 0.000 5.017 -11.239) 12.308 10.966 ( 0.000 -3.667 1.593) 3.998 11.322 ( 0.000 -3.769 -0.109) 3.771 11.632 ( 0.000 9.986 12.822) 16.252 12.138 ( 0.000 5.747 10.632) 12.086 13.581 ( 0.000 -3.586 -11.488) 12.035 13.653 ( 0.000 -4.616 -12.556) 13.378 15.077 ( 0.000 4.513 -3.455) 5.684 15.196 ( 0.000 6.123 -3.946) 7.285 15.502 ( 0.000 -4.188 14.266) 14.868 15.586 ( 0.000 -1.669 15.511) 15.601 18.967 ( 0.000 -1.357 4.155) 4.371 19.072 ( 0.000 3.290 2.636) 4.216 22.241 ( 0.000 -2.456 -1.271) 2.766 22.338 ( 0.000 2.180 -1.801) 2.828 24.572 ( 0.000 -2.715 1.573) 3.138 24.665 ( 0.000 1.648 0.389) 1.693 32.471 ( 0.000 -0.136 -0.459) 0.478 32.492 ( 0.000 0.669 -0.268) 0.720 42.639 ( 0.000 1.780 0.746) 1.930 42.705 ( 0.000 4.503 0.444) 4.525 44.918 ( 0.000 -14.861 -8.496) 17.118 45.465 ( 0.000 11.280 -15.162) 18.897 ======================= Grid point 247 (110/128) ======================= q-point: ( 0.33 -0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -2.790 2.906 15.198) 15.722 2.677 ( -2.489 12.598 15.018) 19.760 3.069 ( 11.237 -3.418 0.569) 11.759 3.140 ( 6.809 -6.290 -12.217) 15.336 3.355 ( -9.320 -3.236 -0.831) 9.901 3.431 ( -7.087 -3.906 -14.746) 16.820 3.697 ( 3.840 -6.794 -1.891) 8.030 3.829 ( -4.026 -8.552 -0.661) 9.475 4.136 ( 8.540 -0.975 -11.865) 14.652 4.373 ( -10.545 1.025 -10.922) 15.216 5.154 ( 4.891 -2.266 1.736) 5.663 5.259 ( -1.019 -3.024 4.146) 5.232 5.286 ( 8.566 -1.452 6.544) 10.877 5.523 ( -8.082 -2.919 7.301) 11.276 6.383 ( 1.998 -4.073 -1.309) 4.721 6.575 ( 1.885 -11.474 -11.611) 16.432 6.716 ( -1.672 -1.068 1.843) 2.708 6.780 ( -1.469 -8.573 -5.040) 10.052 7.369 ( 12.250 5.949 0.223) 13.620 7.676 ( -13.474 6.081 1.418) 14.851 8.014 ( 1.545 7.621 8.077) 11.212 8.106 ( 1.023 9.868 4.142) 10.751 8.962 ( 5.293 -2.688 2.314) 6.371 9.167 ( -9.325 3.824 4.470) 11.025 10.241 ( 6.421 6.226 -5.533) 10.517 10.395 ( -5.863 5.316 -9.808) 12.603 11.066 ( 7.385 -2.945 1.024) 8.016 11.231 ( -6.671 -2.615 0.659) 7.196 11.775 ( 10.073 7.499 12.191) 17.502 12.035 ( -8.286 6.757 10.296) 14.843 13.591 ( 0.597 -4.625 -11.833) 12.718 13.645 ( -0.537 -3.616 -12.183) 12.719 15.098 ( 1.794 4.554 -3.176) 5.835 15.160 ( -2.533 5.464 -3.340) 6.887 15.530 ( 1.963 -3.242 14.055) 14.557 15.572 ( -1.244 -2.042 14.893) 15.084 18.968 ( 0.030 -1.377 4.136) 4.360 19.071 ( -0.038 3.308 2.649) 4.238 22.245 ( 0.202 -2.339 -1.168) 2.622 22.335 ( -0.194 2.064 -1.905) 2.815 24.572 ( 0.003 -2.713 1.574) 3.137 24.665 ( 0.000 1.649 0.388) 1.695 32.475 ( 0.279 -0.024 -0.356) 0.453 32.488 ( -0.284 0.555 -0.370) 0.725 42.645 ( 0.358 2.000 0.927) 2.233 42.699 ( -0.348 4.296 0.270) 4.318 44.918 ( 0.000 -14.861 -8.496) 17.118 45.465 ( 0.001 11.280 -15.161) 18.897 ======================= Grid point 249 (111/128) ======================= q-point: ( 0.00 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 0.000 -4.035 -3.235) 5.171 2.736 ( 0.000 -7.440 -11.444) 13.650 2.857 ( 0.000 -9.351 0.883) 9.392 3.070 ( 0.000 7.249 13.158) 15.023 3.271 ( 0.000 -1.375 -4.490) 4.696 3.434 ( 0.000 -5.675 0.640) 5.711 3.582 ( 0.000 -2.388 -2.717) 3.617 3.768 ( 0.000 -6.671 -2.772) 7.224 3.790 ( 0.000 -1.996 -11.411) 11.584 4.422 ( 0.000 5.218 -7.402) 9.056 5.051 ( 0.000 -9.017 2.247) 9.293 5.224 ( 0.000 -4.620 6.507) 7.980 5.283 ( 0.000 -8.655 0.074) 8.655 5.639 ( 0.000 -5.248 1.633) 5.496 6.201 ( 0.000 -13.694 -10.031) 16.975 6.418 ( 0.000 2.409 4.711) 5.291 6.495 ( 0.000 -11.697 -9.237) 14.904 6.797 ( 0.000 -4.056 0.560) 4.095 7.351 ( 0.000 7.845 5.960) 9.853 7.959 ( 0.000 4.964 0.185) 4.968 8.168 ( 0.000 11.502 4.151) 12.228 8.273 ( 0.000 10.436 5.290) 11.700 8.893 ( 0.000 -6.208 5.564) 8.336 9.394 ( 0.000 5.663 -0.196) 5.666 10.171 ( 0.000 10.133 -5.328) 11.449 10.350 ( 0.000 9.940 -10.305) 14.317 11.010 ( 0.000 -0.207 5.413) 5.417 11.326 ( 0.000 0.030 2.944) 2.944 11.953 ( 0.000 11.464 11.336) 16.122 12.353 ( 0.000 5.056 7.679) 9.194 13.355 ( 0.000 -2.374 -10.588) 10.851 13.394 ( 0.000 -3.029 -12.100) 12.473 15.056 ( 0.000 2.617 -3.387) 4.280 15.204 ( 0.000 6.977 -2.983) 7.588 15.677 ( 0.000 -6.589 11.793) 13.509 15.826 ( 0.000 -1.601 13.593) 13.687 19.033 ( 0.000 0.266 4.063) 4.072 19.140 ( 0.000 3.191 1.364) 3.470 22.200 ( 0.000 -2.254 -0.606) 2.334 22.322 ( 0.000 1.335 -2.178) 2.554 24.575 ( 0.000 -2.336 1.782) 2.938 24.675 ( 0.000 0.660 -0.613) 0.901 32.463 ( 0.000 0.152 -0.536) 0.557 32.494 ( 0.000 0.638 -0.287) 0.700 42.693 ( 0.000 5.205 1.350) 5.377 42.777 ( 0.000 7.003 1.180) 7.101 44.678 ( 0.000 -12.554 -2.539) 12.809 45.281 ( 0.000 6.335 -16.623) 17.790 ======================= Grid point 250 (112/128) ======================= q-point: ( 0.33 -0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -2.767 -4.320 0.426) 5.148 2.778 ( 2.112 -7.923 -13.416) 15.724 3.000 ( 7.933 -7.048 -1.007) 10.659 3.078 ( 0.482 3.700 9.621) 10.319 3.226 ( -1.297 -0.865 0.055) 1.560 3.373 ( -6.478 0.435 2.934) 7.125 3.562 ( 0.248 -6.750 -4.957) 8.378 3.687 ( -2.772 -7.638 -5.530) 9.829 3.963 ( 10.591 -0.187 -7.746) 13.123 4.233 ( -12.813 2.303 -7.156) 14.856 5.128 ( 4.737 -6.679 0.467) 8.201 5.230 ( -3.964 -7.230 0.109) 8.246 5.373 ( 10.333 -5.625 5.809) 13.121 5.570 ( -6.210 -5.434 3.120) 8.822 6.202 ( 1.328 -12.826 -9.348) 15.927 6.287 ( -6.045 -8.721 -7.464) 12.973 6.657 ( 7.323 -4.740 2.918) 9.198 6.795 ( -1.098 -1.335 2.625) 3.143 7.464 ( 10.181 7.565 2.737) 12.976 7.764 ( -13.763 6.779 0.758) 15.361 8.211 ( 1.886 9.556 4.014) 10.535 8.270 ( -0.595 9.236 3.805) 10.007 9.011 ( 9.885 -2.138 5.437) 11.482 9.262 ( -10.514 3.180 2.218) 11.206 10.214 ( 3.302 10.122 -7.166) 12.834 10.300 ( -3.591 10.156 -9.046) 14.067 11.092 ( 5.611 -0.754 4.403) 7.172 11.264 ( -4.618 1.355 3.731) 6.089 12.059 ( 8.109 9.264 10.337) 16.076 12.264 ( -7.267 6.435 8.102) 12.643 13.348 ( -0.327 -3.392 -10.827) 11.350 13.403 ( 0.395 -2.080 -11.822) 12.011 15.085 ( 2.517 3.320 -3.158) 5.228 15.159 ( -3.273 5.338 -3.068) 6.972 15.722 ( 3.295 -4.811 12.166) 13.491 15.796 ( -2.578 -2.485 13.049) 13.532 19.033 ( 0.011 0.258 4.054) 4.063 19.140 ( -0.029 3.189 1.362) 3.467 22.207 ( 0.418 -2.189 -0.391) 2.263 22.315 ( -0.410 1.275 -2.395) 2.744 24.575 ( 0.005 -2.334 1.784) 2.938 24.675 ( 0.000 0.661 -0.615) 0.903 32.469 ( 0.512 0.187 -0.410) 0.682 32.487 ( -0.519 0.593 -0.413) 0.889 42.706 ( 0.858 5.485 1.701) 5.806 42.765 ( -0.823 6.767 0.843) 6.869 44.678 ( 0.002 -12.555 -2.531) 12.808 45.281 ( 0.000 6.339 -16.630) 17.797 ======================= Grid point 252 (113/128) ======================= q-point: ( 0.00 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.000 -13.084 -10.569) 16.820 2.499 ( 0.000 -8.093 -6.253) 10.228 2.763 ( 0.000 -12.888 1.031) 12.929 3.197 ( 0.000 -4.298 3.752) 5.705 3.358 ( 0.000 -1.199 1.618) 2.014 3.373 ( 0.000 -6.279 -0.045) 6.279 3.525 ( 0.000 2.479 1.627) 2.965 3.593 ( 0.000 -5.371 -7.097) 8.900 3.711 ( 0.000 2.054 -0.669) 2.160 4.366 ( 0.000 2.162 -4.285) 4.799 4.962 ( 0.000 -12.934 0.563) 12.947 5.156 ( 0.000 -12.915 -1.621) 13.017 5.240 ( 0.000 -8.002 2.856) 8.496 5.584 ( 0.000 -7.979 0.085) 7.980 5.946 ( 0.000 -8.191 -5.211) 9.708 6.262 ( 0.000 -12.831 -3.648) 13.340 6.535 ( 0.000 3.041 4.694) 5.593 6.734 ( 0.000 -4.411 -1.556) 4.677 7.530 ( 0.000 8.474 3.967) 9.356 8.004 ( 0.000 6.815 -0.974) 6.884 8.310 ( 0.000 9.664 0.493) 9.677 8.486 ( 0.000 12.338 4.970) 13.301 8.920 ( 0.000 -7.233 3.619) 8.088 9.446 ( 0.000 8.054 -0.174) 8.056 10.195 ( 0.000 12.177 -4.635) 13.030 10.328 ( 0.000 12.746 -5.783) 13.997 11.129 ( 0.000 4.400 5.140) 6.766 11.417 ( 0.000 4.943 4.040) 6.384 12.243 ( 0.000 13.159 7.314) 15.055 12.499 ( 0.000 3.796 3.934) 5.467 13.186 ( 0.000 -0.884 -6.648) 6.707 13.201 ( 0.000 -0.937 -7.370) 7.429 15.012 ( 0.000 -0.472 -2.775) 2.815 15.232 ( 0.000 6.942 -1.901) 7.198 15.757 ( 0.000 -9.235 6.435) 11.256 16.004 ( 0.000 -1.142 8.159) 8.239 19.110 ( 0.000 1.789 3.476) 3.909 19.181 ( 0.000 3.019 -0.395) 3.045 22.177 ( 0.000 -1.694 0.363) 1.733 22.290 ( 0.000 -0.020 -2.187) 2.187 24.587 ( 0.000 -1.879 2.155) 2.859 24.657 ( 0.000 -0.400 -1.648) 1.696 32.458 ( 0.000 0.492 -0.372) 0.617 32.494 ( 0.000 0.375 -0.218) 0.433 42.787 ( 0.000 8.652 1.104) 8.723 42.891 ( 0.000 11.155 1.336) 11.235 44.592 ( 0.000 -9.685 6.059) 11.424 45.021 ( 0.000 0.323 -17.284) 17.287 ======================= Grid point 253 (114/128) ======================= q-point: ( 0.33 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 1.569 -10.953 -7.678) 13.468 2.485 ( -1.531 -9.504 -7.873) 12.436 2.876 ( 8.439 -13.451 1.224) 15.926 3.139 ( -6.191 -9.073 1.629) 11.104 3.292 ( -0.567 -3.647 -0.586) 3.737 3.406 ( -2.090 -3.061 -2.773) 4.629 3.491 ( 2.023 4.739 4.050) 6.554 3.596 ( -2.318 2.364 1.581) 3.669 3.841 ( 11.318 -2.855 -4.886) 12.654 4.149 ( -14.836 -0.656 -4.274) 15.453 5.034 ( 4.326 -11.391 -0.660) 12.202 5.120 ( -2.934 -12.497 -1.232) 12.896 5.372 ( 8.728 -7.256 2.391) 11.600 5.533 ( -4.475 -7.169 0.592) 8.472 5.944 ( 1.299 -10.936 -4.539) 11.911 6.095 ( -8.645 -9.040 -4.544) 13.308 6.697 ( 6.966 -2.913 4.735) 8.912 6.794 ( 3.339 -3.089 0.132) 4.551 7.602 ( 7.149 9.538 2.291) 12.138 7.841 ( -12.017 8.481 -0.242) 14.710 8.351 ( 3.027 9.213 1.605) 9.829 8.433 ( -3.689 9.661 3.735) 10.994 9.059 ( 10.514 -2.749 2.122) 11.073 9.319 ( -10.024 4.765 0.139) 11.099 10.220 ( 1.631 12.605 -4.284) 13.412 10.307 ( -1.420 13.844 -5.142) 14.836 11.200 ( 4.902 3.917 5.787) 8.535 11.368 ( -3.754 5.678 3.325) 7.576 12.307 ( 5.109 10.404 6.404) 13.243 12.437 ( -5.062 5.856 4.518) 8.963 13.173 ( -0.478 -1.395 -6.007) 6.185 13.215 ( 0.539 -0.462 -7.990) 8.021 15.055 ( 3.751 0.723 -2.579) 4.609 15.162 ( -5.118 4.007 -2.133) 6.841 15.833 ( 5.618 -6.113 6.874) 10.779 15.953 ( -4.324 -2.487 7.732) 9.201 19.110 ( 0.004 1.767 3.490) 3.912 19.180 ( -0.043 3.011 -0.420) 3.040 22.190 ( 0.811 -1.758 0.857) 2.117 22.277 ( -0.800 0.057 -2.684) 2.801 24.587 ( 0.010 -1.877 2.163) 2.864 24.657 ( -0.004 -0.403 -1.657) 1.706 32.466 ( 0.673 0.395 -0.269) 0.826 32.486 ( -0.690 0.441 -0.320) 0.879 42.811 ( 1.836 9.347 1.480) 9.640 42.869 ( -1.740 10.582 0.981) 10.769 44.592 ( 0.025 -9.669 6.108) 11.436 45.021 ( -0.014 0.330 -17.327) 17.330 ======================= Grid point 255 (115/128) ======================= q-point: ( 0.00 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 0.000 -15.987 0.000) 15.987 2.358 ( 0.000 -9.608 0.000) 9.608 2.629 ( 0.000 -14.684 0.000) 14.684 3.191 ( 0.000 -6.338 0.000) 6.338 3.244 ( 0.000 -9.899 0.000) 9.899 3.322 ( 0.000 -5.103 0.000) 5.103 3.433 ( 0.000 -12.412 0.000) 12.412 3.642 ( 0.000 7.595 -0.000) 7.595 3.753 ( 0.000 6.414 -0.000) 6.414 4.299 ( 0.000 -8.482 0.000) 8.482 4.814 ( 0.000 -16.585 0.000) 16.585 5.002 ( 0.000 -11.767 0.000) 11.767 5.172 ( 0.000 -9.286 0.000) 9.286 5.490 ( 0.000 -9.307 0.000) 9.307 5.872 ( 0.000 -0.215 0.000) 0.215 6.091 ( 0.000 -14.425 0.000) 14.425 6.590 ( 0.000 -2.449 0.000) 2.449 6.706 ( 0.000 3.326 -0.000) 3.326 7.647 ( 0.000 8.893 -0.000) 8.893 8.080 ( 0.000 9.003 -0.000) 9.003 8.405 ( 0.000 8.820 -0.000) 8.820 8.660 ( 0.000 11.908 -0.000) 11.908 8.868 ( 0.000 -6.715 0.000) 6.715 9.552 ( 0.000 10.309 -0.000) 10.309 10.282 ( 0.000 13.745 -0.000) 13.745 10.410 ( 0.000 13.688 -0.000) 13.688 11.251 ( 0.000 9.779 -0.000) 9.779 11.531 ( 0.000 8.575 -0.000) 8.575 12.454 ( 0.000 14.486 -0.000) 14.486 12.564 ( 0.000 2.020 -0.000) 2.020 13.119 ( 0.000 -0.490 0.000) 0.490 13.133 ( 0.000 -0.075 0.000) 0.075 14.965 ( 0.000 -2.978 0.000) 2.978 15.285 ( 0.000 7.049 -0.000) 7.049 15.704 ( 0.000 -11.950 0.000) 11.950 16.067 ( 0.000 -1.021 0.000) 1.021 19.180 ( 0.000 2.870 -0.000) 2.870 19.192 ( 0.000 2.751 -0.000) 2.751 22.172 ( 0.000 -0.964 0.000) 0.964 22.258 ( 0.000 -1.331 0.000) 1.331 24.607 ( 0.000 -1.543 0.000) 1.543 24.616 ( 0.000 -1.300 0.000) 1.300 32.461 ( 0.000 0.822 -0.000) 0.822 32.494 ( 0.000 -0.023 0.000) 0.023 42.898 ( 0.000 10.825 -0.000) 10.825 43.049 ( 0.000 17.096 -0.000) 17.096 44.675 ( 0.000 -6.769 0.000) 6.769 44.726 ( 0.000 -5.262 0.000) 5.262 ======================= Grid point 256 (116/128) ======================= q-point: ( 0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 5.185 -13.873 0.000) 14.810 2.321 ( -4.321 -9.989 0.000) 10.884 2.739 ( 10.291 -16.226 0.000) 19.214 3.019 ( -13.145 -14.331 0.000) 19.447 3.233 ( 3.205 -5.214 0.000) 6.120 3.306 ( -2.780 -5.438 0.000) 6.108 3.603 ( 7.268 2.277 -0.000) 7.616 3.688 ( 0.414 6.942 -0.000) 6.954 3.750 ( 6.514 -3.126 0.000) 7.226 4.065 ( -16.224 -7.886 0.000) 18.039 4.880 ( 3.827 -16.692 0.000) 17.125 4.954 ( -2.873 -15.805 0.000) 16.064 5.326 ( 9.359 -5.764 0.000) 10.992 5.465 ( -2.813 -6.470 0.000) 7.055 5.838 ( -0.281 -4.354 0.000) 4.363 5.946 ( -8.867 -11.023 0.000) 14.147 6.712 ( 6.636 -5.226 0.000) 8.447 6.763 ( 2.300 -0.456 0.000) 2.344 7.723 ( 7.126 11.016 -0.000) 13.120 7.939 ( -10.497 10.794 -0.000) 15.057 8.459 ( 4.108 8.677 -0.000) 9.600 8.568 ( -5.456 8.709 -0.000) 10.277 9.051 ( 13.228 -0.697 0.000) 13.247 9.371 ( -13.799 6.063 -0.000) 15.072 10.335 ( 3.545 14.906 -0.000) 15.322 10.396 ( -1.578 14.501 -0.000) 14.586 11.332 ( 6.295 9.349 -0.000) 11.271 11.471 ( -5.129 8.778 -0.000) 10.167 12.477 ( 2.023 11.020 -0.000) 11.204 12.532 ( -2.489 4.903 -0.000) 5.498 13.124 ( 0.320 -0.357 0.000) 0.480 13.130 ( -0.228 -0.148 0.000) 0.272 15.024 ( 5.138 -1.553 0.000) 5.368 15.173 ( -7.527 2.351 -0.000) 7.886 15.827 ( 8.400 -6.916 0.000) 10.881 15.997 ( -6.025 -2.556 0.000) 6.545 19.182 ( 0.212 2.808 -0.000) 2.816 19.188 ( -0.284 2.749 -0.000) 2.763 22.193 ( 1.778 -1.041 0.000) 2.060 22.237 ( -1.758 -1.225 0.000) 2.143 24.609 ( 0.194 -1.487 0.000) 1.500 24.614 ( -0.191 -1.366 0.000) 1.379 32.469 ( 0.654 0.580 -0.000) 0.874 32.485 ( -0.697 0.159 -0.000) 0.715 42.937 ( 3.193 12.527 -0.000) 12.928 43.013 ( -2.980 15.656 -0.000) 15.937 44.688 ( 1.063 -6.346 0.000) 6.434 44.714 ( -1.018 -5.593 0.000) 5.685 ======================= Grid point 288 (117/128) ======================= q-point: ( 0.00 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 0.000 0.000 18.854) 18.854 2.640 ( 0.000 0.000 16.898) 16.898 2.974 ( 0.000 0.000 1.618) 1.618 3.079 ( 0.000 -0.000 -12.322) 12.322 3.521 ( 0.000 -0.000 -1.014) 1.014 3.581 ( 0.000 -0.000 -16.083) 16.083 3.670 ( 0.000 -0.000 -3.181) 3.181 4.011 ( 0.000 -0.000 -2.810) 2.810 4.034 ( 0.000 -0.000 -13.510) 13.510 4.494 ( 0.000 -0.000 -15.241) 15.241 5.109 ( 0.000 0.000 12.277) 12.277 5.131 ( 0.000 0.000 3.706) 3.706 5.357 ( 0.000 0.000 5.672) 5.672 5.643 ( 0.000 0.000 6.523) 6.523 6.345 ( 0.000 0.000 0.356) 0.356 6.731 ( 0.000 0.000 10.618) 10.618 6.750 ( 0.000 -0.000 -15.248) 15.248 6.876 ( 0.000 -0.000 -13.344) 13.344 7.168 ( 0.000 0.000 1.327) 1.327 7.845 ( 0.000 0.000 7.842) 7.842 7.870 ( 0.000 0.000 2.273) 2.273 7.952 ( 0.000 0.000 6.584) 6.584 8.999 ( 0.000 -0.000 -1.011) 1.011 9.197 ( 0.000 0.000 6.015) 6.015 10.085 ( 0.000 -0.000 -3.274) 3.274 10.415 ( 0.000 -0.000 -12.825) 12.825 11.026 ( 0.000 -0.000 -0.061) 0.061 11.371 ( 0.000 -0.000 -2.099) 2.099 11.509 ( 0.000 0.000 13.960) 13.960 12.067 ( 0.000 0.000 11.745) 11.745 13.620 ( 0.000 -0.000 -12.722) 12.722 13.704 ( 0.000 -0.000 -14.182) 14.182 15.028 ( 0.000 -0.000 -1.896) 1.896 15.131 ( 0.000 -0.000 -3.298) 3.298 15.545 ( 0.000 0.000 14.467) 14.467 15.603 ( 0.000 0.000 15.213) 15.213 19.001 ( 0.000 0.000 3.449) 3.449 19.018 ( 0.000 0.000 2.990) 2.990 22.289 ( 0.000 -0.000 -1.379) 1.379 22.293 ( 0.000 -0.000 -1.476) 1.476 24.623 ( 0.000 0.000 0.983) 0.983 24.625 ( 0.000 0.000 1.018) 1.018 32.478 ( 0.000 -0.000 -0.331) 0.331 32.480 ( 0.000 -0.000 -0.460) 0.460 42.640 ( 0.000 0.000 0.483) 0.483 42.641 ( 0.000 -0.000 -0.162) 0.162 45.210 ( 0.000 -0.000 -11.279) 11.279 45.211 ( 0.000 -0.000 -11.953) 11.953 ======================= Grid point 290 (118/128) ======================= q-point: ( 0.33 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 1.733 0.000 18.762) 18.842 2.522 ( -7.230 0.000 17.244) 18.698 3.104 ( 9.893 0.000 1.171) 9.962 3.200 ( 7.124 -0.000 -9.955) 12.242 3.394 ( -7.596 -0.000 -3.440) 8.339 3.466 ( -8.578 -0.000 -15.351) 17.585 3.779 ( 7.132 -0.000 -1.430) 7.274 3.929 ( -5.643 -0.000 -0.853) 5.707 4.144 ( 7.423 -0.000 -15.256) 16.966 4.340 ( -9.797 -0.000 -14.612) 17.592 5.179 ( 4.005 0.000 3.954) 5.628 5.282 ( -1.331 0.000 4.095) 4.306 5.313 ( 9.136 0.000 10.600) 13.994 5.552 ( -8.078 0.000 7.832) 11.252 6.448 ( 7.310 -0.000 -0.676) 7.341 6.600 ( -6.289 -0.000 -1.163) 6.395 6.844 ( 2.500 -0.000 -6.674) 7.127 6.864 ( -0.354 -0.000 -10.478) 10.484 7.299 ( 10.895 0.000 1.458) 10.992 7.600 ( -14.458 0.000 3.796) 14.948 7.957 ( 1.809 0.000 5.961) 6.229 7.963 ( 0.679 0.000 6.364) 6.400 9.009 ( 2.131 0.000 2.235) 3.088 9.113 ( -6.091 0.000 5.755) 8.380 10.177 ( 7.141 -0.000 -6.348) 9.555 10.339 ( -6.257 -0.000 -11.046) 12.695 11.110 ( 6.494 -0.000 -0.225) 6.498 11.264 ( -6.642 -0.000 -0.087) 6.643 11.691 ( 12.149 0.000 11.598) 16.796 11.952 ( -9.744 0.000 11.647) 15.186 13.642 ( 1.748 -0.000 -13.067) 13.183 13.683 ( -1.673 -0.000 -13.805) 13.906 15.049 ( 1.863 -0.000 -1.937) 2.688 15.100 ( -2.337 -0.000 -2.558) 3.465 15.564 ( 1.427 0.000 14.299) 14.370 15.593 ( -0.941 0.000 14.751) 14.781 19.005 ( 0.337 0.000 3.332) 3.349 19.014 ( -0.344 0.000 3.103) 3.122 22.290 ( 0.082 -0.000 -1.403) 1.405 22.292 ( -0.074 -0.000 -1.452) 1.453 24.624 ( 0.049 0.000 0.992) 0.993 24.625 ( -0.048 0.000 1.010) 1.011 32.478 ( 0.031 -0.000 -0.363) 0.364 32.479 ( -0.035 -0.000 -0.427) 0.429 42.641 ( 0.016 0.000 0.323) 0.323 42.641 ( -0.012 0.000 0.001) 0.012 45.210 ( 0.034 -0.000 -11.448) 11.448 45.211 ( -0.032 -0.000 -11.785) 11.785 ======================= Grid point 294 (119/128) ======================= q-point: ( 0.00 -0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 0.000 0.074 8.001) 8.001 2.836 ( 0.000 -2.457 -12.858) 13.091 2.953 ( 0.000 3.069 16.640) 16.920 2.997 ( 0.000 -3.802 2.987) 4.835 3.303 ( 0.000 -0.948 -11.106) 11.147 3.514 ( 0.000 -2.070 0.779) 2.212 3.606 ( 0.000 -0.440 -3.661) 3.687 3.795 ( 0.000 0.544 -13.519) 13.530 3.938 ( 0.000 -7.729 -2.746) 8.202 4.273 ( 0.000 7.179 -12.525) 14.437 5.177 ( 0.000 -3.206 3.149) 4.494 5.292 ( 0.000 -1.723 9.117) 9.278 5.429 ( 0.000 -4.323 4.478) 6.225 5.703 ( 0.000 -1.283 1.143) 1.718 6.377 ( 0.000 1.277 2.521) 2.826 6.468 ( 0.000 -10.432 -10.106) 14.524 6.646 ( 0.000 -1.898 -11.635) 11.788 6.865 ( 0.000 -2.040 5.068) 5.463 7.246 ( 0.000 2.500 6.137) 6.627 7.890 ( 0.000 1.699 -0.660) 1.822 7.995 ( 0.000 3.987 6.570) 7.685 8.085 ( 0.000 6.716 4.391) 8.024 9.024 ( 0.000 -5.150 6.612) 8.381 9.285 ( 0.000 4.176 0.795) 4.251 10.029 ( 0.000 3.632 -5.029) 6.204 10.201 ( 0.000 4.065 -12.785) 13.416 11.054 ( 0.000 -2.497 4.602) 5.236 11.346 ( 0.000 -1.115 0.204) 1.134 11.761 ( 0.000 5.983 11.093) 12.604 12.260 ( 0.000 3.032 8.283) 8.821 13.390 ( 0.000 -0.923 -12.461) 12.495 13.439 ( 0.000 -1.190 -14.568) 14.617 15.014 ( 0.000 1.156 -0.811) 1.413 15.103 ( 0.000 2.591 -1.675) 3.085 15.768 ( 0.000 -2.243 12.071) 12.277 15.847 ( 0.000 -0.499 12.799) 12.808 19.042 ( 0.000 -1.162 2.976) 3.195 19.082 ( 0.000 2.432 1.945) 3.114 22.246 ( 0.000 -2.233 -0.970) 2.435 22.289 ( 0.000 1.908 -1.419) 2.378 24.619 ( 0.000 -1.964 1.026) 2.216 24.654 ( 0.000 1.406 0.189) 1.418 32.466 ( 0.000 -0.437 -0.499) 0.663 32.479 ( 0.000 0.764 -0.368) 0.848 42.638 ( 0.000 0.373 0.478) 0.606 42.673 ( 0.000 3.314 0.578) 3.364 44.921 ( 0.000 -11.122 -6.683) 12.976 45.126 ( 0.000 8.864 -11.528) 14.541 ======================= Grid point 295 (120/128) ======================= q-point: ( 0.33 -0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -1.110 -3.564 7.290) 8.190 2.784 ( -2.350 4.871 1.946) 5.748 3.037 ( 5.629 -2.603 1.200) 6.317 3.133 ( 9.012 -1.886 2.780) 9.618 3.229 ( -4.248 -0.057 -7.627) 8.731 3.383 ( -9.208 -0.608 1.578) 9.361 3.701 ( 5.415 -5.670 -5.154) 9.383 3.834 ( -1.573 -3.789 -9.836) 10.658 3.934 ( 4.568 0.045 -6.648) 8.066 4.130 ( -9.894 6.045 -11.346) 16.222 5.229 ( 4.221 -2.795 3.001) 5.885 5.335 ( -3.804 -2.769 3.158) 5.667 5.460 ( 8.533 -2.348 7.364) 11.514 5.640 ( -5.780 -1.493 3.081) 6.718 6.379 ( 0.134 -5.263 -4.703) 7.060 6.461 ( -0.743 -4.691 -9.598) 10.709 6.723 ( 5.767 -1.851 -2.287) 6.474 6.835 ( -2.906 -1.935 3.609) 5.021 7.363 ( 10.436 2.456 3.837) 11.387 7.665 ( -14.496 2.614 1.727) 14.831 8.064 ( 2.013 3.510 4.790) 6.270 8.097 ( 0.541 6.268 4.302) 7.622 9.070 ( 4.510 -2.653 6.084) 8.024 9.207 ( -6.142 2.033 3.104) 7.176 10.071 ( 3.353 3.667 -7.491) 8.989 10.154 ( -3.603 3.847 -11.355) 12.519 11.128 ( 5.767 -1.786 3.355) 6.907 11.268 ( -5.754 -0.802 1.554) 6.014 11.906 ( 10.845 4.601 9.972) 15.434 12.150 ( -9.126 3.561 8.694) 13.098 13.400 ( 0.730 -1.515 -12.985) 13.093 13.430 ( -0.622 -0.608 -14.023) 14.050 15.034 ( 1.679 1.380 -0.954) 2.374 15.079 ( -1.904 2.154 -1.409) 3.202 15.790 ( 1.714 -1.742 12.184) 12.426 15.830 ( -1.471 -0.825 12.542) 12.655 19.043 ( 0.020 -1.189 2.949) 3.180 19.081 ( -0.033 2.456 1.966) 3.147 22.249 ( 0.197 -1.938 -0.874) 2.135 22.286 ( -0.191 1.612 -1.517) 2.222 24.619 ( 0.005 -1.966 1.028) 2.219 24.654 ( -0.002 1.410 0.187) 1.422 32.469 ( 0.246 -0.153 -0.455) 0.539 32.475 ( -0.250 0.481 -0.412) 0.681 42.644 ( 0.384 0.798 0.657) 1.102 42.668 ( -0.375 2.898 0.403) 2.950 44.921 ( 0.005 -11.129 -6.672) 12.976 45.126 ( -0.004 8.871 -11.540) 14.555 ======================= Grid point 297 (121/128) ======================= q-point: ( 0.00 -0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 0.000 -7.898 -7.329) 10.775 2.621 ( 0.000 -3.966 -7.561) 8.538 2.990 ( 0.000 -8.669 3.008) 9.176 3.234 ( 0.000 1.148 9.028) 9.100 3.279 ( 0.000 3.660 6.074) 7.091 3.476 ( 0.000 -4.094 -1.978) 4.547 3.542 ( 0.000 -0.685 -3.069) 3.145 3.624 ( 0.000 1.690 -6.572) 6.786 3.777 ( 0.000 -7.998 -4.111) 8.993 4.213 ( 0.000 10.535 -6.177) 12.213 5.165 ( 0.000 -7.007 1.454) 7.156 5.377 ( 0.000 -4.814 4.474) 6.572 5.413 ( 0.000 -10.183 2.175) 10.413 5.678 ( 0.000 -2.030 -1.020) 2.272 6.197 ( 0.000 -14.309 -6.296) 15.633 6.450 ( 0.000 3.940 2.545) 4.690 6.464 ( 0.000 -5.575 -4.834) 7.378 6.864 ( 0.000 -6.581 0.761) 6.625 7.400 ( 0.000 4.434 6.046) 7.497 7.896 ( 0.000 3.718 -1.393) 3.970 8.129 ( 0.000 6.796 2.311) 7.178 8.242 ( 0.000 10.747 3.371) 11.264 9.084 ( 0.000 -7.801 6.331) 10.047 9.303 ( 0.000 5.483 -3.139) 6.318 10.000 ( 0.000 6.660 -3.945) 7.741 10.101 ( 0.000 9.022 -6.213) 10.954 11.116 ( 0.000 -2.119 4.699) 5.155 11.362 ( 0.000 0.879 1.721) 1.932 11.998 ( 0.000 10.136 6.381) 11.978 12.406 ( 0.000 4.477 4.089) 6.063 13.201 ( 0.000 -0.525 -7.845) 7.863 13.216 ( 0.000 -0.524 -9.299) 9.314 15.011 ( 0.000 0.311 -0.630) 0.703 15.118 ( 0.000 4.054 -0.785) 4.129 15.898 ( 0.000 -4.623 6.736) 8.170 16.020 ( 0.000 -0.437 7.380) 7.393 19.086 ( 0.000 0.485 2.436) 2.483 19.126 ( 0.000 2.291 0.285) 2.309 22.214 ( 0.000 -1.886 -0.261) 1.904 22.281 ( 0.000 0.977 -1.207) 1.553 24.621 ( 0.000 -1.440 1.273) 1.922 24.658 ( 0.000 0.293 -0.733) 0.789 32.454 ( 0.000 -0.194 -0.363) 0.412 32.482 ( 0.000 0.815 -0.215) 0.843 42.665 ( 0.000 3.181 0.511) 3.222 42.728 ( 0.000 5.473 0.557) 5.501 44.771 ( 0.000 -7.809 0.877) 7.858 44.991 ( 0.000 2.760 -11.078) 11.417 ======================= Grid point 298 (122/128) ======================= q-point: ( 0.33 -0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -0.869 -6.452 -4.968) 8.189 2.639 ( 0.641 -5.037 -9.318) 10.611 3.103 ( 7.326 -8.388 3.718) 11.741 3.223 ( -1.330 -0.217 7.922) 8.035 3.281 ( 2.331 3.548 6.698) 7.929 3.423 ( -6.834 -0.650 2.623) 7.349 3.517 ( 0.454 -4.980 -6.581) 8.266 3.624 ( -1.394 -3.584 -7.723) 8.628 3.848 ( 7.469 0.839 -4.342) 8.680 4.065 ( -10.601 7.366 -5.498) 14.031 5.218 ( 4.210 -6.656 1.288) 7.980 5.324 ( -4.603 -7.170 1.433) 8.640 5.513 ( 7.080 -5.248 3.223) 9.383 5.638 ( -3.587 -2.957 -0.042) 4.649 6.192 ( 0.646 -11.693 -5.635) 12.996 6.273 ( -5.850 -7.456 -3.881) 10.241 6.722 ( 11.105 0.194 1.766) 11.246 6.867 ( -1.617 -3.125 2.325) 4.217 7.464 ( 6.869 3.995 3.481) 8.675 7.712 ( -12.870 4.252 -0.135) 13.555 8.178 ( 2.731 6.659 2.235) 7.536 8.236 ( -1.070 8.687 2.742) 9.172 9.135 ( 4.424 -4.002 4.226) 7.310 9.248 ( -4.606 2.425 -0.513) 5.231 10.013 ( 1.145 7.191 -4.830) 8.738 10.069 ( -2.126 8.950 -5.705) 10.824 11.181 ( 4.805 -1.176 4.079) 6.412 11.306 ( -4.373 0.953 2.337) 5.049 12.110 ( 8.748 8.106 5.703) 13.220 12.312 ( -7.778 5.489 4.522) 10.539 13.198 ( -0.128 -1.021 -7.987) 8.053 13.220 ( 0.215 -0.040 -9.199) 9.202 15.034 ( 1.982 1.014 -0.663) 2.323 15.087 ( -2.355 2.852 -0.754) 3.775 15.932 ( 2.626 -3.344 6.895) 8.100 15.992 ( -2.292 -1.279 7.195) 7.658 19.086 ( 0.010 0.491 2.443) 2.492 19.125 ( -0.030 2.277 0.273) 2.293 22.224 ( 0.661 -1.535 0.049) 1.672 22.271 ( -0.657 0.627 -1.518) 1.769 24.621 ( 0.008 -1.439 1.280) 1.926 24.658 ( -0.004 0.294 -0.740) 0.796 32.461 ( 0.545 0.050 -0.316) 0.632 32.475 ( -0.547 0.570 -0.261) 0.832 42.679 ( 1.070 3.685 0.720) 3.904 42.714 ( -1.046 4.997 0.353) 5.118 44.771 ( 0.018 -7.814 0.909) 7.866 44.990 ( -0.018 2.766 -11.111) 11.450 ======================= Grid point 300 (123/128) ======================= q-point: ( 0.00 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.000 -11.918 0.000) 11.918 2.508 ( 0.000 -5.394 0.000) 5.394 2.909 ( 0.000 -12.249 0.000) 12.249 3.283 ( 0.000 -2.832 0.000) 2.832 3.386 ( 0.000 -1.053 0.000) 1.053 3.411 ( 0.000 -3.512 0.000) 3.512 3.513 ( 0.000 2.613 -0.000) 2.613 3.574 ( 0.000 -1.998 0.000) 1.998 3.694 ( 0.000 -1.686 0.000) 1.686 4.259 ( 0.000 8.922 -0.000) 8.922 5.087 ( 0.000 -10.393 0.000) 10.393 5.300 ( 0.000 -14.800 0.000) 14.800 5.350 ( 0.000 -7.523 0.000) 7.523 5.644 ( 0.000 -3.630 0.000) 3.630 5.996 ( 0.000 -12.616 0.000) 12.616 6.349 ( 0.000 -9.671 0.000) 9.671 6.527 ( 0.000 5.662 -0.000) 5.662 6.789 ( 0.000 -8.019 0.000) 8.019 7.504 ( 0.000 5.230 -0.000) 5.230 7.930 ( 0.000 5.555 -0.000) 5.555 8.223 ( 0.000 8.372 -0.000) 8.372 8.398 ( 0.000 12.957 -0.000) 12.957 9.044 ( 0.000 -9.694 0.000) 9.694 9.350 ( 0.000 8.856 -0.000) 8.856 10.044 ( 0.000 9.268 -0.000) 9.268 10.155 ( 0.000 11.263 -0.000) 11.263 11.152 ( 0.000 0.511 -0.000) 0.511 11.407 ( 0.000 3.667 -0.000) 3.667 12.173 ( 0.000 12.706 -0.000) 12.706 12.489 ( 0.000 4.725 -0.000) 4.725 13.127 ( 0.000 -0.257 0.000) 0.257 13.132 ( 0.000 0.112 -0.000) 0.112 15.000 ( 0.000 -0.825 0.000) 0.825 15.157 ( 0.000 5.199 -0.000) 5.199 15.898 ( 0.000 -7.052 0.000) 7.052 16.081 ( 0.000 -0.400 0.000) 0.400 19.130 ( 0.000 1.922 -0.000) 1.922 19.141 ( 0.000 2.152 -0.000) 2.152 22.196 ( 0.000 -1.464 0.000) 1.464 22.272 ( 0.000 -0.025 0.000) 0.025 24.632 ( 0.000 -0.928 0.000) 0.928 24.638 ( 0.000 -0.804 0.000) 0.804 32.451 ( 0.000 0.150 -0.000) 0.150 32.487 ( 0.000 0.645 -0.000) 0.645 42.719 ( 0.000 6.227 -0.000) 6.227 42.803 ( 0.000 8.168 -0.000) 8.168 44.788 ( 0.000 -4.241 0.000) 4.241 44.817 ( 0.000 -3.542 0.000) 3.542 ======================= Grid point 301 (124/128) ======================= q-point: ( 0.33 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 1.907 -10.003 0.000) 10.184 2.492 ( -1.678 -6.628 0.000) 6.838 3.034 ( 10.052 -12.582 0.000) 16.104 3.255 ( -7.318 -7.652 0.000) 10.588 3.315 ( 1.267 -3.092 0.000) 3.342 3.394 ( -5.257 -2.966 0.000) 6.036 3.501 ( 3.533 3.676 -0.000) 5.098 3.575 ( -2.557 3.630 -0.000) 4.440 3.808 ( 10.006 -0.392 0.000) 10.013 4.079 ( -12.919 5.045 -0.000) 13.869 5.142 ( 4.136 -9.888 0.000) 10.718 5.240 ( -4.106 -11.299 0.000) 12.022 5.472 ( 7.372 -7.486 0.000) 10.506 5.597 ( -3.813 -4.773 0.000) 6.109 6.012 ( 2.903 -12.280 0.000) 12.618 6.158 ( -9.575 -9.149 0.000) 13.243 6.750 ( 10.481 0.586 -0.000) 10.497 6.843 ( 1.962 -5.211 0.000) 5.568 7.546 ( 5.196 6.101 -0.000) 8.014 7.762 ( -12.087 6.371 -0.000) 13.664 8.275 ( 3.766 8.474 -0.000) 9.273 8.360 ( -3.289 10.478 -0.000) 10.982 9.119 ( 6.195 -4.969 0.000) 7.942 9.272 ( -6.326 3.785 -0.000) 7.372 10.068 ( 2.169 10.771 -0.000) 10.987 10.125 ( -2.425 11.739 -0.000) 11.987 11.225 ( 5.616 1.606 -0.000) 5.841 11.350 ( -4.741 3.247 -0.000) 5.746 12.256 ( 6.615 10.202 -0.000) 12.159 12.413 ( -6.265 6.306 -0.000) 8.889 13.129 ( 0.127 -0.159 0.000) 0.203 13.131 ( -0.066 0.021 -0.000) 0.070 15.033 ( 2.811 0.268 -0.000) 2.824 15.110 ( -3.571 3.149 -0.000) 4.761 15.951 ( 4.078 -4.865 0.000) 6.348 16.041 ( -3.403 -1.670 0.000) 3.791 19.133 ( 0.206 1.969 -0.000) 1.980 19.138 ( -0.236 2.085 -0.000) 2.098 22.215 ( 1.555 -1.102 0.000) 1.906 22.253 ( -1.551 -0.383 0.000) 1.598 24.633 ( 0.126 -0.896 0.000) 0.905 24.636 ( -0.120 -0.834 0.000) 0.843 32.460 ( 0.745 0.267 -0.000) 0.792 32.478 ( -0.750 0.515 -0.000) 0.910 42.740 ( 1.748 6.745 -0.000) 6.968 42.782 ( -1.695 7.716 -0.000) 7.900 44.795 ( 0.599 -4.061 0.000) 4.105 44.810 ( -0.595 -3.712 0.000) 3.759 ======================= Grid point 339 (125/128) ======================= q-point: ( 0.00 0.47 -0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.000 -0.000 -8.000) 8.000 2.694 ( 0.000 -0.000 -5.352) 5.352 3.085 ( 0.000 0.000 4.253) 4.253 3.192 ( 0.000 0.000 11.906) 11.906 3.260 ( 0.000 0.000 4.296) 4.296 3.540 ( 0.000 0.000 0.769) 0.769 3.547 ( 0.000 -0.000 -2.939) 2.939 3.574 ( 0.000 -0.000 -10.486) 10.486 3.951 ( 0.000 -0.000 -2.271) 2.271 4.014 ( 0.000 -0.000 -9.804) 9.804 5.239 ( 0.000 0.000 1.863) 1.863 5.426 ( 0.000 0.000 4.965) 4.965 5.523 ( 0.000 0.000 3.061) 3.061 5.696 ( 0.000 -0.000 -1.727) 1.727 6.406 ( 0.000 0.000 1.699) 1.699 6.417 ( 0.000 -0.000 -3.739) 3.739 6.467 ( 0.000 -0.000 -7.904) 7.904 6.943 ( 0.000 0.000 2.156) 2.156 7.351 ( 0.000 0.000 6.503) 6.503 7.857 ( 0.000 -0.000 -1.426) 1.426 8.077 ( 0.000 0.000 4.220) 4.220 8.099 ( 0.000 0.000 1.832) 1.832 9.183 ( 0.000 0.000 6.857) 6.857 9.238 ( 0.000 -0.000 -3.146) 3.146 9.931 ( 0.000 -0.000 -3.684) 3.684 9.999 ( 0.000 -0.000 -7.047) 7.047 11.153 ( 0.000 0.000 4.556) 4.556 11.358 ( 0.000 0.000 0.679) 0.679 11.881 ( 0.000 0.000 6.131) 6.131 12.354 ( 0.000 0.000 4.288) 4.288 13.206 ( 0.000 -0.000 -8.324) 8.324 13.221 ( 0.000 -0.000 -10.036) 10.036 15.007 ( 0.000 0.000 0.127) 0.127 15.075 ( 0.000 -0.000 -0.393) 0.393 15.945 ( 0.000 0.000 6.793) 6.793 16.024 ( 0.000 0.000 7.110) 7.110 19.090 ( 0.000 0.000 1.420) 1.420 19.093 ( 0.000 0.000 1.168) 1.168 22.249 ( 0.000 -0.000 -0.812) 0.812 22.255 ( 0.000 -0.000 -0.541) 0.541 24.644 ( 0.000 0.000 0.270) 0.270 24.647 ( 0.000 0.000 0.284) 0.284 32.464 ( 0.000 -0.000 -0.326) 0.326 32.466 ( 0.000 -0.000 -0.256) 0.256 42.644 ( 0.000 0.000 0.133) 0.133 42.664 ( 0.000 0.000 0.538) 0.538 44.899 ( 0.000 -0.000 -5.111) 5.111 44.915 ( 0.000 -0.000 -4.804) 4.804 ======================= Grid point 341 (126/128) ======================= q-point: ( 0.33 0.47 -0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.326 -0.000 -7.234) 7.241 2.678 ( -0.873 -0.000 -5.667) 5.734 3.198 ( 0.825 0.000 10.756) 10.788 3.215 ( 8.525 0.000 5.135) 9.951 3.235 ( -0.455 0.000 6.229) 6.246 3.427 ( -7.200 0.000 3.372) 7.950 3.612 ( 3.012 -0.000 -11.971) 12.344 3.636 ( 2.762 -0.000 -7.109) 7.627 3.903 ( -3.403 -0.000 -2.418) 4.175 3.907 ( -5.756 -0.000 -7.580) 9.518 5.289 ( 4.250 0.000 1.895) 4.654 5.400 ( -4.520 0.000 2.110) 4.988 5.566 ( 5.109 0.000 3.452) 6.166 5.665 ( -2.926 -0.000 -0.356) 2.948 6.320 ( -0.423 -0.000 -4.675) 4.694 6.370 ( -3.470 -0.000 -4.164) 5.421 6.711 ( 12.227 0.000 0.205) 12.228 6.900 ( -4.538 0.000 2.427) 5.147 7.427 ( 7.310 0.000 4.015) 8.340 7.668 ( -12.692 0.000 0.144) 12.693 8.117 ( 1.318 0.000 2.474) 2.803 8.125 ( 1.356 0.000 3.312) 3.579 9.186 ( 0.822 0.000 4.711) 4.782 9.219 ( -1.592 -0.000 -0.409) 1.643 9.939 ( 0.815 -0.000 -4.897) 4.964 9.971 ( -1.895 -0.000 -6.503) 6.774 11.203 ( 3.989 0.000 3.584) 5.363 11.301 ( -4.250 0.000 1.748) 4.596 12.018 ( 10.414 0.000 5.525) 11.789 12.250 ( -8.757 0.000 4.685) 9.931 13.211 ( 0.350 -0.000 -8.780) 8.787 13.218 ( -0.259 -0.000 -9.633) 9.637 15.023 ( 1.336 0.000 0.002) 1.336 15.057 ( -1.456 -0.000 -0.256) 1.478 15.966 ( 1.662 0.000 6.853) 7.052 16.005 ( -1.538 0.000 7.014) 7.180 19.090 ( 0.051 0.000 1.355) 1.356 19.092 ( -0.067 0.000 1.229) 1.231 22.251 ( 0.110 -0.000 -0.745) 0.753 22.253 ( -0.105 -0.000 -0.609) 0.618 24.645 ( 0.068 0.000 0.274) 0.282 24.646 ( -0.065 0.000 0.280) 0.288 32.464 ( 0.045 -0.000 -0.308) 0.312 32.465 ( -0.049 -0.000 -0.274) 0.278 42.649 ( 0.422 0.000 0.236) 0.483 42.659 ( -0.412 0.000 0.438) 0.601 44.903 ( 0.337 -0.000 -5.035) 5.046 44.911 ( -0.336 -0.000 -4.881) 4.893 ======================= Grid point 345 (127/128) ======================= q-point: ( 0.00 -0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.000 -1.781 0.000) 1.781 2.604 ( 0.000 -4.989 0.000) 4.989 3.103 ( 0.000 -5.795 0.000) 5.795 3.313 ( 0.000 -0.163 0.000) 0.163 3.325 ( 0.000 2.683 -0.000) 2.683 3.462 ( 0.000 -1.486 0.000) 1.486 3.517 ( 0.000 -0.550 0.000) 0.550 3.559 ( 0.000 1.914 -0.000) 1.914 3.820 ( 0.000 -9.338 0.000) 9.338 4.038 ( 0.000 11.495 -0.000) 11.495 5.235 ( 0.000 -3.857 0.000) 3.857 5.456 ( 0.000 -2.612 0.000) 2.612 5.520 ( 0.000 -5.843 0.000) 5.843 5.675 ( 0.000 -0.423 0.000) 0.423 6.283 ( 0.000 -12.820 0.000) 12.820 6.435 ( 0.000 2.629 -0.000) 2.629 6.441 ( 0.000 1.562 -0.000) 1.562 6.935 ( 0.000 -4.765 0.000) 4.765 7.427 ( 0.000 2.219 -0.000) 2.219 7.853 ( 0.000 1.925 -0.000) 1.925 8.107 ( 0.000 1.822 -0.000) 1.822 8.173 ( 0.000 8.043 -0.000) 8.043 9.217 ( 0.000 -4.408 0.000) 4.408 9.218 ( 0.000 2.207 -0.000) 2.207 9.914 ( 0.000 3.282 -0.000) 3.282 9.970 ( 0.000 5.711 -0.000) 5.711 11.185 ( 0.000 -2.140 0.000) 2.140 11.368 ( 0.000 0.567 -0.000) 0.567 11.967 ( 0.000 6.201 -0.000) 6.201 12.405 ( 0.000 2.633 -0.000) 2.633 13.130 ( 0.000 0.047 -0.000) 0.047 13.130 ( 0.000 -0.075 0.000) 0.075 15.008 ( 0.000 -0.099 0.000) 0.099 15.082 ( 0.000 1.943 -0.000) 1.943 15.993 ( 0.000 -2.333 0.000) 2.333 16.086 ( 0.000 -0.077 0.000) 0.077 19.104 ( 0.000 0.555 -0.000) 0.555 19.109 ( 0.000 0.942 -0.000) 0.942 22.229 ( 0.000 -1.623 0.000) 1.623 22.260 ( 0.000 1.115 -0.000) 1.115 24.645 ( 0.000 -0.330 0.000) 0.330 24.648 ( 0.000 -0.250 0.000) 0.250 32.455 ( 0.000 -0.534 0.000) 0.534 32.471 ( 0.000 0.875 -0.000) 0.875 42.648 ( 0.000 1.000 -0.000) 1.000 42.687 ( 0.000 3.318 -0.000) 3.318 44.846 ( 0.000 -1.452 0.000) 1.452 44.867 ( 0.000 -1.243 0.000) 1.243 ======================= Grid point 346 (128/128) ======================= q-point: ( 0.33 -0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.20e-05 5.20e-05 5.20e-05 5.20e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 0.298 -2.523 0.000) 2.540 2.594 ( -0.603 -3.823 0.000) 3.870 3.238 ( 9.934 -6.596 0.000) 11.924 3.309 ( -0.282 -0.267 0.000) 0.388 3.323 ( 0.826 1.843 -0.000) 2.020 3.467 ( -2.303 -3.043 0.000) 3.816 3.496 ( -1.272 -1.282 0.000) 1.806 3.529 ( -3.314 1.487 -0.000) 3.633 3.812 ( 2.048 -2.003 0.000) 2.865 3.933 ( -7.197 7.647 -0.000) 10.501 5.286 ( 4.246 -3.852 0.000) 5.733 5.398 ( -4.945 -4.008 0.000) 6.365 5.581 ( 4.273 -2.698 0.000) 5.054 5.652 ( -1.969 -1.087 0.000) 2.249 6.242 ( -0.066 -6.943 0.000) 6.943 6.305 ( -4.458 -5.184 0.000) 6.837 6.725 ( 13.174 1.520 -0.000) 13.261 6.914 ( -3.381 -1.603 0.000) 3.741 7.473 ( 5.131 1.460 -0.000) 5.335 7.678 ( -11.834 2.028 -0.000) 12.007 8.152 ( 2.619 2.821 -0.000) 3.850 8.187 ( -0.065 5.487 -0.000) 5.487 9.212 ( -0.090 -3.053 0.000) 3.054 9.217 ( -0.242 1.482 -0.000) 1.501 9.915 ( 0.449 3.856 -0.000) 3.882 9.943 ( -1.842 5.213 -0.000) 5.529 11.232 ( 3.700 -1.090 0.000) 3.857 11.320 ( -3.708 0.307 -0.000) 3.721 12.092 ( 9.576 4.826 -0.000) 10.723 12.307 ( -8.196 3.180 -0.000) 8.791 13.130 ( 0.039 -0.000 0.000) 0.039 13.131 ( 0.017 -0.026 0.000) 0.031 15.025 ( 1.428 0.299 -0.000) 1.459 15.062 ( -1.608 1.317 -0.000) 2.078 16.018 ( 1.971 -1.674 0.000) 2.586 16.064 ( -1.812 -0.553 0.000) 1.895 19.105 ( 0.076 0.650 -0.000) 0.654 19.107 ( -0.094 0.843 -0.000) 0.848 22.237 ( 0.639 -0.939 0.000) 1.136 22.253 ( -0.636 0.430 -0.000) 0.767 24.646 ( 0.080 -0.309 0.000) 0.320 24.647 ( -0.076 -0.269 0.000) 0.280 32.459 ( 0.321 -0.180 0.000) 0.368 32.467 ( -0.324 0.524 -0.000) 0.616 42.658 ( 0.812 1.586 -0.000) 1.782 42.678 ( -0.797 2.745 -0.000) 2.858 44.852 ( 0.413 -1.400 0.000) 1.459 44.862 ( -0.414 -1.295 0.000) 1.360 =================== 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 3/32400 10.0 595.587 1025.457 598.617 -0.000 0.000 0.000 3/32400 20.0 127.159 187.333 109.029 -0.000 0.000 0.000 3/32400 30.0 51.261 80.457 49.027 -0.000 0.000 0.000 3/32400 40.0 28.686 47.957 30.223 -0.000 0.000 0.000 3/32400 50.0 18.927 32.822 21.185 -0.000 0.000 0.000 3/32400 60.0 13.782 24.393 16.033 -0.000 0.000 0.000 3/32400 70.0 10.710 19.174 12.786 -0.000 0.000 0.000 3/32400 80.0 8.710 15.695 10.591 -0.000 0.000 0.000 3/32400 90.0 7.321 13.242 9.027 -0.000 0.000 0.000 3/32400 100.0 6.308 11.435 7.865 -0.000 0.000 0.000 3/32400 110.0 5.539 10.058 6.972 -0.000 0.000 0.000 3/32400 120.0 4.938 8.977 6.267 -0.000 0.000 0.000 3/32400 130.0 4.456 8.108 5.697 -0.000 0.000 0.000 3/32400 140.0 4.061 7.396 5.227 -0.000 0.000 0.000 3/32400 150.0 3.732 6.802 4.833 -0.000 0.000 0.000 3/32400 160.0 3.454 6.299 4.499 -0.000 0.000 0.000 3/32400 170.0 3.215 5.868 4.210 -0.000 0.000 0.000 3/32400 180.0 3.009 5.494 3.959 -0.000 0.000 0.000 3/32400 190.0 2.828 5.167 3.739 -0.000 0.000 0.000 3/32400 200.0 2.668 4.879 3.543 -0.000 0.000 0.000 3/32400 210.0 2.526 4.623 3.369 -0.000 0.000 0.000 3/32400 220.0 2.399 4.394 3.212 -0.000 0.000 0.000 3/32400 230.0 2.285 4.187 3.071 -0.000 0.000 0.000 3/32400 240.0 2.181 4.001 2.942 -0.000 0.000 0.000 3/32400 250.0 2.087 3.831 2.825 -0.000 0.000 0.000 3/32400 260.0 2.001 3.676 2.718 -0.000 0.000 0.000 3/32400 270.0 1.922 3.535 2.619 -0.000 0.000 0.000 3/32400 280.0 1.850 3.404 2.528 -0.000 0.000 0.000 3/32400 290.0 1.782 3.284 2.444 -0.000 0.000 0.000 3/32400 300.0 1.720 3.173 2.366 -0.000 0.000 0.000 3/32400 310.0 1.663 3.070 2.294 -0.000 0.000 0.000 3/32400 320.0 1.609 2.974 2.226 -0.000 0.000 0.000 3/32400 330.0 1.559 2.884 2.163 -0.000 0.000 0.000 3/32400 340.0 1.512 2.801 2.104 -0.000 0.000 0.000 3/32400 350.0 1.467 2.723 2.049 -0.000 0.000 0.000 3/32400 360.0 1.426 2.649 1.997 -0.000 0.000 0.000 3/32400 370.0 1.387 2.580 1.948 -0.000 0.000 0.000 3/32400 380.0 1.350 2.515 1.902 -0.000 0.000 0.000 3/32400 390.0 1.315 2.454 1.858 -0.000 0.000 0.000 3/32400 400.0 1.282 2.396 1.816 -0.000 0.000 0.000 3/32400 410.0 1.251 2.341 1.777 -0.000 0.000 0.000 3/32400 420.0 1.222 2.289 1.740 -0.000 0.000 0.000 3/32400 430.0 1.193 2.240 1.704 -0.000 0.000 0.000 3/32400 440.0 1.167 2.193 1.671 -0.000 0.000 0.000 3/32400 450.0 1.141 2.148 1.639 -0.000 0.000 0.000 3/32400 460.0 1.117 2.105 1.608 -0.000 0.000 0.000 3/32400 470.0 1.093 2.065 1.578 -0.000 0.000 0.000 3/32400 480.0 1.071 2.026 1.550 -0.000 0.000 0.000 3/32400 490.0 1.050 1.988 1.523 -0.000 0.000 0.000 3/32400 500.0 1.029 1.952 1.497 -0.000 0.000 0.000 3/32400 510.0 1.009 1.918 1.472 -0.000 0.000 0.000 3/32400 520.0 0.990 1.885 1.448 -0.000 0.000 0.000 3/32400 530.0 0.972 1.853 1.425 -0.000 0.000 0.000 3/32400 540.0 0.955 1.823 1.403 -0.000 0.000 0.000 3/32400 550.0 0.938 1.793 1.382 -0.000 0.000 0.000 3/32400 560.0 0.922 1.765 1.361 -0.000 0.000 0.000 3/32400 570.0 0.906 1.738 1.341 -0.000 0.000 0.000 3/32400 580.0 0.891 1.711 1.322 -0.000 0.000 0.000 3/32400 590.0 0.877 1.686 1.303 -0.000 0.000 0.000 3/32400 600.0 0.862 1.661 1.285 -0.000 0.000 0.000 3/32400 610.0 0.849 1.637 1.267 -0.000 0.000 0.000 3/32400 620.0 0.836 1.614 1.250 -0.000 0.000 0.000 3/32400 630.0 0.823 1.591 1.233 -0.000 0.000 0.000 3/32400 640.0 0.810 1.569 1.217 -0.000 0.000 0.000 3/32400 650.0 0.798 1.548 1.202 -0.000 0.000 0.000 3/32400 660.0 0.787 1.528 1.186 -0.000 0.000 0.000 3/32400 670.0 0.776 1.508 1.172 -0.000 0.000 0.000 3/32400 680.0 0.765 1.488 1.157 -0.000 0.000 0.000 3/32400 690.0 0.754 1.469 1.143 -0.000 0.000 0.000 3/32400 700.0 0.744 1.451 1.129 -0.000 0.000 0.000 3/32400 710.0 0.734 1.433 1.116 -0.000 0.000 0.000 3/32400 720.0 0.724 1.415 1.103 -0.000 0.000 0.000 3/32400 730.0 0.714 1.398 1.090 -0.000 0.000 0.000 3/32400 740.0 0.705 1.382 1.078 -0.000 0.000 0.000 3/32400 750.0 0.696 1.366 1.066 -0.000 0.000 0.000 3/32400 760.0 0.687 1.350 1.054 -0.000 0.000 0.000 3/32400 770.0 0.679 1.334 1.042 -0.000 0.000 0.000 3/32400 780.0 0.670 1.319 1.031 -0.000 0.000 0.000 3/32400 790.0 0.662 1.305 1.020 -0.000 0.000 0.000 3/32400 800.0 0.654 1.290 1.009 -0.000 0.000 0.000 3/32400 810.0 0.646 1.276 0.999 -0.000 0.000 0.000 3/32400 820.0 0.639 1.262 0.988 -0.000 0.000 0.000 3/32400 830.0 0.631 1.249 0.978 -0.000 0.000 0.000 3/32400 840.0 0.624 1.236 0.968 -0.000 0.000 0.000 3/32400 850.0 0.617 1.223 0.959 -0.000 0.000 0.000 3/32400 860.0 0.610 1.210 0.949 -0.000 0.000 0.000 3/32400 870.0 0.604 1.198 0.940 -0.000 0.000 0.000 3/32400 880.0 0.597 1.186 0.931 -0.000 0.000 0.000 3/32400 890.0 0.590 1.174 0.922 -0.000 0.000 0.000 3/32400 900.0 0.584 1.163 0.913 -0.000 0.000 0.000 3/32400 910.0 0.578 1.151 0.904 -0.000 0.000 0.000 3/32400 920.0 0.572 1.140 0.896 -0.000 0.000 0.000 3/32400 930.0 0.566 1.129 0.887 -0.000 0.000 0.000 3/32400 940.0 0.560 1.118 0.879 -0.000 0.000 0.000 3/32400 950.0 0.555 1.108 0.871 -0.000 0.000 0.000 3/32400 960.0 0.549 1.098 0.863 -0.000 0.000 0.000 3/32400 970.0 0.543 1.087 0.856 -0.000 0.000 0.000 3/32400 980.0 0.538 1.078 0.848 -0.000 0.000 0.000 3/32400 990.0 0.533 1.068 0.841 -0.000 0.000 0.000 3/32400 1000.0 0.528 1.058 0.833 -0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m31515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:04:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|