----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:56:04]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.612011995000000 -3.237223315000000 0.000000000000000 b 5.612011995000000 3.237223315000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779096740000002 Atomic positions (fractional): *1 Ho 0.82990451202418 0.82990451202418 0.50000000000000 164.930 2 Ho 0.82990451202418 0.82990451202418 0.00000000000000 164.930 *3 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 4 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 5 Ho 0.17009548797582 0.17009548797582 0.00000000000000 164.930 6 Ho 0.17009548797582 0.17009548797582 0.50000000000000 164.930 *7 B 0.83419519239508 0.40808789069051 0.75000000000000 10.811 8 B 0.40808789069051 0.83419519239508 0.25000000000000 10.811 *9 B 0.92287604074762 0.07712395925238 0.25000000000000 10.811 10 B 0.07712395925238 0.92287604074762 0.75000000000000 10.811 11 B 0.59191210930949 0.16580480760492 0.75000000000000 10.811 12 B 0.16580480760492 0.59191210930949 0.25000000000000 10.811 *13 O 0.83456796143958 0.94554224116311 0.75000000000000 15.999 14 O 0.94554224116311 0.83456796143958 0.25000000000000 15.999 *15 O 0.83373239891173 0.51791733596395 0.89325458641241 15.999 16 O 0.83373239891173 0.51791733596395 0.60674541358759 15.999 17 O 0.51791733596395 0.83373239891173 0.39325458641241 15.999 18 O 0.51791733596395 0.83373239891173 0.10674541358759 15.999 *19 O 0.81421144452814 0.18578855547186 0.10493153734507 15.999 *20 O 0.38483318191104 0.61516681808896 0.25000000000000 15.999 21 O 0.81421144452814 0.18578855547186 0.39506846265493 15.999 22 O 0.18578855547186 0.81421144452814 0.60493153734507 15.999 23 O 0.18578855547186 0.81421144452814 0.89506846265493 15.999 24 O 0.61516681808896 0.38483318191104 0.75000000000000 15.999 25 O 0.48208266403605 0.16626760108827 0.60674541358759 15.999 26 O 0.16626760108827 0.48208266403605 0.10674541358759 15.999 27 O 0.48208266403605 0.16626760108827 0.89325458641241 15.999 28 O 0.16626760108827 0.48208266403605 0.39325458641241 15.999 29 O 0.05445775883689 0.16543203856042 0.75000000000000 15.999 30 O 0.16543203856042 0.05445775883689 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.224023989999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.474446630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779096740000002 Atomic positions (fractional): *1 Ho 0.32990451202418 0.50000000000000 0.50000000000000 164.930 > 1 2 Ho 0.32990451202418 0.50000000000000 0.00000000000000 164.930 > 2 *3 Ho 0.00000000000000 0.50000000000000 0.50000000000000 164.930 > 3 4 Ho 0.00000000000000 0.50000000000000 0.00000000000000 164.930 > 4 5 Ho 0.17009548797582 0.00000000000000 0.00000000000000 164.930 > 5 6 Ho 0.17009548797582 0.00000000000000 0.50000000000000 164.930 > 6 7 Ho 0.82990451202418 0.00000000000000 0.50000000000000 164.930 > 1 8 Ho 0.82990451202418 0.00000000000000 0.00000000000000 164.930 > 2 9 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 3 10 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 4 11 Ho 0.67009548797582 0.50000000000000 0.00000000000000 164.930 > 5 12 Ho 0.67009548797582 0.50000000000000 0.50000000000000 164.930 > 6 *13 B 0.12114154154279 0.28694634914772 0.75000000000000 10.811 > 7 14 B 0.12114154154279 0.71305365085228 0.25000000000000 10.811 > 8 *15 B 0.00000000000000 0.07712395925238 0.25000000000000 10.811 > 9 16 B 0.00000000000000 0.92287604074762 0.75000000000000 10.811 > 10 17 B 0.37885845845721 0.78694634914772 0.75000000000000 10.811 > 11 18 B 0.37885845845721 0.21305365085228 0.25000000000000 10.811 > 12 19 B 0.62114154154279 0.78694634914772 0.75000000000000 10.811 > 7 20 B 0.62114154154279 0.21305365085228 0.25000000000000 10.811 > 8 21 B 0.50000000000000 0.57712395925238 0.25000000000000 10.811 > 9 22 B 0.50000000000000 0.42287604074762 0.75000000000000 10.811 > 10 23 B 0.87885845845721 0.28694634914772 0.75000000000000 10.811 > 11 24 B 0.87885845845721 0.71305365085228 0.25000000000000 10.811 > 12 *25 O 0.39005510130135 0.55548713986176 0.75000000000000 15.999 > 13 26 O 0.39005510130135 0.44451286013824 0.25000000000000 15.999 > 14 *27 O 0.17582486743784 0.34209246852611 0.89325458641241 15.999 > 15 28 O 0.17582486743784 0.34209246852611 0.60674541358759 15.999 > 16 29 O 0.17582486743784 0.65790753147389 0.39325458641241 15.999 > 17 30 O 0.17582486743784 0.65790753147389 0.10674541358759 15.999 > 18 *31 O 0.00000000000000 0.18578855547186 0.10493153734507 15.999 > 19 *32 O 0.00000000000000 0.61516681808896 0.25000000000000 15.999 > 20 33 O 0.00000000000000 0.18578855547186 0.39506846265493 15.999 > 21 34 O 0.00000000000000 0.81421144452814 0.60493153734507 15.999 > 22 35 O 0.00000000000000 0.81421144452814 0.89506846265493 15.999 > 23 36 O 0.00000000000000 0.38483318191104 0.75000000000000 15.999 > 24 37 O 0.32417513256216 0.84209246852611 0.60674541358759 15.999 > 25 38 O 0.32417513256216 0.15790753147389 0.10674541358759 15.999 > 26 39 O 0.32417513256216 0.84209246852611 0.89325458641241 15.999 > 27 40 O 0.32417513256216 0.15790753147389 0.39325458641241 15.999 > 28 41 O 0.10994489869865 0.05548713986176 0.75000000000000 15.999 > 29 42 O 0.10994489869865 0.94451286013824 0.25000000000000 15.999 > 30 43 O 0.89005510130135 0.05548713986176 0.75000000000000 15.999 > 13 44 O 0.89005510130135 0.94451286013824 0.25000000000000 15.999 > 14 45 O 0.67582486743784 0.84209246852611 0.89325458641241 15.999 > 15 46 O 0.67582486743784 0.84209246852611 0.60674541358759 15.999 > 16 47 O 0.67582486743784 0.15790753147389 0.39325458641241 15.999 > 17 48 O 0.67582486743784 0.15790753147389 0.10674541358759 15.999 > 18 49 O 0.50000000000000 0.68578855547186 0.10493153734507 15.999 > 19 50 O 0.50000000000000 0.11516681808896 0.25000000000000 15.999 > 20 51 O 0.50000000000000 0.68578855547186 0.39506846265493 15.999 > 21 52 O 0.50000000000000 0.31421144452814 0.60493153734507 15.999 > 22 53 O 0.50000000000000 0.31421144452814 0.89506846265493 15.999 > 23 54 O 0.50000000000000 0.88483318191104 0.75000000000000 15.999 > 24 55 O 0.82417513256216 0.34209246852611 0.60674541358759 15.999 > 25 56 O 0.82417513256216 0.65790753147389 0.10674541358759 15.999 > 26 57 O 0.82417513256216 0.34209246852611 0.89325458641241 15.999 > 27 58 O 0.82417513256216 0.65790753147389 0.39325458641241 15.999 > 28 59 O 0.60994489869865 0.55548713986176 0.75000000000000 15.999 > 29 60 O 0.60994489869865 0.44451286013824 0.25000000000000 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.224023989999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.948893260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779096740000002 Atomic positions (fractional): *1 Ho 0.32990451202418 0.25000000000000 0.50000000000000 164.930 > 1 2 Ho 0.32990451202418 0.75000000000000 0.50000000000000 164.930 > 1 3 Ho 0.32990451202418 0.25000000000000 0.00000000000000 164.930 > 2 4 Ho 0.32990451202418 0.75000000000000 0.00000000000000 164.930 > 2 *5 Ho 0.00000000000000 0.25000000000000 0.50000000000000 164.930 > 3 6 Ho 0.00000000000000 0.75000000000000 0.50000000000000 164.930 > 3 7 Ho 0.00000000000000 0.25000000000000 0.00000000000000 164.930 > 4 8 Ho 0.00000000000000 0.75000000000000 0.00000000000000 164.930 > 4 9 Ho 0.17009548797582 0.00000000000000 0.00000000000000 164.930 > 5 10 Ho 0.17009548797582 0.50000000000000 0.00000000000000 164.930 > 5 11 Ho 0.17009548797582 0.00000000000000 0.50000000000000 164.930 > 6 12 Ho 0.17009548797582 0.50000000000000 0.50000000000000 164.930 > 6 13 Ho 0.82990451202418 0.00000000000000 0.50000000000000 164.930 > 1 14 Ho 0.82990451202418 0.50000000000000 0.50000000000000 164.930 > 1 15 Ho 0.82990451202418 0.00000000000000 0.00000000000000 164.930 > 2 16 Ho 0.82990451202418 0.50000000000000 0.00000000000000 164.930 > 2 17 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 3 18 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 3 19 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 4 20 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 4 21 Ho 0.67009548797582 0.25000000000000 0.00000000000000 164.930 > 5 22 Ho 0.67009548797582 0.75000000000000 0.00000000000000 164.930 > 5 23 Ho 0.67009548797582 0.25000000000000 0.50000000000000 164.930 > 6 24 Ho 0.67009548797582 0.75000000000000 0.50000000000000 164.930 > 6 *25 B 0.12114154154279 0.14347317457386 0.75000000000000 10.811 > 7 26 B 0.12114154154279 0.64347317457386 0.75000000000000 10.811 > 7 27 B 0.12114154154279 0.35652682542614 0.25000000000000 10.811 > 8 28 B 0.12114154154279 0.85652682542614 0.25000000000000 10.811 > 8 *29 B 0.00000000000000 0.03856197962619 0.25000000000000 10.811 > 9 30 B 0.00000000000000 0.53856197962619 0.25000000000000 10.811 > 9 31 B 0.00000000000000 0.46143802037381 0.75000000000000 10.811 > 10 32 B 0.00000000000000 0.96143802037381 0.75000000000000 10.811 > 10 33 B 0.37885845845721 0.39347317457386 0.75000000000000 10.811 > 11 34 B 0.37885845845721 0.89347317457386 0.75000000000000 10.811 > 11 35 B 0.37885845845721 0.10652682542614 0.25000000000000 10.811 > 12 36 B 0.37885845845721 0.60652682542614 0.25000000000000 10.811 > 12 37 B 0.62114154154279 0.39347317457386 0.75000000000000 10.811 > 7 38 B 0.62114154154279 0.89347317457386 0.75000000000000 10.811 > 7 39 B 0.62114154154279 0.10652682542614 0.25000000000000 10.811 > 8 40 B 0.62114154154279 0.60652682542614 0.25000000000000 10.811 > 8 41 B 0.50000000000000 0.28856197962619 0.25000000000000 10.811 > 9 42 B 0.50000000000000 0.78856197962619 0.25000000000000 10.811 > 9 43 B 0.50000000000000 0.21143802037381 0.75000000000000 10.811 > 10 44 B 0.50000000000000 0.71143802037381 0.75000000000000 10.811 > 10 45 B 0.87885845845721 0.14347317457386 0.75000000000000 10.811 > 11 46 B 0.87885845845721 0.64347317457386 0.75000000000000 10.811 > 11 47 B 0.87885845845721 0.35652682542614 0.25000000000000 10.811 > 12 48 B 0.87885845845721 0.85652682542614 0.25000000000000 10.811 > 12 *49 O 0.39005510130135 0.27774356993088 0.75000000000000 15.999 > 13 50 O 0.39005510130135 0.77774356993088 0.75000000000000 15.999 > 13 51 O 0.39005510130135 0.22225643006912 0.25000000000000 15.999 > 14 52 O 0.39005510130135 0.72225643006912 0.25000000000000 15.999 > 14 *53 O 0.17582486743784 0.17104623426306 0.89325458641241 15.999 > 15 54 O 0.17582486743784 0.67104623426306 0.89325458641241 15.999 > 15 55 O 0.17582486743784 0.17104623426306 0.60674541358759 15.999 > 16 56 O 0.17582486743784 0.67104623426306 0.60674541358759 15.999 > 16 57 O 0.17582486743784 0.32895376573694 0.39325458641241 15.999 > 17 58 O 0.17582486743784 0.82895376573694 0.39325458641241 15.999 > 17 59 O 0.17582486743784 0.32895376573694 0.10674541358759 15.999 > 18 60 O 0.17582486743784 0.82895376573694 0.10674541358759 15.999 > 18 *61 O 0.00000000000000 0.09289427773593 0.10493153734507 15.999 > 19 62 O 0.00000000000000 0.59289427773593 0.10493153734507 15.999 > 19 *63 O 0.00000000000000 0.30758340904448 0.25000000000000 15.999 > 20 64 O 0.00000000000000 0.80758340904448 0.25000000000000 15.999 > 20 65 O 0.00000000000000 0.09289427773593 0.39506846265493 15.999 > 21 66 O 0.00000000000000 0.59289427773593 0.39506846265493 15.999 > 21 67 O 0.00000000000000 0.40710572226407 0.60493153734507 15.999 > 22 68 O 0.00000000000000 0.90710572226407 0.60493153734507 15.999 > 22 69 O 0.00000000000000 0.40710572226407 0.89506846265493 15.999 > 23 70 O 0.00000000000000 0.90710572226407 0.89506846265493 15.999 > 23 71 O 0.00000000000000 0.19241659095552 0.75000000000000 15.999 > 24 72 O 0.00000000000000 0.69241659095552 0.75000000000000 15.999 > 24 73 O 0.32417513256216 0.42104623426306 0.60674541358759 15.999 > 25 74 O 0.32417513256216 0.92104623426306 0.60674541358759 15.999 > 25 75 O 0.32417513256216 0.07895376573694 0.10674541358759 15.999 > 26 76 O 0.32417513256216 0.57895376573694 0.10674541358759 15.999 > 26 77 O 0.32417513256216 0.42104623426306 0.89325458641241 15.999 > 27 78 O 0.32417513256216 0.92104623426306 0.89325458641241 15.999 > 27 79 O 0.32417513256216 0.07895376573694 0.39325458641241 15.999 > 28 80 O 0.32417513256216 0.57895376573694 0.39325458641241 15.999 > 28 81 O 0.10994489869865 0.02774356993088 0.75000000000000 15.999 > 29 82 O 0.10994489869865 0.52774356993088 0.75000000000000 15.999 > 29 83 O 0.10994489869865 0.47225643006912 0.25000000000000 15.999 > 30 84 O 0.10994489869865 0.97225643006912 0.25000000000000 15.999 > 30 85 O 0.89005510130135 0.02774356993088 0.75000000000000 15.999 > 13 86 O 0.89005510130135 0.52774356993088 0.75000000000000 15.999 > 13 87 O 0.89005510130135 0.47225643006912 0.25000000000000 15.999 > 14 88 O 0.89005510130135 0.97225643006912 0.25000000000000 15.999 > 14 89 O 0.67582486743784 0.42104623426306 0.89325458641241 15.999 > 15 90 O 0.67582486743784 0.92104623426306 0.89325458641241 15.999 > 15 91 O 0.67582486743784 0.42104623426306 0.60674541358759 15.999 > 16 92 O 0.67582486743784 0.92104623426306 0.60674541358759 15.999 > 16 93 O 0.67582486743784 0.07895376573694 0.39325458641241 15.999 > 17 94 O 0.67582486743784 0.57895376573694 0.39325458641241 15.999 > 17 95 O 0.67582486743784 0.07895376573694 0.10674541358759 15.999 > 18 96 O 0.67582486743784 0.57895376573694 0.10674541358759 15.999 > 18 97 O 0.50000000000000 0.34289427773593 0.10493153734507 15.999 > 19 98 O 0.50000000000000 0.84289427773593 0.10493153734507 15.999 > 19 99 O 0.50000000000000 0.05758340904448 0.25000000000000 15.999 > 20 100 O 0.50000000000000 0.55758340904448 0.25000000000000 15.999 > 20 101 O 0.50000000000000 0.34289427773593 0.39506846265493 15.999 > 21 102 O 0.50000000000000 0.84289427773593 0.39506846265493 15.999 > 21 103 O 0.50000000000000 0.15710572226407 0.60493153734507 15.999 > 22 104 O 0.50000000000000 0.65710572226407 0.60493153734507 15.999 > 22 105 O 0.50000000000000 0.15710572226407 0.89506846265493 15.999 > 23 106 O 0.50000000000000 0.65710572226407 0.89506846265493 15.999 > 23 107 O 0.50000000000000 0.44241659095552 0.75000000000000 15.999 > 24 108 O 0.50000000000000 0.94241659095552 0.75000000000000 15.999 > 24 109 O 0.82417513256216 0.17104623426306 0.60674541358759 15.999 > 25 110 O 0.82417513256216 0.67104623426306 0.60674541358759 15.999 > 25 111 O 0.82417513256216 0.32895376573694 0.10674541358759 15.999 > 26 112 O 0.82417513256216 0.82895376573694 0.10674541358759 15.999 > 26 113 O 0.82417513256216 0.17104623426306 0.89325458641241 15.999 > 27 114 O 0.82417513256216 0.67104623426306 0.89325458641241 15.999 > 27 115 O 0.82417513256216 0.32895376573694 0.39325458641241 15.999 > 28 116 O 0.82417513256216 0.82895376573694 0.39325458641241 15.999 > 28 117 O 0.60994489869865 0.27774356993088 0.75000000000000 15.999 > 29 118 O 0.60994489869865 0.77774356993088 0.75000000000000 15.999 > 29 119 O 0.60994489869865 0.22225643006912 0.25000000000000 15.999 > 30 120 O 0.60994489869865 0.72225643006912 0.25000000000000 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5438235 0.0000000 0.0000000 0.0000000 3.5502113 0.0000000 0.0000000 0.0000000 3.6207915 -------------------------- Born effective charges -------------------------- 1 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 0.0850799 0.0000000 0.0667233 3.7194077 2 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 -0.0850799 0.0000000 -0.0667233 3.7194077 3 Ho 3.5623713 0.0000000 0.0000000 0.0000000 4.3228679 -0.2730500 0.0000000 -0.1727547 3.7642094 4 Ho 3.5623713 0.0000000 0.0000000 0.0000000 4.3228679 0.2730500 0.0000000 0.1727547 3.7642094 5 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 -0.0850799 0.0000000 -0.0667233 3.7194077 6 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 0.0850799 0.0000000 0.0667233 3.7194077 7 B 2.1687543 0.0270620 0.0000000 0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 8 B 2.1687543 -0.0270620 0.0000000 -0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 9 B 2.1600054 0.0000000 0.0000000 0.0000000 2.2031732 0.0000000 0.0000000 0.0000000 2.9655389 10 B 2.1600054 0.0000000 0.0000000 0.0000000 2.2031732 0.0000000 0.0000000 0.0000000 2.9655389 11 B 2.1687543 -0.0270620 0.0000000 -0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 12 B 2.1687543 0.0270620 0.0000000 0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 13 O -1.5613307 0.5038908 0.0000000 0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 14 O -1.5613307 -0.5038908 0.0000000 -0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 15 O -2.2197602 -0.2096929 -0.4859157 -0.2558057 -1.9522294 -0.2851335 -0.5418602 -0.3131752 -2.1841949 16 O -2.2197602 -0.2096929 0.4859157 -0.2558057 -1.9522294 0.2851335 0.5418602 0.3131752 -2.1841949 17 O -2.2197602 0.2096929 -0.4859157 0.2558057 -1.9522294 0.2851335 -0.5418602 0.3131752 -2.1841949 18 O -2.2197602 0.2096929 0.4859157 0.2558057 -1.9522294 -0.2851335 0.5418602 -0.3131752 -2.1841949 19 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 0.5516330 0.0000000 0.6304181 -2.2678006 20 O -2.4971563 0.0000000 0.0000000 0.0000000 -1.3125266 0.0000000 0.0000000 0.0000000 -2.2938297 21 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 -0.5516330 0.0000000 -0.6304181 -2.2678006 22 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 -0.5516330 0.0000000 -0.6304181 -2.2678006 23 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 0.5516330 0.0000000 0.6304181 -2.2678006 24 O -2.4971563 0.0000000 0.0000000 0.0000000 -1.3125266 0.0000000 0.0000000 0.0000000 -2.2938297 25 O -2.2197602 0.2096929 -0.4859157 0.2558057 -1.9522294 0.2851335 -0.5418602 0.3131752 -2.1841949 26 O -2.2197602 -0.2096929 -0.4859157 -0.2558057 -1.9522294 -0.2851335 -0.5418602 -0.3131752 -2.1841949 27 O -2.2197602 0.2096929 0.4859157 0.2558057 -1.9522294 -0.2851335 0.5418602 -0.3131752 -2.1841949 28 O -2.2197602 -0.2096929 0.4859157 -0.2558057 -1.9522294 0.2851335 0.5418602 0.3131752 -2.1841949 29 O -1.5613307 -0.5038908 0.0000000 -0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 30 O -1.5613307 0.5038908 0.0000000 0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2234 Number of blocks in projector: 2234 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2234, 2194), data: False |-- (328, 326), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (430, 422), data: True |-- (456, 450), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.682 Solver_block: 200 / 480 - Time: 0.629 Solver_block: 300 / 480 - Time: 0.620 Solver_block: 400 / 480 - Time: 0.628 Solver_block: 480 / 480 - Time: 0.531 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.170 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2234 Number of blocks in projector: 2234 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2234, 2194), data: False |-- (328, 326), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (430, 422), data: True |-- (456, 450), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:56:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:56:29]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.612011995000000 -3.237223315000000 0.000000000000000 b 5.612011995000000 3.237223315000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779096740000002 Atomic positions (fractional): 1 Ho 0.82990451202418 0.82990451202418 0.50000000000000 164.930 2 Ho 0.82990451202418 0.82990451202418 0.00000000000000 164.930 3 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 4 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 5 Ho 0.17009548797582 0.17009548797582 0.00000000000000 164.930 6 Ho 0.17009548797582 0.17009548797582 0.50000000000000 164.930 7 B 0.83419519239508 0.40808789069051 0.75000000000000 10.811 8 B 0.40808789069051 0.83419519239508 0.25000000000000 10.811 9 B 0.92287604074762 0.07712395925238 0.25000000000000 10.811 10 B 0.07712395925238 0.92287604074762 0.75000000000000 10.811 11 B 0.59191210930949 0.16580480760492 0.75000000000000 10.811 12 B 0.16580480760492 0.59191210930949 0.25000000000000 10.811 13 O 0.83456796143958 0.94554224116311 0.75000000000000 15.999 14 O 0.94554224116311 0.83456796143958 0.25000000000000 15.999 15 O 0.83373239891173 0.51791733596395 0.89325458641241 15.999 16 O 0.83373239891173 0.51791733596395 0.60674541358759 15.999 17 O 0.51791733596395 0.83373239891173 0.39325458641241 15.999 18 O 0.51791733596395 0.83373239891173 0.10674541358759 15.999 19 O 0.81421144452814 0.18578855547186 0.10493153734507 15.999 20 O 0.38483318191104 0.61516681808896 0.25000000000000 15.999 21 O 0.81421144452814 0.18578855547186 0.39506846265493 15.999 22 O 0.18578855547186 0.81421144452814 0.60493153734507 15.999 23 O 0.18578855547186 0.81421144452814 0.89506846265493 15.999 24 O 0.61516681808896 0.38483318191104 0.75000000000000 15.999 25 O 0.48208266403605 0.16626760108827 0.60674541358759 15.999 26 O 0.16626760108827 0.48208266403605 0.10674541358759 15.999 27 O 0.48208266403605 0.16626760108827 0.89325458641241 15.999 28 O 0.16626760108827 0.48208266403605 0.39325458641241 15.999 29 O 0.05445775883689 0.16543203856042 0.75000000000000 15.999 30 O 0.16543203856042 0.05445775883689 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.224023989999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.948893260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779096740000002 Atomic positions (fractional): 1 Ho 0.32990451202418 0.25000000000000 0.50000000000000 164.930 > 1 2 Ho 0.32990451202418 0.75000000000000 0.50000000000000 164.930 > 1 3 Ho 0.32990451202418 0.25000000000000 0.00000000000000 164.930 > 3 4 Ho 0.32990451202418 0.75000000000000 0.00000000000000 164.930 > 3 5 Ho 0.00000000000000 0.25000000000000 0.50000000000000 164.930 > 5 6 Ho 0.00000000000000 0.75000000000000 0.50000000000000 164.930 > 5 7 Ho 0.00000000000000 0.25000000000000 0.00000000000000 164.930 > 7 8 Ho 0.00000000000000 0.75000000000000 0.00000000000000 164.930 > 7 9 Ho 0.17009548797582 0.00000000000000 0.00000000000000 164.930 > 9 10 Ho 0.17009548797582 0.50000000000000 0.00000000000000 164.930 > 9 11 Ho 0.17009548797582 0.00000000000000 0.50000000000000 164.930 > 11 12 Ho 0.17009548797582 0.50000000000000 0.50000000000000 164.930 > 11 13 Ho 0.82990451202418 0.00000000000000 0.50000000000000 164.930 > 1 14 Ho 0.82990451202418 0.50000000000000 0.50000000000000 164.930 > 1 15 Ho 0.82990451202418 0.00000000000000 0.00000000000000 164.930 > 3 16 Ho 0.82990451202418 0.50000000000000 0.00000000000000 164.930 > 3 17 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 5 18 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 5 19 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 7 20 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 7 21 Ho 0.67009548797582 0.25000000000000 0.00000000000000 164.930 > 9 22 Ho 0.67009548797582 0.75000000000000 0.00000000000000 164.930 > 9 23 Ho 0.67009548797582 0.25000000000000 0.50000000000000 164.930 > 11 24 Ho 0.67009548797582 0.75000000000000 0.50000000000000 164.930 > 11 25 B 0.12114154154279 0.14347317457386 0.75000000000000 10.811 > 25 26 B 0.12114154154279 0.64347317457386 0.75000000000000 10.811 > 25 27 B 0.12114154154279 0.35652682542614 0.25000000000000 10.811 > 27 28 B 0.12114154154279 0.85652682542614 0.25000000000000 10.811 > 27 29 B 0.00000000000000 0.03856197962619 0.25000000000000 10.811 > 29 30 B 0.00000000000000 0.53856197962619 0.25000000000000 10.811 > 29 31 B 0.00000000000000 0.46143802037381 0.75000000000000 10.811 > 31 32 B 0.00000000000000 0.96143802037381 0.75000000000000 10.811 > 31 33 B 0.37885845845721 0.39347317457386 0.75000000000000 10.811 > 33 34 B 0.37885845845721 0.89347317457386 0.75000000000000 10.811 > 33 35 B 0.37885845845721 0.10652682542614 0.25000000000000 10.811 > 35 36 B 0.37885845845721 0.60652682542614 0.25000000000000 10.811 > 35 37 B 0.62114154154279 0.39347317457386 0.75000000000000 10.811 > 25 38 B 0.62114154154279 0.89347317457386 0.75000000000000 10.811 > 25 39 B 0.62114154154279 0.10652682542614 0.25000000000000 10.811 > 27 40 B 0.62114154154279 0.60652682542614 0.25000000000000 10.811 > 27 41 B 0.50000000000000 0.28856197962619 0.25000000000000 10.811 > 29 42 B 0.50000000000000 0.78856197962619 0.25000000000000 10.811 > 29 43 B 0.50000000000000 0.21143802037381 0.75000000000000 10.811 > 31 44 B 0.50000000000000 0.71143802037381 0.75000000000000 10.811 > 31 45 B 0.87885845845721 0.14347317457386 0.75000000000000 10.811 > 33 46 B 0.87885845845721 0.64347317457386 0.75000000000000 10.811 > 33 47 B 0.87885845845721 0.35652682542614 0.25000000000000 10.811 > 35 48 B 0.87885845845721 0.85652682542614 0.25000000000000 10.811 > 35 49 O 0.39005510130135 0.27774356993088 0.75000000000000 15.999 > 49 50 O 0.39005510130135 0.77774356993088 0.75000000000000 15.999 > 49 51 O 0.39005510130135 0.22225643006912 0.25000000000000 15.999 > 51 52 O 0.39005510130135 0.72225643006912 0.25000000000000 15.999 > 51 53 O 0.17582486743784 0.17104623426306 0.89325458641241 15.999 > 53 54 O 0.17582486743784 0.67104623426306 0.89325458641241 15.999 > 53 55 O 0.17582486743784 0.17104623426306 0.60674541358759 15.999 > 55 56 O 0.17582486743784 0.67104623426306 0.60674541358759 15.999 > 55 57 O 0.17582486743784 0.32895376573694 0.39325458641241 15.999 > 57 58 O 0.17582486743784 0.82895376573694 0.39325458641241 15.999 > 57 59 O 0.17582486743784 0.32895376573694 0.10674541358759 15.999 > 59 60 O 0.17582486743784 0.82895376573694 0.10674541358759 15.999 > 59 61 O 0.00000000000000 0.09289427773593 0.10493153734507 15.999 > 61 62 O 0.00000000000000 0.59289427773593 0.10493153734507 15.999 > 61 63 O 0.00000000000000 0.30758340904448 0.25000000000000 15.999 > 63 64 O 0.00000000000000 0.80758340904448 0.25000000000000 15.999 > 63 65 O 0.00000000000000 0.09289427773593 0.39506846265493 15.999 > 65 66 O 0.00000000000000 0.59289427773593 0.39506846265493 15.999 > 65 67 O 0.00000000000000 0.40710572226407 0.60493153734507 15.999 > 67 68 O 0.00000000000000 0.90710572226407 0.60493153734507 15.999 > 67 69 O 0.00000000000000 0.40710572226407 0.89506846265493 15.999 > 69 70 O 0.00000000000000 0.90710572226407 0.89506846265493 15.999 > 69 71 O 0.00000000000000 0.19241659095552 0.75000000000000 15.999 > 71 72 O 0.00000000000000 0.69241659095552 0.75000000000000 15.999 > 71 73 O 0.32417513256216 0.42104623426306 0.60674541358759 15.999 > 73 74 O 0.32417513256216 0.92104623426306 0.60674541358759 15.999 > 73 75 O 0.32417513256216 0.07895376573694 0.10674541358759 15.999 > 75 76 O 0.32417513256216 0.57895376573694 0.10674541358759 15.999 > 75 77 O 0.32417513256216 0.42104623426306 0.89325458641241 15.999 > 77 78 O 0.32417513256216 0.92104623426306 0.89325458641241 15.999 > 77 79 O 0.32417513256216 0.07895376573694 0.39325458641241 15.999 > 79 80 O 0.32417513256216 0.57895376573694 0.39325458641241 15.999 > 79 81 O 0.10994489869865 0.02774356993088 0.75000000000000 15.999 > 81 82 O 0.10994489869865 0.52774356993088 0.75000000000000 15.999 > 81 83 O 0.10994489869865 0.47225643006912 0.25000000000000 15.999 > 83 84 O 0.10994489869865 0.97225643006912 0.25000000000000 15.999 > 83 85 O 0.89005510130135 0.02774356993088 0.75000000000000 15.999 > 49 86 O 0.89005510130135 0.52774356993088 0.75000000000000 15.999 > 49 87 O 0.89005510130135 0.47225643006912 0.25000000000000 15.999 > 51 88 O 0.89005510130135 0.97225643006912 0.25000000000000 15.999 > 51 89 O 0.67582486743784 0.42104623426306 0.89325458641241 15.999 > 53 90 O 0.67582486743784 0.92104623426306 0.89325458641241 15.999 > 53 91 O 0.67582486743784 0.42104623426306 0.60674541358759 15.999 > 55 92 O 0.67582486743784 0.92104623426306 0.60674541358759 15.999 > 55 93 O 0.67582486743784 0.07895376573694 0.39325458641241 15.999 > 57 94 O 0.67582486743784 0.57895376573694 0.39325458641241 15.999 > 57 95 O 0.67582486743784 0.07895376573694 0.10674541358759 15.999 > 59 96 O 0.67582486743784 0.57895376573694 0.10674541358759 15.999 > 59 97 O 0.50000000000000 0.34289427773593 0.10493153734507 15.999 > 61 98 O 0.50000000000000 0.84289427773593 0.10493153734507 15.999 > 61 99 O 0.50000000000000 0.05758340904448 0.25000000000000 15.999 > 63 100 O 0.50000000000000 0.55758340904448 0.25000000000000 15.999 > 63 101 O 0.50000000000000 0.34289427773593 0.39506846265493 15.999 > 65 102 O 0.50000000000000 0.84289427773593 0.39506846265493 15.999 > 65 103 O 0.50000000000000 0.15710572226407 0.60493153734507 15.999 > 67 104 O 0.50000000000000 0.65710572226407 0.60493153734507 15.999 > 67 105 O 0.50000000000000 0.15710572226407 0.89506846265493 15.999 > 69 106 O 0.50000000000000 0.65710572226407 0.89506846265493 15.999 > 69 107 O 0.50000000000000 0.44241659095552 0.75000000000000 15.999 > 71 108 O 0.50000000000000 0.94241659095552 0.75000000000000 15.999 > 71 109 O 0.82417513256216 0.17104623426306 0.60674541358759 15.999 > 73 110 O 0.82417513256216 0.67104623426306 0.60674541358759 15.999 > 73 111 O 0.82417513256216 0.32895376573694 0.10674541358759 15.999 > 75 112 O 0.82417513256216 0.82895376573694 0.10674541358759 15.999 > 75 113 O 0.82417513256216 0.17104623426306 0.89325458641241 15.999 > 77 114 O 0.82417513256216 0.67104623426306 0.89325458641241 15.999 > 77 115 O 0.82417513256216 0.32895376573694 0.39325458641241 15.999 > 79 116 O 0.82417513256216 0.82895376573694 0.39325458641241 15.999 > 79 117 O 0.60994489869865 0.27774356993088 0.75000000000000 15.999 > 81 118 O 0.60994489869865 0.77774356993088 0.75000000000000 15.999 > 81 119 O 0.60994489869865 0.22225643006912 0.25000000000000 15.999 > 83 120 O 0.60994489869865 0.72225643006912 0.25000000000000 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5438235 0.0000000 0.0000000 0.0000000 3.5502113 0.0000000 0.0000000 0.0000000 3.6207915 -------------------------- Born effective charges -------------------------- 1 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 0.0850799 0.0000000 0.0667233 3.7194077 2 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 -0.0850799 0.0000000 -0.0667233 3.7194077 3 Ho 3.5623713 0.0000000 0.0000000 0.0000000 4.3228679 -0.2730500 0.0000000 -0.1727547 3.7642094 4 Ho 3.5623713 0.0000000 0.0000000 0.0000000 4.3228679 0.2730500 0.0000000 0.1727547 3.7642094 5 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 -0.0850799 0.0000000 -0.0667233 3.7194077 6 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 0.0850799 0.0000000 0.0667233 3.7194077 7 B 2.1687543 0.0270620 0.0000000 0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 8 B 2.1687543 -0.0270620 0.0000000 -0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 9 B 2.1600054 0.0000000 0.0000000 0.0000000 2.2031732 0.0000000 0.0000000 0.0000000 2.9655389 10 B 2.1600054 0.0000000 0.0000000 0.0000000 2.2031732 0.0000000 0.0000000 0.0000000 2.9655389 11 B 2.1687543 -0.0270620 0.0000000 -0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 12 B 2.1687543 0.0270620 0.0000000 0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 13 O -1.5613307 0.5038908 0.0000000 0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 14 O -1.5613307 -0.5038908 0.0000000 -0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 15 O -2.2197602 -0.2096929 -0.4859157 -0.2558057 -1.9522294 -0.2851335 -0.5418602 -0.3131752 -2.1841949 16 O -2.2197602 -0.2096929 0.4859157 -0.2558057 -1.9522294 0.2851335 0.5418602 0.3131752 -2.1841949 17 O -2.2197602 0.2096929 -0.4859157 0.2558057 -1.9522294 0.2851335 -0.5418602 0.3131752 -2.1841949 18 O -2.2197602 0.2096929 0.4859157 0.2558057 -1.9522294 -0.2851335 0.5418602 -0.3131752 -2.1841949 19 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 0.5516330 0.0000000 0.6304181 -2.2678006 20 O -2.4971563 0.0000000 0.0000000 0.0000000 -1.3125266 0.0000000 0.0000000 0.0000000 -2.2938297 21 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 -0.5516330 0.0000000 -0.6304181 -2.2678006 22 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 -0.5516330 0.0000000 -0.6304181 -2.2678006 23 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 0.5516330 0.0000000 0.6304181 -2.2678006 24 O -2.4971563 0.0000000 0.0000000 0.0000000 -1.3125266 0.0000000 0.0000000 0.0000000 -2.2938297 25 O -2.2197602 0.2096929 -0.4859157 0.2558057 -1.9522294 0.2851335 -0.5418602 0.3131752 -2.1841949 26 O -2.2197602 -0.2096929 -0.4859157 -0.2558057 -1.9522294 -0.2851335 -0.5418602 -0.3131752 -2.1841949 27 O -2.2197602 0.2096929 0.4859157 0.2558057 -1.9522294 -0.2851335 0.5418602 -0.3131752 -2.1841949 28 O -2.2197602 -0.2096929 0.4859157 -0.2558057 -1.9522294 0.2851335 0.5418602 0.3131752 -2.1841949 29 O -1.5613307 -0.5038908 0.0000000 -0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 30 O -1.5613307 0.5038908 0.0000000 0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 ---------------------------------------------------------------------------- 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[ 5, 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[ 25, 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[ 29, 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[ 61, 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[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 22:56:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:57:00]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.612011995000000 -3.237223315000000 0.000000000000000 b 5.612011995000000 3.237223315000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779096740000002 Atomic positions (fractional): 1 Ho 0.82990451202418 0.82990451202418 0.50000000000000 164.930 2 Ho 0.82990451202418 0.82990451202418 0.00000000000000 164.930 3 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 4 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 5 Ho 0.17009548797582 0.17009548797582 0.00000000000000 164.930 6 Ho 0.17009548797582 0.17009548797582 0.50000000000000 164.930 7 B 0.83419519239508 0.40808789069051 0.75000000000000 10.811 8 B 0.40808789069051 0.83419519239508 0.25000000000000 10.811 9 B 0.92287604074762 0.07712395925238 0.25000000000000 10.811 10 B 0.07712395925238 0.92287604074762 0.75000000000000 10.811 11 B 0.59191210930949 0.16580480760492 0.75000000000000 10.811 12 B 0.16580480760492 0.59191210930949 0.25000000000000 10.811 13 O 0.83456796143958 0.94554224116311 0.75000000000000 15.999 14 O 0.94554224116311 0.83456796143958 0.25000000000000 15.999 15 O 0.83373239891173 0.51791733596395 0.89325458641241 15.999 16 O 0.83373239891173 0.51791733596395 0.60674541358759 15.999 17 O 0.51791733596395 0.83373239891173 0.39325458641241 15.999 18 O 0.51791733596395 0.83373239891173 0.10674541358759 15.999 19 O 0.81421144452814 0.18578855547186 0.10493153734507 15.999 20 O 0.38483318191104 0.61516681808896 0.25000000000000 15.999 21 O 0.81421144452814 0.18578855547186 0.39506846265493 15.999 22 O 0.18578855547186 0.81421144452814 0.60493153734507 15.999 23 O 0.18578855547186 0.81421144452814 0.89506846265493 15.999 24 O 0.61516681808896 0.38483318191104 0.75000000000000 15.999 25 O 0.48208266403605 0.16626760108827 0.60674541358759 15.999 26 O 0.16626760108827 0.48208266403605 0.10674541358759 15.999 27 O 0.48208266403605 0.16626760108827 0.89325458641241 15.999 28 O 0.16626760108827 0.48208266403605 0.39325458641241 15.999 29 O 0.05445775883689 0.16543203856042 0.75000000000000 15.999 30 O 0.16543203856042 0.05445775883689 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.224023989999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.948893260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.779096740000002 Atomic positions (fractional): 1 Ho 0.32990451202418 0.25000000000000 0.50000000000000 164.930 > 1 2 Ho 0.32990451202418 0.75000000000000 0.50000000000000 164.930 > 1 3 Ho 0.32990451202418 0.25000000000000 0.00000000000000 164.930 > 3 4 Ho 0.32990451202418 0.75000000000000 0.00000000000000 164.930 > 3 5 Ho 0.00000000000000 0.25000000000000 0.50000000000000 164.930 > 5 6 Ho 0.00000000000000 0.75000000000000 0.50000000000000 164.930 > 5 7 Ho 0.00000000000000 0.25000000000000 0.00000000000000 164.930 > 7 8 Ho 0.00000000000000 0.75000000000000 0.00000000000000 164.930 > 7 9 Ho 0.17009548797582 0.00000000000000 0.00000000000000 164.930 > 9 10 Ho 0.17009548797582 0.50000000000000 0.00000000000000 164.930 > 9 11 Ho 0.17009548797582 0.00000000000000 0.50000000000000 164.930 > 11 12 Ho 0.17009548797582 0.50000000000000 0.50000000000000 164.930 > 11 13 Ho 0.82990451202418 0.00000000000000 0.50000000000000 164.930 > 1 14 Ho 0.82990451202418 0.50000000000000 0.50000000000000 164.930 > 1 15 Ho 0.82990451202418 0.00000000000000 0.00000000000000 164.930 > 3 16 Ho 0.82990451202418 0.50000000000000 0.00000000000000 164.930 > 3 17 Ho 0.50000000000000 0.00000000000000 0.50000000000000 164.930 > 5 18 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 5 19 Ho 0.50000000000000 0.00000000000000 0.00000000000000 164.930 > 7 20 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 7 21 Ho 0.67009548797582 0.25000000000000 0.00000000000000 164.930 > 9 22 Ho 0.67009548797582 0.75000000000000 0.00000000000000 164.930 > 9 23 Ho 0.67009548797582 0.25000000000000 0.50000000000000 164.930 > 11 24 Ho 0.67009548797582 0.75000000000000 0.50000000000000 164.930 > 11 25 B 0.12114154154279 0.14347317457386 0.75000000000000 10.811 > 25 26 B 0.12114154154279 0.64347317457386 0.75000000000000 10.811 > 25 27 B 0.12114154154279 0.35652682542614 0.25000000000000 10.811 > 27 28 B 0.12114154154279 0.85652682542614 0.25000000000000 10.811 > 27 29 B 0.00000000000000 0.03856197962619 0.25000000000000 10.811 > 29 30 B 0.00000000000000 0.53856197962619 0.25000000000000 10.811 > 29 31 B 0.00000000000000 0.46143802037381 0.75000000000000 10.811 > 31 32 B 0.00000000000000 0.96143802037381 0.75000000000000 10.811 > 31 33 B 0.37885845845721 0.39347317457386 0.75000000000000 10.811 > 33 34 B 0.37885845845721 0.89347317457386 0.75000000000000 10.811 > 33 35 B 0.37885845845721 0.10652682542614 0.25000000000000 10.811 > 35 36 B 0.37885845845721 0.60652682542614 0.25000000000000 10.811 > 35 37 B 0.62114154154279 0.39347317457386 0.75000000000000 10.811 > 25 38 B 0.62114154154279 0.89347317457386 0.75000000000000 10.811 > 25 39 B 0.62114154154279 0.10652682542614 0.25000000000000 10.811 > 27 40 B 0.62114154154279 0.60652682542614 0.25000000000000 10.811 > 27 41 B 0.50000000000000 0.28856197962619 0.25000000000000 10.811 > 29 42 B 0.50000000000000 0.78856197962619 0.25000000000000 10.811 > 29 43 B 0.50000000000000 0.21143802037381 0.75000000000000 10.811 > 31 44 B 0.50000000000000 0.71143802037381 0.75000000000000 10.811 > 31 45 B 0.87885845845721 0.14347317457386 0.75000000000000 10.811 > 33 46 B 0.87885845845721 0.64347317457386 0.75000000000000 10.811 > 33 47 B 0.87885845845721 0.35652682542614 0.25000000000000 10.811 > 35 48 B 0.87885845845721 0.85652682542614 0.25000000000000 10.811 > 35 49 O 0.39005510130135 0.27774356993088 0.75000000000000 15.999 > 49 50 O 0.39005510130135 0.77774356993088 0.75000000000000 15.999 > 49 51 O 0.39005510130135 0.22225643006912 0.25000000000000 15.999 > 51 52 O 0.39005510130135 0.72225643006912 0.25000000000000 15.999 > 51 53 O 0.17582486743784 0.17104623426306 0.89325458641241 15.999 > 53 54 O 0.17582486743784 0.67104623426306 0.89325458641241 15.999 > 53 55 O 0.17582486743784 0.17104623426306 0.60674541358759 15.999 > 55 56 O 0.17582486743784 0.67104623426306 0.60674541358759 15.999 > 55 57 O 0.17582486743784 0.32895376573694 0.39325458641241 15.999 > 57 58 O 0.17582486743784 0.82895376573694 0.39325458641241 15.999 > 57 59 O 0.17582486743784 0.32895376573694 0.10674541358759 15.999 > 59 60 O 0.17582486743784 0.82895376573694 0.10674541358759 15.999 > 59 61 O 0.00000000000000 0.09289427773593 0.10493153734507 15.999 > 61 62 O 0.00000000000000 0.59289427773593 0.10493153734507 15.999 > 61 63 O 0.00000000000000 0.30758340904448 0.25000000000000 15.999 > 63 64 O 0.00000000000000 0.80758340904448 0.25000000000000 15.999 > 63 65 O 0.00000000000000 0.09289427773593 0.39506846265493 15.999 > 65 66 O 0.00000000000000 0.59289427773593 0.39506846265493 15.999 > 65 67 O 0.00000000000000 0.40710572226407 0.60493153734507 15.999 > 67 68 O 0.00000000000000 0.90710572226407 0.60493153734507 15.999 > 67 69 O 0.00000000000000 0.40710572226407 0.89506846265493 15.999 > 69 70 O 0.00000000000000 0.90710572226407 0.89506846265493 15.999 > 69 71 O 0.00000000000000 0.19241659095552 0.75000000000000 15.999 > 71 72 O 0.00000000000000 0.69241659095552 0.75000000000000 15.999 > 71 73 O 0.32417513256216 0.42104623426306 0.60674541358759 15.999 > 73 74 O 0.32417513256216 0.92104623426306 0.60674541358759 15.999 > 73 75 O 0.32417513256216 0.07895376573694 0.10674541358759 15.999 > 75 76 O 0.32417513256216 0.57895376573694 0.10674541358759 15.999 > 75 77 O 0.32417513256216 0.42104623426306 0.89325458641241 15.999 > 77 78 O 0.32417513256216 0.92104623426306 0.89325458641241 15.999 > 77 79 O 0.32417513256216 0.07895376573694 0.39325458641241 15.999 > 79 80 O 0.32417513256216 0.57895376573694 0.39325458641241 15.999 > 79 81 O 0.10994489869865 0.02774356993088 0.75000000000000 15.999 > 81 82 O 0.10994489869865 0.52774356993088 0.75000000000000 15.999 > 81 83 O 0.10994489869865 0.47225643006912 0.25000000000000 15.999 > 83 84 O 0.10994489869865 0.97225643006912 0.25000000000000 15.999 > 83 85 O 0.89005510130135 0.02774356993088 0.75000000000000 15.999 > 49 86 O 0.89005510130135 0.52774356993088 0.75000000000000 15.999 > 49 87 O 0.89005510130135 0.47225643006912 0.25000000000000 15.999 > 51 88 O 0.89005510130135 0.97225643006912 0.25000000000000 15.999 > 51 89 O 0.67582486743784 0.42104623426306 0.89325458641241 15.999 > 53 90 O 0.67582486743784 0.92104623426306 0.89325458641241 15.999 > 53 91 O 0.67582486743784 0.42104623426306 0.60674541358759 15.999 > 55 92 O 0.67582486743784 0.92104623426306 0.60674541358759 15.999 > 55 93 O 0.67582486743784 0.07895376573694 0.39325458641241 15.999 > 57 94 O 0.67582486743784 0.57895376573694 0.39325458641241 15.999 > 57 95 O 0.67582486743784 0.07895376573694 0.10674541358759 15.999 > 59 96 O 0.67582486743784 0.57895376573694 0.10674541358759 15.999 > 59 97 O 0.50000000000000 0.34289427773593 0.10493153734507 15.999 > 61 98 O 0.50000000000000 0.84289427773593 0.10493153734507 15.999 > 61 99 O 0.50000000000000 0.05758340904448 0.25000000000000 15.999 > 63 100 O 0.50000000000000 0.55758340904448 0.25000000000000 15.999 > 63 101 O 0.50000000000000 0.34289427773593 0.39506846265493 15.999 > 65 102 O 0.50000000000000 0.84289427773593 0.39506846265493 15.999 > 65 103 O 0.50000000000000 0.15710572226407 0.60493153734507 15.999 > 67 104 O 0.50000000000000 0.65710572226407 0.60493153734507 15.999 > 67 105 O 0.50000000000000 0.15710572226407 0.89506846265493 15.999 > 69 106 O 0.50000000000000 0.65710572226407 0.89506846265493 15.999 > 69 107 O 0.50000000000000 0.44241659095552 0.75000000000000 15.999 > 71 108 O 0.50000000000000 0.94241659095552 0.75000000000000 15.999 > 71 109 O 0.82417513256216 0.17104623426306 0.60674541358759 15.999 > 73 110 O 0.82417513256216 0.67104623426306 0.60674541358759 15.999 > 73 111 O 0.82417513256216 0.32895376573694 0.10674541358759 15.999 > 75 112 O 0.82417513256216 0.82895376573694 0.10674541358759 15.999 > 75 113 O 0.82417513256216 0.17104623426306 0.89325458641241 15.999 > 77 114 O 0.82417513256216 0.67104623426306 0.89325458641241 15.999 > 77 115 O 0.82417513256216 0.32895376573694 0.39325458641241 15.999 > 79 116 O 0.82417513256216 0.82895376573694 0.39325458641241 15.999 > 79 117 O 0.60994489869865 0.27774356993088 0.75000000000000 15.999 > 81 118 O 0.60994489869865 0.77774356993088 0.75000000000000 15.999 > 81 119 O 0.60994489869865 0.22225643006912 0.25000000000000 15.999 > 83 120 O 0.60994489869865 0.72225643006912 0.25000000000000 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5438235 0.0000000 0.0000000 0.0000000 3.5502113 0.0000000 0.0000000 0.0000000 3.6207915 -------------------------- Born effective charges -------------------------- 1 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 0.0850799 0.0000000 0.0667233 3.7194077 2 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 -0.0850799 0.0000000 -0.0667233 3.7194077 3 Ho 3.5623713 0.0000000 0.0000000 0.0000000 4.3228679 -0.2730500 0.0000000 -0.1727547 3.7642094 4 Ho 3.5623713 0.0000000 0.0000000 0.0000000 4.3228679 0.2730500 0.0000000 0.1727547 3.7642094 5 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 -0.0850799 0.0000000 -0.0667233 3.7194077 6 Ho 4.0209844 0.0000000 0.0000000 0.0000000 3.7077096 0.0850799 0.0000000 0.0667233 3.7194077 7 B 2.1687543 0.0270620 0.0000000 0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 8 B 2.1687543 -0.0270620 0.0000000 -0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 9 B 2.1600054 0.0000000 0.0000000 0.0000000 2.2031732 0.0000000 0.0000000 0.0000000 2.9655389 10 B 2.1600054 0.0000000 0.0000000 0.0000000 2.2031732 0.0000000 0.0000000 0.0000000 2.9655389 11 B 2.1687543 -0.0270620 0.0000000 -0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 12 B 2.1687543 0.0270620 0.0000000 0.0145170 2.1531447 0.0000000 0.0000000 0.0000000 2.9208764 13 O -1.5613307 0.5038908 0.0000000 0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 14 O -1.5613307 -0.5038908 0.0000000 -0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 15 O -2.2197602 -0.2096929 -0.4859157 -0.2558057 -1.9522294 -0.2851335 -0.5418602 -0.3131752 -2.1841949 16 O -2.2197602 -0.2096929 0.4859157 -0.2558057 -1.9522294 0.2851335 0.5418602 0.3131752 -2.1841949 17 O -2.2197602 0.2096929 -0.4859157 0.2558057 -1.9522294 0.2851335 -0.5418602 0.3131752 -2.1841949 18 O -2.2197602 0.2096929 0.4859157 0.2558057 -1.9522294 -0.2851335 0.5418602 -0.3131752 -2.1841949 19 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 0.5516330 0.0000000 0.6304181 -2.2678006 20 O -2.4971563 0.0000000 0.0000000 0.0000000 -1.3125266 0.0000000 0.0000000 0.0000000 -2.2938297 21 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 -0.5516330 0.0000000 -0.6304181 -2.2678006 22 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 -0.5516330 0.0000000 -0.6304181 -2.2678006 23 O -1.8014978 0.0000000 0.0000000 0.0000000 -2.3858111 0.5516330 0.0000000 0.6304181 -2.2678006 24 O -2.4971563 0.0000000 0.0000000 0.0000000 -1.3125266 0.0000000 0.0000000 0.0000000 -2.2938297 25 O -2.2197602 0.2096929 -0.4859157 0.2558057 -1.9522294 0.2851335 -0.5418602 0.3131752 -2.1841949 26 O -2.2197602 -0.2096929 -0.4859157 -0.2558057 -1.9522294 -0.2851335 -0.5418602 -0.3131752 -2.1841949 27 O -2.2197602 0.2096929 0.4859157 0.2558057 -1.9522294 -0.2851335 0.5418602 -0.3131752 -2.1841949 28 O -2.2197602 -0.2096929 0.4859157 -0.2558057 -1.9522294 0.2851335 0.5418602 0.3131752 -2.1841949 29 O -1.5613307 -0.5038908 0.0000000 -0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 30 O -1.5613307 0.5038908 0.0000000 0.5073318 -2.1773418 0.0000000 0.0000000 0.0000000 -2.2220530 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] 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: 0.61, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.149 ( 0.000 0.000 0.000) 0.000 9.710 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 10.194 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 11.345 ( 0.000 0.000 0.000) 0.000 11.491 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.724 ( 0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 0.000) 0.000 12.081 ( 0.000 0.000 0.000) 0.000 12.166 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 13.218 ( 0.000 0.000 0.000) 0.000 13.384 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.679 ( 0.000 0.000 0.000) 0.000 15.459 ( 0.000 0.000 0.000) 0.000 16.323 ( 0.000 0.000 0.000) 0.000 16.391 ( 0.000 0.000 0.000) 0.000 16.635 ( 0.000 0.000 0.000) 0.000 16.662 ( 0.000 0.000 0.000) 0.000 18.120 ( 0.000 0.000 0.000) 0.000 18.399 ( 0.000 0.000 0.000) 0.000 18.602 ( 0.000 0.000 0.000) 0.000 19.123 ( 0.000 0.000 0.000) 0.000 20.102 ( 0.000 0.000 0.000) 0.000 20.102 ( 0.000 0.000 0.000) 0.000 20.380 ( 0.000 0.000 0.000) 0.000 20.437 ( 0.000 0.000 0.000) 0.000 20.709 ( 0.000 0.000 0.000) 0.000 21.039 ( 0.000 0.000 0.000) 0.000 21.167 ( 0.000 0.000 0.000) 0.000 21.261 ( 0.000 0.000 0.000) 0.000 24.579 ( 0.000 0.000 0.000) 0.000 24.581 ( 0.000 0.000 0.000) 0.000 24.981 ( 0.000 0.000 0.000) 0.000 25.256 ( 0.000 0.000 0.000) 0.000 25.519 ( 0.000 0.000 0.000) 0.000 25.555 ( 0.000 0.000 0.000) 0.000 27.156 ( 0.000 0.000 0.000) 0.000 27.265 ( 0.000 0.000 0.000) 0.000 27.357 ( 0.000 0.000 0.000) 0.000 27.437 ( 0.000 0.000 0.000) 0.000 29.221 ( 0.000 0.000 0.000) 0.000 29.502 ( 0.000 0.000 0.000) 0.000 29.874 ( 0.000 0.000 0.000) 0.000 29.894 ( 0.000 0.000 0.000) 0.000 30.219 ( 0.000 0.000 0.000) 0.000 30.396 ( 0.000 0.000 0.000) 0.000 30.792 ( 0.000 0.000 0.000) 0.000 30.907 ( 0.000 0.000 0.000) 0.000 31.237 ( 0.000 0.000 0.000) 0.000 31.676 ( 0.000 0.000 0.000) 0.000 31.783 ( 0.000 0.000 0.000) 0.000 36.019 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 19.968 -27.968 0.000) 34.365 0.833 ( 20.918 -35.149 0.000) 40.903 1.241 ( 27.222 -54.746 0.000) 61.140 2.550 ( 3.545 1.821 0.000) 3.985 2.744 ( -0.764 -7.121 0.000) 7.162 3.114 ( 0.009 -2.086 0.000) 2.086 3.189 ( 1.976 -2.934 0.000) 3.538 3.773 ( -2.810 13.392 0.000) 13.683 3.775 ( 0.974 16.698 0.000) 16.726 3.972 ( 0.788 -1.234 0.000) 1.464 3.979 ( -0.331 -0.981 0.000) 1.035 4.171 ( -9.212 -5.600 0.000) 10.780 4.319 ( -9.169 5.048 0.000) 10.467 4.360 ( 6.698 3.666 0.000) 7.636 4.463 ( 6.962 0.340 0.000) 6.970 4.579 ( 0.639 -3.193 0.000) 3.256 4.840 ( 0.483 -8.223 0.000) 8.238 5.784 ( -4.721 6.871 0.000) 8.336 6.139 ( -5.762 5.619 0.000) 8.048 6.247 ( -0.057 -4.243 0.000) 4.243 6.486 ( 2.861 9.163 0.000) 9.600 6.808 ( 0.990 -9.709 0.000) 9.759 6.940 ( -5.885 -4.500 0.000) 7.409 7.251 ( 8.419 2.525 0.000) 8.790 7.561 ( 0.296 1.321 0.000) 1.354 7.694 ( -2.669 1.020 0.000) 2.857 7.836 ( 0.166 5.434 0.000) 5.436 8.009 ( -4.348 0.809 0.000) 4.423 8.103 ( -4.611 1.956 0.000) 5.009 8.543 ( 8.187 -5.147 0.000) 9.671 8.986 ( 0.243 2.988 0.000) 2.998 9.155 ( 1.834 11.206 0.000) 11.355 9.188 ( -0.972 -4.574 0.000) 4.676 9.667 ( 0.126 3.861 0.000) 3.863 9.918 ( 1.452 -1.849 0.000) 2.351 10.412 ( -7.000 -7.718 0.000) 10.419 10.611 ( 7.759 -6.769 0.000) 10.297 11.260 ( -8.969 17.289 0.000) 19.477 11.537 ( -15.794 -5.805 0.000) 16.827 11.644 ( -1.355 7.774 0.000) 7.891 11.747 ( -2.426 2.683 0.000) 3.617 11.886 ( 5.013 10.903 0.000) 12.000 11.983 ( -7.357 14.428 0.000) 16.195 12.098 ( 2.846 3.356 0.000) 4.400 12.289 ( -1.181 3.190 0.000) 3.402 12.711 ( -1.778 -5.137 0.000) 5.436 13.291 ( -5.174 -10.146 0.000) 11.389 13.451 ( 11.440 1.773 0.000) 11.577 14.025 ( -0.397 -19.391 0.000) 19.395 14.453 ( 8.801 5.172 0.000) 10.209 14.785 ( 1.085 -10.321 0.000) 10.378 15.442 ( 2.015 2.591 0.000) 3.282 16.368 ( -0.100 -1.759 0.000) 1.762 16.438 ( -2.032 -5.398 0.000) 5.768 16.627 ( 4.043 2.255 0.000) 4.629 16.733 ( 3.126 -2.826 0.000) 4.214 18.151 ( 1.106 -2.856 0.000) 3.063 18.419 ( 1.516 -1.325 0.000) 2.013 18.667 ( 0.734 -6.779 0.000) 6.819 19.134 ( 0.099 -1.270 0.000) 1.274 20.061 ( -1.514 3.240 0.000) 3.576 20.075 ( -1.613 2.523 0.000) 2.995 20.179 ( -8.480 14.456 0.000) 16.760 20.338 ( -1.511 7.901 0.000) 8.044 20.841 ( 1.691 -8.308 0.000) 8.478 21.014 ( -2.628 1.501 0.000) 3.026 21.213 ( -1.391 4.521 0.000) 4.730 21.221 ( 4.370 -3.369 0.000) 5.518 24.567 ( 0.131 0.743 0.000) 0.754 24.593 ( 0.033 -0.577 0.000) 0.578 25.256 ( -2.555 -1.448 0.000) 2.936 25.407 ( -13.873 -9.660 0.000) 16.905 25.591 ( 0.360 -7.569 0.000) 7.578 26.466 ( 8.239 6.840 0.000) 10.708 27.244 ( -0.316 2.409 0.000) 2.429 27.303 ( -6.352 -1.430 0.000) 6.511 27.427 ( -5.674 -7.992 0.000) 9.801 28.837 ( 15.631 14.270 0.000) 21.165 29.501 ( -1.788 -0.949 0.000) 2.024 29.761 ( -2.696 7.633 0.000) 8.095 29.938 ( 0.522 -4.698 0.000) 4.727 30.119 ( -13.476 -5.344 0.000) 14.497 30.452 ( 3.619 -3.664 0.000) 5.150 30.703 ( 13.032 8.059 0.000) 15.322 30.898 ( 2.785 2.767 0.000) 3.926 30.982 ( 5.091 -10.424 0.000) 11.601 31.256 ( -1.000 -2.751 0.000) 2.927 31.598 ( 0.929 5.909 0.000) 5.982 31.911 ( 1.680 -10.428 0.000) 10.563 35.812 ( -9.865 17.682 0.000) 20.248 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 17.040 -26.042 0.000) 31.121 1.598 ( 18.837 -30.516 0.000) 35.862 2.378 ( 23.927 -46.573 0.000) 52.360 2.553 ( 4.557 2.461 0.000) 5.179 2.888 ( -1.886 -10.490 0.000) 10.659 3.150 ( -0.691 -1.977 0.000) 2.095 3.284 ( 3.543 -4.309 0.000) 5.578 3.454 ( -3.804 18.088 0.000) 18.484 3.522 ( -3.166 11.973 0.000) 12.385 3.946 ( -5.420 4.430 0.000) 7.000 4.007 ( 0.825 -1.625 0.000) 1.823 4.061 ( -6.554 4.839 0.000) 8.147 4.145 ( -0.426 2.914 0.000) 2.945 4.414 ( 1.047 -0.848 0.000) 1.348 4.575 ( 5.031 -3.341 0.000) 6.039 4.625 ( 1.311 -1.620 0.000) 2.084 4.915 ( -0.220 0.187 0.000) 0.289 5.575 ( -9.191 8.365 0.000) 12.427 6.024 ( -3.103 1.329 0.000) 3.376 6.346 ( -0.173 -7.006 0.000) 7.008 6.350 ( 6.132 11.258 0.000) 12.820 6.972 ( -4.772 -5.286 0.000) 7.122 6.978 ( 0.949 -8.627 0.000) 8.679 7.273 ( 5.052 2.818 0.000) 5.785 7.547 ( 3.021 2.675 0.000) 4.035 7.640 ( -3.804 1.108 0.000) 3.962 7.731 ( 1.405 6.874 0.000) 7.016 7.928 ( -6.977 1.483 0.000) 7.133 8.054 ( 0.379 0.555 0.000) 0.672 8.745 ( 7.221 -8.807 0.000) 11.389 8.924 ( -6.731 12.148 0.000) 13.888 8.926 ( 1.061 4.055 0.000) 4.191 9.255 ( -3.245 -4.342 0.000) 5.421 9.613 ( 2.255 3.031 0.000) 3.778 9.935 ( 3.471 3.464 0.000) 4.904 10.511 ( -2.466 -8.204 0.000) 8.566 10.822 ( 8.522 -7.751 0.000) 11.519 10.878 ( -11.630 11.883 0.000) 16.628 11.434 ( -6.199 6.138 0.000) 8.724 11.458 ( -4.167 10.093 0.000) 10.920 11.548 ( -8.551 20.395 0.000) 22.116 11.630 ( -3.781 6.875 0.000) 7.846 11.769 ( -5.516 4.041 0.000) 6.838 12.079 ( 1.404 1.927 0.000) 2.384 12.234 ( -0.521 3.204 0.000) 3.246 12.749 ( -2.289 -2.108 0.000) 3.112 13.413 ( -5.463 -9.394 0.000) 10.867 13.556 ( 10.131 -0.772 0.000) 10.160 14.319 ( 0.079 -10.745 0.000) 10.745 14.499 ( 6.556 -3.006 0.000) 7.212 15.002 ( 4.985 -9.738 0.000) 10.940 15.451 ( 3.924 -1.797 0.000) 4.315 16.409 ( -0.819 -2.978 0.000) 3.088 16.511 ( -0.921 -4.113 0.000) 4.215 16.656 ( 5.334 -0.694 0.000) 5.379 16.823 ( 2.982 -3.793 0.000) 4.825 18.232 ( 1.701 -4.548 0.000) 4.856 18.466 ( 2.211 -1.556 0.000) 2.704 18.825 ( 1.536 -9.427 0.000) 9.551 19.171 ( 0.506 -2.708 0.000) 2.754 19.819 ( -6.984 17.222 0.000) 18.585 19.969 ( -2.261 5.001 0.000) 5.488 19.996 ( -2.493 3.737 0.000) 4.492 20.147 ( -7.686 8.546 0.000) 11.494 20.963 ( 3.718 -2.816 0.000) 4.664 20.967 ( -2.309 1.000 0.000) 2.516 21.097 ( -2.388 5.677 0.000) 6.159 21.345 ( 3.939 -5.472 0.000) 6.742 24.559 ( 0.119 0.274 0.000) 0.299 24.600 ( 0.078 -0.157 0.000) 0.175 25.255 ( -0.762 -0.289 0.000) 0.815 25.452 ( -3.218 -5.500 0.000) 6.372 25.755 ( 4.305 -7.893 0.000) 8.991 26.417 ( 1.897 4.512 0.000) 4.895 27.167 ( -0.444 6.231 0.000) 6.247 27.275 ( -3.285 -0.813 0.000) 3.384 27.518 ( -3.476 -8.064 0.000) 8.781 28.680 ( 1.183 13.974 0.000) 14.024 29.507 ( -2.126 -2.303 0.000) 3.134 29.640 ( -0.484 3.975 0.000) 4.005 30.060 ( 0.763 -8.539 0.000) 8.573 30.082 ( -7.434 -3.345 0.000) 8.152 30.524 ( 8.087 1.931 0.000) 8.314 30.738 ( 4.975 -0.185 0.000) 4.978 30.859 ( 3.915 5.939 0.000) 7.113 31.217 ( 3.913 -11.000 0.000) 11.675 31.305 ( -2.597 -4.733 0.000) 5.399 31.522 ( 2.828 5.090 0.000) 5.823 32.156 ( 4.280 -14.949 0.000) 15.550 35.259 ( -16.552 29.852 0.000) 34.134 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 12.836 -22.386 0.000) 25.805 2.234 ( 14.921 -23.521 0.000) 27.854 2.556 ( 3.597 1.832 0.000) 4.037 3.044 ( -2.659 -9.658 0.000) 10.017 3.101 ( -4.924 11.561 0.000) 12.566 3.142 ( -2.926 2.150 0.000) 3.631 3.182 ( 10.044 -12.812 0.000) 16.280 3.322 ( -1.233 7.560 0.000) 7.660 3.381 ( 2.575 -2.479 0.000) 3.574 3.866 ( 2.245 -8.122 0.000) 8.427 3.949 ( -1.222 2.502 0.000) 2.784 4.041 ( 0.558 -1.654 0.000) 1.746 4.191 ( 2.822 -3.881 0.000) 4.798 4.359 ( -4.237 4.794 0.000) 6.398 4.656 ( 3.797 -0.804 0.000) 3.881 4.673 ( 1.602 -1.903 0.000) 2.487 4.847 ( 0.767 6.757 0.000) 6.800 5.336 ( -13.123 6.487 0.000) 14.639 6.034 ( -1.807 -4.315 0.000) 4.678 6.237 ( 7.817 9.784 0.000) 12.523 6.465 ( -0.518 -6.710 0.000) 6.730 7.019 ( -1.952 -3.761 0.000) 4.237 7.121 ( 1.213 -6.855 0.000) 6.961 7.273 ( 2.816 1.022 0.000) 2.996 7.500 ( 0.007 4.921 0.000) 4.921 7.594 ( -3.384 -0.291 0.000) 3.397 7.652 ( 2.764 4.488 0.000) 5.271 7.846 ( -4.061 1.097 0.000) 4.206 8.088 ( 3.173 -1.349 0.000) 3.448 8.630 ( -7.674 12.765 0.000) 14.895 8.884 ( 2.873 1.462 0.000) 3.224 8.962 ( 3.810 -7.716 0.000) 8.605 9.241 ( -5.270 0.664 0.000) 5.311 9.619 ( 4.826 0.805 0.000) 4.893 9.880 ( 3.268 5.383 0.000) 6.297 10.618 ( -2.973 -6.961 0.000) 7.569 10.673 ( -9.350 0.526 0.000) 9.365 11.033 ( 6.505 -7.538 0.000) 9.957 11.087 ( -1.662 20.987 0.000) 21.053 11.239 ( -5.144 9.079 0.000) 10.435 11.309 ( -6.560 4.370 0.000) 7.882 11.461 ( -3.491 7.649 0.000) 8.408 11.648 ( -6.901 3.418 0.000) 7.701 12.060 ( 0.681 1.417 0.000) 1.572 12.168 ( -1.226 3.189 0.000) 3.416 12.751 ( -1.723 -0.737 0.000) 1.874 13.497 ( -2.777 -5.239 0.000) 5.930 13.654 ( 5.280 -1.372 0.000) 5.456 14.401 ( 3.487 0.281 0.000) 3.498 14.627 ( 1.259 -4.383 0.000) 4.560 15.180 ( 3.551 -6.346 0.000) 7.272 15.595 ( 4.423 -8.335 0.000) 9.436 16.446 ( -1.445 -2.609 0.000) 2.983 16.540 ( 0.006 0.017 0.000) 0.018 16.759 ( 4.842 -4.435 0.000) 6.566 16.909 ( 2.335 -2.800 0.000) 3.645 18.328 ( 1.452 -4.494 0.000) 4.722 18.505 ( 1.781 -0.484 0.000) 1.845 18.983 ( 2.614 -5.195 0.000) 5.816 19.228 ( -0.516 -2.910 0.000) 2.955 19.510 ( -3.809 9.692 0.000) 10.414 19.861 ( -1.956 4.657 0.000) 5.051 19.910 ( -8.779 9.120 0.000) 12.659 19.914 ( -2.125 2.901 0.000) 3.597 20.892 ( -1.452 5.715 0.000) 5.897 21.020 ( 3.529 0.028 0.000) 3.529 21.041 ( -1.790 -1.975 0.000) 2.666 21.465 ( 2.299 -4.495 0.000) 5.048 24.561 ( 0.116 -0.362 0.000) 0.380 24.599 ( 0.065 0.359 0.000) 0.365 25.250 ( 0.333 0.580 0.000) 0.669 25.525 ( -0.332 -4.582 0.000) 4.594 25.918 ( 5.515 -4.668 0.000) 7.226 26.364 ( -1.131 1.586 0.000) 1.948 27.035 ( -0.571 7.692 0.000) 7.713 27.263 ( -2.007 -0.689 0.000) 2.122 27.641 ( -2.101 -9.750 0.000) 9.973 28.400 ( -4.381 15.702 0.000) 16.302 29.537 ( -1.207 -2.820 0.000) 3.067 29.608 ( 0.960 0.766 0.000) 1.228 30.090 ( -3.479 -3.516 0.000) 4.946 30.236 ( 0.449 -10.930 0.000) 10.939 30.564 ( 7.917 2.412 0.000) 8.276 30.766 ( 3.198 8.971 0.000) 9.524 30.770 ( 0.501 -0.148 0.000) 0.522 31.357 ( -4.304 -5.027 0.000) 6.618 31.415 ( 2.655 -7.845 0.000) 8.282 31.481 ( 4.803 4.087 0.000) 6.307 32.519 ( 8.191 -20.335 0.000) 21.923 34.521 ( -18.610 34.057 0.000) 38.810 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 6.287 -13.221 0.000) 14.640 2.550 ( 1.292 0.226 0.000) 1.312 2.704 ( 10.092 -15.376 0.000) 18.392 2.849 ( -2.157 8.910 0.000) 9.168 2.994 ( -5.933 9.365 0.000) 11.086 3.139 ( -1.854 -3.367 0.000) 3.843 3.193 ( -3.143 4.917 0.000) 5.836 3.262 ( 0.584 0.230 0.000) 0.627 3.405 ( 0.275 0.682 0.000) 0.735 3.970 ( 3.013 -2.694 0.000) 4.042 4.046 ( 0.566 -0.666 0.000) 0.874 4.209 ( -4.616 5.575 0.000) 7.238 4.236 ( 2.501 -8.026 0.000) 8.407 4.344 ( 9.518 -14.119 0.000) 17.027 4.642 ( -3.009 5.400 0.000) 6.182 4.708 ( 0.552 -0.749 0.000) 0.930 4.765 ( 5.045 3.608 0.000) 6.203 5.104 ( -10.820 4.875 0.000) 11.867 6.098 ( -4.039 -5.813 0.000) 7.079 6.165 ( 6.720 7.207 0.000) 9.854 6.547 ( -0.383 -2.880 0.000) 2.905 7.052 ( -0.499 -1.302 0.000) 1.394 7.228 ( 1.422 -3.216 0.000) 3.516 7.308 ( 3.370 -1.676 0.000) 3.764 7.397 ( -2.873 4.560 0.000) 5.389 7.581 ( -1.545 -0.628 0.000) 1.668 7.632 ( 1.541 0.742 0.000) 1.710 7.816 ( -1.031 -0.123 0.000) 1.039 8.128 ( 1.426 -0.264 0.000) 1.451 8.386 ( -3.733 6.888 0.000) 7.834 8.912 ( 2.824 -0.495 0.000) 2.867 9.078 ( 3.054 -2.540 0.000) 3.973 9.161 ( -5.851 1.699 0.000) 6.093 9.667 ( 3.205 -1.157 0.000) 3.407 9.840 ( 0.995 2.069 0.000) 2.296 10.625 ( -3.420 -1.132 0.000) 3.603 10.687 ( -6.215 -6.802 0.000) 9.213 10.796 ( 3.720 12.530 0.000) 13.071 11.081 ( -2.608 3.751 0.000) 4.569 11.171 ( 0.630 0.235 0.000) 0.672 11.255 ( 2.348 -3.920 0.000) 4.569 11.332 ( -1.421 3.573 0.000) 3.846 11.515 ( -5.205 4.113 0.000) 6.634 12.047 ( 0.230 0.543 0.000) 0.590 12.116 ( -0.687 1.317 0.000) 1.486 12.746 ( -0.665 -0.158 0.000) 0.683 13.538 ( -0.825 -1.659 0.000) 1.853 13.704 ( 1.524 -0.507 0.000) 1.606 14.417 ( 1.366 0.458 0.000) 1.441 14.669 ( 0.583 -0.333 0.000) 0.672 15.290 ( 1.263 -3.032 0.000) 3.285 15.745 ( 1.692 -4.124 0.000) 4.457 16.472 ( -0.768 -1.567 0.000) 1.745 16.528 ( 0.234 1.041 0.000) 1.067 16.860 ( 2.012 -2.346 0.000) 3.090 16.958 ( 0.847 -1.005 0.000) 1.314 18.400 ( 0.537 -2.238 0.000) 2.302 18.516 ( 0.662 0.403 0.000) 0.775 19.017 ( 1.198 2.213 0.000) 2.517 19.237 ( -2.309 -1.496 0.000) 2.751 19.491 ( 4.576 -4.723 0.000) 6.577 19.675 ( -7.563 8.322 0.000) 11.245 19.788 ( -0.755 1.876 0.000) 2.022 19.864 ( -0.821 1.063 0.000) 1.343 20.800 ( -0.652 2.800 0.000) 2.875 21.040 ( 1.409 0.309 0.000) 1.442 21.072 ( -0.460 -1.763 0.000) 1.822 21.535 ( 0.752 -1.671 0.000) 1.832 24.572 ( 0.083 -0.705 0.000) 0.710 24.589 ( -0.007 0.676 0.000) 0.676 25.244 ( 0.269 0.346 0.000) 0.438 25.584 ( 0.237 -1.869 0.000) 1.884 26.007 ( 2.643 -0.941 0.000) 2.806 26.347 ( -1.041 -0.535 0.000) 1.170 26.926 ( -0.199 3.606 0.000) 3.612 27.257 ( -0.759 -0.255 0.000) 0.801 27.817 ( 0.312 -11.579 0.000) 11.583 28.093 ( -3.549 14.166 0.000) 14.604 29.568 ( -0.392 -1.394 0.000) 1.448 29.611 ( 0.585 0.126 0.000) 0.598 30.116 ( -1.035 -1.597 0.000) 1.903 30.432 ( -0.469 -11.700 0.000) 11.709 30.596 ( 3.759 0.851 0.000) 3.854 30.618 ( 1.789 10.990 0.000) 11.135 30.762 ( -0.834 0.279 0.000) 0.880 31.385 ( -2.509 -2.163 0.000) 3.312 31.472 ( 2.775 1.626 0.000) 3.216 31.526 ( 0.948 -2.789 0.000) 2.946 33.004 ( 11.024 -22.974 0.000) 25.482 33.790 ( -15.038 28.420 0.000) 32.153 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 33.927 0.000 0.000) 33.927 0.832 ( 40.327 0.000 0.000) 40.327 1.216 ( 59.893 0.000 0.000) 59.893 2.625 ( 7.148 0.000 0.000) 7.148 2.670 ( -1.060 -0.000 0.000) 1.060 3.101 ( 0.969 0.000 0.000) 0.969 3.182 ( 2.332 0.000 0.000) 2.332 3.922 ( -4.895 -0.000 0.000) 4.895 3.933 ( -7.873 -0.000 0.000) 7.873 3.940 ( -6.958 -0.000 0.000) 6.958 3.971 ( 0.356 0.000 0.000) 0.356 3.983 ( -10.214 -0.000 0.000) 10.214 4.211 ( -5.766 -0.000 0.000) 5.766 4.471 ( 4.309 0.000 0.000) 4.309 4.542 ( 1.338 0.000 0.000) 1.338 4.572 ( 5.539 0.000 0.000) 5.539 4.715 ( 2.194 0.000 0.000) 2.194 5.779 ( -8.895 -0.000 0.000) 8.895 6.096 ( -9.309 -0.000 0.000) 9.309 6.204 ( -0.966 -0.000 0.000) 0.966 6.675 ( 3.656 0.000 0.000) 3.656 6.675 ( 7.266 0.000 0.000) 7.266 6.849 ( -4.108 -0.000 0.000) 4.108 7.373 ( 9.232 0.000 0.000) 9.232 7.558 ( -1.688 -0.000 0.000) 1.688 7.664 ( -5.194 -0.000 0.000) 5.194 7.874 ( -1.335 -0.000 0.000) 1.335 7.967 ( -6.539 -0.000 0.000) 6.539 8.057 ( -3.797 -0.000 0.000) 3.797 8.616 ( 12.398 0.000 0.000) 12.398 9.010 ( -0.740 -0.000 0.000) 0.740 9.135 ( -1.282 -0.000 0.000) 1.282 9.431 ( -7.333 -0.000 0.000) 7.333 9.705 ( -0.474 -0.000 0.000) 0.474 9.906 ( 2.096 0.000 0.000) 2.096 10.246 ( 5.016 0.000 0.000) 5.016 10.533 ( 4.421 0.000 0.000) 4.421 11.305 ( -14.507 -0.000 0.000) 14.507 11.360 ( 1.558 0.000 0.000) 1.558 11.691 ( -8.129 -0.000 0.000) 8.129 11.735 ( -0.800 -0.000 0.000) 0.800 11.944 ( -11.992 -0.000 0.000) 11.992 11.962 ( -16.848 -0.000 0.000) 16.848 12.154 ( -1.659 -0.000 0.000) 1.659 12.290 ( -1.942 -0.000 0.000) 1.942 12.633 ( 0.196 0.000 0.000) 0.196 13.212 ( -0.122 -0.000 0.000) 0.122 13.641 ( 13.770 0.000 0.000) 13.770 13.844 ( 1.648 0.000 0.000) 1.648 14.627 ( -5.060 -0.000 0.000) 5.060 14.703 ( 22.014 0.000 0.000) 22.014 15.499 ( 3.882 0.000 0.000) 3.882 16.348 ( 2.434 0.000 0.000) 2.434 16.389 ( -0.161 -0.000 0.000) 0.161 16.686 ( 4.681 0.000 0.000) 4.681 16.774 ( 3.316 0.000 0.000) 3.316 18.143 ( 2.189 0.000 0.000) 2.189 18.431 ( 2.979 0.000 0.000) 2.979 18.617 ( 1.589 0.000 0.000) 1.589 19.122 ( -0.193 -0.000 0.000) 0.193 20.067 ( -3.480 -0.000 0.000) 3.480 20.070 ( -3.121 -0.000 0.000) 3.121 20.147 ( -15.342 -0.000 0.000) 15.342 20.488 ( -1.423 -0.000 0.000) 1.423 20.708 ( -0.106 -0.000 0.000) 0.106 20.985 ( -4.784 -0.000 0.000) 4.784 21.233 ( -2.664 -0.000 0.000) 2.664 21.272 ( 9.224 0.000 0.000) 9.224 24.578 ( -0.061 -0.000 0.000) 0.061 24.585 ( 0.106 0.000 0.000) 0.106 24.991 ( 1.120 0.000 0.000) 1.120 25.287 ( 2.987 0.000 0.000) 2.987 25.529 ( 0.567 0.000 0.000) 0.567 26.630 ( -0.914 -0.000 0.000) 0.914 27.142 ( -1.524 -0.000 0.000) 1.524 27.272 ( 0.783 0.000 0.000) 0.783 27.357 ( -0.068 -0.000 0.000) 0.068 29.230 ( 0.826 0.000 0.000) 0.826 29.514 ( 1.371 0.000 0.000) 1.371 29.635 ( -16.772 -0.000 0.000) 16.772 29.905 ( 1.063 0.000 0.000) 1.063 30.020 ( 3.750 0.000 0.000) 3.750 30.441 ( 4.259 0.000 0.000) 4.259 30.868 ( 5.173 0.000 0.000) 5.173 30.966 ( 5.800 0.000 0.000) 5.800 31.018 ( 5.095 0.000 0.000) 5.095 31.220 ( -1.598 -0.000 0.000) 1.598 31.682 ( 0.552 0.000 0.000) 0.552 31.822 ( 4.013 0.000 0.000) 4.013 35.817 ( -19.732 -0.000 0.000) 19.732 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 27.396 -17.077 0.000) 32.283 1.402 ( 31.625 -19.570 0.000) 37.191 2.050 ( 46.761 -28.234 0.000) 54.623 2.661 ( 5.963 2.713 0.000) 6.551 2.726 ( -0.081 -5.716 0.000) 5.717 3.126 ( 1.159 -1.186 0.000) 1.658 3.242 ( 2.680 -3.813 0.000) 4.661 3.672 ( -9.515 14.023 0.000) 16.946 3.678 ( -6.154 11.171 0.000) 12.754 3.913 ( -8.284 -0.119 0.000) 8.285 3.976 ( -9.541 -4.116 0.000) 10.391 3.997 ( 0.959 -1.618 0.000) 1.881 4.162 ( -3.341 1.333 0.000) 3.597 4.473 ( 4.480 2.840 0.000) 5.304 4.588 ( -0.320 -2.656 0.000) 2.676 4.594 ( 5.381 -0.112 0.000) 5.383 4.857 ( 0.945 -7.844 0.000) 7.901 5.618 ( -11.228 6.785 0.000) 13.119 5.978 ( -8.923 1.449 0.000) 9.040 6.229 ( -2.128 -4.677 0.000) 5.139 6.596 ( 7.165 9.120 0.000) 11.598 6.853 ( 3.192 -7.501 0.000) 8.152 6.860 ( -0.824 -3.839 0.000) 3.927 7.378 ( 1.873 4.633 0.000) 4.997 7.574 ( -0.463 -1.882 0.000) 1.938 7.599 ( -6.721 0.327 0.000) 6.729 7.831 ( -0.844 3.335 0.000) 3.440 7.873 ( -8.012 1.703 0.000) 8.191 8.074 ( 5.381 -0.755 0.000) 5.434 8.752 ( 11.055 -1.941 0.000) 11.224 8.972 ( -3.021 1.738 0.000) 3.485 9.110 ( -6.821 18.001 0.000) 19.250 9.164 ( -0.103 -3.676 0.000) 3.677 9.666 ( -0.438 2.771 0.000) 2.805 9.971 ( 3.558 -3.250 0.000) 4.819 10.391 ( 3.229 -6.264 0.000) 7.047 10.722 ( 5.051 -11.641 0.000) 12.689 11.010 ( -13.285 15.424 0.000) 20.356 11.401 ( -1.217 -1.070 0.000) 1.620 11.536 ( -9.815 6.267 0.000) 11.645 11.682 ( -3.660 3.799 0.000) 5.276 11.730 ( -16.787 6.913 0.000) 18.154 11.758 ( -12.237 6.067 0.000) 13.659 12.107 ( -1.511 2.164 0.000) 2.640 12.250 ( -4.008 1.176 0.000) 4.177 12.683 ( -0.634 -4.097 0.000) 4.146 13.218 ( -1.982 -2.591 0.000) 3.262 13.740 ( 15.457 3.720 0.000) 15.899 14.029 ( 0.860 -16.935 0.000) 16.956 14.546 ( -3.589 1.902 0.000) 4.062 14.999 ( 22.123 -5.034 0.000) 22.688 15.517 ( 5.333 2.618 0.000) 5.941 16.378 ( 0.571 -0.650 0.000) 0.865 16.432 ( 1.706 -4.523 0.000) 4.834 16.728 ( 5.620 1.631 0.000) 5.851 16.814 ( 5.002 -1.327 0.000) 5.175 18.191 ( 2.656 -2.569 0.000) 3.695 18.473 ( 3.557 -0.856 0.000) 3.658 18.699 ( 2.533 -6.747 0.000) 7.206 19.133 ( -0.373 -1.703 0.000) 1.743 19.934 ( -14.039 7.255 0.000) 15.803 20.003 ( -4.216 2.530 0.000) 4.917 20.013 ( -4.381 2.239 0.000) 4.920 20.273 ( -5.111 13.962 0.000) 14.868 20.855 ( -0.700 -10.547 0.000) 10.570 20.937 ( -4.296 -0.285 0.000) 4.305 21.163 ( -3.416 4.347 0.000) 5.529 21.371 ( 9.496 -0.335 0.000) 9.502 24.569 ( 0.017 0.675 0.000) 0.675 24.594 ( 0.120 -0.560 0.000) 0.573 25.174 ( -1.995 -12.642 0.000) 12.798 25.320 ( 1.231 -1.093 0.000) 1.646 25.610 ( 0.332 -8.894 0.000) 8.900 26.549 ( 0.905 6.779 0.000) 6.839 27.176 ( -4.506 -4.608 0.000) 6.445 27.256 ( 0.861 3.184 0.000) 3.298 27.383 ( -1.087 -3.574 0.000) 3.735 29.003 ( 0.976 19.934 0.000) 19.957 29.443 ( -4.871 -1.437 0.000) 5.078 29.639 ( -5.300 -3.473 0.000) 6.336 29.957 ( 1.363 -4.534 0.000) 4.734 30.014 ( 0.689 1.959 0.000) 2.077 30.554 ( 5.842 -5.120 0.000) 7.768 30.858 ( 4.085 5.291 0.000) 6.684 30.999 ( 6.971 3.985 0.000) 8.030 31.125 ( 8.426 -5.466 0.000) 10.044 31.221 ( -2.420 -2.209 0.000) 3.276 31.636 ( 2.920 4.443 0.000) 5.317 31.978 ( 5.184 -10.485 0.000) 11.697 35.444 ( -26.294 15.786 0.000) 30.669 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 20.440 -17.347 0.000) 26.809 2.032 ( 22.799 -20.927 0.000) 30.947 2.652 ( 4.533 4.274 0.000) 6.230 2.848 ( -1.836 -9.320 0.000) 9.499 2.917 ( 22.657 -24.607 0.000) 33.449 3.146 ( 0.057 0.214 0.000) 0.222 3.342 ( 1.724 -4.332 0.000) 4.662 3.344 ( -4.168 13.554 0.000) 14.181 3.446 ( -4.062 9.405 0.000) 10.245 3.803 ( -5.077 0.108 0.000) 5.078 3.935 ( -4.842 -1.063 0.000) 4.957 4.036 ( 1.691 -1.089 0.000) 2.011 4.161 ( 1.855 -2.062 0.000) 2.774 4.437 ( 1.065 5.629 0.000) 5.729 4.626 ( -1.576 -3.154 0.000) 3.526 4.662 ( 3.067 -1.771 0.000) 3.542 4.942 ( 2.232 -0.087 0.000) 2.234 5.351 ( -11.988 9.755 0.000) 15.455 5.919 ( -6.876 -3.800 0.000) 7.856 6.313 ( -3.352 -7.766 0.000) 8.458 6.501 ( 8.552 10.768 0.000) 13.751 6.945 ( 1.964 -4.692 0.000) 5.086 7.009 ( 2.275 -7.833 0.000) 8.157 7.322 ( 0.616 2.284 0.000) 2.365 7.531 ( -7.035 -0.659 0.000) 7.066 7.554 ( -3.353 2.239 0.000) 4.031 7.760 ( 1.240 4.694 0.000) 4.855 7.774 ( -8.042 0.026 0.000) 8.042 8.162 ( 10.606 0.958 0.000) 10.649 8.751 ( -11.031 13.608 0.000) 17.517 8.884 ( 2.725 -2.538 0.000) 3.724 8.937 ( 2.678 -1.791 0.000) 3.222 9.217 ( 0.767 -0.629 0.000) 0.992 9.638 ( 0.045 -0.436 0.000) 0.438 10.040 ( 6.813 3.009 0.000) 7.448 10.507 ( 1.103 -4.406 0.000) 4.542 10.638 ( -10.888 10.090 0.000) 14.844 10.958 ( 6.039 -8.949 0.000) 10.796 11.308 ( -10.680 7.788 0.000) 13.218 11.334 ( -5.107 6.046 0.000) 7.914 11.381 ( -7.492 14.176 0.000) 16.034 11.550 ( -3.927 6.565 0.000) 7.650 11.613 ( -7.718 0.962 0.000) 7.778 12.057 ( -3.499 0.820 0.000) 3.594 12.177 ( -5.063 1.728 0.000) 5.350 12.732 ( 0.294 -1.780 0.000) 1.804 13.260 ( -7.221 -7.068 0.000) 10.105 13.822 ( 13.550 3.819 0.000) 14.078 14.329 ( 0.649 -13.603 0.000) 13.618 14.504 ( -5.623 -3.442 0.000) 6.593 15.246 ( 17.532 0.599 0.000) 17.543 15.559 ( 6.992 -1.860 0.000) 7.235 16.402 ( 0.110 -1.779 0.000) 1.782 16.532 ( 2.791 -3.277 0.000) 4.305 16.759 ( 4.610 -0.095 0.000) 4.611 16.899 ( 4.498 -2.239 0.000) 5.025 18.273 ( 2.207 -3.834 0.000) 4.424 18.519 ( 2.848 -0.488 0.000) 2.890 18.877 ( 3.681 -9.600 0.000) 10.282 19.172 ( -0.582 -3.053 0.000) 3.108 19.647 ( -8.993 11.461 0.000) 14.568 19.906 ( -3.927 3.834 0.000) 5.488 19.923 ( -4.608 2.341 0.000) 5.169 19.985 ( -8.481 11.165 0.000) 14.021 20.926 ( -1.372 -1.200 0.000) 1.822 20.990 ( -0.962 -5.833 0.000) 5.912 21.037 ( -3.378 5.134 0.000) 6.146 21.466 ( 7.416 -0.832 0.000) 7.463 24.561 ( 0.031 0.226 0.000) 0.228 24.602 ( 0.130 -0.133 0.000) 0.186 25.281 ( 3.128 0.618 0.000) 3.189 25.391 ( -2.247 -7.932 0.000) 8.245 25.808 ( 0.153 -12.639 0.000) 12.640 26.435 ( 0.130 6.917 0.000) 6.918 27.175 ( 0.967 7.158 0.000) 7.223 27.200 ( -3.680 -3.127 0.000) 4.829 27.458 ( -2.535 -7.469 0.000) 7.887 28.648 ( -4.440 18.513 0.000) 19.038 29.462 ( -2.148 -4.061 0.000) 4.594 29.637 ( 0.770 0.529 0.000) 0.934 30.012 ( -0.252 -1.723 0.000) 1.742 30.080 ( 1.197 -8.026 0.000) 8.115 30.668 ( 6.508 -0.340 0.000) 6.517 30.811 ( 2.095 3.619 0.000) 4.182 30.957 ( 5.398 8.168 0.000) 9.790 31.242 ( -3.447 -3.519 0.000) 4.926 31.316 ( 5.636 -7.585 0.000) 9.450 31.613 ( 6.573 3.929 0.000) 7.658 32.270 ( 7.049 -16.718 0.000) 18.144 34.808 ( -27.751 25.329 0.000) 37.572 ======================= Grid point 13 (9/100) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 12.282 -14.529 0.000) 19.025 2.530 ( 12.659 -13.205 0.000) 18.293 2.623 ( 3.881 0.744 0.000) 3.952 2.972 ( -7.009 8.955 0.000) 11.372 2.991 ( -2.333 -8.894 0.000) 9.195 3.088 ( -2.583 5.775 0.000) 6.327 3.246 ( -3.997 5.244 0.000) 6.594 3.303 ( -0.550 3.811 0.000) 3.851 3.397 ( -1.069 -1.389 0.000) 1.753 3.958 ( 2.801 -3.133 0.000) 4.202 4.056 ( 9.144 -6.137 0.000) 11.013 4.072 ( 7.654 -11.074 0.000) 13.462 4.258 ( 5.353 -6.545 0.000) 8.455 4.302 ( -1.760 8.883 0.000) 9.055 4.660 ( -2.805 -3.138 0.000) 4.209 4.679 ( -1.708 1.992 0.000) 2.624 4.918 ( 4.385 6.819 0.000) 8.107 5.096 ( -8.298 5.434 0.000) 9.919 5.948 ( -6.179 -6.176 0.000) 8.736 6.400 ( 8.184 10.849 0.000) 13.590 6.415 ( -4.182 -8.202 0.000) 9.206 7.038 ( 3.587 -2.559 0.000) 4.406 7.168 ( 3.369 -6.890 0.000) 7.670 7.319 ( 1.641 -0.393 0.000) 1.687 7.448 ( -4.378 4.856 0.000) 6.539 7.494 ( -6.467 -3.086 0.000) 7.165 7.703 ( 2.432 4.168 0.000) 4.826 7.725 ( -7.096 -3.101 0.000) 7.744 8.213 ( 7.034 3.593 0.000) 7.898 8.436 ( -12.280 8.580 0.000) 14.981 8.919 ( 0.947 -1.929 0.000) 2.149 9.064 ( 6.046 -4.139 0.000) 7.327 9.183 ( 0.186 4.238 0.000) 4.242 9.670 ( 0.455 -1.647 0.000) 1.708 9.970 ( 4.997 10.122 0.000) 11.289 10.529 ( -4.406 -4.681 0.000) 6.428 10.553 ( -3.535 -2.642 0.000) 4.414 11.022 ( -0.860 9.778 0.000) 9.815 11.091 ( -9.241 4.679 0.000) 10.358 11.190 ( 2.539 -0.740 0.000) 2.645 11.251 ( 3.077 0.624 0.000) 3.139 11.405 ( -2.131 6.076 0.000) 6.439 11.529 ( -3.861 3.003 0.000) 4.892 12.013 ( -5.212 -0.865 0.000) 5.283 12.104 ( -4.940 0.633 0.000) 4.981 12.757 ( 2.039 0.004 0.000) 2.039 13.305 ( -11.215 -8.701 0.000) 14.194 13.872 ( 11.345 4.758 0.000) 12.302 14.403 ( -3.777 -0.706 0.000) 3.843 14.598 ( -2.629 -7.622 0.000) 8.063 15.353 ( 11.989 2.189 0.000) 12.188 15.690 ( 4.845 -4.288 0.000) 6.470 16.439 ( 0.638 -2.026 0.000) 2.124 16.576 ( 3.478 1.509 0.000) 3.791 16.824 ( 1.488 -3.005 0.000) 3.353 16.965 ( 3.223 -0.772 0.000) 3.314 18.354 ( 1.040 -3.517 0.000) 3.668 18.538 ( 1.415 0.776 0.000) 1.614 19.064 ( 5.527 -4.593 0.000) 7.186 19.180 ( -3.604 0.585 0.000) 3.652 19.464 ( -0.962 0.454 0.000) 1.064 19.729 ( -9.365 8.331 0.000) 12.534 19.810 ( -2.951 2.827 0.000) 4.087 19.855 ( -3.570 0.695 0.000) 3.637 20.866 ( -1.161 5.509 0.000) 5.630 21.018 ( -0.225 -3.807 0.000) 3.814 21.037 ( -1.507 -1.397 0.000) 2.055 21.540 ( 4.720 -0.587 0.000) 4.756 24.563 ( 0.037 -0.397 0.000) 0.399 24.600 ( 0.079 0.443 0.000) 0.450 25.278 ( 2.186 2.105 0.000) 3.035 25.490 ( -2.471 -5.677 0.000) 6.191 26.008 ( 2.451 -7.969 0.000) 8.337 26.330 ( -1.518 3.759 0.000) 4.053 27.047 ( 1.650 8.440 0.000) 8.600 27.216 ( -2.545 -2.514 0.000) 3.577 27.599 ( -2.027 -11.830 0.000) 12.002 28.304 ( -4.904 15.653 0.000) 16.403 29.520 ( -0.426 -3.643 0.000) 3.667 29.639 ( 1.971 1.037 0.000) 2.227 30.059 ( 0.079 -3.424 0.000) 3.425 30.245 ( 0.517 -9.985 0.000) 9.998 30.681 ( 2.847 4.558 0.000) 5.374 30.785 ( 1.877 1.252 0.000) 2.257 30.832 ( 3.140 10.984 0.000) 11.424 31.270 ( -4.096 -4.100 0.000) 5.796 31.473 ( 2.893 -5.280 0.000) 6.021 31.616 ( 8.684 5.020 0.000) 10.031 32.696 ( 9.166 -23.296 0.000) 25.034 34.085 ( -24.294 27.268 0.000) 36.520 ======================= Grid point 14 (10/100) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 1.442 -2.257 0.000) 2.678 2.557 ( -0.511 2.186 0.000) 2.245 2.791 ( -3.126 4.091 0.000) 5.149 2.876 ( -5.476 13.044 0.000) 14.147 2.887 ( 7.688 -10.570 0.000) 13.070 3.110 ( -0.677 -5.562 0.000) 5.603 3.148 ( -1.001 -1.439 0.000) 1.753 3.285 ( 1.493 0.481 0.000) 1.569 3.386 ( -1.955 -0.033 0.000) 1.955 4.024 ( 1.271 4.031 0.000) 4.226 4.072 ( 1.978 1.198 0.000) 2.313 4.189 ( 3.403 -1.151 0.000) 3.592 4.267 ( 1.156 -1.823 0.000) 2.159 4.516 ( 1.706 4.989 0.000) 5.273 4.552 ( -1.699 -2.896 0.000) 3.357 4.672 ( -3.971 -2.077 0.000) 4.481 4.744 ( -5.247 7.654 0.000) 9.280 5.138 ( 12.833 -5.071 0.000) 13.798 5.988 ( -6.768 -5.754 0.000) 8.883 6.283 ( 4.802 10.427 0.000) 11.480 6.499 ( -3.678 -5.646 0.000) 6.738 7.095 ( 3.975 0.492 0.000) 4.005 7.263 ( 2.241 0.166 0.000) 2.247 7.324 ( -3.357 3.938 0.000) 5.175 7.361 ( 1.203 -2.105 0.000) 2.424 7.517 ( -4.456 -5.401 0.000) 7.002 7.655 ( 0.597 3.611 0.000) 3.660 7.733 ( -5.665 -4.825 0.000) 7.441 8.193 ( 3.360 4.011 0.000) 5.232 8.280 ( -6.649 -3.628 0.000) 7.574 8.914 ( -1.889 2.960 0.000) 3.511 9.126 ( 3.277 3.436 0.000) 4.748 9.190 ( 6.505 -3.289 0.000) 7.289 9.662 ( -3.540 1.875 0.000) 4.005 9.861 ( 0.908 4.979 0.000) 5.061 10.580 ( -3.934 -6.901 0.000) 7.944 10.620 ( 2.536 -5.309 0.000) 5.883 10.872 ( 2.619 7.917 0.000) 8.339 11.008 ( -4.210 -3.339 0.000) 5.374 11.183 ( 2.280 0.751 0.000) 2.401 11.326 ( 0.543 1.459 0.000) 1.557 11.333 ( 3.327 4.264 0.000) 5.408 11.486 ( 2.885 -3.804 0.000) 4.774 11.988 ( -5.423 -2.478 0.000) 5.962 12.070 ( -4.097 -2.032 0.000) 4.574 12.779 ( 3.870 0.815 0.000) 3.955 13.335 ( -12.757 -8.607 0.000) 15.389 13.881 ( 9.512 6.240 0.000) 11.376 14.366 ( -5.933 -1.011 0.000) 6.018 14.644 ( -1.759 -1.124 0.000) 2.088 15.406 ( 8.747 4.720 0.000) 9.939 15.760 ( -0.370 -0.892 0.000) 0.966 16.480 ( 1.369 -1.487 0.000) 2.022 16.568 ( 3.693 3.050 0.000) 4.789 16.854 ( -2.279 -0.289 0.000) 2.297 16.984 ( 1.390 1.357 0.000) 1.942 18.404 ( -0.106 -1.388 0.000) 1.392 18.523 ( 0.073 1.571 0.000) 1.573 19.030 ( 0.150 4.558 0.000) 4.561 19.243 ( 2.824 -3.863 0.000) 4.785 19.520 ( -7.335 5.389 0.000) 9.102 19.580 ( 3.512 -9.093 0.000) 9.748 19.765 ( -1.444 -0.285 0.000) 1.471 19.834 ( -1.937 -1.503 0.000) 2.451 20.792 ( -0.094 1.648 0.000) 1.650 21.020 ( -2.898 0.525 0.000) 2.945 21.079 ( 1.015 -1.919 0.000) 2.171 21.571 ( 2.462 1.329 0.000) 2.798 24.573 ( -0.004 -0.645 0.000) 0.645 24.589 ( 0.010 0.738 0.000) 0.738 25.262 ( 1.408 1.682 0.000) 2.194 25.530 ( -4.863 -3.217 0.000) 5.831 26.079 ( 4.050 3.983 0.000) 5.681 26.307 ( -2.680 -3.479 0.000) 4.391 26.947 ( 1.827 4.470 0.000) 4.829 27.239 ( -0.923 -2.167 0.000) 2.355 27.829 ( 0.819 -15.006 0.000) 15.029 28.029 ( -2.713 11.240 0.000) 11.562 29.567 ( 0.335 -1.627 0.000) 1.661 29.634 ( 1.321 1.584 0.000) 2.063 30.118 ( 1.186 -2.414 0.000) 2.690 30.423 ( -0.435 -10.399 0.000) 10.408 30.592 ( -3.285 4.564 0.000) 5.623 30.651 ( 1.428 12.509 0.000) 12.590 30.793 ( 3.120 1.213 0.000) 3.348 31.303 ( -3.849 -4.352 0.000) 5.810 31.543 ( 0.687 -0.698 0.000) 0.979 31.599 ( 7.868 6.782 0.000) 10.387 33.154 ( 1.215 -6.784 0.000) 6.892 33.526 ( -8.183 1.112 0.000) 8.258 ======================= Grid point 16 (11/100) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -6.490 20.115 0.000) 21.136 2.506 ( -4.275 12.379 0.000) 13.097 2.529 ( -5.007 9.749 0.000) 10.959 2.877 ( 0.874 -12.846 0.000) 12.876 3.099 ( 4.447 -7.326 0.000) 8.570 3.169 ( 0.811 -0.559 0.000) 0.985 3.244 ( 1.537 -3.832 0.000) 4.129 3.268 ( 1.285 2.294 0.000) 2.630 3.375 ( -2.522 -0.113 0.000) 2.524 3.929 ( -1.150 2.077 0.000) 2.374 4.047 ( 0.534 6.487 0.000) 6.509 4.142 ( -4.782 18.891 0.000) 19.487 4.235 ( -3.297 4.470 0.000) 5.554 4.340 ( 7.920 -5.409 0.000) 9.591 4.603 ( -3.024 -2.049 0.000) 3.653 4.651 ( -4.981 -0.594 0.000) 5.017 4.747 ( 1.256 -5.491 0.000) 5.633 5.379 ( 14.176 -4.662 0.000) 14.923 6.016 ( -8.135 -6.328 0.000) 10.307 6.144 ( 0.718 7.949 0.000) 7.981 6.520 ( -2.147 0.138 0.000) 2.151 7.100 ( 2.816 2.444 0.000) 3.729 7.228 ( 1.879 5.405 0.000) 5.722 7.254 ( -1.016 1.593 0.000) 1.889 7.416 ( -1.160 -3.653 0.000) 3.832 7.553 ( -4.080 -3.490 0.000) 5.368 7.606 ( -1.017 0.230 0.000) 1.043 7.778 ( -2.861 -5.797 0.000) 6.464 8.151 ( 2.256 4.341 0.000) 4.893 8.437 ( 1.812 -15.113 0.000) 15.221 8.834 ( -3.637 1.111 0.000) 3.803 9.098 ( 4.315 6.908 0.000) 8.145 9.282 ( 4.911 -0.955 0.000) 5.003 9.552 ( -7.375 1.790 0.000) 7.589 9.826 ( -0.516 0.099 0.000) 0.525 10.725 ( -1.306 -7.873 0.000) 7.980 10.732 ( 6.090 -2.617 0.000) 6.629 10.806 ( 2.473 -1.256 0.000) 2.773 11.106 ( 0.186 -9.305 0.000) 9.306 11.123 ( -1.870 8.111 0.000) 8.324 11.324 ( 7.602 -2.083 0.000) 7.882 11.375 ( 2.276 -5.195 0.000) 5.672 11.632 ( 4.926 -5.357 0.000) 7.278 11.991 ( -4.087 -3.310 0.000) 5.259 12.091 ( -3.221 -4.469 0.000) 5.509 12.803 ( 4.629 1.475 0.000) 4.858 13.349 ( -11.577 -7.126 0.000) 13.595 13.841 ( 7.427 8.337 0.000) 11.165 14.326 ( -6.269 -1.610 0.000) 6.473 14.631 ( -1.869 0.157 0.000) 1.875 15.345 ( 4.843 9.885 0.000) 11.008 15.701 ( -2.454 6.194 0.000) 6.662 16.507 ( 2.259 0.905 0.000) 2.433 16.559 ( 3.356 1.675 0.000) 3.750 16.784 ( -5.107 3.836 0.000) 6.387 16.948 ( -0.408 3.193 0.000) 3.219 18.386 ( -0.674 3.014 0.000) 3.088 18.500 ( -0.815 0.604 0.000) 1.014 19.001 ( -0.120 0.070 0.000) 0.139 19.282 ( 0.501 2.403 0.000) 2.455 19.425 ( -1.107 -2.130 0.000) 2.400 19.794 ( -0.013 -3.865 0.000) 3.865 19.810 ( 5.631 -11.311 0.000) 12.635 19.866 ( -0.345 -3.427 0.000) 3.444 20.815 ( 0.788 -3.754 0.000) 3.836 20.974 ( -4.247 0.386 0.000) 4.264 21.092 ( 1.200 1.519 0.000) 1.936 21.540 ( 0.833 4.200 0.000) 4.281 24.570 ( -0.090 0.750 0.000) 0.756 24.589 ( -0.013 -0.602 0.000) 0.602 25.255 ( 1.443 0.550 0.000) 1.544 25.514 ( -5.800 -1.468 0.000) 5.983 25.993 ( 0.907 7.824 0.000) 7.876 26.346 ( -0.770 -2.187 0.000) 2.318 26.949 ( 1.557 -2.909 0.000) 3.300 27.268 ( 0.324 -1.352 0.000) 1.390 27.815 ( 0.039 9.514 0.000) 9.514 28.158 ( 2.649 -17.526 0.000) 17.725 29.579 ( 0.829 0.744 0.000) 1.114 29.612 ( 0.269 1.652 0.000) 1.674 30.162 ( 3.593 -0.058 0.000) 3.593 30.440 ( 0.289 12.784 0.000) 12.788 30.480 ( -6.866 2.278 0.000) 7.234 30.586 ( -1.246 -9.443 0.000) 9.525 30.794 ( 1.508 1.645 0.000) 2.231 31.346 ( -2.707 -4.564 0.000) 5.307 31.509 ( -0.701 4.601 0.000) 4.654 31.536 ( 4.958 7.790 0.000) 9.234 32.791 ( -9.189 21.076 0.000) 22.992 34.045 ( 9.598 -36.553 0.000) 37.792 ======================= Grid point 17 (12/100) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -6.280 28.015 0.000) 28.710 2.004 ( -6.721 29.726 0.000) 30.477 2.496 ( -1.850 -0.440 0.000) 1.901 2.987 ( -5.978 35.537 0.000) 36.036 3.082 ( 0.984 8.848 0.000) 8.903 3.163 ( 1.009 -17.820 0.000) 17.848 3.208 ( 3.540 2.414 0.000) 4.285 3.312 ( -3.733 2.515 0.000) 4.501 3.343 ( 0.667 -10.132 0.000) 10.154 3.879 ( 1.147 -3.167 0.000) 3.368 3.975 ( 0.883 -6.863 0.000) 6.919 4.043 ( 0.367 2.479 0.000) 2.506 4.137 ( -1.882 3.109 0.000) 3.634 4.466 ( 5.908 0.543 0.000) 5.933 4.584 ( -2.242 1.625 0.000) 2.769 4.604 ( -4.867 -0.682 0.000) 4.915 4.873 ( 1.930 -6.123 0.000) 6.420 5.549 ( 6.921 -3.496 0.000) 7.754 6.009 ( -3.286 -0.313 0.000) 3.301 6.122 ( -2.792 -7.601 0.000) 8.097 6.454 ( -0.766 5.393 0.000) 5.447 7.092 ( 4.060 1.731 0.000) 4.413 7.122 ( 0.762 8.319 0.000) 8.354 7.216 ( -2.733 2.102 0.000) 3.448 7.458 ( -2.571 -3.833 0.000) 4.615 7.598 ( -2.016 -6.246 0.000) 6.563 7.631 ( 0.666 -2.408 0.000) 2.499 7.885 ( 0.780 -7.501 0.000) 7.542 8.092 ( 1.386 4.082 0.000) 4.310 8.745 ( 3.435 -15.776 0.000) 16.145 8.835 ( -1.429 -3.800 0.000) 4.060 8.914 ( -1.171 14.331 0.000) 14.379 9.356 ( 5.812 1.016 0.000) 5.900 9.497 ( -6.528 -4.294 0.000) 7.813 9.844 ( -0.713 -3.122 0.000) 3.203 10.694 ( 5.249 7.124 0.000) 8.849 10.839 ( 5.557 -3.929 0.000) 6.806 10.854 ( -8.872 5.618 0.000) 10.501 11.148 ( 1.789 -17.871 0.000) 17.960 11.295 ( 1.017 -11.297 0.000) 11.343 11.499 ( 10.666 -6.725 0.000) 12.609 11.522 ( 1.966 -8.502 0.000) 8.726 11.729 ( -0.761 -3.178 0.000) 3.267 12.016 ( -1.887 -2.811 0.000) 3.385 12.153 ( -1.760 -5.383 0.000) 5.663 12.813 ( 3.272 2.022 0.000) 3.847 13.353 ( -7.354 -4.377 0.000) 8.558 13.736 ( 4.428 10.949 0.000) 11.811 14.304 ( -4.181 -2.180 0.000) 4.715 14.585 ( -1.453 4.718 0.000) 4.936 15.183 ( 1.518 12.123 0.000) 12.218 15.527 ( -2.068 9.626 0.000) 9.846 16.490 ( 2.389 3.763 0.000) 4.458 16.569 ( 2.550 1.195 0.000) 2.816 16.652 ( -5.270 4.308 0.000) 6.806 16.874 ( -1.052 4.280 0.000) 4.408 18.305 ( -0.686 5.100 0.000) 5.146 18.476 ( -0.863 1.292 0.000) 1.553 18.955 ( -0.467 5.856 0.000) 5.874 19.216 ( -0.839 3.338 0.000) 3.442 19.580 ( 2.277 -13.777 0.000) 13.964 19.886 ( 0.612 -5.976 0.000) 6.007 19.938 ( 0.452 -4.540 0.000) 4.562 20.055 ( 4.767 -10.550 0.000) 11.577 20.917 ( 0.803 -6.166 0.000) 6.218 20.931 ( -3.741 -0.087 0.000) 3.742 21.072 ( 1.024 0.942 0.000) 1.392 21.446 ( -0.155 6.974 0.000) 6.975 24.559 ( -0.074 0.374 0.000) 0.381 24.598 ( -0.038 -0.317 0.000) 0.319 25.271 ( 2.016 -0.140 0.000) 2.021 25.481 ( -3.737 -0.739 0.000) 3.809 25.848 ( -1.159 8.480 0.000) 8.559 26.368 ( -0.312 -1.217 0.000) 1.256 27.056 ( 0.915 -7.042 0.000) 7.102 27.291 ( 0.760 -0.781 0.000) 1.090 27.674 ( 0.953 7.575 0.000) 7.635 28.463 ( 1.715 -14.087 0.000) 14.191 29.562 ( 1.163 2.191 0.000) 2.480 29.597 ( -0.451 -0.550 0.000) 0.711 30.205 ( 7.998 1.248 0.000) 8.094 30.229 ( -0.177 11.535 0.000) 11.536 30.387 ( -9.606 -1.147 0.000) 9.674 30.719 ( -1.339 -7.443 0.000) 7.563 30.758 ( -0.538 3.328 0.000) 3.372 31.377 ( -1.069 9.528 0.000) 9.588 31.407 ( -0.390 -3.694 0.000) 3.715 31.439 ( 1.027 6.041 0.000) 6.128 32.396 ( -3.547 17.489 0.000) 17.846 34.782 ( 6.962 -38.014 0.000) 38.646 ======================= Grid point 18 (13/100) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -0.000 32.263 0.000) 32.263 1.390 ( -0.000 36.703 0.000) 36.703 2.126 ( -0.000 55.754 0.000) 55.754 2.503 ( 0.000 -1.505 0.000) 1.505 2.909 ( -0.000 10.841 0.000) 10.841 3.167 ( -0.000 3.548 0.000) 3.548 3.235 ( -0.000 3.506 0.000) 3.506 3.479 ( 0.000 -17.822 0.000) 17.822 3.556 ( 0.000 -13.044 0.000) 13.044 3.982 ( 0.000 -1.450 0.000) 1.450 4.005 ( -0.000 1.930 0.000) 1.930 4.138 ( 0.000 -10.222 0.000) 10.222 4.166 ( 0.000 -10.020 0.000) 10.020 4.402 ( -0.000 8.046 0.000) 8.046 4.510 ( -0.000 5.285 0.000) 5.285 4.603 ( 0.000 -0.244 0.000) 0.244 4.931 ( -0.000 1.577 0.000) 1.577 5.673 ( 0.000 -7.563 0.000) 7.563 6.046 ( 0.000 -5.598 0.000) 5.598 6.284 ( 0.000 -11.810 0.000) 11.810 6.342 ( -0.000 6.552 0.000) 6.552 6.969 ( -0.000 9.540 0.000) 9.540 7.088 ( -0.000 7.095 0.000) 7.095 7.151 ( 0.000 -2.744 0.000) 2.744 7.512 ( 0.000 -3.666 0.000) 3.666 7.679 ( 0.000 -2.192 0.000) 2.192 7.715 ( 0.000 -7.730 0.000) 7.730 8.010 ( 0.000 -3.992 0.000) 3.992 8.065 ( 0.000 -1.583 0.000) 1.583 8.661 ( -0.000 12.403 0.000) 12.403 8.912 ( 0.000 -4.985 0.000) 4.985 9.000 ( 0.000 -11.122 0.000) 11.122 9.295 ( -0.000 6.600 0.000) 6.600 9.581 ( 0.000 -6.112 0.000) 6.112 9.902 ( 0.000 -2.989 0.000) 2.989 10.627 ( -0.000 9.596 0.000) 9.596 10.635 ( -0.000 6.439 0.000) 6.439 11.012 ( 0.000 -13.478 0.000) 13.478 11.492 ( 0.000 -10.506 0.000) 10.506 11.511 ( 0.000 -19.985 0.000) 19.985 11.673 ( 0.000 -7.069 0.000) 7.069 11.727 ( -0.000 0.003 0.000) 0.003 11.749 ( 0.000 -13.462 0.000) 13.462 12.046 ( 0.000 -1.890 0.000) 1.890 12.228 ( 0.000 -4.129 0.000) 4.129 12.789 ( -0.000 2.920 0.000) 2.920 13.365 ( 0.000 -1.730 0.000) 1.730 13.551 ( -0.000 13.080 0.000) 13.080 14.332 ( 0.000 -3.565 0.000) 3.565 14.385 ( -0.000 17.959 0.000) 17.959 14.976 ( -0.000 12.250 0.000) 12.250 15.410 ( -0.000 1.648 0.000) 1.648 16.424 ( -0.000 4.543 0.000) 4.543 16.540 ( -0.000 4.644 0.000) 4.644 16.584 ( 0.000 -0.295 0.000) 0.295 16.790 ( -0.000 4.570 0.000) 4.570 18.214 ( -0.000 4.799 0.000) 4.799 18.442 ( -0.000 1.950 0.000) 1.950 18.811 ( -0.000 9.497 0.000) 9.497 19.164 ( -0.000 2.307 0.000) 2.307 19.890 ( 0.000 -19.465 0.000) 19.465 19.992 ( 0.000 -5.491 0.000) 5.491 20.020 ( 0.000 -4.426 0.000) 4.426 20.242 ( 0.000 -7.840 0.000) 7.840 20.903 ( -0.000 1.453 0.000) 1.453 20.994 ( 0.000 -2.128 0.000) 2.128 21.122 ( 0.000 -5.798 0.000) 5.798 21.310 ( -0.000 7.975 0.000) 7.975 24.558 ( 0.000 -0.258 0.000) 0.258 24.599 ( -0.000 0.153 0.000) 0.153 25.281 ( -0.000 0.569 0.000) 0.569 25.483 ( 0.000 -1.296 0.000) 1.296 25.701 ( -0.000 7.238 0.000) 7.238 26.386 ( 0.000 -1.253 0.000) 1.253 27.176 ( 0.000 -5.726 0.000) 5.726 27.311 ( 0.000 -1.076 0.000) 1.076 27.567 ( -0.000 5.792 0.000) 5.792 28.650 ( 0.000 -7.111 0.000) 7.111 29.534 ( -0.000 1.747 0.000) 1.747 29.641 ( 0.000 -5.301 0.000) 5.301 30.052 ( -0.000 8.732 0.000) 8.732 30.248 ( -0.000 1.967 0.000) 1.967 30.371 ( 0.000 -5.601 0.000) 5.601 30.669 ( -0.000 5.948 0.000) 5.948 30.818 ( 0.000 -5.063 0.000) 5.063 31.176 ( -0.000 12.637 0.000) 12.637 31.333 ( -0.000 5.449 0.000) 5.449 31.494 ( 0.000 -5.538 0.000) 5.538 32.112 ( -0.000 13.918 0.000) 13.918 35.428 ( 0.000 -31.564 0.000) 31.564 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 32.347 0.000 0.000) 32.347 1.568 ( 33.437 0.000 0.000) 33.437 2.319 ( 48.950 0.000 0.000) 48.950 2.652 ( -0.489 -0.000 0.000) 0.489 2.783 ( 7.495 0.000 0.000) 7.495 3.130 ( 1.633 0.000 0.000) 1.633 3.224 ( 1.477 0.000 0.000) 1.477 3.728 ( -13.886 -0.000 0.000) 13.886 3.754 ( -9.432 -0.000 0.000) 9.432 3.762 ( -9.184 -0.000 0.000) 9.184 3.799 ( -5.999 -0.000 0.000) 5.999 3.983 ( 0.811 0.000 0.000) 0.811 4.163 ( 0.124 0.000 0.000) 0.124 4.545 ( -1.319 -0.000 0.000) 1.319 4.551 ( 3.368 0.000 0.000) 3.368 4.645 ( 1.315 0.000 0.000) 1.315 4.768 ( 3.009 0.000 0.000) 3.009 5.558 ( -11.803 -0.000 0.000) 11.803 5.909 ( -9.247 -0.000 0.000) 9.247 6.159 ( -3.473 -0.000 0.000) 3.473 6.760 ( 4.418 0.000 0.000) 4.418 6.816 ( 6.608 0.000 0.000) 6.608 6.836 ( 2.743 0.000 0.000) 2.743 7.429 ( -3.603 -0.000 0.000) 3.603 7.514 ( -2.586 -0.000 0.000) 2.586 7.524 ( -8.460 -0.000 0.000) 8.460 7.808 ( -8.731 -0.000 0.000) 8.731 7.832 ( -2.860 -0.000 0.000) 2.860 8.175 ( 15.486 0.000 0.000) 15.486 8.854 ( 10.977 0.000 0.000) 10.977 8.921 ( -8.864 -0.000 0.000) 8.864 9.145 ( 3.025 0.000 0.000) 3.025 9.217 ( -14.026 -0.000 0.000) 14.026 9.693 ( -0.725 -0.000 0.000) 0.725 9.952 ( 2.047 0.000 0.000) 2.047 10.372 ( 7.079 0.000 0.000) 7.079 10.656 ( 7.671 0.000 0.000) 7.671 11.041 ( -10.320 -0.000 0.000) 10.320 11.406 ( 3.068 0.000 0.000) 3.068 11.469 ( -13.691 -0.000 0.000) 13.691 11.583 ( -19.569 -0.000 0.000) 19.569 11.665 ( -15.076 -0.000 0.000) 15.076 11.680 ( -4.275 -0.000 0.000) 4.275 12.113 ( -2.200 -0.000 0.000) 2.200 12.203 ( -6.666 -0.000 0.000) 6.666 12.643 ( 0.595 0.000 0.000) 0.595 13.220 ( 0.897 0.000 0.000) 0.897 13.884 ( 2.185 0.000 0.000) 2.185 13.925 ( 13.521 0.000 0.000) 13.521 14.491 ( -8.281 -0.000 0.000) 8.281 15.225 ( 28.154 0.000 0.000) 28.154 15.603 ( 6.317 0.000 0.000) 6.317 16.384 ( -0.303 -0.000 0.000) 0.303 16.410 ( 3.593 0.000 0.000) 3.593 16.794 ( 5.541 0.000 0.000) 5.541 16.867 ( 5.720 0.000 0.000) 5.720 18.198 ( 3.078 0.000 0.000) 3.078 18.505 ( 4.171 0.000 0.000) 4.171 18.668 ( 3.555 0.000 0.000) 3.555 19.109 ( -1.336 -0.000 0.000) 1.336 19.845 ( -14.116 -0.000 0.000) 14.116 19.975 ( -5.427 -0.000 0.000) 5.427 19.986 ( -5.069 -0.000 0.000) 5.069 20.388 ( -7.931 -0.000 0.000) 7.931 20.705 ( -0.175 -0.000 0.000) 0.175 20.887 ( -4.154 -0.000 0.000) 4.154 21.165 ( -3.907 -0.000 0.000) 3.907 21.471 ( 9.785 0.000 0.000) 9.785 24.577 ( -0.067 -0.000 0.000) 0.067 24.588 ( 0.162 0.000 0.000) 0.162 25.031 ( 2.919 0.000 0.000) 2.919 25.368 ( 4.950 0.000 0.000) 4.950 25.521 ( -1.657 -0.000 0.000) 1.657 26.604 ( -1.604 -0.000 0.000) 1.604 27.092 ( -3.539 -0.000 0.000) 3.539 27.296 ( 1.650 0.000 0.000) 1.650 27.353 ( -0.200 -0.000 0.000) 0.200 29.252 ( 1.361 0.000 0.000) 1.361 29.271 ( -19.015 -0.000 0.000) 19.015 29.562 ( 3.432 0.000 0.000) 3.432 29.933 ( 1.715 0.000 0.000) 1.715 30.085 ( 3.100 0.000 0.000) 3.100 30.544 ( 5.544 0.000 0.000) 5.544 30.929 ( 1.461 0.000 0.000) 1.461 31.119 ( 8.862 0.000 0.000) 8.862 31.179 ( -2.441 -0.000 0.000) 2.441 31.179 ( 9.545 0.000 0.000) 9.545 31.696 ( 0.763 0.000 0.000) 0.763 31.951 ( 9.312 0.000 0.000) 9.312 35.281 ( -32.971 -0.000 0.000) 32.971 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 27.508 -8.899 0.000) 28.911 1.988 ( 26.424 -12.177 0.000) 29.095 2.694 ( -0.020 -4.570 0.000) 4.570 2.797 ( 3.879 4.459 0.000) 5.910 2.842 ( 24.982 -11.733 0.000) 27.600 3.152 ( 1.197 -0.376 0.000) 1.255 3.274 ( 0.187 -4.169 0.000) 4.173 3.484 ( -9.297 8.865 0.000) 12.846 3.554 ( -5.965 8.618 0.000) 10.481 3.748 ( 0.489 -2.188 0.000) 2.242 3.830 ( -4.274 -5.084 0.000) 6.641 4.015 ( 1.028 -2.373 0.000) 2.586 4.165 ( 1.362 0.032 0.000) 1.363 4.533 ( 0.495 1.206 0.000) 1.304 4.560 ( -1.397 0.277 0.000) 1.425 4.660 ( 1.003 -1.394 0.000) 1.717 4.870 ( 0.418 -6.848 0.000) 6.860 5.396 ( -9.521 6.510 0.000) 11.534 5.810 ( -7.882 0.079 0.000) 7.882 6.163 ( -4.107 -4.685 0.000) 6.231 6.736 ( 6.201 6.733 0.000) 9.153 6.906 ( 4.636 -3.407 0.000) 5.753 6.927 ( 4.350 -4.914 0.000) 6.563 7.351 ( -3.318 2.253 0.000) 4.010 7.441 ( -8.661 -0.457 0.000) 8.673 7.511 ( -4.290 -1.453 0.000) 4.530 7.711 ( -7.907 1.201 0.000) 7.997 7.799 ( -2.371 0.538 0.000) 2.432 8.327 ( 16.470 2.677 0.000) 16.686 8.839 ( -7.666 -1.736 0.000) 7.860 8.897 ( -14.024 15.980 0.000) 21.261 8.952 ( 7.969 -0.773 0.000) 8.006 9.221 ( 5.284 -3.029 0.000) 6.091 9.646 ( -1.599 2.835 0.000) 3.255 10.040 ( 2.876 -6.546 0.000) 7.150 10.481 ( 4.996 -2.790 0.000) 5.722 10.810 ( -6.186 15.684 0.000) 16.860 10.842 ( 6.916 -10.725 0.000) 12.761 11.289 ( -14.163 4.272 0.000) 14.793 11.346 ( -12.914 4.312 0.000) 13.614 11.442 ( -4.332 3.298 0.000) 5.444 11.526 ( -8.505 -1.966 0.000) 8.729 11.599 ( -4.647 3.829 0.000) 6.021 12.055 ( -3.861 3.152 0.000) 4.984 12.132 ( -6.953 0.193 0.000) 6.956 12.677 ( -0.197 -3.210 0.000) 3.216 13.204 ( 0.332 2.284 0.000) 2.308 14.014 ( 11.657 3.460 0.000) 12.159 14.051 ( 1.253 -15.319 0.000) 15.370 14.409 ( -8.403 -0.424 0.000) 8.414 15.482 ( 22.962 2.016 0.000) 23.051 15.644 ( 7.770 1.931 0.000) 8.006 16.383 ( 0.128 -0.600 0.000) 0.614 16.490 ( 3.431 -4.350 0.000) 5.540 16.830 ( 4.281 1.876 0.000) 4.674 16.927 ( 6.011 -0.567 0.000) 6.037 18.246 ( 2.630 -2.047 0.000) 3.333 18.546 ( 3.523 -0.045 0.000) 3.524 18.768 ( 4.440 -6.731 0.000) 8.063 19.112 ( -1.825 -2.367 0.000) 2.989 19.681 ( -10.595 4.358 0.000) 11.456 19.904 ( -5.322 1.685 0.000) 5.583 19.916 ( -5.046 2.062 0.000) 5.451 20.137 ( -8.323 14.468 0.000) 16.691 20.826 ( -1.767 -10.073 0.000) 10.227 20.873 ( -1.758 -2.113 0.000) 2.749 21.090 ( -3.623 4.045 0.000) 5.430 21.552 ( 8.118 0.900 0.000) 8.168 24.568 ( -0.062 0.602 0.000) 0.605 24.597 ( 0.169 -0.539 0.000) 0.565 25.184 ( 2.343 -11.641 0.000) 11.874 25.374 ( 3.506 3.188 0.000) 4.739 25.586 ( -2.707 -8.826 0.000) 9.232 26.543 ( -1.023 4.912 0.000) 5.017 27.088 ( -4.583 -3.662 0.000) 5.866 27.288 ( 2.181 3.377 0.000) 4.020 27.365 ( -0.683 -1.889 0.000) 2.009 28.899 ( -10.189 16.584 0.000) 19.464 29.350 ( -2.472 -5.922 0.000) 6.417 29.626 ( 2.171 -2.282 0.000) 3.150 29.988 ( 1.634 -4.245 0.000) 4.548 30.059 ( 3.052 4.435 0.000) 5.383 30.664 ( 4.981 -5.663 0.000) 7.542 30.903 ( 0.981 3.949 0.000) 4.069 31.145 ( 6.310 5.883 0.000) 8.627 31.170 ( -1.953 -1.158 0.000) 2.270 31.293 ( 7.948 -2.861 0.000) 8.447 31.712 ( 4.513 -0.158 0.000) 4.516 32.127 ( 10.261 -8.233 0.000) 13.156 34.827 ( -34.311 12.676 0.000) 36.578 ======================= Grid point 23 (16/100) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 18.751 -8.170 0.000) 20.453 2.442 ( 17.666 -13.623 0.000) 22.309 2.710 ( 1.356 5.062 0.000) 5.241 2.821 ( -0.941 -7.780 0.000) 7.837 2.993 ( -6.587 1.990 0.000) 6.881 3.146 ( -0.126 2.384 0.000) 2.388 3.282 ( -9.033 5.365 0.000) 10.506 3.336 ( -2.150 -3.490 0.000) 4.100 3.375 ( -2.998 6.326 0.000) 7.000 3.905 ( 1.758 -5.613 0.000) 5.882 3.988 ( 18.534 -10.405 0.000) 21.255 4.080 ( 5.273 -2.823 0.000) 5.981 4.204 ( 1.726 -3.695 0.000) 4.078 4.452 ( 0.483 8.358 0.000) 8.372 4.563 ( -4.458 -3.445 0.000) 5.634 4.685 ( -0.447 -0.024 0.000) 0.448 4.981 ( 1.981 -5.165 0.000) 5.532 5.162 ( -5.917 10.898 0.000) 12.401 5.780 ( -6.539 -4.711 0.000) 8.059 6.229 ( -4.408 -7.624 0.000) 8.806 6.661 ( 6.770 9.477 0.000) 11.647 7.026 ( 5.446 -4.159 0.000) 6.852 7.078 ( 4.999 -7.403 0.000) 8.933 7.314 ( -1.498 -0.588 0.000) 1.609 7.379 ( -7.573 -1.975 0.000) 7.826 7.460 ( -4.736 2.077 0.000) 5.171 7.627 ( -6.438 -0.129 0.000) 6.440 7.772 ( -0.038 1.202 0.000) 1.203 8.359 ( 5.526 5.868 0.000) 8.060 8.481 ( -15.697 14.200 0.000) 21.167 8.874 ( 3.010 -4.671 0.000) 5.557 9.058 ( 5.641 -3.496 0.000) 6.636 9.283 ( 4.773 3.471 0.000) 5.902 9.619 ( -1.770 -2.633 0.000) 3.173 10.181 ( 6.671 -0.801 0.000) 6.719 10.478 ( -5.168 11.450 0.000) 12.562 10.527 ( 0.701 0.829 0.000) 1.086 11.067 ( -12.533 5.141 0.000) 13.547 11.084 ( 5.019 -4.713 0.000) 6.885 11.154 ( -8.023 -0.145 0.000) 8.024 11.313 ( -2.330 4.309 0.000) 4.899 11.477 ( -3.304 5.183 0.000) 6.146 11.539 ( 0.688 -0.524 0.000) 0.865 11.954 ( -6.718 1.674 0.000) 6.924 12.054 ( -6.710 1.074 0.000) 6.795 12.738 ( -0.023 -3.999 0.000) 3.999 13.159 ( -2.885 1.289 0.000) 3.160 14.050 ( 9.078 4.204 0.000) 10.004 14.325 ( -3.700 -4.943 0.000) 6.174 14.367 ( -4.055 -12.630 0.000) 13.265 15.554 ( 11.016 6.171 0.000) 12.626 15.736 ( 10.845 0.808 0.000) 10.875 16.411 ( 0.665 -2.032 0.000) 2.138 16.602 ( 3.789 -3.666 0.000) 5.272 16.825 ( 1.958 1.751 0.000) 2.627 16.993 ( 4.637 -0.529 0.000) 4.667 18.310 ( 1.465 -2.876 0.000) 3.228 18.568 ( 2.012 0.766 0.000) 2.153 18.964 ( 4.727 -9.972 0.000) 11.036 19.151 ( -1.044 -3.307 0.000) 3.468 19.505 ( -4.779 6.267 0.000) 7.881 19.807 ( -9.454 12.629 0.000) 15.776 19.824 ( -3.991 2.491 0.000) 4.705 19.829 ( -4.443 1.539 0.000) 4.702 20.921 ( 0.699 -2.280 0.000) 2.385 20.950 ( -2.379 -6.293 0.000) 6.728 20.976 ( -2.538 3.733 0.000) 4.514 21.602 ( 5.768 1.236 0.000) 5.899 24.561 ( -0.046 0.160 0.000) 0.166 24.604 ( 0.134 -0.083 0.000) 0.158 25.352 ( 2.766 2.941 0.000) 4.037 25.376 ( 1.324 -6.656 0.000) 6.786 25.762 ( -4.028 -15.903 0.000) 16.406 26.435 ( 0.011 6.689 0.000) 6.689 27.116 ( -3.729 -4.117 0.000) 5.554 27.218 ( 2.187 7.135 0.000) 7.463 27.418 ( -1.479 -6.165 0.000) 6.340 28.529 ( -6.638 16.288 0.000) 17.589 29.433 ( -0.746 -5.579 0.000) 5.628 29.667 ( 1.815 -0.208 0.000) 1.827 30.040 ( 2.377 0.559 0.000) 2.442 30.103 ( 1.091 -7.397 0.000) 7.477 30.775 ( 3.915 0.128 0.000) 3.917 30.829 ( 0.219 3.646 0.000) 3.653 31.051 ( 3.716 10.288 0.000) 10.939 31.179 ( -2.754 -2.609 0.000) 3.793 31.422 ( 4.675 -4.403 0.000) 6.422 31.776 ( 9.208 1.779 0.000) 9.379 32.432 ( 9.350 -16.259 0.000) 18.756 34.219 ( -29.987 19.476 0.000) 35.757 ======================= Grid point 24 (17/100) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 6.788 -5.005 0.000) 8.433 2.613 ( 0.133 4.411 0.000) 4.413 2.790 ( 7.997 -9.588 0.000) 12.486 2.865 ( -2.813 5.852 0.000) 6.493 2.962 ( -0.396 -7.444 0.000) 7.455 3.045 ( -1.371 7.245 0.000) 7.374 3.116 ( -7.111 1.903 0.000) 7.362 3.300 ( 0.096 0.897 0.000) 0.902 3.351 ( -2.916 -1.481 0.000) 3.270 4.051 ( 5.543 -5.724 0.000) 7.967 4.107 ( 2.591 -0.329 0.000) 2.611 4.233 ( 1.852 -3.533 0.000) 3.989 4.284 ( -0.112 9.848 0.000) 9.849 4.422 ( 6.568 -9.926 0.000) 11.902 4.574 ( -5.275 -3.352 0.000) 6.249 4.628 ( -1.586 4.774 0.000) 5.030 4.906 ( -2.444 13.782 0.000) 13.997 5.154 ( 10.826 -8.194 0.000) 13.577 5.815 ( -6.836 -6.129 0.000) 9.181 6.330 ( -3.684 -8.574 0.000) 9.332 6.536 ( 4.790 12.101 0.000) 13.014 7.134 ( 5.402 -1.513 0.000) 5.610 7.258 ( 5.596 -5.605 0.000) 7.920 7.328 ( -1.662 -2.159 0.000) 2.725 7.362 ( -2.991 3.866 0.000) 4.888 7.368 ( -5.166 -4.654 0.000) 6.953 7.600 ( -4.851 -3.421 0.000) 5.936 7.750 ( 2.732 4.107 0.000) 4.933 8.150 ( -15.676 3.297 0.000) 16.019 8.288 ( 0.457 4.650 0.000) 4.672 8.974 ( 4.627 1.600 0.000) 4.896 9.167 ( 3.284 -4.554 0.000) 5.615 9.238 ( 4.750 4.128 0.000) 6.293 9.650 ( -2.177 -0.577 0.000) 2.252 10.045 ( 2.260 14.719 0.000) 14.892 10.496 ( -1.856 0.340 0.000) 1.887 10.501 ( 0.942 -9.929 0.000) 9.973 10.912 ( -7.661 -0.212 0.000) 7.664 10.976 ( -3.568 4.854 0.000) 6.024 11.238 ( 4.139 1.201 0.000) 4.310 11.369 ( 5.664 -8.280 0.000) 10.032 11.373 ( -1.099 3.875 0.000) 4.027 11.513 ( 2.008 5.680 0.000) 6.025 11.885 ( -6.653 -1.778 0.000) 6.886 11.979 ( -7.118 -1.082 0.000) 7.200 12.817 ( 3.535 -3.000 0.000) 4.636 13.111 ( -7.895 -2.247 0.000) 8.209 14.052 ( 6.404 4.566 0.000) 7.865 14.282 ( -6.446 -1.035 0.000) 6.529 14.570 ( -0.463 -7.680 0.000) 7.694 15.572 ( 8.905 2.876 0.000) 9.358 15.769 ( 2.642 3.096 0.000) 4.070 16.460 ( 1.117 -2.397 0.000) 2.645 16.664 ( 4.926 1.695 0.000) 5.210 16.818 ( -1.865 -0.651 0.000) 1.976 17.025 ( 2.454 1.097 0.000) 2.688 18.367 ( 0.248 -2.588 0.000) 2.600 18.559 ( 0.664 1.872 0.000) 1.986 19.125 ( -1.463 0.954 0.000) 1.747 19.195 ( 7.409 -3.340 0.000) 8.127 19.448 ( -1.190 -5.199 0.000) 5.333 19.545 ( -8.776 6.847 0.000) 11.131 19.755 ( -2.351 1.392 0.000) 2.733 19.787 ( -2.884 -0.795 0.000) 2.991 20.848 ( -0.662 4.879 0.000) 4.924 20.991 ( -2.424 -1.347 0.000) 2.773 21.030 ( 1.051 -4.760 0.000) 4.875 21.624 ( 3.256 1.488 0.000) 3.580 24.563 ( -0.026 -0.435 0.000) 0.435 24.602 ( 0.061 0.523 0.000) 0.526 25.325 ( 2.392 3.196 0.000) 3.992 25.437 ( -2.789 -2.350 0.000) 3.647 26.016 ( -0.790 -14.618 0.000) 14.640 26.319 ( 0.129 6.859 0.000) 6.860 27.085 ( 1.813 8.325 0.000) 8.520 27.170 ( -1.933 -3.871 0.000) 4.327 27.567 ( -1.097 -13.100 0.000) 13.146 28.222 ( -3.092 13.789 0.000) 14.131 29.519 ( 0.174 -4.385 0.000) 4.388 29.672 ( 1.180 1.223 0.000) 1.700 30.082 ( 1.701 -2.629 0.000) 3.131 30.254 ( 0.342 -9.130 0.000) 9.136 30.678 ( -1.556 7.716 0.000) 7.872 30.845 ( 2.945 0.600 0.000) 3.005 30.882 ( 1.719 12.269 0.000) 12.389 31.205 ( -2.363 -3.414 0.000) 4.152 31.521 ( 1.804 -3.014 0.000) 3.513 31.802 ( 8.939 6.217 0.000) 10.889 32.871 ( 8.405 -24.049 0.000) 25.476 33.615 ( -21.397 19.719 0.000) 29.098 ======================= Grid point 25 (18/100) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -1.133 6.446 0.000) 6.545 2.542 ( -0.630 3.164 0.000) 3.227 2.751 ( -0.842 0.632 0.000) 1.053 2.794 ( -2.322 16.031 0.000) 16.198 2.986 ( 2.122 -8.558 0.000) 8.817 3.120 ( 1.195 -5.556 0.000) 5.683 3.145 ( 0.195 -7.247 0.000) 7.250 3.310 ( 0.829 -0.302 0.000) 0.882 3.343 ( -1.730 -0.603 0.000) 1.832 4.026 ( -0.261 9.278 0.000) 9.282 4.118 ( 2.331 1.819 0.000) 2.957 4.258 ( -2.243 1.022 0.000) 2.465 4.305 ( 6.005 -7.026 0.000) 9.243 4.460 ( -0.980 15.409 0.000) 15.440 4.553 ( -0.966 -1.491 0.000) 1.776 4.570 ( -5.141 -2.131 0.000) 5.565 4.697 ( -0.764 2.555 0.000) 2.667 5.426 ( 12.507 -6.852 0.000) 14.261 5.840 ( -7.209 -5.267 0.000) 8.928 6.343 ( 1.341 13.230 0.000) 13.297 6.437 ( -1.907 -6.575 0.000) 6.846 7.161 ( 1.650 2.649 0.000) 3.121 7.292 ( 0.763 1.493 0.000) 1.676 7.323 ( 3.121 1.420 0.000) 3.429 7.355 ( -1.617 -1.888 0.000) 2.486 7.437 ( -2.631 -5.155 0.000) 5.787 7.639 ( -1.770 6.732 0.000) 6.961 7.643 ( -2.595 -5.784 0.000) 6.339 8.166 ( -3.536 -14.662 0.000) 15.082 8.228 ( 0.459 2.918 0.000) 2.954 8.886 ( -0.632 7.398 0.000) 7.425 9.247 ( 6.832 2.610 0.000) 7.314 9.287 ( 2.562 -3.643 0.000) 4.454 9.552 ( -6.012 6.190 0.000) 8.629 9.872 ( 0.225 6.221 0.000) 6.225 10.533 ( -1.056 -7.100 0.000) 7.178 10.684 ( 2.566 -8.064 0.000) 8.463 10.884 ( -0.444 3.847 0.000) 3.873 10.942 ( -1.953 -7.992 0.000) 8.228 11.255 ( 3.083 4.146 0.000) 5.167 11.339 ( 0.420 -0.533 0.000) 0.678 11.401 ( 3.638 5.624 0.000) 6.698 11.559 ( 2.027 -7.217 0.000) 7.496 11.891 ( -2.188 -4.062 0.000) 4.614 11.964 ( -5.516 -4.515 0.000) 7.128 12.888 ( 6.444 1.749 0.000) 6.677 13.105 ( -9.539 -8.271 0.000) 12.625 14.015 ( 3.587 5.647 0.000) 6.690 14.248 ( -4.065 -1.216 0.000) 4.243 14.623 ( -0.426 -0.326 0.000) 0.536 15.571 ( 6.549 8.994 0.000) 11.126 15.726 ( -2.800 0.134 0.000) 2.803 16.508 ( 0.996 -1.862 0.000) 2.111 16.658 ( 4.694 3.862 0.000) 6.079 16.786 ( -4.046 1.560 0.000) 4.336 17.003 ( 0.510 2.969 0.000) 3.013 18.400 ( -0.213 -0.928 0.000) 0.952 18.522 ( -0.071 2.428 0.000) 2.429 19.039 ( 0.707 4.590 0.000) 4.644 19.310 ( 3.151 -1.137 0.000) 3.350 19.391 ( -4.888 1.402 0.000) 5.085 19.632 ( 1.440 -12.987 0.000) 13.067 19.740 ( -0.770 -1.643 0.000) 1.814 19.800 ( -1.082 -3.006 0.000) 3.194 20.793 ( 0.099 0.801 0.000) 0.807 20.963 ( -1.977 1.513 0.000) 2.489 21.100 ( 0.757 -1.918 0.000) 2.062 21.611 ( 1.194 2.765 0.000) 3.012 24.573 ( -0.028 -0.592 0.000) 0.593 24.590 ( 0.009 0.768 0.000) 0.768 25.296 ( 1.766 2.306 0.000) 2.905 25.431 ( -3.894 -1.471 0.000) 4.162 26.155 ( 3.304 6.317 0.000) 7.128 26.250 ( -2.763 -6.252 0.000) 6.836 26.978 ( 0.936 4.630 0.000) 4.723 27.226 ( -0.379 -3.428 0.000) 3.449 27.845 ( 0.580 -18.724 0.000) 18.733 27.991 ( -1.051 10.772 0.000) 10.823 29.578 ( 0.537 -1.923 0.000) 1.996 29.651 ( 0.319 2.106 0.000) 2.130 30.152 ( 1.567 -3.440 0.000) 3.780 30.417 ( -0.179 -9.514 0.000) 9.516 30.522 ( -2.636 7.614 0.000) 8.057 30.671 ( 0.525 13.341 0.000) 13.352 30.843 ( 1.465 2.003 0.000) 2.482 31.250 ( -1.360 -4.085 0.000) 4.305 31.552 ( 0.231 0.669 0.000) 0.708 31.735 ( 4.513 9.154 0.000) 10.206 33.057 ( -5.724 18.559 0.000) 19.422 33.499 ( 1.497 -32.057 0.000) 32.092 ======================= Grid point 26 (19/100) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -0.000 22.405 0.000) 22.405 2.438 ( -0.000 23.700 0.000) 23.700 2.498 ( -0.000 1.485 0.000) 1.485 2.886 ( 0.000 -13.918 0.000) 13.918 3.154 ( 0.000 -9.942 0.000) 9.942 3.169 ( -0.000 0.788 0.000) 0.788 3.257 ( 0.000 -1.240 0.000) 1.240 3.301 ( -0.000 2.941 0.000) 2.941 3.328 ( -0.000 1.123 0.000) 1.123 3.918 ( -0.000 1.334 0.000) 1.334 4.058 ( -0.000 23.064 0.000) 23.064 4.091 ( -0.000 2.693 0.000) 2.693 4.194 ( -0.000 4.399 0.000) 4.399 4.473 ( 0.000 -6.872 0.000) 6.872 4.549 ( -0.000 0.742 0.000) 0.742 4.582 ( 0.000 -0.873 0.000) 0.873 4.757 ( 0.000 -7.102 0.000) 7.102 5.562 ( 0.000 -1.454 0.000) 1.454 5.897 ( 0.000 -6.637 0.000) 6.637 6.148 ( -0.000 8.826 0.000) 8.826 6.494 ( 0.000 -0.645 0.000) 0.645 7.122 ( -0.000 1.634 0.000) 1.634 7.268 ( -0.000 7.234 0.000) 7.234 7.270 ( -0.000 3.074 0.000) 3.074 7.382 ( 0.000 -3.049 0.000) 3.049 7.490 ( 0.000 -4.577 0.000) 4.577 7.591 ( 0.000 -1.512 0.000) 1.512 7.748 ( 0.000 -7.724 0.000) 7.724 8.176 ( -0.000 4.087 0.000) 4.087 8.458 ( 0.000 -18.616 0.000) 18.616 8.796 ( -0.000 1.373 0.000) 1.373 9.174 ( -0.000 13.940 0.000) 13.940 9.328 ( 0.000 -4.720 0.000) 4.720 9.452 ( -0.000 1.536 0.000) 1.536 9.820 ( -0.000 0.591 0.000) 0.591 10.714 ( 0.000 -13.140 0.000) 13.140 10.805 ( 0.000 -4.243 0.000) 4.243 10.819 ( -0.000 4.059 0.000) 4.059 11.105 ( 0.000 -11.042 0.000) 11.042 11.112 ( -0.000 9.351 0.000) 9.351 11.400 ( 0.000 -6.044 0.000) 6.044 11.447 ( 0.000 -5.021 0.000) 5.021 11.661 ( 0.000 -4.219 0.000) 4.219 11.955 ( 0.000 -3.529 0.000) 3.529 12.032 ( 0.000 -6.613 0.000) 6.613 12.873 ( -0.000 2.783 0.000) 2.783 13.207 ( 0.000 -8.001 0.000) 8.001 13.919 ( -0.000 7.909 0.000) 7.909 14.250 ( 0.000 -1.564 0.000) 1.564 14.613 ( -0.000 0.710 0.000) 0.710 15.407 ( -0.000 12.235 0.000) 12.235 15.670 ( -0.000 6.295 0.000) 6.295 16.534 ( 0.000 -0.141 0.000) 0.141 16.629 ( -0.000 2.844 0.000) 2.844 16.697 ( -0.000 4.937 0.000) 4.937 16.943 ( -0.000 4.060 0.000) 4.060 18.379 ( -0.000 3.301 0.000) 3.301 18.490 ( -0.000 1.028 0.000) 1.028 19.004 ( -0.000 0.933 0.000) 0.933 19.271 ( -0.000 3.667 0.000) 3.667 19.428 ( 0.000 -5.498 0.000) 5.498 19.793 ( 0.000 -4.674 0.000) 4.674 19.861 ( 0.000 -4.332 0.000) 4.332 19.872 ( 0.000 -13.079 0.000) 13.079 20.824 ( 0.000 -4.144 0.000) 4.144 20.922 ( -0.000 1.361 0.000) 1.361 21.106 ( -0.000 1.413 0.000) 1.413 21.551 ( -0.000 4.955 0.000) 4.955 24.569 ( -0.000 0.770 0.000) 0.770 24.589 ( 0.000 -0.566 0.000) 0.566 25.283 ( -0.000 0.434 0.000) 0.434 25.432 ( 0.000 -1.454 0.000) 1.454 26.009 ( -0.000 9.912 0.000) 9.912 26.335 ( 0.000 -3.144 0.000) 3.144 26.968 ( 0.000 -2.907 0.000) 2.907 27.271 ( 0.000 -1.949 0.000) 1.949 27.816 ( -0.000 8.887 0.000) 8.887 28.186 ( 0.000 -18.969 0.000) 18.969 29.595 ( -0.000 0.145 0.000) 0.145 29.611 ( -0.000 2.489 0.000) 2.489 30.224 ( 0.000 -3.558 0.000) 3.558 30.383 ( -0.000 6.218 0.000) 6.218 30.443 ( -0.000 13.191 0.000) 13.191 30.573 ( 0.000 -8.785 0.000) 8.785 30.809 ( -0.000 2.673 0.000) 2.673 31.319 ( 0.000 -4.673 0.000) 4.673 31.502 ( -0.000 5.300 0.000) 5.300 31.593 ( -0.000 9.293 0.000) 9.293 32.691 ( -0.000 19.164 0.000) 19.164 34.143 ( 0.000 -38.968 0.000) 38.968 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 29.615 0.000 0.000) 29.615 2.136 ( 23.481 0.000 0.000) 23.481 2.656 ( 0.797 0.000 0.000) 0.797 2.880 ( 1.975 0.000 0.000) 1.975 2.934 ( 8.614 0.000 0.000) 8.614 3.155 ( 0.616 0.000 0.000) 0.616 3.229 ( -1.075 -0.000 0.000) 1.075 3.405 ( -18.338 -0.000 0.000) 18.338 3.584 ( -7.150 -0.000 0.000) 7.150 3.736 ( -0.185 -0.000 0.000) 0.185 3.839 ( 20.926 0.000 0.000) 20.926 4.002 ( 1.014 0.000 0.000) 1.014 4.170 ( -0.139 -0.000 0.000) 0.139 4.492 ( -3.650 -0.000 0.000) 3.650 4.598 ( 1.459 0.000 0.000) 1.459 4.622 ( -2.916 -0.000 0.000) 2.916 4.830 ( 3.151 0.000 0.000) 3.151 5.374 ( -5.917 -0.000 0.000) 5.917 5.738 ( -7.761 -0.000 0.000) 7.761 6.084 ( -3.579 -0.000 0.000) 3.579 6.833 ( 2.625 0.000 0.000) 2.625 6.925 ( 5.201 0.000 0.000) 5.201 6.933 ( 5.197 0.000 0.000) 5.197 7.324 ( -5.340 -0.000 0.000) 5.340 7.353 ( -8.231 -0.000 0.000) 8.231 7.465 ( -2.060 -0.000 0.000) 2.060 7.648 ( -6.930 -0.000 0.000) 6.930 7.765 ( -3.657 -0.000 0.000) 3.657 8.554 ( 20.196 0.000 0.000) 20.196 8.708 ( -11.047 -0.000 0.000) 11.047 8.903 ( -16.347 -0.000 0.000) 16.347 9.034 ( 6.805 0.000 0.000) 6.805 9.231 ( 4.885 0.000 0.000) 4.885 9.678 ( -0.657 -0.000 0.000) 0.657 9.973 ( 0.022 0.000 0.000) 0.022 10.509 ( 6.525 0.000 0.000) 6.525 10.806 ( 6.131 0.000 0.000) 6.131 10.921 ( -2.294 -0.000 0.000) 2.294 11.180 ( -14.531 -0.000 0.000) 14.531 11.240 ( -14.138 -0.000 0.000) 14.138 11.394 ( -10.901 -0.000 0.000) 10.901 11.480 ( 4.337 0.000 0.000) 4.337 11.584 ( -5.011 -0.000 0.000) 5.011 12.041 ( -9.185 -0.000 0.000) 9.185 12.073 ( -1.687 -0.000 0.000) 1.687 12.652 ( 0.268 0.000 0.000) 0.268 13.245 ( 1.514 0.000 0.000) 1.514 13.924 ( 1.729 0.000 0.000) 1.729 14.148 ( 8.694 0.000 0.000) 8.694 14.323 ( -7.930 -0.000 0.000) 7.930 15.707 ( 11.873 0.000 0.000) 11.873 15.759 ( 15.872 0.000 0.000) 15.872 16.379 ( -0.236 -0.000 0.000) 0.236 16.479 ( 3.070 0.000 0.000) 3.070 16.886 ( 3.483 0.000 0.000) 3.483 16.983 ( 5.501 0.000 0.000) 5.501 18.254 ( 2.367 0.000 0.000) 2.367 18.581 ( 3.234 0.000 0.000) 3.234 18.756 ( 5.240 0.000 0.000) 5.240 19.064 ( -3.225 -0.000 0.000) 3.225 19.620 ( -8.064 -0.000 0.000) 8.064 19.869 ( -4.881 -0.000 0.000) 4.881 19.884 ( -4.760 -0.000 0.000) 4.760 20.203 ( -9.920 -0.000 0.000) 9.920 20.702 ( -0.167 -0.000 0.000) 0.167 20.839 ( -0.834 -0.000 0.000) 0.834 21.092 ( -3.200 -0.000 0.000) 3.200 21.635 ( 6.483 0.000 0.000) 6.483 24.576 ( -0.046 -0.000 0.000) 0.046 24.591 ( 0.142 0.000 0.000) 0.142 25.102 ( 4.084 0.000 0.000) 4.084 25.464 ( -3.890 -0.000 0.000) 3.890 25.469 ( 4.824 0.000 0.000) 4.824 26.570 ( -1.692 -0.000 0.000) 1.692 27.008 ( -4.476 -0.000 0.000) 4.476 27.336 ( 2.248 0.000 0.000) 2.248 27.354 ( 0.241 0.000 0.000) 0.241 28.920 ( -15.456 -0.000 0.000) 15.456 29.280 ( 1.356 0.000 0.000) 1.356 29.636 ( 3.582 0.000 0.000) 3.582 29.968 ( 1.610 0.000 0.000) 1.610 30.144 ( 2.726 0.000 0.000) 2.726 30.643 ( 4.195 0.000 0.000) 4.195 30.944 ( 0.224 0.000 0.000) 0.224 31.131 ( -2.178 -0.000 0.000) 2.178 31.284 ( 7.037 0.000 0.000) 7.037 31.350 ( 7.127 0.000 0.000) 7.127 31.710 ( 0.611 0.000 0.000) 0.611 32.202 ( 15.912 0.000 0.000) 15.912 34.582 ( -35.590 -0.000 0.000) 35.590 ======================= Grid point 32 (21/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 24.131 -1.721 0.000) 24.193 2.419 ( 16.510 -8.672 0.000) 18.649 2.700 ( 0.326 -3.966 0.000) 3.980 2.829 ( -0.151 5.640 0.000) 5.642 2.950 ( -4.443 0.262 0.000) 4.451 3.167 ( 0.478 -0.143 0.000) 0.499 3.211 ( -16.792 0.916 0.000) 16.817 3.245 ( -2.834 -3.512 0.000) 4.512 3.455 ( -3.664 6.333 0.000) 7.316 3.813 ( 1.573 -6.333 0.000) 6.526 4.025 ( 3.464 -1.789 0.000) 3.899 4.116 ( 21.062 -4.676 0.000) 21.575 4.170 ( -1.066 -0.760 0.000) 1.309 4.472 ( -3.844 -1.879 0.000) 4.278 4.572 ( 0.654 4.443 0.000) 4.491 4.643 ( -1.880 -4.207 0.000) 4.608 4.889 ( 1.911 -3.940 0.000) 4.379 5.279 ( -2.477 6.248 0.000) 6.721 5.675 ( -5.382 -1.181 0.000) 5.510 6.089 ( -2.957 -4.126 0.000) 5.076 6.820 ( 2.202 3.822 0.000) 4.411 7.007 ( 4.754 -3.655 0.000) 5.996 7.024 ( 4.960 -4.806 0.000) 6.907 7.277 ( -3.567 -0.222 0.000) 3.574 7.284 ( -6.488 -0.849 0.000) 6.543 7.446 ( -2.017 0.495 0.000) 2.077 7.580 ( -4.902 0.785 0.000) 4.964 7.746 ( -2.586 -1.521 0.000) 3.000 8.506 ( -1.789 7.816 0.000) 8.018 8.605 ( -13.575 15.012 0.000) 20.239 8.837 ( 10.448 -6.709 0.000) 12.417 9.068 ( 3.155 0.225 0.000) 3.163 9.342 ( 6.238 -4.515 0.000) 7.701 9.601 ( -2.916 4.969 0.000) 5.762 10.076 ( 0.894 -9.931 0.000) 9.971 10.571 ( 3.846 0.959 0.000) 3.964 10.756 ( -0.139 16.406 0.000) 16.406 10.951 ( 2.101 -11.094 0.000) 11.291 11.018 ( -11.818 3.201 0.000) 12.244 11.101 ( -8.287 2.100 0.000) 8.549 11.311 ( -5.021 0.335 0.000) 5.032 11.512 ( -3.671 2.823 0.000) 4.631 11.541 ( 4.902 -1.688 0.000) 5.184 11.921 ( -9.000 2.839 0.000) 9.438 12.039 ( -2.370 2.274 0.000) 3.284 12.672 ( -0.316 -2.292 0.000) 2.314 13.221 ( 1.025 4.175 0.000) 4.299 14.073 ( 0.835 -14.205 0.000) 14.230 14.190 ( 6.007 3.126 0.000) 6.772 14.256 ( -6.215 -0.412 0.000) 6.228 15.732 ( 5.174 4.650 0.000) 6.957 15.905 ( 13.821 2.803 0.000) 14.103 16.386 ( 0.101 -1.183 0.000) 1.187 16.550 ( 2.369 -4.627 0.000) 5.198 16.891 ( 1.908 2.547 0.000) 3.182 17.033 ( 4.236 -0.181 0.000) 4.239 18.287 ( 1.471 -1.520 0.000) 2.115 18.602 ( 1.989 0.721 0.000) 2.116 18.867 ( 5.240 -6.307 0.000) 8.200 19.061 ( -3.255 -3.792 0.000) 4.998 19.537 ( -3.810 2.462 0.000) 4.536 19.812 ( -3.627 1.448 0.000) 3.906 19.828 ( -3.492 1.661 0.000) 3.866 19.965 ( -8.182 14.055 0.000) 16.263 20.796 ( -1.128 -8.559 0.000) 8.633 20.864 ( 0.421 -3.181 0.000) 3.209 21.031 ( -2.146 3.702 0.000) 4.279 21.677 ( 4.328 1.257 0.000) 4.507 24.567 ( -0.050 0.609 0.000) 0.611 24.600 ( 0.113 -0.542 0.000) 0.554 25.250 ( 4.071 -10.365 0.000) 11.136 25.419 ( -0.438 0.746 0.000) 0.865 25.532 ( -1.352 -3.855 0.000) 4.085 26.521 ( -0.934 3.721 0.000) 3.836 27.003 ( -3.518 -3.840 0.000) 5.208 27.332 ( 1.980 3.286 0.000) 3.837 27.358 ( -0.049 -0.705 0.000) 0.707 28.689 ( -9.081 10.372 0.000) 13.785 29.336 ( 0.169 -4.551 0.000) 4.554 29.676 ( 2.224 -0.726 0.000) 2.340 30.016 ( 1.125 -3.951 0.000) 4.108 30.116 ( 2.345 4.438 0.000) 5.019 30.743 ( 2.821 -5.714 0.000) 6.373 30.909 ( -0.144 4.039 0.000) 4.042 31.123 ( -1.713 -1.221 0.000) 2.103 31.254 ( 3.529 8.648 0.000) 9.341 31.421 ( 4.623 -1.399 0.000) 4.830 31.794 ( 3.225 -6.704 0.000) 7.440 32.388 ( 15.143 -3.252 0.000) 15.488 34.165 ( -29.928 9.350 0.000) 31.354 ======================= Grid point 33 (22/100) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 9.562 2.305 0.000) 9.836 2.696 ( 5.473 -1.167 0.000) 5.596 2.726 ( 2.690 -1.385 0.000) 3.025 2.803 ( -1.377 -8.549 0.000) 8.659 2.909 ( 0.809 0.434 0.000) 0.918 3.053 ( -11.689 1.115 0.000) 11.742 3.146 ( 0.275 3.844 0.000) 3.854 3.278 ( -2.683 -3.383 0.000) 4.318 3.336 ( -0.929 4.008 0.000) 4.114 3.965 ( 2.739 -8.437 0.000) 8.870 4.102 ( 2.833 -3.560 0.000) 4.550 4.175 ( -2.728 -2.050 0.000) 3.413 4.372 ( 9.487 -5.330 0.000) 10.882 4.457 ( 0.087 8.941 0.000) 8.941 4.477 ( -3.120 -2.435 0.000) 3.958 4.669 ( -1.030 0.646 0.000) 1.216 5.032 ( 1.858 -8.657 0.000) 8.855 5.127 ( 1.791 8.178 0.000) 8.372 5.677 ( -3.328 -3.554 0.000) 4.869 6.162 ( -1.890 -7.155 0.000) 7.401 6.743 ( 1.533 7.647 0.000) 7.799 7.134 ( 4.793 -5.128 0.000) 7.019 7.188 ( 4.511 -8.106 0.000) 9.276 7.259 ( -3.599 -1.366 0.000) 3.850 7.267 ( -3.042 -2.739 0.000) 4.093 7.400 ( -1.279 2.868 0.000) 3.140 7.535 ( -2.486 -0.202 0.000) 2.495 7.774 ( 0.640 -3.415 0.000) 3.475 8.191 ( -10.672 17.621 0.000) 20.600 8.370 ( -1.489 5.746 0.000) 5.936 9.022 ( 8.417 -3.674 0.000) 9.184 9.116 ( -0.521 -3.232 0.000) 3.273 9.369 ( 3.036 7.350 0.000) 7.952 9.580 ( -1.679 -5.593 0.000) 5.839 10.276 ( 2.421 -8.272 0.000) 8.619 10.426 ( -0.655 17.533 0.000) 17.546 10.536 ( 0.243 4.345 0.000) 4.352 10.865 ( -6.302 2.944 0.000) 6.956 10.991 ( -4.127 1.899 0.000) 4.543 11.207 ( 2.471 -12.794 0.000) 13.031 11.287 ( 0.234 -0.155 0.000) 0.281 11.428 ( -1.434 3.768 0.000) 4.032 11.620 ( 6.945 0.740 0.000) 6.984 11.792 ( -9.273 0.224 0.000) 9.276 11.952 ( -2.814 4.229 0.000) 5.080 12.732 ( -0.365 -5.558 0.000) 5.570 13.133 ( -0.295 6.142 0.000) 6.149 14.172 ( 3.137 4.062 0.000) 5.132 14.216 ( -3.621 -0.641 0.000) 3.677 14.356 ( 0.103 -16.095 0.000) 16.095 15.685 ( 3.073 4.510 0.000) 5.457 15.915 ( 5.283 6.881 0.000) 8.675 16.422 ( 0.350 -2.606 0.000) 2.630 16.662 ( 1.808 -5.295 0.000) 5.595 16.844 ( 0.229 3.952 0.000) 3.959 17.063 ( 2.027 0.560 0.000) 2.103 18.329 ( 0.440 -2.130 0.000) 2.175 18.595 ( 0.685 1.552 0.000) 1.696 19.035 ( 1.810 -7.268 0.000) 7.490 19.150 ( 0.685 -8.863 0.000) 8.889 19.467 ( 0.827 3.863 0.000) 3.950 19.631 ( -7.110 14.597 0.000) 16.236 19.761 ( -1.866 0.868 0.000) 2.059 19.766 ( -1.702 2.127 0.000) 2.724 20.913 ( -1.081 -5.718 0.000) 5.819 20.931 ( -0.269 4.039 0.000) 4.048 20.950 ( 0.124 -3.902 0.000) 3.904 21.681 ( 2.053 1.857 0.000) 2.768 24.560 ( -0.029 0.137 0.000) 0.140 24.606 ( 0.053 -0.051 0.000) 0.073 25.378 ( 0.791 -0.751 0.000) 1.091 25.423 ( 1.570 2.046 0.000) 2.579 25.688 ( -2.481 -18.740 0.000) 18.903 26.435 ( 0.005 5.707 0.000) 5.707 27.061 ( -1.546 -5.456 0.000) 5.671 27.252 ( 0.988 7.688 0.000) 7.751 27.400 ( -0.411 -5.279 0.000) 5.295 28.425 ( -3.061 12.924 0.000) 13.282 29.427 ( -0.062 -5.798 0.000) 5.798 29.695 ( 0.836 0.296 0.000) 0.887 30.082 ( 1.345 1.155 0.000) 1.773 30.119 ( 0.443 -6.956 0.000) 6.970 30.804 ( -0.156 7.124 0.000) 7.125 30.849 ( 1.213 -2.878 0.000) 3.123 31.099 ( 1.228 11.203 0.000) 11.271 31.139 ( -1.096 -2.164 0.000) 2.425 31.488 ( 1.780 -2.609 0.000) 3.159 31.926 ( 4.564 -1.871 0.000) 4.933 32.625 ( 8.224 -11.996 0.000) 14.544 33.717 ( -16.997 14.577 0.000) 22.392 ======================= Grid point 34 (23/100) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -0.000 0.243 0.000) 0.243 2.610 ( -0.000 5.070 0.000) 5.070 2.855 ( -0.000 8.182 0.000) 8.182 2.864 ( 0.000 -6.927 0.000) 6.927 2.965 ( 0.000 -4.196 0.000) 4.196 3.028 ( 0.000 -5.535 0.000) 5.535 3.039 ( -0.000 4.534 0.000) 4.534 3.304 ( 0.000 -0.052 0.000) 0.052 3.312 ( 0.000 -2.064 0.000) 2.064 4.119 ( 0.000 -4.843 0.000) 4.843 4.154 ( -0.000 0.532 0.000) 0.532 4.213 ( 0.000 -4.355 0.000) 4.355 4.290 ( -0.000 7.575 0.000) 7.575 4.486 ( 0.000 -3.941 0.000) 3.941 4.503 ( 0.000 -2.512 0.000) 2.512 4.610 ( -0.000 4.605 0.000) 4.605 4.883 ( -0.000 14.522 0.000) 14.522 5.318 ( 0.000 -13.516 0.000) 13.516 5.721 ( 0.000 -3.969 0.000) 3.969 6.291 ( 0.000 -8.566 0.000) 8.566 6.580 ( -0.000 12.267 0.000) 12.267 7.221 ( -0.000 1.953 0.000) 1.953 7.265 ( 0.000 -4.351 0.000) 4.351 7.307 ( 0.000 -3.267 0.000) 3.267 7.345 ( 0.000 -6.204 0.000) 6.204 7.346 ( -0.000 1.877 0.000) 1.877 7.550 ( 0.000 -3.207 0.000) 3.207 7.829 ( -0.000 15.370 0.000) 15.370 7.910 ( 0.000 -10.677 0.000) 10.677 8.282 ( -0.000 3.758 0.000) 3.758 9.035 ( -0.000 8.006 0.000) 8.006 9.195 ( 0.000 -7.340 0.000) 7.340 9.307 ( -0.000 1.378 0.000) 1.378 9.614 ( -0.000 2.013 0.000) 2.013 10.065 ( -0.000 16.164 0.000) 16.164 10.479 ( -0.000 1.031 0.000) 1.031 10.520 ( 0.000 -11.761 0.000) 11.761 10.829 ( 0.000 -2.812 0.000) 2.812 10.933 ( -0.000 2.657 0.000) 2.657 11.296 ( 0.000 -0.088 0.000) 0.088 11.362 ( -0.000 2.830 0.000) 2.830 11.423 ( 0.000 -10.125 0.000) 10.125 11.565 ( -0.000 8.893 0.000) 8.893 11.803 ( 0.000 -5.290 0.000) 5.290 11.884 ( -0.000 0.299 0.000) 0.299 12.865 ( 0.000 -9.759 0.000) 9.759 13.020 ( -0.000 5.973 0.000) 5.973 14.116 ( -0.000 4.341 0.000) 4.341 14.210 ( 0.000 -0.844 0.000) 0.844 14.567 ( 0.000 -7.447 0.000) 7.447 15.669 ( 0.000 -1.077 0.000) 1.077 15.790 ( -0.000 9.812 0.000) 9.812 16.472 ( 0.000 -2.742 0.000) 2.742 16.748 ( 0.000 -2.835 0.000) 2.835 16.765 ( -0.000 4.685 0.000) 4.685 17.051 ( -0.000 1.988 0.000) 1.988 18.368 ( 0.000 -2.197 0.000) 2.197 18.565 ( -0.000 2.292 0.000) 2.292 19.115 ( -0.000 0.138 0.000) 0.138 19.337 ( 0.000 -6.990 0.000) 6.990 19.365 ( -0.000 6.979 0.000) 6.979 19.457 ( 0.000 -3.213 0.000) 3.213 19.729 ( -0.000 0.867 0.000) 0.867 19.756 ( 0.000 -1.261 0.000) 1.261 20.841 ( -0.000 4.431 0.000) 4.431 20.964 ( 0.000 -0.949 0.000) 0.949 21.043 ( 0.000 -4.893 0.000) 4.893 21.658 ( -0.000 2.026 0.000) 2.026 24.562 ( 0.000 -0.443 0.000) 0.443 24.602 ( -0.000 0.551 0.000) 0.551 25.363 ( -0.000 3.994 0.000) 3.994 25.394 ( 0.000 -0.790 0.000) 0.790 26.005 ( 0.000 -17.051 0.000) 17.051 26.322 ( -0.000 7.634 0.000) 7.634 27.106 ( -0.000 8.934 0.000) 8.934 27.148 ( 0.000 -5.157 0.000) 5.157 27.556 ( 0.000 -13.514 0.000) 13.514 28.190 ( -0.000 12.670 0.000) 12.670 29.521 ( 0.000 -4.779 0.000) 4.779 29.684 ( -0.000 1.437 0.000) 1.437 30.103 ( 0.000 -2.509 0.000) 2.509 30.258 ( 0.000 -8.784 0.000) 8.784 30.658 ( -0.000 8.916 0.000) 8.916 30.876 ( -0.000 0.506 0.000) 0.506 30.899 ( -0.000 12.649 0.000) 12.649 31.181 ( 0.000 -3.227 0.000) 3.227 31.539 ( 0.000 -2.112 0.000) 2.112 31.905 ( -0.000 6.742 0.000) 6.742 32.989 ( 0.000 -25.361 0.000) 25.361 33.352 ( -0.000 17.918 0.000) 17.918 ======================= Grid point 42 (24/100) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 9.928 0.000 0.000) 9.928 2.498 ( 24.776 0.000 0.000) 24.776 2.671 ( 0.231 0.000 0.000) 0.231 2.885 ( -0.445 -0.000 0.000) 0.445 2.922 ( -2.828 -0.000 0.000) 2.828 3.011 ( -20.853 -0.000 0.000) 20.853 3.152 ( -0.596 -0.000 0.000) 0.596 3.195 ( -1.555 -0.000 0.000) 1.555 3.489 ( -2.363 -0.000 0.000) 2.363 3.761 ( 1.402 0.000 0.000) 1.402 4.021 ( 0.725 0.000 0.000) 0.725 4.150 ( -1.285 -0.000 0.000) 1.285 4.277 ( 14.551 0.000 0.000) 14.551 4.426 ( -2.203 -0.000 0.000) 2.203 4.571 ( -1.475 -0.000 0.000) 1.475 4.614 ( 0.304 0.000 0.000) 0.304 4.886 ( 2.067 0.000 0.000) 2.067 5.316 ( -0.814 -0.000 0.000) 0.814 5.620 ( -3.490 -0.000 0.000) 3.490 6.032 ( -1.431 -0.000 0.000) 1.431 6.860 ( 0.328 0.000 0.000) 0.328 7.009 ( 2.585 0.000 0.000) 2.585 7.019 ( 3.085 0.000 0.000) 3.085 7.221 ( -4.401 -0.000 0.000) 4.401 7.246 ( -2.191 -0.000 0.000) 2.191 7.438 ( -0.653 -0.000 0.000) 0.653 7.550 ( -2.669 -0.000 0.000) 2.669 7.706 ( -1.824 -0.000 0.000) 1.824 8.541 ( -4.758 -0.000 0.000) 4.758 8.642 ( -7.989 -0.000 0.000) 7.989 8.887 ( 11.053 0.000 0.000) 11.053 9.110 ( 0.849 0.000 0.000) 0.849 9.311 ( 2.480 0.000 0.000) 2.480 9.669 ( -0.243 -0.000 0.000) 0.243 9.962 ( -0.634 -0.000 0.000) 0.634 10.623 ( 4.386 0.000 0.000) 4.386 10.845 ( -1.624 -0.000 0.000) 1.624 10.914 ( 0.501 0.000 0.000) 0.501 10.949 ( -7.086 -0.000 0.000) 7.086 11.047 ( -5.029 -0.000 0.000) 5.029 11.277 ( -1.433 -0.000 0.000) 1.433 11.504 ( -2.429 -0.000 0.000) 2.429 11.572 ( 4.269 0.000 0.000) 4.269 11.869 ( -6.762 -0.000 0.000) 6.762 12.050 ( -0.620 -0.000 0.000) 0.620 12.654 ( 0.032 0.000 0.000) 0.032 13.270 ( 0.771 0.000 0.000) 0.771 13.949 ( 0.720 0.000 0.000) 0.720 14.205 ( -3.388 -0.000 0.000) 3.388 14.263 ( 2.936 0.000 0.000) 2.936 15.811 ( 2.540 0.000 0.000) 2.540 16.046 ( 7.999 0.000 0.000) 7.999 16.376 ( -0.079 -0.000 0.000) 0.079 16.523 ( 1.201 0.000 0.000) 1.201 16.930 ( 1.062 0.000 0.000) 1.062 17.064 ( 2.268 0.000 0.000) 2.268 18.286 ( 0.848 0.000 0.000) 0.848 18.626 ( 1.152 0.000 0.000) 1.152 18.867 ( 5.550 0.000 0.000) 5.550 18.983 ( -4.741 -0.000 0.000) 4.741 19.529 ( -1.677 -0.000 0.000) 1.677 19.798 ( -1.959 -0.000 0.000) 1.959 19.814 ( -1.967 -0.000 0.000) 1.967 20.039 ( -5.233 -0.000 0.000) 5.233 20.699 ( -0.069 -0.000 0.000) 0.069 20.839 ( 0.328 0.000 0.000) 0.328 21.047 ( -1.187 -0.000 0.000) 1.187 21.722 ( 2.211 0.000 0.000) 2.211 24.575 ( -0.017 -0.000 0.000) 0.017 24.593 ( 0.056 0.000 0.000) 0.056 25.178 ( 2.863 0.000 0.000) 2.863 25.387 ( -2.963 -0.000 0.000) 2.963 25.541 ( 2.058 0.000 0.000) 2.058 26.544 ( -0.760 -0.000 0.000) 0.760 26.938 ( -2.072 -0.000 0.000) 2.072 27.359 ( 0.216 0.000 0.000) 0.216 27.374 ( 1.251 0.000 0.000) 1.251 28.697 ( -6.206 -0.000 0.000) 6.206 29.300 ( 0.571 0.000 0.000) 0.571 29.689 ( 1.465 0.000 0.000) 1.465 29.991 ( 0.667 0.000 0.000) 0.667 30.185 ( 1.149 0.000 0.000) 1.149 30.701 ( 1.518 0.000 0.000) 1.518 30.944 ( -0.074 -0.000 0.000) 0.074 31.099 ( -0.876 -0.000 0.000) 0.876 31.379 ( 2.423 0.000 0.000) 2.423 31.448 ( 2.562 0.000 0.000) 2.562 31.718 ( 0.230 0.000 0.000) 0.230 32.523 ( 12.895 0.000 0.000) 12.895 33.984 ( -20.222 -0.000 0.000) 20.222 ======================= Grid point 43 (25/100) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -0.000 7.690 0.000) 7.690 2.605 ( 0.000 -8.538 0.000) 8.538 2.694 ( 0.000 -2.651 0.000) 2.651 2.821 ( -0.000 5.974 0.000) 5.974 2.888 ( 0.000 -3.396 0.000) 3.396 2.953 ( 0.000 -2.844 0.000) 2.844 3.183 ( -0.000 0.638 0.000) 0.638 3.194 ( 0.000 -4.158 0.000) 4.158 3.418 ( -0.000 5.491 0.000) 5.491 3.839 ( 0.000 -7.017 0.000) 7.017 4.050 ( 0.000 -2.953 0.000) 2.953 4.145 ( 0.000 -0.271 0.000) 0.271 4.370 ( 0.000 -2.199 0.000) 2.199 4.427 ( 0.000 -1.376 0.000) 1.376 4.577 ( -0.000 4.550 0.000) 4.550 4.613 ( 0.000 -4.754 0.000) 4.754 4.924 ( 0.000 -3.577 0.000) 3.577 5.263 ( -0.000 5.620 0.000) 5.620 5.617 ( 0.000 -1.736 0.000) 1.736 6.058 ( 0.000 -3.816 0.000) 3.816 6.836 ( -0.000 2.997 0.000) 2.997 7.062 ( 0.000 -4.526 0.000) 4.526 7.085 ( 0.000 -5.600 0.000) 5.600 7.212 ( 0.000 -1.662 0.000) 1.662 7.235 ( -0.000 0.002 0.000) 0.002 7.428 ( -0.000 1.041 0.000) 1.041 7.530 ( -0.000 0.638 0.000) 0.638 7.717 ( 0.000 -2.356 0.000) 2.356 8.452 ( -0.000 15.725 0.000) 15.725 8.460 ( -0.000 5.508 0.000) 5.508 9.006 ( 0.000 -5.708 0.000) 5.708 9.073 ( -0.000 1.907 0.000) 1.907 9.426 ( 0.000 -9.067 0.000) 9.067 9.553 ( -0.000 10.043 0.000) 10.043 10.084 ( 0.000 -11.309 0.000) 11.309 10.615 ( -0.000 3.607 0.000) 3.607 10.763 ( -0.000 16.528 0.000) 16.528 10.886 ( -0.000 2.863 0.000) 2.863 10.939 ( 0.000 -8.559 0.000) 8.559 11.031 ( 0.000 -3.153 0.000) 3.153 11.278 ( 0.000 -0.697 0.000) 0.697 11.472 ( -0.000 2.220 0.000) 2.220 11.628 ( 0.000 -3.503 0.000) 3.503 11.787 ( -0.000 4.683 0.000) 4.683 12.016 ( -0.000 3.477 0.000) 3.477 12.668 ( 0.000 -1.847 0.000) 1.847 13.233 ( -0.000 4.586 0.000) 4.586 14.082 ( 0.000 -13.758 0.000) 13.758 14.190 ( 0.000 -0.292 0.000) 0.292 14.250 ( -0.000 2.981 0.000) 2.981 15.783 ( -0.000 4.353 0.000) 4.353 16.047 ( -0.000 4.389 0.000) 4.389 16.387 ( 0.000 -1.451 0.000) 1.451 16.575 ( 0.000 -4.826 0.000) 4.826 16.909 ( -0.000 2.884 0.000) 2.884 17.078 ( 0.000 -0.118 0.000) 0.118 18.302 ( 0.000 -1.288 0.000) 1.288 18.622 ( -0.000 1.022 0.000) 1.022 18.947 ( 0.000 -4.407 0.000) 4.407 19.002 ( 0.000 -6.397 0.000) 6.397 19.509 ( -0.000 1.376 0.000) 1.376 19.774 ( -0.000 1.413 0.000) 1.413 19.791 ( -0.000 1.505 0.000) 1.505 19.869 ( -0.000 14.398 0.000) 14.398 20.784 ( 0.000 -7.847 0.000) 7.847 20.872 ( 0.000 -3.458 0.000) 3.458 21.009 ( -0.000 3.520 0.000) 3.520 21.721 ( -0.000 1.333 0.000) 1.333 24.567 ( -0.000 0.621 0.000) 0.621 24.601 ( 0.000 -0.545 0.000) 0.545 25.319 ( 0.000 -13.263 0.000) 13.263 25.374 ( 0.000 -0.328 0.000) 0.328 25.532 ( -0.000 1.562 0.000) 1.562 26.511 ( -0.000 3.230 0.000) 3.230 26.966 ( 0.000 -4.087 0.000) 4.087 27.352 ( -0.000 2.416 0.000) 2.416 27.360 ( -0.000 0.697 0.000) 0.697 28.592 ( -0.000 8.148 0.000) 8.148 29.339 ( 0.000 -3.972 0.000) 3.972 29.700 ( 0.000 -0.264 0.000) 0.264 30.028 ( 0.000 -3.823 0.000) 3.823 30.141 ( -0.000 4.257 0.000) 4.257 30.771 ( 0.000 -5.736 0.000) 5.736 30.906 ( -0.000 4.290 0.000) 4.290 31.105 ( 0.000 -1.141 0.000) 1.141 31.288 ( -0.000 9.540 0.000) 9.540 31.468 ( 0.000 -0.958 0.000) 0.958 31.827 ( 0.000 -9.419 0.000) 9.419 32.591 ( 0.000 -0.537 0.000) 0.537 33.813 ( -0.000 7.515 0.000) 7.515 ======================= Grid point 89 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 0.000 39.362) 39.362 0.797 ( 0.000 0.000 40.462) 40.462 1.378 ( 0.000 0.000 71.500) 71.500 2.497 ( 0.000 0.000 -5.431) 5.431 2.625 ( 0.000 0.000 -6.328) 6.328 3.208 ( 0.000 0.000 11.031) 11.031 3.238 ( 0.000 0.000 8.416) 8.416 3.903 ( 0.000 0.000 0.170) 0.170 3.934 ( 0.000 0.000 -2.573) 2.573 3.938 ( 0.000 0.000 -3.112) 3.112 4.012 ( 0.000 0.000 -1.007) 1.007 4.037 ( 0.000 0.000 1.365) 1.365 4.283 ( 0.000 0.000 -3.349) 3.349 4.438 ( 0.000 0.000 0.907) 0.907 4.479 ( 0.000 0.000 0.004) 0.004 4.526 ( 0.000 0.000 0.547) 0.547 4.673 ( 0.000 0.000 -1.741) 1.741 5.607 ( 0.000 0.000 -26.797) 26.797 6.208 ( 0.000 0.000 -5.991) 5.991 6.245 ( 0.000 0.000 3.110) 3.110 6.399 ( 0.000 0.000 -15.671) 15.671 6.537 ( 0.000 0.000 10.239) 10.239 6.554 ( 0.000 0.000 -6.437) 6.437 6.905 ( 0.000 0.000 -4.190) 4.190 7.332 ( 0.000 0.000 -14.118) 14.118 7.425 ( 0.000 0.000 15.782) 15.782 7.946 ( 0.000 0.000 6.982) 6.982 7.983 ( 0.000 0.000 -6.378) 6.378 8.077 ( 0.000 0.000 23.018) 23.018 8.540 ( 0.000 0.000 9.068) 9.068 8.563 ( 0.000 0.000 2.761) 2.761 8.927 ( 0.000 0.000 -19.113) 19.113 8.956 ( 0.000 0.000 -6.315) 6.315 9.440 ( 0.000 0.000 -26.355) 26.355 10.705 ( 0.000 0.000 33.714) 33.714 10.754 ( 0.000 0.000 23.725) 23.725 11.373 ( 0.000 0.000 3.709) 3.709 11.530 ( 0.000 0.000 4.232) 4.232 11.689 ( 0.000 0.000 -2.838) 2.838 11.726 ( 0.000 0.000 0.579) 0.579 11.769 ( 0.000 0.000 -0.070) 0.070 12.046 ( 0.000 0.000 -3.519) 3.519 12.089 ( 0.000 0.000 -7.515) 7.515 12.363 ( 0.000 0.000 6.210) 6.210 12.372 ( 0.000 0.000 -10.793) 10.793 12.676 ( 0.000 0.000 1.797) 1.797 13.041 ( 0.000 0.000 -17.220) 17.220 13.188 ( 0.000 0.000 -19.124) 19.124 13.986 ( 0.000 0.000 15.119) 15.119 14.509 ( 0.000 0.000 4.541) 4.541 14.726 ( 0.000 0.000 3.643) 3.643 15.370 ( 0.000 0.000 -9.262) 9.262 16.320 ( 0.000 0.000 -0.262) 0.262 16.374 ( 0.000 0.000 -1.508) 1.508 16.634 ( 0.000 0.000 -0.113) 0.113 16.656 ( 0.000 0.000 -0.637) 0.637 18.139 ( 0.000 0.000 2.003) 2.003 18.380 ( 0.000 0.000 -1.895) 1.895 18.763 ( 0.000 0.000 15.918) 15.918 19.213 ( 0.000 0.000 9.157) 9.157 20.097 ( 0.000 0.000 -0.466) 0.466 20.100 ( 0.000 0.000 -0.249) 0.249 20.302 ( 0.000 0.000 -8.076) 8.076 20.349 ( 0.000 0.000 -9.482) 9.482 20.830 ( 0.000 0.000 1.078) 1.078 21.019 ( 0.000 0.000 -2.271) 2.271 21.162 ( 0.000 0.000 0.092) 0.092 21.256 ( 0.000 0.000 -0.545) 0.545 24.579 ( 0.000 0.000 0.023) 0.023 24.581 ( 0.000 0.000 -0.011) 0.011 25.006 ( 0.000 0.000 2.457) 2.457 25.243 ( 0.000 0.000 -1.409) 1.409 25.520 ( 0.000 0.000 0.117) 0.117 25.551 ( 0.000 0.000 -0.382) 0.382 27.168 ( 0.000 0.000 1.182) 1.182 27.261 ( 0.000 0.000 -0.426) 0.426 27.364 ( 0.000 0.000 0.744) 0.744 27.433 ( 0.000 0.000 -0.407) 0.407 29.274 ( 0.000 0.000 5.430) 5.430 29.549 ( 0.000 0.000 4.792) 4.792 29.842 ( 0.000 0.000 -3.359) 3.359 30.169 ( 0.000 0.000 -5.105) 5.105 30.356 ( 0.000 0.000 -3.475) 3.475 30.565 ( 0.000 0.000 -9.263) 9.263 30.903 ( 0.000 0.000 6.418) 6.418 30.946 ( 0.000 0.000 3.448) 3.448 31.688 ( 0.000 0.000 1.221) 1.221 31.781 ( 0.000 0.000 -0.299) 0.299 35.762 ( 0.000 0.000 1.906) 1.906 36.000 ( 0.000 0.000 -1.883) 1.883 ======================= Grid point 90 (27/100) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 10.796 -18.722 27.547) 35.013 1.051 ( 11.716 -22.506 25.850) 36.221 1.872 ( 19.376 -34.519 50.684) 64.311 2.509 ( 3.581 0.871 -4.560) 5.863 2.690 ( -0.086 -7.264 -5.946) 9.387 3.219 ( -0.531 -1.446 10.124) 10.241 3.264 ( 1.798 -1.870 7.612) 8.042 3.763 ( -0.113 15.197 -0.904) 15.225 3.770 ( -2.926 13.115 -0.420) 13.444 3.946 ( 0.428 -1.139 -2.720) 2.980 3.954 ( -0.438 -0.605 -2.638) 2.741 4.168 ( -9.450 -5.418 -0.257) 10.896 4.292 ( -8.922 2.655 -2.279) 9.584 4.366 ( 6.729 4.373 0.564) 8.045 4.446 ( 7.119 1.211 -1.603) 7.397 4.594 ( 0.543 -3.915 1.270) 4.151 4.784 ( 0.073 -8.653 -4.479) 9.744 5.541 ( -3.360 4.945 -24.204) 24.932 6.107 ( -5.763 6.008 -3.608) 9.073 6.304 ( 2.198 5.922 -14.230) 15.569 6.399 ( 0.253 -4.530 13.614) 14.351 6.679 ( 0.819 -11.576 -9.358) 14.908 6.950 ( -0.292 -5.455 -1.430) 5.647 7.222 ( 19.419 -26.344 -41.575) 52.911 7.318 ( 1.741 0.088 -8.057) 8.244 7.444 ( 4.200 -0.155 6.932) 8.107 7.911 ( 0.511 0.191 -2.204) 2.270 8.010 ( -1.599 -1.141 6.339) 6.636 8.046 ( -0.462 2.110 18.186) 18.314 8.461 ( -7.155 -0.806 1.983) 7.468 8.665 ( 11.099 -0.589 1.898) 11.276 8.935 ( -0.320 2.007 -6.279) 6.599 8.976 ( 0.868 -5.137 -18.786) 19.495 9.505 ( 2.195 -4.970 -25.162) 25.742 10.569 ( -5.654 18.756 34.350) 39.544 10.793 ( 1.482 -2.474 22.932) 23.112 11.045 ( -6.807 17.066 21.151) 28.017 11.250 ( -10.218 18.672 0.677) 21.296 11.597 ( -7.427 2.203 -0.116) 7.747 11.668 ( -10.965 1.015 4.484) 11.890 11.715 ( -1.847 2.910 -2.354) 4.174 11.980 ( -5.788 6.610 2.578) 9.156 12.061 ( 0.677 4.861 -2.931) 5.717 12.092 ( -1.541 17.774 10.592) 20.748 12.289 ( -1.598 7.034 0.844) 7.262 12.627 ( -2.542 -5.372 -7.168) 9.311 13.102 ( -4.244 -9.452 -17.741) 20.545 13.237 ( 9.975 0.762 -19.866) 22.242 14.173 ( -0.300 -18.239 14.025) 23.010 14.536 ( 9.793 2.485 7.320) 12.477 14.816 ( 2.411 -8.029 2.386) 8.716 15.413 ( 0.882 -1.599 -5.296) 5.602 16.361 ( 0.214 -2.610 -0.512) 2.668 16.418 ( -0.806 -4.972 -1.711) 5.320 16.627 ( 3.793 1.523 0.192) 4.092 16.719 ( 3.117 -2.935 -1.359) 4.492 18.170 ( 1.138 -2.735 1.898) 3.518 18.401 ( 1.505 -1.426 -1.834) 2.768 18.812 ( 0.385 -5.352 14.534) 15.493 19.221 ( 0.298 -0.632 8.631) 8.660 20.058 ( -1.631 3.179 -0.366) 3.592 20.071 ( -1.747 2.606 -0.447) 3.169 20.123 ( -7.903 12.964 -6.030) 16.337 20.264 ( -1.095 7.424 -7.768) 10.801 20.882 ( 0.721 -4.531 2.952) 5.456 21.003 ( -1.760 1.116 -0.990) 2.307 21.152 ( -1.808 6.197 -2.717) 7.004 21.223 ( 2.648 -4.685 -2.352) 5.873 24.569 ( 0.109 0.634 0.178) 0.668 24.591 ( 0.034 -0.496 -0.167) 0.524 25.247 ( -2.776 -3.533 -0.845) 4.572 25.383 ( -13.071 -14.202 -2.799) 19.503 25.585 ( 1.415 -7.068 -0.592) 7.233 25.987 ( 29.516 -15.280 -32.258) 46.317 27.239 ( 0.116 1.796 -0.587) 1.893 27.291 ( -7.720 -6.227 -1.528) 10.035 27.392 ( -1.629 -5.998 -2.619) 6.744 27.686 ( 28.041 -14.622 -28.196) 42.369 29.351 ( 0.632 -8.534 1.771) 8.738 29.556 ( 0.328 -0.697 4.237) 4.307 29.765 ( 1.582 7.534 -2.290) 8.032 30.155 ( -3.112 -0.461 -5.010) 5.915 30.392 ( 3.009 -1.306 -5.012) 5.990 30.601 ( 0.299 -3.331 -8.135) 8.795 30.962 ( 2.894 -0.793 5.183) 5.989 31.009 ( 3.367 -8.874 4.721) 10.601 31.627 ( 0.754 4.342 3.008) 5.335 31.896 ( 1.372 -9.501 -1.450) 9.709 34.032 ( -48.780 87.503 101.686) 142.745 35.781 ( -10.481 18.695 -3.294) 21.684 ======================= Grid point 91 (28/100) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 12.980 -21.915 14.794) 29.455 1.669 ( 15.432 -29.249 9.527) 34.416 2.532 ( 4.621 1.253 -2.581) 5.440 2.694 ( 18.685 -33.543 27.080) 46.985 2.856 ( 0.419 -12.627 -2.435) 12.867 3.237 ( -0.984 -1.142 8.380) 8.514 3.326 ( 2.544 -1.810 4.272) 5.291 3.456 ( -3.495 16.560 0.441) 16.930 3.520 ( -3.415 11.802 -0.163) 12.288 3.928 ( -4.226 2.905 -2.371) 5.649 3.974 ( 0.549 -0.825 -3.300) 3.445 4.048 ( -7.577 4.697 -1.056) 8.977 4.118 ( -1.895 4.618 -2.376) 5.528 4.423 ( 2.037 -1.292 0.804) 2.542 4.555 ( 4.731 -3.647 -1.740) 6.222 4.646 ( 0.914 -1.833 1.454) 2.512 4.862 ( 0.074 0.124 -5.182) 5.184 5.407 ( -6.679 4.109 -15.967) 17.789 5.988 ( -3.548 1.333 -3.243) 4.988 6.218 ( 5.879 8.118 -10.758) 14.704 6.499 ( -0.305 -6.680 15.184) 16.591 6.850 ( 0.675 -7.298 -8.486) 11.213 7.068 ( 0.469 -7.620 1.012) 7.701 7.289 ( 0.695 0.429 -2.329) 2.468 7.420 ( 0.508 1.587 0.943) 1.915 7.550 ( 1.463 -0.653 -16.545) 16.623 7.911 ( -3.895 2.156 8.824) 9.884 8.015 ( 1.329 -0.675 4.938) 5.158 8.044 ( 5.869 1.145 7.632) 9.695 8.445 ( -4.116 -2.211 -12.428) 13.277 8.796 ( 6.533 -4.432 0.343) 7.902 8.889 ( 1.270 2.974 -6.031) 6.843 9.122 ( 3.452 -8.477 -18.687) 20.808 9.581 ( 1.130 0.746 -18.065) 18.115 10.105 ( -7.684 17.715 24.894) 31.506 10.697 ( -4.016 15.761 4.700) 16.930 10.939 ( -1.927 1.652 12.686) 12.937 10.969 ( -3.154 -3.637 13.798) 14.614 11.440 ( -5.193 8.913 -1.288) 10.396 11.533 ( -7.273 4.831 8.166) 11.956 11.590 ( -5.688 12.150 -0.423) 13.422 11.629 ( -6.284 16.273 4.302) 17.967 11.828 ( -5.727 4.195 5.752) 9.137 12.055 ( 1.213 1.314 -2.664) 3.208 12.238 ( -0.112 2.411 0.352) 2.439 12.661 ( -2.562 -1.850 -8.358) 8.936 13.215 ( -5.646 -8.568 -18.227) 20.916 13.345 ( 9.711 -1.190 -19.623) 21.927 14.456 ( 0.708 -10.975 12.248) 16.461 14.630 ( 6.503 -4.719 11.842) 14.311 15.015 ( 5.967 -8.526 0.913) 10.447 15.464 ( 3.230 -3.648 -0.164) 4.875 16.410 ( -0.686 -3.114 0.073) 3.190 16.495 ( -0.635 -4.223 -1.544) 4.541 16.661 ( 5.235 -0.554 0.603) 5.299 16.804 ( 3.095 -3.310 -1.873) 4.903 18.247 ( 1.733 -4.318 1.617) 4.926 18.450 ( 2.197 -1.729 -1.631) 3.237 18.933 ( 0.823 -7.181 10.694) 12.908 19.241 ( -0.037 -1.496 6.917) 7.077 19.789 ( -6.411 16.043 -3.267) 17.583 19.965 ( -2.665 4.802 -0.478) 5.512 19.992 ( -2.513 3.859 -0.457) 4.628 20.088 ( -6.637 7.975 -5.948) 11.959 20.920 ( -1.065 1.885 -2.302) 3.160 21.002 ( 1.906 -3.002 2.040) 4.100 21.039 ( -0.603 5.284 -4.298) 6.838 21.350 ( 2.593 -6.169 -1.129) 6.786 24.562 ( 0.111 0.239 0.292) 0.393 24.597 ( 0.074 -0.134 -0.265) 0.306 25.275 ( -0.788 -1.874 2.123) 2.939 25.461 ( -3.408 -6.387 0.708) 7.274 25.749 ( 4.550 -7.674 -0.586) 8.941 26.252 ( 6.083 -1.358 -16.167) 17.327 27.174 ( -0.441 5.513 0.835) 5.594 27.291 ( -3.102 -1.358 1.649) 3.767 27.479 ( -3.712 -7.438 -4.000) 9.226 28.084 ( 12.072 -3.566 -38.551) 40.554 29.517 ( -1.757 -7.034 0.432) 7.263 29.595 ( 1.061 -2.765 -0.811) 3.071 29.695 ( 5.909 1.517 -4.449) 7.550 30.148 ( -2.626 -2.571 -4.660) 5.934 30.425 ( 3.910 1.827 -7.558) 8.704 30.661 ( 0.080 -2.973 -6.321) 6.985 31.019 ( 3.510 -2.132 9.693) 10.527 31.231 ( 4.144 -10.994 2.455) 12.003 31.581 ( 2.393 2.786 6.075) 7.099 32.110 ( 2.356 -12.618 -1.384) 12.910 32.646 ( -20.822 38.877 84.142) 94.999 35.201 ( -17.257 30.974 -6.202) 35.995 ======================= Grid point 92 (29/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 10.866 -20.181 7.177) 24.018 2.276 ( 13.469 -23.585 4.894) 27.597 2.554 ( 3.705 0.932 -0.581) 3.864 3.012 ( -1.850 -8.936 -3.291) 9.701 3.106 ( -4.656 12.053 0.464) 12.929 3.217 ( -2.694 2.681 7.675) 8.564 3.295 ( 4.569 -4.879 8.807) 11.056 3.310 ( -1.398 6.144 -0.579) 6.327 3.410 ( 2.022 -1.492 3.430) 4.252 3.888 ( -0.051 -1.468 -3.825) 4.098 3.923 ( 2.201 -4.058 1.212) 4.773 4.023 ( 1.274 -4.394 -0.011) 4.575 4.104 ( 0.542 -0.099 -7.008) 7.030 4.410 ( -2.231 1.485 4.099) 4.898 4.637 ( 2.960 -1.336 -1.169) 3.452 4.683 ( 0.510 -0.675 -1.170) 1.444 4.814 ( 2.360 4.813 -1.890) 5.683 5.267 ( -9.998 3.084 -6.342) 12.235 5.991 ( -2.021 -4.006 -3.620) 5.766 6.151 ( 7.387 7.345 -7.303) 12.722 6.603 ( -0.309 -5.236 13.584) 14.561 6.958 ( 0.234 -5.253 -5.918) 7.917 7.183 ( 1.190 -4.043 -3.005) 5.176 7.324 ( 1.234 -3.368 10.196) 10.809 7.378 ( -0.712 2.091 -3.909) 4.490 7.531 ( -1.781 1.306 -8.050) 8.347 7.823 ( -2.703 3.118 15.093) 15.647 8.005 ( -1.599 -0.220 5.195) 5.440 8.105 ( 9.240 2.418 7.860) 12.370 8.392 ( -6.397 2.366 -11.520) 13.388 8.869 ( 3.574 -0.080 -3.613) 5.083 8.957 ( 3.553 -6.089 -3.117) 7.708 9.267 ( 0.329 -2.482 -8.412) 8.776 9.477 ( -0.003 6.631 -10.222) 12.184 9.884 ( -0.820 6.161 4.330) 7.575 10.454 ( -3.903 4.650 -10.173) 11.847 10.863 ( -9.092 0.680 12.387) 15.380 11.077 ( 6.651 -2.777 3.916) 8.202 11.139 ( -3.584 20.418 4.621) 21.239 11.246 ( -6.058 7.125 0.621) 9.373 11.425 ( -5.955 3.578 7.765) 10.419 11.464 ( -1.834 4.706 3.853) 6.353 11.715 ( -6.899 2.524 7.190) 10.279 12.044 ( 0.643 0.898 -1.815) 2.125 12.183 ( -1.401 2.737 1.341) 3.355 12.653 ( -1.666 0.014 -9.274) 9.423 13.283 ( -3.049 -4.536 -19.080) 19.848 13.442 ( 4.707 -1.410 -20.027) 20.621 14.565 ( 3.979 -1.098 13.879) 14.479 14.777 ( 0.810 -5.792 14.087) 15.252 15.182 ( 4.232 -5.351 -0.022) 6.822 15.619 ( 4.375 -8.436 1.310) 9.592 16.449 ( -1.333 -2.662 0.392) 3.003 16.532 ( 0.008 -0.450 -0.854) 0.966 16.753 ( 4.623 -3.785 -0.438) 5.991 16.883 ( 2.322 -2.497 -2.509) 4.234 18.340 ( 1.481 -4.208 1.180) 4.614 18.492 ( 1.770 -0.721 -1.285) 2.303 19.045 ( 1.695 -3.299 6.040) 7.088 19.259 ( -1.767 -0.639 3.026) 3.562 19.510 ( -2.574 8.227 0.091) 8.620 19.846 ( -5.701 5.649 -2.771) 8.490 19.879 ( -4.245 6.289 -1.389) 7.714 19.914 ( -2.160 3.677 -0.449) 4.288 20.847 ( -1.384 4.318 -3.454) 5.700 20.974 ( 0.743 2.389 -3.965) 4.688 21.089 ( 1.942 -4.072 4.049) 6.062 21.466 ( 1.657 -4.552 -0.666) 4.890 24.564 ( 0.111 -0.312 0.272) 0.428 24.596 ( 0.066 0.311 -0.244) 0.401 25.296 ( 0.221 -0.844 4.665) 4.746 25.543 ( -0.399 -5.106 1.766) 5.418 25.909 ( 5.504 -4.456 -0.864) 7.134 26.282 ( 0.170 -0.247 -8.363) 8.368 27.054 ( -0.670 7.018 2.066) 7.347 27.285 ( -1.774 -0.708 2.351) 3.029 27.585 ( -2.775 -8.866 -5.929) 11.021 28.095 ( 1.232 7.444 -24.865) 25.985 29.565 ( -1.512 -2.470 2.397) 3.759 29.603 ( 1.660 0.991 0.281) 1.954 29.833 ( 3.750 -6.435 -12.837) 14.841 30.196 ( -0.622 -4.645 -5.852) 7.497 30.409 ( 2.567 3.492 -8.927) 9.923 30.696 ( 0.797 -0.625 -3.147) 3.306 31.096 ( 1.861 -3.459 15.295) 15.792 31.427 ( 2.688 -7.072 1.511) 7.715 31.580 ( 4.236 1.209 9.609) 10.571 31.978 ( -10.824 16.080 50.437) 54.033 32.490 ( 7.635 -17.679 -1.444) 19.311 34.444 ( -18.972 34.525 -8.276) 40.255 ======================= Grid point 93 (30/100) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 5.585 -11.919 2.751) 13.447 2.553 ( 1.254 0.059 0.126) 1.261 2.743 ( 9.253 -15.259 3.656) 18.216 2.859 ( -1.315 7.989 1.447) 8.224 3.037 ( -6.279 8.744 3.154) 11.217 3.166 ( -2.560 -5.078 2.397) 6.171 3.224 ( -1.811 3.490 -0.108) 3.933 3.233 ( -0.346 4.440 1.647) 4.748 3.431 ( 0.414 0.535 3.025) 3.099 3.907 ( 2.588 -3.749 -6.925) 8.289 3.995 ( 0.770 0.719 -5.080) 5.188 4.056 ( -3.262 3.694 -9.603) 10.794 4.363 ( 9.359 -16.202 2.841) 18.926 4.386 ( -0.609 -1.075 7.930) 8.026 4.620 ( -3.356 5.049 -2.587) 6.592 4.668 ( 1.353 0.890 -2.177) 2.713 4.814 ( 4.959 0.104 4.223) 6.514 5.103 ( -8.773 3.822 -0.151) 9.570 6.050 ( -3.858 -5.612 -4.054) 7.925 6.105 ( 6.363 6.200 -5.185) 10.287 6.662 ( -0.139 -1.809 11.177) 11.323 7.028 ( 0.101 -2.233 -3.508) 4.159 7.240 ( 1.338 -1.323 -6.321) 6.595 7.353 ( -0.447 0.165 -1.803) 1.865 7.390 ( -0.028 -2.325 15.463) 15.637 7.490 ( -0.545 1.420 -7.800) 7.947 7.769 ( -1.040 0.874 16.148) 16.205 8.024 ( -0.731 -3.735 3.288) 5.029 8.101 ( 4.163 6.173 6.561) 9.923 8.292 ( -3.647 1.409 -2.968) 4.908 8.956 ( 5.511 -3.959 -0.001) 6.786 9.054 ( 1.789 -1.728 -3.336) 4.162 9.159 ( -6.488 5.918 -0.134) 8.783 9.486 ( 2.319 -1.533 -17.876) 18.091 9.808 ( 0.316 2.483 -1.441) 2.888 10.428 ( -0.850 -1.747 -14.226) 14.358 10.767 ( -7.888 -1.517 5.154) 9.544 10.844 ( 2.136 12.021 4.016) 12.853 11.067 ( -1.637 3.277 -1.017) 3.802 11.219 ( 3.100 -0.741 -0.643) 3.252 11.340 ( -2.568 -0.805 5.951) 6.532 11.417 ( 0.341 1.304 13.028) 13.098 11.604 ( -4.638 2.590 9.637) 11.004 12.038 ( 0.247 0.322 -1.104) 1.176 12.133 ( -0.822 1.255 1.541) 2.151 12.638 ( -0.602 0.234 -10.088) 10.108 13.314 ( -1.010 -1.433 -19.604) 19.683 13.486 ( 1.318 -0.430 -20.704) 20.750 14.601 ( 1.565 -0.078 15.453) 15.532 14.834 ( 0.389 -0.926 15.750) 15.782 15.286 ( 1.454 -2.738 -0.805) 3.203 15.768 ( 1.759 -3.965 1.157) 4.489 16.476 ( -0.736 -1.505 0.476) 1.742 16.525 ( 0.213 0.794 -0.187) 0.843 16.844 ( 1.894 -2.086 -1.487) 3.186 16.929 ( 0.806 -0.906 -2.922) 3.164 18.407 ( 0.554 -2.056 0.754) 2.259 18.507 ( 0.664 0.217 -0.869) 1.115 19.049 ( 0.452 2.575 3.112) 4.065 19.239 ( -1.842 -0.858 0.033) 2.032 19.502 ( 4.015 -3.733 1.062) 5.584 19.655 ( -6.890 6.847 -1.849) 9.888 19.795 ( -0.717 1.871 0.638) 2.103 19.860 ( -0.730 1.161 -0.371) 1.420 20.775 ( -0.576 2.121 -2.006) 2.976 20.956 ( 0.503 0.674 -5.258) 5.325 21.160 ( 0.707 -2.025 5.700) 6.091 21.531 ( 0.570 -1.600 -0.767) 1.864 24.573 ( 0.077 -0.609 0.126) 0.627 24.588 ( -0.002 0.584 -0.108) 0.594 25.308 ( 0.239 -0.280 6.463) 6.474 25.609 ( 0.220 -2.096 2.419) 3.208 25.995 ( 2.584 -0.882 -1.176) 2.973 26.289 ( -0.690 -0.817 -6.014) 6.108 26.953 ( -0.267 3.274 2.905) 4.385 27.280 ( -0.670 -0.225 2.497) 2.595 27.733 ( -0.873 -10.552 -9.246) 14.057 27.924 ( -0.882 11.052 -14.460) 18.221 29.588 ( -0.804 -1.494 -0.444) 1.754 29.606 ( 1.178 0.649 2.285) 2.651 29.932 ( 0.930 -2.271 -14.928) 15.128 30.274 ( -0.028 -4.057 -10.301) 11.071 30.365 ( 0.987 3.332 -6.722) 7.567 30.705 ( 0.516 0.193 -0.007) 0.551 31.160 ( 0.420 -2.142 21.611) 21.721 31.514 ( 0.912 -1.355 3.332) 3.711 31.609 ( 3.517 0.853 13.796) 14.263 31.726 ( -4.990 4.005 29.252) 29.944 32.947 ( 10.825 -22.208 -6.019) 25.428 33.708 ( -15.096 28.320 -8.610) 33.227 ======================= Grid point 99 (31/100) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 26.587 0.000 23.835) 35.707 1.036 ( 21.134 0.000 29.979) 36.680 1.851 ( 37.352 0.000 51.013) 63.225 2.576 ( 7.280 0.000 -5.331) 9.023 2.624 ( 0.109 0.000 -5.227) 5.228 3.207 ( 0.260 0.000 10.091) 10.094 3.264 ( 1.868 0.000 8.256) 8.464 3.888 ( -5.808 -0.000 -3.044) 6.557 3.932 ( -5.833 -0.000 -1.948) 6.150 3.933 ( -5.390 -0.000 -1.302) 5.545 3.945 ( -0.624 -0.000 -2.808) 2.876 3.954 ( -7.042 -0.000 0.301) 7.049 4.181 ( -6.205 -0.000 -2.969) 6.879 4.484 ( 4.531 0.000 1.252) 4.700 4.546 ( 1.667 0.000 0.468) 1.731 4.562 ( 4.910 0.000 -1.025) 5.016 4.665 ( 1.855 0.000 -3.283) 3.771 5.543 ( -6.009 -0.000 -24.076) 24.815 6.062 ( -11.656 -0.000 -3.509) 12.172 6.339 ( 1.844 0.000 9.555) 9.731 6.444 ( 2.619 0.000 -14.790) 15.020 6.570 ( 10.685 0.000 -7.849) 13.258 6.895 ( -0.086 -0.000 -0.032) 0.092 7.321 ( 30.914 0.000 -31.100) 43.851 7.324 ( -1.201 -0.000 -12.635) 12.692 7.513 ( 12.820 0.000 -0.082) 12.820 7.919 ( -5.682 -0.000 -3.011) 6.430 7.967 ( 3.984 0.000 5.154) 6.514 8.041 ( -3.792 -0.000 21.674) 22.003 8.415 ( -0.653 -0.000 5.876) 5.912 8.793 ( 11.845 0.000 -0.248) 11.847 8.905 ( -2.707 -0.000 -16.271) 16.494 8.965 ( 1.366 0.000 -9.011) 9.114 9.494 ( 5.107 0.000 -26.129) 26.623 10.670 ( -4.260 -0.000 26.882) 27.217 10.802 ( 4.409 0.000 24.707) 25.098 11.034 ( -46.987 -0.000 32.217) 56.971 11.309 ( -10.573 -0.000 2.639) 10.897 11.426 ( -1.130 -0.000 5.730) 5.840 11.644 ( -8.176 -0.000 -4.382) 9.276 11.722 ( -1.983 -0.000 -1.138) 2.286 11.970 ( -8.589 -0.000 2.240) 8.876 12.058 ( -9.219 -0.000 -1.833) 9.399 12.121 ( -15.759 -0.000 4.289) 16.332 12.321 ( -2.921 -0.000 3.523) 4.577 12.548 ( -0.211 -0.000 -7.727) 7.730 13.038 ( 0.053 0.000 -16.706) 16.706 13.386 ( 15.156 0.000 -22.419) 27.062 14.011 ( 2.368 0.000 15.515) 15.695 14.732 ( -2.100 -0.000 8.109) 8.376 14.739 ( 20.918 0.000 3.577) 21.222 15.409 ( 3.818 0.000 -9.331) 10.082 16.344 ( 2.334 0.000 -0.369) 2.363 16.373 ( -0.082 -0.000 -1.277) 1.280 16.686 ( 4.772 0.000 0.016) 4.772 16.745 ( 5.448 0.000 -1.949) 5.786 18.163 ( 2.235 0.000 2.054) 3.036 18.411 ( 2.956 0.000 -1.950) 3.541 18.772 ( 1.001 0.000 15.415) 15.448 19.219 ( -0.245 -0.000 8.689) 8.693 20.059 ( -5.402 -0.000 -1.991) 5.757 20.065 ( -3.409 -0.000 -0.216) 3.415 20.095 ( -12.058 -0.000 -4.571) 12.896 20.384 ( -1.825 -0.000 -10.775) 10.929 20.791 ( -1.681 -0.000 5.927) 6.161 20.983 ( -4.209 -0.000 -0.305) 4.220 21.175 ( -4.215 -0.000 -3.667) 5.587 21.246 ( 8.194 0.000 -2.495) 8.566 24.579 ( -0.043 -0.000 0.044) 0.061 24.584 ( 0.154 0.000 -0.081) 0.174 25.017 ( 1.349 0.000 2.681) 3.001 25.273 ( 2.970 0.000 -1.471) 3.315 25.542 ( 1.693 0.000 1.419) 2.209 26.220 ( 26.841 0.000 -30.075) 40.310 27.160 ( -0.931 -0.000 1.793) 2.020 27.260 ( 0.739 0.000 -0.786) 1.079 27.364 ( -0.134 -0.000 0.759) 0.771 27.911 ( 37.797 0.000 -40.653) 55.510 29.282 ( 0.695 0.000 5.347) 5.392 29.556 ( 1.018 0.000 4.326) 4.444 29.866 ( 2.953 0.000 -3.215) 4.366 30.112 ( -4.715 -0.000 -4.594) 6.583 30.400 ( 4.100 0.000 -3.641) 5.483 30.581 ( 0.758 0.000 -8.866) 8.898 30.980 ( 7.522 0.000 5.290) 9.196 31.007 ( 5.895 0.000 3.565) 6.889 31.689 ( 0.032 0.000 1.735) 1.735 31.818 ( 3.859 0.000 -0.453) 3.886 34.061 ( -98.474 -0.000 99.534) 140.015 35.786 ( -20.954 -0.000 -3.334) 21.218 ======================= Grid point 100 (32/100) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 22.368 -11.694 17.854) 30.917 1.473 ( 29.024 -16.754 11.298) 35.366 2.448 ( 33.543 -22.668 35.044) 53.545 2.617 ( 5.453 1.638 -4.965) 7.554 2.703 ( 2.308 -5.831 -3.050) 6.974 3.218 ( 0.417 -0.692 8.924) 8.961 3.305 ( 1.959 -2.481 6.538) 7.262 3.658 ( -8.270 12.029 -1.098) 14.639 3.680 ( -6.840 12.682 -0.213) 14.410 3.899 ( -6.786 -0.048 -1.677) 6.990 3.944 ( -5.948 -2.979 -3.186) 7.376 3.982 ( -3.614 -1.950 -1.271) 4.298 4.132 ( -4.603 1.032 -3.031) 5.607 4.486 ( 4.920 2.943 1.117) 5.841 4.571 ( 4.438 0.093 -1.358) 4.642 4.607 ( 0.974 -2.833 0.920) 3.134 4.803 ( 1.676 -7.468 -4.725) 8.995 5.427 ( -7.385 5.071 -18.901) 20.917 5.937 ( -9.401 0.742 -3.443) 10.039 6.380 ( -2.218 -4.300 13.531) 14.370 6.416 ( 7.551 5.890 -13.483) 16.538 6.752 ( 5.323 -6.511 -7.852) 11.506 6.954 ( 2.027 -5.807 3.833) 7.248 7.299 ( -1.629 0.549 -9.224) 9.383 7.444 ( 0.791 0.431 -1.540) 1.784 7.630 ( 6.099 4.576 -14.183) 16.103 7.866 ( -4.904 -0.845 -0.543) 5.006 7.997 ( -4.440 -0.218 18.162) 18.698 8.105 ( 12.392 -3.839 -0.551) 12.985 8.424 ( 3.159 1.349 -5.600) 6.570 8.851 ( 4.370 1.642 -1.859) 5.025 8.924 ( 1.316 -0.761 -8.427) 8.563 9.019 ( 3.495 -5.429 -15.194) 16.509 9.580 ( 4.834 -2.493 -24.557) 25.152 10.300 ( -19.212 19.176 30.361) 40.726 10.768 ( -17.539 -5.046 16.378) 24.522 10.866 ( 4.686 1.368 18.139) 18.784 11.066 ( -3.877 11.635 8.176) 14.739 11.468 ( -2.485 -1.186 4.424) 5.211 11.504 ( -8.966 4.169 -1.212) 9.961 11.655 ( -4.454 4.130 -2.407) 6.534 11.807 ( -11.882 7.510 4.634) 14.801 11.815 ( -18.870 5.943 7.179) 21.046 12.059 ( -1.654 0.615 -4.949) 5.254 12.266 ( -2.547 2.360 1.984) 3.999 12.598 ( -0.332 -4.051 -8.235) 9.183 13.035 ( -1.820 -1.572 -17.163) 17.331 13.512 ( 15.252 2.452 -21.215) 26.243 14.187 ( 1.790 -15.412 14.716) 21.385 14.673 ( -1.155 1.889 11.075) 11.295 15.022 ( 20.543 -4.948 2.068) 21.231 15.465 ( 4.439 -1.086 -6.000) 7.542 16.374 ( 0.531 -1.150 -0.337) 1.311 16.421 ( 1.694 -4.315 -1.080) 4.760 16.729 ( 5.643 1.299 0.120) 5.792 16.803 ( 4.970 -1.193 -1.110) 5.231 18.210 ( 2.704 -2.428 1.984) 4.140 18.454 ( 3.508 -0.965 -1.916) 4.112 18.831 ( 1.592 -5.172 13.331) 14.387 19.217 ( -0.992 -0.732 7.778) 7.875 19.892 ( -13.175 6.277 -4.442) 15.255 19.998 ( -4.302 2.941 -0.645) 5.251 20.010 ( -4.368 2.256 -0.268) 4.923 20.205 ( -4.863 12.258 -7.361) 15.102 20.878 ( -1.152 -6.319 2.492) 6.890 20.942 ( -3.555 -1.601 0.685) 3.958 21.106 ( -2.663 3.375 -4.842) 6.475 21.343 ( 8.550 -1.139 -3.209) 9.204 24.571 ( 0.030 0.580 0.170) 0.605 24.592 ( 0.115 -0.477 -0.168) 0.519 25.182 ( -0.896 -11.808 0.936) 11.879 25.317 ( 1.543 -2.150 -0.434) 2.682 25.624 ( 1.396 -7.641 1.585) 7.927 26.364 ( 9.144 3.189 -17.700) 20.176 27.191 ( -3.379 -4.306 1.679) 5.725 27.249 ( 1.073 2.648 -0.421) 2.888 27.376 ( -0.868 -2.002 -0.415) 2.221 28.232 ( 20.469 1.372 -46.139) 50.494 29.365 ( 0.440 -7.815 2.153) 8.118 29.579 ( 2.209 -0.972 2.904) 3.776 29.843 ( 6.682 6.164 -3.055) 9.590 30.074 ( -4.339 -1.665 -3.557) 5.853 30.478 ( 5.100 -1.733 -6.345) 8.323 30.599 ( -0.727 -2.106 -8.694) 8.975 31.070 ( 7.469 0.565 5.871) 9.517 31.129 ( 8.139 -6.914 3.951) 11.387 31.656 ( 2.030 2.839 3.563) 4.987 31.953 ( 4.589 -8.795 -1.213) 9.994 32.943 ( -47.665 29.405 92.872) 108.452 35.392 ( -27.574 16.475 -5.501) 32.589 ======================= Grid point 101 (33/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 18.038 -14.809 8.946) 24.994 2.067 ( 22.830 -20.334 4.997) 30.979 2.629 ( 4.382 2.757 -2.864) 5.917 2.838 ( 0.386 -8.479 -1.245) 8.579 3.083 ( 9.665 -14.542 13.700) 22.194 3.223 ( -0.803 0.524 7.316) 7.378 3.361 ( 0.656 7.896 2.904) 8.438 3.384 ( -0.309 -0.496 3.946) 3.989 3.437 ( -4.377 9.427 -0.794) 10.424 3.829 ( -1.313 -2.438 1.497) 3.148 3.896 ( -5.949 -0.532 -2.327) 6.410 3.997 ( 1.235 -0.801 -3.961) 4.226 4.111 ( 0.887 -0.663 -4.815) 4.940 4.462 ( 1.794 4.466 2.348) 5.355 4.622 ( 0.357 -2.541 -0.504) 2.615 4.661 ( 1.294 -1.829 -0.557) 2.309 4.891 ( 2.540 -0.347 -4.613) 5.278 5.252 ( -7.963 5.685 -9.118) 13.374 5.884 ( -6.243 -3.658 -2.636) 7.701 6.360 ( 7.425 7.055 -9.967) 14.291 6.477 ( -1.715 -6.652 14.309) 15.872 6.883 ( 2.870 -5.110 -6.273) 8.585 7.102 ( 3.228 -6.697 3.181) 8.086 7.289 ( -1.491 -1.565 -2.247) 3.118 7.409 ( -1.901 2.104 -1.114) 3.046 7.562 ( 0.063 4.014 -7.970) 8.924 7.817 ( -4.986 0.813 9.528) 10.784 7.959 ( -4.630 -0.474 12.048) 12.916 8.247 ( 11.372 1.573 7.632) 13.786 8.393 ( -2.185 3.429 -15.173) 15.709 8.874 ( 0.748 -1.778 -2.588) 3.228 8.953 ( 5.176 -0.346 -4.471) 6.849 9.181 ( 2.077 -7.524 -12.440) 14.686 9.579 ( -2.437 6.028 -12.611) 14.189 9.963 ( -3.828 5.204 7.138) 9.628 10.540 ( -13.190 9.308 -6.902) 17.557 10.808 ( -0.473 3.952 22.659) 23.006 11.078 ( 5.956 -4.230 9.376) 11.885 11.281 ( -10.572 6.852 -2.255) 12.799 11.423 ( -9.978 15.501 3.747) 18.811 11.453 ( -1.756 4.392 9.816) 10.896 11.521 ( -4.836 4.763 -1.211) 6.895 11.669 ( -7.855 1.016 5.539) 9.665 12.030 ( -3.349 -0.114 -2.998) 4.496 12.194 ( -3.922 2.111 1.811) 4.808 12.645 ( 0.228 -1.288 -8.456) 8.556 13.059 ( -7.106 -6.010 -18.238) 20.476 13.604 ( 13.257 3.494 -20.684) 24.815 14.480 ( 1.577 -13.987 13.733) 19.666 14.651 ( -3.957 -2.924 13.400) 14.274 15.254 ( 15.993 0.453 0.512) 16.008 15.557 ( 6.164 -4.420 -1.248) 7.687 16.404 ( 0.125 -2.014 0.304) 2.041 16.517 ( 2.656 -3.390 -1.501) 4.560 16.762 ( 4.414 0.139 0.256) 4.424 16.879 ( 4.291 -1.780 -1.952) 5.039 18.289 ( 2.223 -3.593 1.677) 4.545 18.502 ( 2.788 -0.683 -1.715) 3.344 18.965 ( 2.468 -7.381 8.858) 11.792 19.226 ( -1.494 -1.490 5.156) 5.571 19.633 ( -8.194 10.045 -1.580) 13.059 19.882 ( -5.738 5.557 -3.437) 8.696 19.918 ( -4.536 3.244 -0.312) 5.585 19.960 ( -6.107 7.697 -2.027) 10.033 20.884 ( -1.600 0.906 -2.700) 3.266 20.988 ( -1.744 -0.277 -1.570) 2.363 21.049 ( -0.277 -2.026 2.019) 2.873 21.445 ( 6.490 -1.878 -2.496) 7.202 24.564 ( 0.041 0.198 0.295) 0.357 24.599 ( 0.126 -0.113 -0.270) 0.319 25.300 ( 3.065 -0.822 1.950) 3.724 25.410 ( -1.159 -8.288 1.680) 8.535 25.805 ( 0.317 -11.441 -0.058) 11.445 26.343 ( 2.958 5.155 -9.352) 11.081 27.179 ( 0.988 6.592 0.658) 6.698 27.223 ( -3.448 -3.338 2.476) 5.400 27.424 ( -2.141 -5.690 -3.211) 6.875 28.254 ( 4.319 8.294 -30.556) 31.955 29.484 ( -1.442 -5.596 2.515) 6.303 29.625 ( 2.241 -0.933 0.696) 2.526 29.846 ( 8.475 1.611 -6.518) 10.812 30.099 ( -2.099 -4.911 -3.188) 6.220 30.507 ( 3.791 3.460 -10.559) 11.740 30.643 ( -1.546 -3.676 -8.318) 9.224 31.127 ( 6.777 0.943 11.975) 13.792 31.335 ( 5.922 -7.815 3.144) 10.297 31.652 ( 4.681 1.649 6.386) 8.088 32.098 ( -8.926 6.443 34.800) 36.500 32.321 ( -4.132 -2.407 25.823) 26.262 34.735 ( -28.531 25.891 -7.872) 39.323 ======================= Grid point 102 (34/100) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 11.187 -13.256 4.224) 17.853 2.556 ( 10.852 -9.924 2.277) 14.881 2.627 ( 5.720 -3.225 0.533) 6.588 2.983 ( -1.550 -0.722 -0.114) 1.714 2.987 ( -5.714 1.665 0.515) 5.974 3.160 ( -3.065 6.320 6.898) 9.845 3.258 ( -4.927 4.467 -0.085) 6.651 3.304 ( -1.320 4.639 1.571) 5.073 3.423 ( -1.042 -1.312 3.041) 3.472 3.879 ( 1.337 -2.624 -8.071) 8.592 4.014 ( 2.268 -0.311 -4.985) 5.486 4.089 ( 2.261 -1.411 -3.113) 4.098 4.197 ( 13.145 -13.783 2.009) 19.152 4.391 ( 0.088 2.984 5.976) 6.680 4.658 ( -1.805 2.185 -2.427) 3.732 4.659 ( -1.989 -1.860 -0.504) 2.769 4.898 ( 5.088 3.286 -0.824) 6.112 5.094 ( -5.953 3.655 -0.258) 6.991 5.916 ( -5.045 -5.576 -2.414) 7.898 6.306 ( 7.756 8.309 -7.905) 13.845 6.569 ( -2.960 -6.393 14.711) 16.311 6.999 ( 3.817 -4.183 -4.289) 7.104 7.203 ( -0.022 -2.850 -6.294) 6.909 7.327 ( -0.790 -3.592 4.644) 5.924 7.361 ( -0.989 0.992 0.439) 1.468 7.525 ( 1.533 1.356 -3.707) 4.234 7.755 ( -3.743 0.845 16.348) 16.792 7.932 ( -4.877 -2.270 9.108) 10.578 8.227 ( -2.051 7.171 -1.953) 7.710 8.323 ( 2.245 2.171 0.098) 3.125 8.939 ( 2.976 -3.820 -2.610) 5.501 9.040 ( 4.691 -2.993 -3.984) 6.844 9.201 ( -4.901 4.997 0.930) 7.060 9.483 ( 0.141 -0.072 -17.611) 17.612 9.891 ( 1.378 5.593 -4.639) 7.396 10.377 ( -4.172 -1.377 -11.388) 12.206 10.707 ( -4.922 3.833 12.574) 14.036 11.057 ( -7.294 8.394 1.156) 11.180 11.107 ( -2.765 8.183 3.042) 9.157 11.244 ( 6.917 -2.567 1.133) 7.465 11.326 ( -3.979 4.360 3.115) 6.674 11.468 ( 2.236 1.068 13.224) 13.455 11.588 ( -4.624 1.818 5.816) 7.649 12.001 ( -4.692 -1.297 -1.543) 5.106 12.125 ( -4.218 0.899 2.257) 4.867 12.655 ( 1.452 0.729 -9.736) 9.871 13.092 ( -10.767 -8.030 -18.903) 23.189 13.654 ( 11.322 4.811 -20.804) 24.169 14.585 ( -2.534 -1.160 15.726) 15.971 14.748 ( -2.147 -8.404 14.209) 16.648 15.349 ( 10.980 2.384 -0.507) 11.247 15.706 ( 3.940 -5.178 0.480) 6.524 16.444 ( 0.638 -2.071 0.548) 2.235 16.567 ( 3.403 0.965 -0.936) 3.659 16.815 ( 1.344 -2.368 -0.841) 2.850 16.937 ( 3.026 -0.556 -2.789) 4.153 18.366 ( 1.046 -3.238 1.214) 3.613 18.525 ( 1.368 0.497 -1.343) 1.980 19.102 ( 4.146 -2.664 3.715) 6.172 19.202 ( -3.286 1.450 2.131) 4.176 19.476 ( -1.156 0.068 1.176) 1.650 19.689 ( -8.508 6.688 -3.706) 11.440 19.818 ( -3.093 2.866 0.509) 4.247 19.857 ( -3.517 1.129 0.080) 3.694 20.825 ( -0.691 3.983 -3.010) 5.040 20.963 ( -1.175 0.199 -3.461) 3.660 21.117 ( 0.527 -3.807 5.376) 6.609 21.527 ( 4.062 -1.230 -1.684) 4.566 24.565 ( 0.046 -0.337 0.274) 0.437 24.598 ( 0.079 0.389 -0.241) 0.465 25.323 ( 2.262 0.675 4.572) 5.145 25.524 ( -1.070 -5.612 3.269) 6.583 25.989 ( 1.544 -7.784 -1.934) 8.168 26.276 ( -0.220 3.368 -5.627) 6.562 27.061 ( 1.353 7.726 1.639) 8.013 27.241 ( -2.465 -2.415 2.752) 4.414 27.535 ( -2.134 -9.852 -6.348) 11.913 28.097 ( -0.839 10.603 -18.179) 21.062 29.543 ( -0.586 -2.998 2.266) 3.803 29.644 ( 2.287 1.033 1.043) 2.717 29.923 ( 4.895 -1.492 -10.236) 11.444 30.186 ( -0.163 -5.851 -5.098) 7.762 30.457 ( 1.827 5.128 -12.250) 13.405 30.669 ( -2.999 -1.849 -5.325) 6.385 31.176 ( 5.358 0.302 19.002) 19.745 31.486 ( 3.024 -4.074 2.170) 5.518 31.669 ( 2.354 2.440 15.056) 15.433 31.799 ( -4.290 8.929 33.746) 35.170 32.653 ( 8.442 -21.901 -4.217) 23.848 34.001 ( -24.465 27.276 -8.840) 37.691 ======================= Grid point 103 (35/100) ======================= q-point: ( 0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 1.161 -1.941 1.801) 2.891 2.561 ( -0.328 1.864 0.204) 1.903 2.802 ( -1.898 2.603 1.461) 3.537 2.918 ( -3.871 10.059 3.477) 11.325 2.939 ( 5.831 -6.827 4.745) 10.155 3.133 ( -0.037 -6.071 1.603) 6.279 3.177 ( -1.411 -1.873 2.980) 3.792 3.264 ( 1.948 1.855 -0.773) 2.798 3.413 ( -2.042 -0.068 3.047) 3.669 3.964 ( 1.663 0.242 -6.441) 6.657 3.999 ( -0.318 4.812 -9.939) 11.047 4.045 ( 3.293 -1.553 -6.644) 7.576 4.393 ( 1.450 -1.169 7.017) 7.260 4.519 ( 1.672 2.311 -0.287) 2.867 4.544 ( -0.445 -2.334 -0.246) 2.389 4.658 ( -2.174 0.695 -0.832) 2.429 4.796 ( -6.110 6.061 5.365) 10.142 5.132 ( 11.098 -4.543 -0.570) 12.005 5.954 ( -5.713 -4.837 -2.597) 7.924 6.221 ( 5.038 9.081 -5.523) 11.762 6.630 ( -2.438 -3.741 12.502) 13.275 7.076 ( 3.801 0.532 -3.157) 4.969 7.218 ( -2.865 -1.386 -7.374) 8.032 7.350 ( -0.766 -0.319 -0.338) 0.896 7.381 ( 0.541 -2.806 6.608) 7.199 7.524 ( 2.890 2.615 -0.626) 3.947 7.730 ( -2.487 -1.970 17.365) 17.653 7.938 ( -7.567 -4.579 12.436) 15.260 8.085 ( -2.295 4.224 -8.616) 9.866 8.328 ( 3.086 -0.251 5.962) 6.718 8.974 ( -5.449 4.073 3.886) 7.835 9.081 ( 3.133 1.543 -4.901) 6.017 9.136 ( 4.816 -3.249 -5.905) 8.283 9.486 ( -2.347 0.966 -17.430) 17.614 9.810 ( -0.135 3.255 -3.689) 4.922 10.421 ( -0.725 -3.460 -15.323) 15.726 10.663 ( -1.264 -4.721 7.053) 8.581 10.893 ( -0.684 4.573 1.913) 5.003 11.030 ( 1.043 0.001 1.486) 1.816 11.229 ( -1.164 2.992 -0.937) 3.345 11.338 ( 1.257 -1.384 3.587) 4.045 11.481 ( 4.752 4.367 13.146) 14.645 11.575 ( 2.425 -5.060 10.770) 12.144 11.985 ( -4.883 -2.359 -0.567) 5.453 12.094 ( -3.329 -1.837 2.504) 4.553 12.661 ( 2.870 0.803 -11.006) 11.402 13.120 ( -11.821 -8.227 -18.833) 23.708 13.664 ( 9.892 6.233 -20.697) 23.771 14.559 ( -5.274 -0.768 16.623) 17.456 14.812 ( -1.398 -1.658 15.811) 15.959 15.390 ( 7.658 4.611 -1.821) 9.123 15.778 ( -0.941 -1.115 0.621) 1.586 16.485 ( 1.397 -1.413 0.552) 2.062 16.566 ( 3.733 2.790 -0.188) 4.664 16.838 ( -2.261 -0.219 -1.559) 2.755 16.952 ( 1.261 1.324 -3.123) 3.619 18.411 ( -0.124 -1.182 0.752) 1.407 18.514 ( 0.032 1.360 -0.906) 1.634 19.061 ( 0.751 4.069 3.106) 5.174 19.242 ( 2.169 -2.901 -0.199) 3.628 19.515 ( -6.729 4.170 -0.383) 7.925 19.574 ( 2.734 -8.202 -0.611) 8.667 19.771 ( -1.503 -0.296 0.650) 1.665 19.831 ( -1.953 -1.297 -0.300) 2.364 20.771 ( 0.094 1.298 -1.746) 2.178 20.945 ( -1.490 0.522 -4.878) 5.127 21.167 ( 0.189 -1.080 6.165) 6.262 21.561 ( 2.119 0.899 -1.269) 2.629 24.574 ( 0.002 -0.546 0.126) 0.561 24.588 ( 0.011 0.648 -0.100) 0.656 25.326 ( 1.532 1.085 6.571) 6.834 25.572 ( -3.470 -2.629 4.225) 6.067 26.056 ( 3.270 3.352 -2.417) 5.270 26.256 ( -2.355 -2.824 -5.272) 6.428 26.970 ( 1.573 3.909 2.516) 4.907 27.262 ( -1.025 -2.049 2.502) 3.393 27.720 ( -0.450 -12.847 -11.263) 17.091 27.908 ( -0.674 9.962 -10.705) 14.638 29.578 ( -0.087 -1.278 0.667) 1.444 29.639 ( 1.713 1.886 1.344) 2.880 29.969 ( 2.614 0.841 -13.560) 13.835 30.273 ( 0.161 -3.650 -9.167) 9.868 30.379 ( 0.106 4.682 -9.363) 10.469 30.657 ( -4.436 -1.510 -0.085) 4.687 31.217 ( 4.301 1.146 23.574) 23.990 31.532 ( 0.891 0.908 2.628) 2.920 31.577 ( -4.261 2.082 22.379) 22.876 31.761 ( 5.990 1.329 16.669) 17.763 33.092 ( 0.857 -6.451 -6.543) 9.229 33.445 ( -7.947 0.899 -8.521) 11.686 ======================= Grid point 105 (36/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -5.204 17.757 4.778) 19.111 2.518 ( -1.814 3.030 0.455) 3.561 2.579 ( -6.344 19.130 5.410) 20.868 2.887 ( 1.141 -11.793 1.213) 11.910 3.135 ( 3.071 -8.143 1.758) 8.879 3.213 ( 1.805 6.089 2.020) 6.664 3.230 ( 1.613 -2.873 -0.017) 3.294 3.287 ( 2.084 -6.343 3.913) 7.739 3.398 ( -2.643 -0.181 3.136) 4.106 3.877 ( -0.618 1.269 -5.649) 5.822 3.996 ( 0.785 2.120 -5.579) 6.019 4.093 ( -1.219 2.752 -9.852) 10.301 4.221 ( -3.145 17.546 7.207) 19.228 4.432 ( 4.293 -0.680 5.898) 7.326 4.609 ( -2.421 -1.124 0.454) 2.707 4.658 ( -1.838 -1.964 -2.442) 3.633 4.719 ( -3.140 -2.835 1.196) 4.396 5.331 ( 12.076 -2.775 -4.770) 13.277 5.971 ( -6.958 -4.814 -3.620) 9.203 6.102 ( 1.437 7.607 -3.705) 8.582 6.645 ( -1.125 0.128 11.792) 11.846 7.049 ( 0.571 4.287 -5.298) 6.839 7.212 ( 0.352 0.892 -3.807) 3.926 7.352 ( -0.462 -1.273 0.068) 1.356 7.398 ( 0.613 4.609 11.578) 12.477 7.513 ( 0.774 -2.312 -5.071) 5.626 7.771 ( -0.424 -4.005 16.058) 16.555 7.921 ( -8.229 -4.016 13.631) 16.421 8.054 ( -0.121 0.370 -9.333) 9.341 8.411 ( 5.648 -3.720 0.058) 6.763 8.841 ( -4.808 2.436 -0.650) 5.429 9.066 ( 2.335 6.416 -4.697) 8.287 9.247 ( 2.572 -4.533 -4.869) 7.132 9.404 ( -5.407 1.613 -14.339) 15.409 9.802 ( -0.192 -2.769 -0.763) 2.879 10.456 ( 1.480 -1.117 -16.761) 16.863 10.840 ( 1.657 -13.068 5.014) 14.095 10.894 ( 1.582 -3.985 6.155) 7.501 11.084 ( 3.052 -0.395 -0.288) 3.091 11.188 ( -0.242 -1.923 2.800) 3.405 11.385 ( 1.534 -4.149 2.869) 5.272 11.484 ( 6.700 0.960 12.800) 14.480 11.710 ( 3.927 -4.705 8.758) 10.689 11.988 ( -3.383 -2.723 -0.469) 4.368 12.119 ( -2.318 -4.119 2.878) 5.533 12.686 ( 4.010 0.405 -10.835) 11.560 13.138 ( -10.810 -6.910 -18.542) 22.548 13.631 ( 8.080 8.151 -19.968) 23.031 14.513 ( -5.956 -0.467 15.969) 17.050 14.803 ( -1.588 0.683 16.020) 16.113 15.325 ( 3.794 9.288 -2.285) 10.290 15.718 ( -2.894 5.821 0.633) 6.531 16.510 ( 2.187 0.961 0.342) 2.413 16.559 ( 3.536 1.934 -0.030) 4.030 16.772 ( -4.970 3.453 -1.108) 6.152 16.917 ( -0.552 3.006 -3.048) 4.317 18.393 ( -0.726 2.830 0.684) 3.001 18.491 ( -0.841 0.767 -0.900) 1.451 19.047 ( 0.238 -0.647 4.452) 4.505 19.289 ( 2.242 0.352 0.575) 2.341 19.431 ( -2.453 -1.466 0.849) 2.981 19.776 ( 4.870 -10.121 -3.396) 11.734 19.799 ( -0.161 -3.855 0.456) 3.885 19.861 ( -0.398 -3.387 -0.539) 3.452 20.791 ( 0.774 -2.944 -2.135) 3.718 20.923 ( -2.519 -0.573 -4.188) 4.921 21.148 ( -0.277 3.218 4.871) 5.844 21.537 ( 0.777 3.603 -0.798) 3.771 24.572 ( -0.080 0.658 0.144) 0.678 24.588 ( -0.012 -0.512 -0.114) 0.525 25.321 ( 1.580 1.177 6.696) 6.980 25.555 ( -4.704 -0.484 4.125) 6.276 25.974 ( 0.464 7.344 -2.041) 7.637 26.282 ( -1.082 -1.144 -6.697) 6.879 26.975 ( 1.410 -2.833 2.743) 4.188 27.288 ( 0.161 -1.311 2.194) 2.560 27.751 ( 0.784 8.347 -6.883) 10.847 27.940 ( 0.588 -11.275 -19.215) 22.286 29.583 ( -0.479 0.117 -0.754) 0.901 29.617 ( 1.191 2.150 2.158) 3.271 29.933 ( 0.822 5.708 -15.851) 16.868 30.269 ( -0.474 3.795 -11.088) 11.729 30.347 ( -0.723 -1.715 -4.793) 5.142 30.648 ( -3.920 -2.411 2.188) 5.095 31.195 ( 2.878 5.690 18.522) 19.588 31.499 ( -0.528 2.529 5.621) 6.187 31.534 ( -3.076 0.497 11.611) 12.022 31.850 ( 5.939 -6.830 33.381) 34.586 32.735 ( -9.206 20.041 -5.694) 22.778 33.965 ( 9.679 -36.550 -8.489) 38.751 ======================= Grid point 106 (37/100) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -4.455 24.336 11.130) 27.129 2.082 ( -5.369 28.924 7.897) 30.459 2.492 ( -1.947 0.334 -0.772) 2.121 3.040 ( 0.572 13.510 -2.752) 13.799 3.156 ( 0.184 -5.446 3.271) 6.355 3.171 ( -3.796 12.760 11.217) 17.408 3.272 ( 2.380 0.107 6.965) 7.361 3.328 ( 0.117 -7.290 -1.124) 7.377 3.364 ( -1.919 -2.404 4.996) 5.867 3.886 ( 0.493 -1.183 -0.122) 1.287 3.949 ( 1.733 -6.690 -2.916) 7.501 4.003 ( -1.144 0.553 -4.074) 4.267 4.106 ( 0.543 2.490 -1.503) 2.959 4.478 ( 3.913 2.503 0.937) 4.739 4.578 ( -2.037 2.366 -0.647) 3.189 4.634 ( -3.576 -0.904 2.400) 4.401 4.807 ( 0.696 -6.081 -5.770) 8.412 5.439 ( 5.793 0.180 -10.596) 12.077 5.978 ( -2.863 -1.435 -2.976) 4.371 6.050 ( -1.747 -3.574 -5.660) 6.918 6.599 ( -0.278 4.416 14.170) 14.845 6.967 ( 0.443 5.775 -8.131) 9.983 7.172 ( 0.037 4.775 -3.331) 5.823 7.301 ( -1.037 3.245 2.918) 4.485 7.387 ( 0.576 -1.829 5.628) 5.946 7.566 ( 1.133 -0.841 -7.806) 7.933 7.853 ( 0.505 -5.493 17.405) 18.258 7.934 ( -4.614 -4.361 8.525) 10.629 8.034 ( -0.056 1.174 -5.907) 6.023 8.514 ( 4.494 -0.951 -11.570) 12.449 8.818 ( -1.331 -2.677 -3.230) 4.401 8.901 ( -1.916 11.343 -2.576) 11.788 9.217 ( -2.656 6.255 -17.725) 18.983 9.477 ( -0.157 -10.105 -4.812) 11.193 9.906 ( 0.843 -9.427 8.547) 12.753 10.531 ( 3.130 -6.666 -12.719) 14.697 10.900 ( -3.895 -0.434 10.863) 11.548 11.069 ( 4.215 1.431 10.957) 11.826 11.210 ( 2.320 -21.263 6.020) 22.220 11.321 ( 1.436 -9.475 1.989) 9.787 11.505 ( 1.473 -7.342 -0.515) 7.506 11.597 ( 10.633 -4.240 8.916) 14.510 11.787 ( -2.057 -3.200 6.327) 7.383 12.005 ( -1.467 -1.830 -1.317) 2.690 12.176 ( -1.253 -4.152 2.334) 4.925 12.717 ( 3.602 0.753 -8.878) 9.610 13.144 ( -7.368 -4.452 -18.714) 20.599 13.535 ( 4.921 10.811 -18.988) 22.397 14.466 ( -4.095 -0.237 13.871) 14.464 14.742 ( -1.325 6.022 14.513) 15.769 15.167 ( 0.781 11.246 -1.888) 11.430 15.549 ( -2.234 9.106 1.103) 9.441 16.490 ( 2.149 3.844 0.042) 4.405 16.563 ( 2.897 2.012 -0.767) 3.609 16.649 ( -5.394 3.628 -0.064) 6.501 16.846 ( -1.196 3.946 -2.742) 4.952 18.316 ( -0.713 4.799 1.116) 4.978 18.464 ( -0.869 1.503 -1.283) 2.159 19.028 ( -0.276 3.702 7.089) 8.002 19.270 ( -0.145 2.007 5.512) 5.868 19.563 ( 1.885 -13.047 -1.881) 13.316 19.887 ( 0.623 -5.792 0.176) 5.828 19.932 ( 0.483 -4.579 -0.545) 4.636 19.998 ( 4.118 -9.807 -5.800) 12.115 20.870 ( 0.617 -4.319 -3.394) 5.528 20.926 ( -2.582 -3.350 -2.037) 4.695 21.072 ( 0.020 4.389 1.665) 4.694 21.454 ( 0.015 6.307 -0.330) 6.315 24.562 ( -0.066 0.326 0.288) 0.440 24.595 ( -0.035 -0.271 -0.242) 0.365 25.319 ( 2.103 1.325 4.987) 5.572 25.512 ( -3.071 0.348 3.168) 4.425 25.833 ( -1.456 8.080 -1.627) 8.370 26.266 ( -0.965 2.066 -10.524) 10.768 27.074 ( 0.854 -6.468 2.009) 6.826 27.309 ( 0.630 -0.702 1.902) 2.123 27.635 ( 1.745 6.734 -4.080) 8.064 28.060 ( -1.574 -1.399 -31.907) 31.977 29.582 ( -0.479 -1.022 -0.603) 1.280 29.592 ( 0.832 1.754 2.533) 3.191 29.784 ( -1.212 11.216 -14.001) 17.980 30.208 ( 0.467 2.733 -7.683) 8.168 30.367 ( -1.354 -1.566 -4.984) 5.397 30.658 ( -1.795 -1.752 -0.568) 2.572 31.094 ( 0.630 7.375 11.110) 13.350 31.387 ( -1.134 9.305 1.058) 9.433 31.521 ( -1.570 -1.748 10.375) 10.638 32.169 ( 7.053 -22.939 58.860) 63.565 32.363 ( -4.745 14.112 -0.150) 14.889 34.710 ( 7.154 -38.849 -7.649) 40.236 ======================= Grid point 107 (38/100) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.000 25.499 19.753) 32.255 1.508 ( -0.000 33.086 13.239) 35.636 2.480 ( -0.000 41.894 32.633) 53.104 2.481 ( 0.000 -0.389 -2.634) 2.663 2.859 ( -0.000 11.855 -5.611) 13.116 3.259 ( -0.000 2.195 9.182) 9.441 3.286 ( -0.000 1.660 4.996) 5.265 3.483 ( 0.000 -16.986 0.455) 16.992 3.555 ( 0.000 -12.954 0.060) 12.954 3.958 ( 0.000 -0.884 -2.549) 2.697 3.972 ( -0.000 1.236 -3.533) 3.743 4.133 ( 0.000 -11.169 -0.537) 11.182 4.161 ( 0.000 -9.955 -0.230) 9.958 4.396 ( -0.000 7.924 -0.573) 7.945 4.493 ( -0.000 5.912 -1.698) 6.151 4.631 ( -0.000 0.512 2.384) 2.439 4.871 ( -0.000 0.483 -6.059) 6.078 5.480 ( 0.000 -2.984 -18.466) 18.706 6.019 ( 0.000 -5.233 -2.699) 5.888 6.155 ( 0.000 -8.481 -10.438) 13.449 6.500 ( -0.000 6.322 15.592) 16.825 6.846 ( -0.000 8.689 -8.784) 12.355 7.064 ( -0.000 6.945 -3.725) 7.881 7.283 ( 0.000 -0.946 0.136) 0.955 7.414 ( 0.000 -1.012 5.962) 6.047 7.521 ( -0.000 8.802 -25.710) 27.175 7.937 ( -0.000 2.157 -3.763) 4.338 7.960 ( 0.000 -5.997 20.410) 21.273 8.031 ( 0.000 -0.485 0.207) 0.527 8.523 ( -0.000 1.438 -13.321) 13.398 8.695 ( -0.000 9.569 2.874) 9.992 8.878 ( 0.000 -4.106 -4.777) 6.300 9.080 ( -0.000 7.229 -19.381) 20.685 9.566 ( -0.000 0.996 -18.712) 18.738 10.187 ( 0.000 -22.945 27.040) 35.463 10.773 ( 0.000 -17.751 3.267) 18.049 10.847 ( -0.000 3.151 18.684) 18.948 11.090 ( 0.000 -3.068 11.334) 11.742 11.490 ( 0.000 -9.132 -0.210) 9.134 11.640 ( 0.000 -6.678 -2.483) 7.125 11.643 ( 0.000 -26.201 10.583) 28.257 11.769 ( -0.000 0.228 4.384) 4.390 11.827 ( 0.000 -11.303 7.166) 13.383 12.021 ( 0.000 -1.183 -2.747) 2.990 12.226 ( 0.000 -2.367 -0.186) 2.374 12.712 ( -0.000 2.511 -7.020) 7.455 13.160 ( 0.000 -2.097 -19.115) 19.229 13.353 ( -0.000 13.277 -18.523) 22.790 14.455 ( 0.000 -1.052 10.664) 10.716 14.525 ( -0.000 18.254 13.146) 22.495 14.972 ( -0.000 11.056 -0.602) 11.073 15.431 ( -0.000 2.682 0.153) 2.686 16.422 ( -0.000 4.537 -0.072) 4.537 16.516 ( -0.000 5.011 -2.160) 5.457 16.593 ( 0.000 -0.109 0.877) 0.884 16.768 ( -0.000 4.114 -2.146) 4.640 18.229 ( -0.000 4.572 1.578) 4.836 18.426 ( -0.000 2.116 -1.608) 2.658 18.926 ( -0.000 7.166 11.366) 13.437 19.238 ( -0.000 1.468 7.639) 7.779 19.855 ( 0.000 -18.312 -3.821) 18.706 19.991 ( 0.000 -5.355 -0.106) 5.356 20.016 ( 0.000 -4.480 -0.427) 4.501 20.171 ( 0.000 -7.351 -7.254) 10.327 20.908 ( 0.000 -0.188 0.417) 0.457 20.983 ( 0.000 -2.294 -1.176) 2.578 21.053 ( 0.000 -4.014 -3.609) 5.398 21.330 ( -0.000 7.730 -0.761) 7.767 24.561 ( 0.000 -0.225 0.307) 0.381 24.596 ( -0.000 0.131 -0.261) 0.292 25.301 ( -0.000 2.310 2.138) 3.148 25.501 ( 0.000 -0.440 1.852) 1.904 25.689 ( -0.000 6.935 -1.166) 7.032 26.166 ( -0.000 10.412 -21.303) 23.711 27.182 ( 0.000 -4.956 0.741) 5.011 27.326 ( 0.000 -0.891 1.555) 1.792 27.548 ( -0.000 5.066 -2.016) 5.452 27.906 ( -0.000 18.157 -43.729) 47.349 29.546 ( -0.000 13.284 -6.769) 14.909 29.571 ( -0.000 1.243 3.815) 4.012 29.638 ( 0.000 -5.049 -1.627) 5.305 30.182 ( -0.000 1.029 -6.463) 6.545 30.378 ( 0.000 -0.708 -4.992) 5.042 30.654 ( -0.000 1.777 -5.316) 5.605 30.988 ( -0.000 4.308 8.120) 9.192 31.187 ( -0.000 12.315 2.214) 12.512 31.557 ( 0.000 -3.223 6.149) 6.942 32.084 ( -0.000 13.093 -2.951) 13.421 32.898 ( 0.000 -56.827 95.072) 110.761 35.378 ( 0.000 -32.940 -5.380) 33.377 ======================= Grid point 110 (39/100) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 26.737 0.000 17.924) 32.189 1.658 ( 33.221 0.000 9.435) 34.534 2.583 ( 23.300 0.000 18.659) 29.850 2.656 ( 12.074 0.000 6.358) 13.646 2.740 ( 7.985 0.000 -4.842) 9.339 3.220 ( 0.798 0.000 8.596) 8.633 3.295 ( 1.013 0.000 7.235) 7.306 3.710 ( -12.102 -0.000 -2.221) 12.305 3.767 ( -7.642 -0.000 1.465) 7.781 3.767 ( -8.586 -0.000 -2.898) 9.062 3.772 ( -8.908 -0.000 1.218) 8.991 3.955 ( 0.721 0.000 -2.989) 3.075 4.116 ( -0.892 -0.000 -4.622) 4.708 4.554 ( -0.909 -0.000 0.791) 1.205 4.576 ( 4.014 0.000 2.277) 4.615 4.635 ( 1.903 0.000 -1.001) 2.150 4.733 ( 4.251 0.000 -3.068) 5.242 5.401 ( -7.366 -0.000 -16.545) 18.111 5.848 ( -9.483 -0.000 -4.095) 10.330 6.306 ( -3.319 -0.000 14.263) 14.644 6.550 ( 6.165 0.000 -16.899) 17.988 6.768 ( 8.960 0.000 -4.142) 9.871 6.931 ( 3.692 0.000 4.820) 6.072 7.271 ( -4.132 -0.000 -10.216) 11.020 7.438 ( -2.934 -0.000 -0.356) 2.956 7.733 ( 1.640 0.000 -6.358) 6.566 7.789 ( -6.809 -0.000 0.606) 6.835 7.935 ( -6.360 -0.000 22.188) 23.081 8.225 ( 18.128 0.000 -10.094) 20.749 8.513 ( 7.388 0.000 -5.589) 9.264 8.806 ( -7.413 -0.000 -11.940) 14.054 8.989 ( 7.669 0.000 -2.630) 8.108 9.020 ( 4.143 0.000 -11.013) 11.767 9.616 ( 6.437 0.000 -25.227) 26.036 10.286 ( -28.649 -0.000 27.677) 39.835 10.508 ( -11.020 -0.000 7.151) 13.137 10.912 ( 5.921 0.000 21.691) 22.485 11.133 ( -4.791 -0.000 10.050) 11.133 11.430 ( -12.903 -0.000 -3.581) 13.391 11.459 ( 2.952 0.000 5.518) 6.258 11.637 ( -21.530 -0.000 4.463) 21.988 11.647 ( -5.075 -0.000 -2.816) 5.804 11.745 ( -12.016 -0.000 7.796) 14.324 12.049 ( -2.100 -0.000 -6.330) 6.669 12.251 ( -4.656 -0.000 5.173) 6.960 12.560 ( 0.576 0.000 -8.123) 8.143 13.048 ( 1.025 0.000 -15.905) 15.938 13.684 ( 13.607 0.000 -21.825) 25.719 14.073 ( 3.786 0.000 16.353) 16.785 14.643 ( -6.220 -0.000 13.839) 15.172 15.226 ( 25.830 0.000 -0.101) 25.830 15.511 ( 6.217 0.000 -9.502) 11.355 16.369 ( -0.364 -0.000 -1.089) 1.148 16.404 ( 3.383 0.000 -0.697) 3.454 16.795 ( 5.493 0.000 0.078) 5.493 16.852 ( 5.678 0.000 -1.294) 5.823 18.219 ( 3.138 0.000 2.171) 3.816 18.485 ( 4.085 0.000 -2.085) 4.587 18.804 ( 2.288 0.000 13.678) 13.868 19.194 ( -2.220 -0.000 7.756) 8.067 19.803 ( -13.341 -0.000 -4.308) 14.019 19.974 ( -5.356 -0.000 -0.084) 5.356 19.982 ( -5.137 -0.000 -0.473) 5.159 20.286 ( -7.426 -0.000 -10.443) 12.814 20.781 ( 0.280 0.000 7.333) 7.339 20.889 ( -4.057 -0.000 0.218) 4.063 21.106 ( -3.046 -0.000 -5.250) 6.069 21.431 ( 9.309 0.000 -4.129) 10.184 24.578 ( -0.049 -0.000 0.084) 0.097 24.587 ( 0.153 0.000 -0.077) 0.171 25.063 ( 3.265 0.000 3.277) 4.626 25.354 ( 4.908 0.000 -1.534) 5.142 25.561 ( -0.212 -0.000 4.183) 4.189 26.463 ( 4.064 0.000 -13.957) 14.536 27.125 ( -2.756 -0.000 3.359) 4.345 27.287 ( 1.875 0.000 -0.737) 2.015 27.357 ( -0.432 -0.000 0.475) 0.642 28.439 ( 12.731 0.000 -48.792) 50.426 29.299 ( 0.997 0.000 4.879) 4.980 29.599 ( 3.311 0.000 3.778) 5.023 29.974 ( 6.235 0.000 -1.165) 6.343 30.019 ( -2.739 -0.000 -6.372) 6.936 30.499 ( 5.402 0.000 -4.033) 6.741 30.582 ( -0.454 -0.000 -9.477) 9.488 31.160 ( 8.857 0.000 3.689) 9.595 31.165 ( 10.108 0.000 3.616) 10.735 31.690 ( 0.048 0.000 3.695) 3.696 31.941 ( 8.901 0.000 -1.035) 8.961 32.694 ( -44.769 -0.000 83.355) 94.616 35.221 ( -34.405 -0.000 -6.378) 34.991 ======================= Grid point 111 (40/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 24.279 -6.031 10.908) 27.291 2.059 ( 27.745 -9.889 6.805) 30.230 2.676 ( 1.893 -2.695 -2.528) 4.152 2.788 ( 4.189 1.171 -1.080) 4.481 2.981 ( 12.904 -9.356 13.308) 20.764 3.224 ( -0.271 0.203 6.766) 6.774 3.330 ( -0.168 -3.022 5.822) 6.562 3.488 ( -9.199 7.942 0.552) 12.165 3.548 ( -5.630 8.906 -0.744) 10.563 3.774 ( -1.716 -3.244 -1.349) 3.910 3.802 ( 1.051 -4.353 2.032) 4.918 3.983 ( 0.659 -1.873 -3.267) 3.823 4.109 ( 0.161 -0.134 -5.442) 5.446 4.548 ( 0.207 0.332 1.293) 1.351 4.584 ( 0.320 1.578 2.152) 2.687 4.655 ( 1.371 -1.066 -0.643) 1.852 4.840 ( 1.935 -6.021 -2.737) 6.891 5.287 ( -5.913 5.165 -10.994) 13.509 5.770 ( -7.159 -1.351 -2.387) 7.667 6.318 ( -3.601 -5.014 14.854) 16.086 6.565 ( 6.793 4.634 -14.292) 16.488 6.861 ( 5.424 -1.786 -4.275) 7.134 7.036 ( 5.577 -6.073 6.660) 10.599 7.233 ( -4.766 -1.016 -7.635) 9.058 7.395 ( -4.516 0.226 0.505) 4.549 7.639 ( -2.868 5.476 -3.818) 7.266 7.776 ( -3.374 -0.652 6.836) 7.651 7.890 ( -5.647 -1.817 17.022) 18.026 8.389 ( 13.357 1.163 -7.489) 15.358 8.484 ( 0.605 7.442 -7.966) 10.918 8.799 ( -4.595 -5.335 -5.250) 8.783 9.023 ( 4.804 2.504 -1.580) 5.643 9.108 ( 5.445 -4.600 -12.293) 14.210 9.650 ( 0.359 4.024 -17.717) 18.171 9.977 ( -10.125 3.735 10.309) 14.924 10.434 ( -13.931 -1.181 -5.151) 14.899 10.992 ( 6.691 4.574 18.728) 20.407 11.045 ( -0.213 -0.557 13.348) 13.361 11.258 ( -13.107 4.160 -2.563) 13.989 11.411 ( -16.584 2.512 5.327) 17.599 11.505 ( -0.108 -0.452 2.208) 2.256 11.544 ( -5.804 5.754 3.394) 8.850 11.619 ( -6.403 1.218 5.880) 8.778 12.012 ( -2.785 1.648 -4.984) 5.942 12.181 ( -5.738 1.738 5.795) 8.338 12.592 ( -0.557 -3.069 -8.281) 8.849 13.026 ( 0.660 3.157 -16.296) 16.613 13.783 ( 11.458 2.570 -21.496) 24.494 14.235 ( 2.766 -13.261 16.139) 21.071 14.580 ( -6.445 -0.345 15.779) 17.048 15.462 ( 20.124 1.746 -2.386) 20.340 15.582 ( 7.760 -1.179 -6.722) 10.334 16.377 ( -0.045 -1.322 -0.446) 1.396 16.475 ( 3.169 -4.005 -1.395) 5.294 16.830 ( 4.211 1.771 0.002) 4.568 16.911 ( 5.675 -0.352 -1.550) 5.894 18.266 ( 2.655 -1.871 2.069) 3.851 18.526 ( 3.431 -0.168 -2.076) 4.014 18.877 ( 3.020 -5.202 10.956) 12.499 19.180 ( -2.698 -1.383 6.297) 6.988 19.652 ( -10.181 3.534 -3.039) 11.197 19.900 ( -5.185 2.366 -0.626) 5.733 19.913 ( -5.079 1.931 -0.294) 5.442 20.076 ( -7.887 12.093 -6.571) 15.863 20.850 ( -1.132 -3.060 1.533) 3.605 20.896 ( -0.941 -6.157 3.607) 7.197 21.052 ( -2.606 2.679 -3.634) 5.213 21.512 ( 7.720 0.417 -4.230) 8.813 24.570 ( -0.041 0.520 0.206) 0.561 24.595 ( 0.155 -0.465 -0.190) 0.526 25.209 ( 3.002 -10.862 2.422) 11.527 25.378 ( 4.028 1.978 0.143) 4.490 25.619 ( -1.967 -7.208 3.786) 8.376 26.453 ( 1.601 3.829 -9.197) 10.090 27.121 ( -3.950 -3.114 3.605) 6.189 27.283 ( 2.190 3.063 -0.373) 3.784 27.358 ( -0.660 -0.939 -0.490) 1.248 28.438 ( 2.172 7.655 -35.711) 36.587 29.367 ( -0.024 -5.851 3.349) 6.742 29.639 ( 3.596 -0.513 2.829) 4.605 29.991 ( -2.802 -1.302 -5.355) 6.182 30.015 ( 8.461 3.409 -1.108) 9.189 30.574 ( 0.985 0.681 -9.838) 9.910 30.584 ( 2.631 -2.834 -8.518) 9.355 31.227 ( 7.574 1.889 6.727) 10.305 31.300 ( 8.450 -4.190 3.816) 10.174 31.702 ( 2.290 -0.745 6.319) 6.763 32.081 ( 6.755 -2.741 5.570) 9.174 32.257 ( -21.073 5.834 54.309) 58.546 34.752 ( -35.326 12.951 -8.037) 38.474 ======================= Grid point 112 (41/100) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 17.128 -6.859 5.152) 19.156 2.492 ( 18.364 -12.227 4.791) 22.577 2.688 ( 1.541 3.591 -2.623) 4.706 2.847 ( 0.383 -6.145 2.056) 6.491 3.028 ( -7.009 3.289 3.552) 8.518 3.209 ( -0.926 1.345 5.831) 6.055 3.283 ( -9.582 5.858 0.185) 11.232 3.365 ( -2.428 -0.988 2.723) 3.780 3.378 ( -2.721 4.546 1.222) 5.437 3.831 ( 1.281 -4.441 -7.642) 8.931 4.015 ( 1.193 -1.883 -3.884) 4.478 4.067 ( 15.087 -7.820 3.898) 17.435 4.147 ( 5.165 -5.076 -3.690) 8.128 4.491 ( 1.059 6.709 3.406) 7.598 4.583 ( -3.030 -2.910 1.791) 4.567 4.668 ( -1.146 0.582 -2.017) 2.392 4.953 ( 3.786 -4.387 -2.313) 6.239 5.127 ( -4.156 7.066 -3.014) 8.734 5.765 ( -5.342 -4.977 -0.430) 7.314 6.391 ( -2.829 -6.677 14.556) 16.263 6.537 ( 6.150 6.092 -9.703) 13.003 6.959 ( 4.606 -4.353 -4.406) 7.719 7.167 ( 0.646 -1.966 -4.388) 4.852 7.244 ( -0.368 -5.374 4.434) 6.976 7.354 ( -3.140 -0.079 -0.046) 3.141 7.547 ( -1.831 1.515 -2.219) 3.251 7.735 ( -3.021 1.150 15.985) 16.308 7.876 ( -2.840 -1.088 10.276) 10.716 8.313 ( -5.889 8.533 -8.822) 13.613 8.406 ( 1.576 5.066 2.131) 5.717 8.881 ( 2.543 -5.344 -1.450) 6.093 9.047 ( 3.862 -1.206 -3.017) 5.047 9.228 ( 3.476 -1.144 -8.344) 9.112 9.498 ( -4.491 4.994 -10.754) 12.679 9.977 ( 3.539 -0.347 -12.463) 12.960 10.289 ( -10.423 0.695 -10.584) 14.871 10.844 ( 2.385 12.514 19.944) 23.666 11.047 ( -11.899 4.445 -0.852) 12.730 11.160 ( -1.230 -0.605 5.570) 5.736 11.248 ( -3.936 -2.483 5.132) 6.928 11.386 ( -3.275 5.234 1.446) 6.341 11.476 ( -2.106 1.815 8.247) 8.703 11.603 ( 2.477 0.262 6.323) 6.796 11.944 ( -4.750 1.319 -2.390) 5.478 12.090 ( -6.485 1.563 5.243) 8.485 12.641 ( -0.956 -3.442 -9.191) 9.861 12.968 ( -2.011 2.441 -17.331) 17.617 13.829 ( 9.018 3.775 -21.331) 23.465 14.510 ( 0.434 -10.437 16.096) 19.189 14.536 ( -5.573 -5.962 16.497) 18.405 15.533 ( 10.451 4.770 -2.549) 11.768 15.708 ( 8.783 -1.135 -3.457) 9.507 16.412 ( 0.539 -2.381 0.230) 2.452 16.582 ( 3.414 -3.855 -2.038) 5.538 16.825 ( 1.965 1.960 0.043) 2.775 16.968 ( 4.425 -0.155 -2.451) 5.061 18.327 ( 1.452 -2.630 1.684) 3.444 18.550 ( 1.932 0.551 -1.862) 2.739 19.028 ( 3.642 -7.876 6.435) 10.803 19.189 ( -1.762 -1.986 3.711) 4.563 19.498 ( -4.939 4.785 -0.914) 6.937 19.749 ( -7.406 10.115 -4.750) 13.406 19.829 ( -4.149 2.333 0.086) 4.761 19.844 ( -5.327 3.307 0.502) 6.290 20.869 ( -0.045 0.329 -2.346) 2.369 20.957 ( -1.419 1.355 -1.519) 2.481 21.032 ( -0.785 -5.589 5.374) 7.793 21.570 ( 5.395 0.447 -3.488) 6.440 24.564 ( -0.027 0.139 0.327) 0.356 24.602 ( 0.127 -0.072 -0.283) 0.319 25.375 ( 3.847 1.441 2.012) 4.575 25.419 ( 1.950 -7.257 4.225) 8.621 25.761 ( -4.157 -13.376 0.370) 14.012 26.380 ( 1.115 5.852 -5.782) 8.302 27.145 ( -3.455 -3.499 3.222) 5.880 27.220 ( 1.933 6.366 0.304) 6.660 27.391 ( -1.172 -4.441 -2.580) 5.269 28.273 ( -1.426 10.685 -22.607) 25.045 29.464 ( -0.611 -5.450 3.209) 6.354 29.677 ( 2.655 0.088 1.898) 3.265 29.984 ( 3.336 1.557 -5.478) 6.600 30.088 ( 2.669 -4.677 -1.986) 5.740 30.540 ( -1.027 2.732 -13.010) 13.333 30.636 ( 1.480 0.123 -10.709) 10.812 31.252 ( 5.123 2.052 14.116) 15.156 31.449 ( 5.265 -4.483 4.699) 8.361 31.722 ( -1.121 2.283 21.479) 21.629 31.913 ( -2.308 6.947 26.870) 27.850 32.403 ( 7.995 -15.098 -2.477) 17.263 34.134 ( -30.360 19.513 -9.060) 37.210 ======================= Grid point 113 (42/100) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 6.237 -4.378 2.552) 8.036 2.611 ( 0.016 4.103 -0.445) 4.128 2.811 ( 6.570 -7.098 1.895) 9.856 2.890 ( -2.169 2.128 2.307) 3.815 3.000 ( 2.513 -5.817 3.545) 7.261 3.093 ( -4.394 6.495 2.590) 8.259 3.143 ( -3.991 2.266 4.687) 6.560 3.296 ( 0.210 1.390 0.004) 1.406 3.375 ( -3.327 -1.526 2.756) 4.582 3.951 ( 5.080 -4.507 -10.171) 12.230 4.043 ( 1.026 -0.962 -7.008) 7.148 4.112 ( 0.383 4.049 -6.654) 7.799 4.402 ( 0.604 2.270 6.417) 6.833 4.438 ( 7.499 -8.756 2.224) 11.741 4.601 ( -3.575 -2.458 2.093) 4.817 4.605 ( -2.091 4.046 -2.061) 4.999 4.926 ( -1.841 11.455 2.350) 11.838 5.138 ( 9.511 -7.928 -1.404) 12.461 5.808 ( -5.476 -5.465 0.229) 7.740 6.433 ( 4.402 6.897 -5.085) 9.633 6.513 ( -1.984 -4.546 13.343) 14.235 7.093 ( 5.255 -4.538 -3.772) 7.902 7.160 ( -3.329 -0.558 -8.318) 8.977 7.309 ( -2.958 -2.034 1.364) 3.840 7.356 ( 1.968 -1.397 -1.810) 3.017 7.569 ( 2.297 -2.776 5.597) 6.657 7.691 ( -2.457 0.545 20.137) 20.293 7.854 ( -2.001 2.182 8.148) 8.670 8.112 ( -7.649 4.387 -3.465) 9.475 8.325 ( -3.278 1.293 5.299) 6.364 8.986 ( 2.180 -0.562 -0.664) 2.347 9.125 ( 2.915 -3.122 -5.100) 6.652 9.175 ( 2.871 5.554 -5.717) 8.472 9.466 ( -1.928 -1.032 -17.825) 17.959 9.916 ( 0.624 7.974 -9.912) 12.737 10.304 ( -2.456 -7.562 -14.861) 16.854 10.675 ( 0.815 6.560 13.634) 15.153 10.879 ( -8.474 2.377 0.065) 8.802 11.076 ( -1.845 2.235 5.684) 6.380 11.304 ( 2.087 4.176 0.309) 4.678 11.348 ( 2.920 -0.790 0.220) 3.034 11.475 ( -2.120 -5.933 8.809) 10.830 11.615 ( 7.053 3.648 12.603) 14.896 11.893 ( -5.120 -1.492 0.077) 5.334 12.014 ( -6.905 -1.030 4.825) 8.487 12.694 ( 1.993 -2.160 -11.406) 11.778 12.916 ( -6.441 -1.623 -17.444) 18.666 13.836 ( 6.622 4.344 -20.941) 22.388 14.486 ( -5.620 -0.989 18.412) 19.276 14.733 ( 0.131 -7.884 15.222) 17.143 15.557 ( 9.172 3.798 -2.246) 10.178 15.755 ( 0.530 0.733 -1.974) 2.171 16.464 ( 1.071 -2.538 0.529) 2.805 16.652 ( 4.617 0.681 -1.390) 4.869 16.809 ( -1.670 0.190 -0.734) 1.834 16.994 ( 2.361 1.276 -3.118) 4.114 18.378 ( 0.246 -2.315 1.215) 2.626 18.544 ( 0.582 1.569 -1.477) 2.232 19.154 ( -1.290 1.243 2.921) 3.426 19.209 ( 6.512 -2.249 1.409) 7.032 19.450 ( -1.692 -4.833 0.023) 5.120 19.523 ( -7.952 5.779 -2.079) 10.048 19.760 ( -2.412 1.293 0.491) 2.780 19.788 ( -2.928 -0.507 0.130) 2.974 20.819 ( -0.058 3.888 -2.124) 4.430 20.938 ( -1.240 0.041 -2.993) 3.240 21.123 ( 0.331 -4.394 6.543) 7.888 21.601 ( 2.960 0.825 -2.508) 3.966 24.566 ( -0.012 -0.365 0.297) 0.471 24.599 ( 0.060 0.464 -0.243) 0.527 25.374 ( 2.618 1.955 4.900) 5.889 25.501 ( -1.467 -2.255 6.420) 6.961 25.980 ( -1.340 -13.719 -3.597) 14.246 26.282 ( 0.523 6.528 -4.033) 7.691 27.095 ( 1.691 7.773 1.167) 8.040 27.195 ( -2.026 -3.737 2.774) 5.076 27.503 ( -1.054 -10.215 -6.174) 11.982 28.074 ( -1.192 10.484 -14.101) 17.612 29.540 ( 0.057 -3.584 2.227) 4.220 29.684 ( 1.556 1.408 1.687) 2.693 30.005 ( 2.803 -0.075 -7.561) 8.064 30.204 ( 2.338 -5.328 -4.412) 7.302 30.461 ( -1.780 4.682 -14.046) 14.913 30.614 ( -1.706 1.679 -7.812) 8.171 31.271 ( 3.608 0.685 21.452) 21.764 31.538 ( 1.951 -1.330 6.040) 6.485 31.604 ( -4.157 4.567 27.519) 28.204 31.879 ( 7.141 4.059 8.401) 11.750 32.815 ( 7.871 -23.153 -5.808) 25.135 33.532 ( -21.295 19.377 -8.833) 30.116 ======================= Grid point 114 (43/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -0.903 5.223 1.871) 5.621 2.549 ( -0.561 2.971 0.514) 3.067 2.778 ( -0.365 0.963 2.945) 3.120 2.855 ( -1.780 15.501 5.382) 16.505 3.005 ( 0.886 -8.086 1.546) 8.280 3.150 ( 0.165 -7.855 1.748) 8.049 3.190 ( 2.607 -5.981 5.014) 8.228 3.296 ( 1.020 0.931 -0.037) 1.381 3.364 ( -2.215 -0.722 2.536) 3.444 3.961 ( -0.394 8.355 -7.228) 11.055 4.022 ( 1.054 0.244 -9.882) 9.941 4.114 ( 2.246 -1.354 -7.532) 7.975 4.437 ( 2.513 -2.964 6.347) 7.443 4.484 ( -0.319 10.268 2.164) 10.498 4.562 ( -1.036 -2.662 1.019) 3.033 4.598 ( -3.632 -1.181 1.392) 4.065 4.701 ( -2.168 7.530 2.977) 8.383 5.380 ( 10.330 -5.898 -4.725) 12.799 5.833 ( -5.560 -4.137 0.005) 6.931 6.291 ( 1.880 11.551 -5.003) 12.728 6.591 ( -1.149 -4.753 14.668) 15.461 7.102 ( -1.282 2.643 -6.451) 7.088 7.222 ( 3.833 -2.886 -3.874) 6.166 7.309 ( -2.946 -1.987 -0.858) 3.655 7.418 ( 1.917 -3.710 -1.437) 4.416 7.563 ( 0.917 7.927 9.855) 12.681 7.701 ( 0.568 -3.549 15.957) 16.357 7.780 ( -7.069 -2.301 12.265) 14.342 8.056 ( -0.686 -0.409 -8.569) 8.606 8.345 ( -0.502 -6.088 8.795) 10.708 8.888 ( -2.096 7.349 -0.171) 7.644 9.185 ( 4.586 1.588 -7.477) 8.914 9.211 ( 3.175 -2.998 -7.550) 8.722 9.404 ( -4.864 4.189 -15.071) 16.381 9.807 ( -0.102 3.762 -5.216) 6.432 10.397 ( -0.970 -4.996 -15.698) 16.502 10.696 ( 2.789 -6.423 6.572) 9.603 10.820 ( -3.841 -2.442 -0.208) 4.556 11.079 ( 1.299 -2.772 6.030) 6.763 11.246 ( 2.417 6.632 -1.699) 7.261 11.348 ( -0.208 -0.858 2.393) 2.551 11.564 ( 3.827 -1.864 6.553) 7.814 11.644 ( 1.094 -1.896 14.681) 14.843 11.910 ( -0.353 -3.713 2.106) 4.284 12.003 ( -5.211 -4.703 4.608) 8.396 12.744 ( 5.063 1.027 -13.248) 14.219 12.914 ( -8.214 -7.314 -16.765) 20.051 13.807 ( 3.928 5.387 -20.220) 21.291 14.452 ( -3.746 -0.647 18.206) 18.599 14.797 ( -0.248 -0.736 16.149) 16.168 15.533 ( 5.502 9.024 -4.111) 11.340 15.735 ( -2.738 -0.435 -0.029) 2.773 16.513 ( 1.019 -1.824 0.621) 2.180 16.659 ( 5.132 3.495 -0.018) 6.209 16.769 ( -4.394 1.508 -1.525) 4.889 16.970 ( 0.437 2.970 -3.357) 4.504 18.406 ( -0.232 -0.677 0.713) 1.011 18.512 ( -0.121 2.178 -1.011) 2.405 19.077 ( 0.671 4.041 3.704) 5.523 19.307 ( 3.936 -1.669 -0.401) 4.294 19.395 ( -5.164 1.376 0.459) 5.364 19.608 ( 0.714 -11.881 -2.431) 12.148 19.746 ( -0.776 -1.657 0.591) 1.923 19.798 ( -1.042 -2.790 -0.273) 2.991 20.775 ( 0.177 0.794 -1.507) 1.713 20.913 ( -1.157 1.192 -3.741) 4.093 21.173 ( 0.257 -0.647 6.010) 6.050 21.596 ( 1.061 2.186 -1.733) 2.984 24.574 ( -0.020 -0.493 0.142) 0.514 24.589 ( 0.009 0.679 -0.099) 0.687 25.363 ( 1.798 1.702 6.834) 7.269 25.497 ( -3.153 -0.692 6.657) 7.398 26.123 ( 3.358 4.698 -3.575) 6.792 26.202 ( -3.019 -4.327 -5.038) 7.295 26.997 ( 0.861 4.100 2.167) 4.717 27.246 ( -0.474 -3.285 2.282) 4.028 27.715 ( -0.086 -14.292 -12.442) 18.949 27.899 ( -0.214 8.967 -8.943) 12.666 29.581 ( 0.165 -0.907 0.364) 0.991 29.664 ( 0.704 2.103 1.800) 2.856 30.018 ( 1.666 2.026 -12.573) 12.844 30.295 ( 2.185 -1.902 -8.130) 8.630 30.358 ( -2.288 4.285 -11.317) 12.315 30.577 ( -2.571 -0.746 0.107) 2.679 31.289 ( 2.224 1.444 25.136) 25.275 31.513 ( -1.713 1.714 22.591) 22.720 31.547 ( 0.405 2.010 1.100) 2.327 31.871 ( 3.783 2.658 14.544) 15.261 32.987 ( -5.924 17.986 -7.326) 20.304 33.424 ( 1.629 -31.647 -7.931) 32.666 ======================= Grid point 115 (44/100) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.000 19.404 6.243) 20.383 2.501 ( -0.000 1.834 0.241) 1.850 2.509 ( -0.000 23.099 6.813) 24.083 2.899 ( 0.000 -12.922 1.542) 13.014 3.161 ( 0.000 -9.627 -0.005) 9.627 3.232 ( -0.000 7.275 0.853) 7.324 3.266 ( 0.000 -2.901 1.710) 3.367 3.307 ( 0.000 -4.318 5.321) 6.852 3.354 ( -0.000 0.462 3.231) 3.264 3.873 ( 0.000 -0.039 -4.978) 4.978 4.017 ( -0.000 1.001 -7.375) 7.442 4.049 ( -0.000 12.856 -4.538) 13.634 4.206 ( -0.000 11.874 5.714) 13.178 4.544 ( 0.000 -4.794 5.453) 7.261 4.556 ( -0.000 1.824 0.685) 1.948 4.587 ( 0.000 -0.368 0.393) 0.538 4.701 ( 0.000 -5.281 -3.708) 6.453 5.484 ( 0.000 -0.186 -7.878) 7.880 5.876 ( 0.000 -4.977 -1.371) 5.163 6.115 ( -0.000 8.700 -3.053) 9.220 6.633 ( 0.000 -0.381 13.180) 13.185 7.043 ( -0.000 3.418 -7.200) 7.970 7.248 ( -0.000 2.826 -1.903) 3.407 7.324 ( 0.000 -1.265 -6.178) 6.306 7.416 ( -0.000 6.330 15.902) 17.116 7.516 ( 0.000 -5.060 -2.174) 5.507 7.769 ( 0.000 -4.105 16.554) 17.055 7.821 ( 0.000 -5.554 11.351) 12.637 8.054 ( -0.000 0.793 -10.398) 10.428 8.471 ( 0.000 -6.446 0.995) 6.522 8.791 ( -0.000 1.670 -1.002) 1.947 9.103 ( -0.000 10.951 -7.579) 13.317 9.294 ( -0.000 4.140 -15.782) 16.316 9.309 ( 0.000 -7.216 -2.765) 7.728 9.801 ( 0.000 -3.133 -1.038) 3.301 10.473 ( 0.000 -3.874 -18.091) 18.501 10.852 ( 0.000 -2.855 4.018) 4.929 10.897 ( 0.000 -14.364 6.620) 15.816 11.147 ( -0.000 4.520 1.427) 4.740 11.180 ( 0.000 -7.353 4.699) 8.727 11.401 ( 0.000 -5.056 1.789) 5.363 11.615 ( 0.000 -0.613 15.042) 15.054 11.694 ( 0.000 -4.842 3.229) 5.820 11.968 ( 0.000 -2.302 1.427) 2.708 12.076 ( 0.000 -6.217 4.741) 7.818 12.750 ( -0.000 0.941 -11.198) 11.238 13.004 ( 0.000 -7.230 -17.978) 19.377 13.718 ( -0.000 7.647 -19.392) 20.845 14.440 ( 0.000 -0.289 16.619) 16.622 14.787 ( -0.000 1.255 16.095) 16.144 15.374 ( -0.000 11.534 -3.573) 12.074 15.681 ( -0.000 5.967 0.269) 5.974 16.536 ( -0.000 0.145 0.289) 0.324 16.639 ( -0.000 2.802 1.122) 3.018 16.678 ( -0.000 4.684 -1.897) 5.054 16.910 ( -0.000 3.897 -3.265) 5.084 18.385 ( -0.000 3.115 0.623) 3.177 18.481 ( -0.000 1.170 -0.934) 1.497 19.051 ( -0.000 0.149 4.640) 4.642 19.307 ( -0.000 2.363 3.752) 4.434 19.413 ( 0.000 -5.512 -1.627) 5.748 19.796 ( 0.000 -4.975 0.106) 4.976 19.827 ( 0.000 -11.516 -4.213) 12.262 19.856 ( 0.000 -4.423 -0.571) 4.460 20.799 ( 0.000 -3.332 -2.219) 4.003 20.890 ( -0.000 0.232 -2.944) 2.953 21.147 ( -0.000 3.539 4.124) 5.434 21.546 ( -0.000 4.198 -0.914) 4.296 24.571 ( -0.000 0.678 0.155) 0.696 24.588 ( 0.000 -0.478 -0.113) 0.491 25.351 ( -0.000 1.030 6.947) 7.023 25.485 ( 0.000 -0.418 5.372) 5.388 25.986 ( -0.000 9.554 -2.478) 9.870 26.266 ( 0.000 -1.876 -7.182) 7.423 26.991 ( 0.000 -2.863 2.573) 3.849 27.289 ( 0.000 -1.884 2.001) 2.748 27.759 ( -0.000 7.372 -5.667) 9.299 27.946 ( 0.000 -11.072 -21.602) 24.274 29.579 ( -0.000 0.638 -1.146) 1.311 29.631 ( -0.000 2.131 2.254) 3.102 29.946 ( -0.000 7.379 -16.471) 18.048 30.263 ( -0.000 3.826 -10.572) 11.243 30.339 ( 0.000 -1.243 -4.586) 4.752 30.601 ( 0.000 -3.078 3.141) 4.398 31.231 ( -0.000 6.709 17.293) 18.549 31.494 ( 0.000 -0.295 16.048) 16.051 31.501 ( -0.000 4.158 1.553) 4.439 31.918 ( 0.000 -7.999 35.284) 36.179 32.634 ( -0.000 18.327 -5.985) 19.279 34.064 ( 0.000 -39.057 -8.403) 39.951 ======================= Grid point 120 (45/100) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 26.204 0.000 10.099) 28.083 2.246 ( 24.978 0.000 8.781) 26.476 2.662 ( 2.290 0.000 1.050) 2.519 2.851 ( 2.774 0.000 -3.174) 4.215 2.990 ( 2.265 0.000 6.588) 6.967 3.221 ( -0.873 -0.000 6.063) 6.126 3.290 ( -2.041 -0.000 6.183) 6.511 3.409 ( -17.343 -0.000 0.405) 17.348 3.600 ( -6.951 -0.000 1.679) 7.151 3.676 ( -0.311 -0.000 -6.175) 6.183 3.894 ( 21.143 0.000 6.269) 22.052 3.970 ( 0.720 0.000 -3.327) 3.404 4.098 ( -1.977 -0.000 -6.691) 6.977 4.519 ( -2.069 -0.000 2.334) 3.119 4.633 ( 1.736 0.000 2.948) 3.421 4.634 ( -1.660 -0.000 0.949) 1.912 4.814 ( 3.482 0.000 -1.509) 3.795 5.284 ( -4.044 -0.000 -9.869) 10.666 5.694 ( -6.072 -0.000 -2.145) 6.440 6.239 ( -2.931 -0.000 15.158) 15.439 6.655 ( 3.906 0.000 -16.128) 16.595 6.917 ( 5.975 0.000 -1.770) 6.231 7.021 ( 4.892 0.000 7.188) 8.695 7.174 ( -5.113 -0.000 -8.633) 10.033 7.344 ( -5.406 -0.000 1.307) 5.562 7.669 ( -4.956 -0.000 3.023) 5.806 7.726 ( -1.172 -0.000 -0.952) 1.509 7.812 ( -5.457 -0.000 23.135) 23.770 8.511 ( 4.415 0.000 -21.556) 22.004 8.629 ( -9.494 -0.000 -7.983) 12.405 8.644 ( 10.464 0.000 4.959) 11.579 9.105 ( 4.514 0.000 -0.033) 4.514 9.117 ( 5.206 0.000 -11.011) 12.180 9.721 ( 3.673 0.000 -22.551) 22.848 9.866 ( -14.271 -0.000 12.534) 18.994 10.323 ( -6.229 -0.000 -11.974) 13.497 10.957 ( -2.826 -0.000 11.265) 11.614 11.133 ( 4.497 0.000 14.610) 15.286 11.162 ( -13.243 -0.000 -1.343) 13.310 11.272 ( -14.661 -0.000 2.659) 14.900 11.488 ( -2.504 -0.000 0.990) 2.692 11.555 ( -5.544 -0.000 13.597) 14.684 11.589 ( 1.417 0.000 4.517) 4.734 12.010 ( -1.622 -0.000 -6.218) 6.426 12.134 ( -6.908 -0.000 9.398) 11.664 12.564 ( -0.112 -0.000 -8.444) 8.445 13.075 ( 1.577 0.000 -15.177) 15.259 13.900 ( 8.098 0.000 -19.237) 20.872 14.152 ( 3.832 0.000 15.764) 16.223 14.512 ( -6.433 -0.000 17.799) 18.925 15.629 ( 6.767 0.000 -8.859) 11.148 15.697 ( 18.730 0.000 -5.757) 19.595 16.361 ( -0.360 -0.000 -1.205) 1.257 16.467 ( 2.699 0.000 -1.312) 3.001 16.885 ( 3.412 0.000 -0.086) 3.413 16.965 ( 5.277 0.000 -1.728) 5.553 18.276 ( 2.408 0.000 2.278) 3.315 18.559 ( 3.136 0.000 -2.278) 3.876 18.863 ( 3.648 0.000 10.665) 11.272 19.133 ( -3.906 -0.000 6.527) 7.607 19.587 ( -7.987 -0.000 -3.418) 8.687 19.869 ( -4.829 -0.000 0.035) 4.829 19.881 ( -4.659 -0.000 -0.393) 4.675 20.116 ( -9.031 -0.000 -8.881) 12.666 20.791 ( 0.616 0.000 8.882) 8.903 20.845 ( -0.522 -0.000 0.624) 0.814 21.054 ( -2.053 -0.000 -3.588) 4.133 21.588 ( 6.231 0.000 -4.905) 7.930 24.577 ( -0.037 -0.000 0.113) 0.119 24.590 ( 0.127 0.000 -0.105) 0.165 25.140 ( 4.198 0.000 3.748) 5.627 25.453 ( 4.754 0.000 -1.655) 5.033 25.532 ( -2.530 -0.000 7.086) 7.524 26.493 ( 0.048 0.000 -7.966) 7.966 27.053 ( -4.123 -0.000 4.718) 6.266 27.330 ( 2.333 0.000 -0.534) 2.393 27.354 ( 0.119 0.000 0.035) 0.124 28.506 ( -2.611 -0.000 -33.462) 33.564 29.319 ( 0.967 0.000 4.064) 4.178 29.673 ( 3.694 0.000 3.844) 5.331 29.926 ( -3.394 -0.000 -5.238) 6.242 30.159 ( 8.313 0.000 -0.894) 8.361 30.570 ( -0.742 -0.000 -12.700) 12.722 30.597 ( 4.197 0.000 -4.273) 5.990 31.324 ( 6.976 0.000 3.662) 7.879 31.350 ( 8.054 0.000 3.478) 8.773 31.691 ( 0.065 0.000 9.322) 9.322 32.086 ( -19.979 -0.000 50.768) 54.558 32.182 ( 15.304 0.000 -2.179) 15.458 34.499 ( -36.447 -0.000 -8.809) 37.497 ======================= Grid point 121 (46/100) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 21.575 -0.165 5.480) 22.261 2.515 ( 17.289 -5.847 7.387) 19.689 2.717 ( 2.268 -2.606 1.335) 3.704 2.827 ( 0.014 3.197 0.463) 3.230 2.982 ( -5.314 -0.590 3.769) 6.541 3.194 ( -8.073 0.908 1.753) 8.311 3.237 ( -8.414 0.476 3.408) 9.091 3.287 ( -3.907 -2.493 4.370) 6.370 3.465 ( -2.806 6.657 1.260) 7.333 3.761 ( 3.093 -5.755 -5.649) 8.637 3.992 ( 0.694 -1.672 -3.940) 4.335 4.080 ( -2.810 -1.387 -7.400) 8.036 4.162 ( 20.706 -4.594 5.142) 21.824 4.516 ( -1.507 -1.520 3.412) 4.028 4.606 ( 0.782 4.325 3.062) 5.356 4.643 ( -1.904 -2.109 -0.164) 2.846 4.876 ( 1.409 -4.380 -1.088) 4.728 5.213 ( -1.568 4.628 -6.663) 8.263 5.660 ( -3.920 -2.105 0.042) 4.450 6.257 ( -2.073 -4.715 16.416) 17.205 6.663 ( 2.842 2.613 -14.825) 15.319 6.962 ( 4.553 -0.715 -2.363) 5.180 7.132 ( -3.485 -0.750 -7.406) 8.219 7.146 ( 3.802 -7.094 7.505) 11.005 7.301 ( -4.530 -0.967 1.241) 4.795 7.570 ( -3.141 4.216 -0.342) 5.269 7.731 ( -1.447 0.532 16.505) 16.577 7.798 ( -3.200 -3.982 10.662) 11.823 8.417 ( -4.502 8.404 -10.580) 14.242 8.492 ( -4.980 5.422 -4.810) 8.795 8.833 ( 8.694 -5.868 -1.294) 10.568 9.093 ( 2.449 3.187 0.059) 4.020 9.222 ( 5.362 -4.511 -12.248) 14.110 9.581 ( -4.873 9.810 -5.444) 12.232 9.910 ( 0.153 -8.745 -11.939) 14.800 10.250 ( -4.765 3.359 -17.345) 18.299 10.973 ( -8.889 -0.895 0.009) 8.934 11.047 ( -2.875 -2.394 7.848) 8.694 11.113 ( 1.791 5.428 15.723) 16.730 11.142 ( -8.472 1.177 3.925) 9.411 11.425 ( -2.363 3.252 2.917) 4.967 11.485 ( -3.845 1.748 7.839) 8.904 11.634 ( 5.517 -0.945 8.592) 10.255 11.958 ( -2.667 3.749 -3.079) 5.536 12.054 ( -6.364 1.397 8.554) 10.753 12.577 ( -0.798 -1.836 -8.946) 9.168 13.049 ( 1.273 4.513 -15.507) 16.200 13.955 ( 5.789 1.911 -20.698) 21.577 14.286 ( 2.158 -11.400 17.049) 20.622 14.458 ( -5.135 -0.478 19.082) 19.766 15.666 ( 4.734 2.117 -7.115) 8.804 15.840 ( 12.484 2.327 -6.813) 14.411 16.375 ( -0.047 -1.898 -0.696) 2.022 16.529 ( 1.979 -4.266 -2.114) 5.156 16.890 ( 1.980 2.436 0.005) 3.139 17.012 ( 4.041 0.035 -2.120) 4.564 18.308 ( 1.472 -1.293 2.100) 2.872 18.580 ( 1.919 0.584 -2.241) 3.007 18.948 ( 4.090 -5.136 8.025) 10.369 19.114 ( -3.775 -2.692 5.324) 7.060 19.508 ( -4.216 1.829 -3.043) 5.512 19.810 ( -3.418 1.961 -0.255) 3.949 19.825 ( -3.396 1.766 -0.322) 3.841 19.915 ( -7.519 11.428 -5.192) 14.632 20.842 ( 0.120 -2.733 2.766) 3.890 20.893 ( 0.374 -6.250 4.955) 7.985 21.010 ( -1.432 2.794 -1.982) 3.713 21.632 ( 4.155 0.840 -4.773) 6.384 24.569 ( -0.037 0.521 0.240) 0.575 24.598 ( 0.103 -0.475 -0.218) 0.533 25.283 ( 4.040 -10.487 2.938) 11.616 25.453 ( 2.872 2.606 2.120) 4.420 25.559 ( -3.444 -4.677 4.451) 7.317 26.464 ( -0.062 3.094 -6.107) 6.847 27.044 ( -3.366 -3.237 4.459) 6.457 27.327 ( 1.895 3.140 -0.499) 3.701 27.353 ( 0.024 -0.052 -0.493) 0.496 28.408 ( -3.197 6.926 -25.275) 26.401 29.369 ( 0.170 -4.415 3.557) 5.672 29.705 ( 2.672 0.101 3.393) 4.320 29.933 ( -2.158 -3.755 -6.500) 7.811 30.177 ( 6.454 4.890 2.429) 8.454 30.552 ( -1.240 1.077 -15.373) 15.461 30.659 ( 2.839 -1.548 -7.297) 7.982 31.345 ( 4.049 3.373 7.835) 9.443 31.444 ( 5.700 -2.507 4.619) 7.754 31.714 ( -2.070 -0.801 23.145) 23.252 31.926 ( -6.920 -0.595 24.775) 25.730 32.360 ( 14.596 -2.906 -2.968) 15.175 34.075 ( -30.393 9.315 -9.483) 33.173 ======================= Grid point 122 (47/100) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 8.637 2.260 2.380) 9.240 2.698 ( 0.239 5.499 -1.412) 5.682 2.751 ( 6.829 -6.585 3.411) 10.081 2.851 ( 0.640 -5.630 4.201) 7.054 2.956 ( 0.139 -0.746 5.231) 5.286 3.061 ( -9.929 0.643 0.928) 9.993 3.202 ( 0.167 2.567 4.827) 5.470 3.298 ( -3.530 -2.950 2.435) 5.205 3.344 ( -0.606 4.875 1.445) 5.120 3.913 ( 5.586 -6.227 -6.612) 10.663 4.022 ( -0.669 -1.391 -8.368) 8.509 4.094 ( -2.729 -3.634 -5.384) 7.046 4.399 ( 8.012 -4.653 3.572) 9.930 4.499 ( -0.102 7.092 3.434) 7.881 4.540 ( -0.597 -1.687 4.381) 4.732 4.638 ( -1.223 1.409 -2.589) 3.191 5.017 ( 1.063 -9.194 -1.008) 9.310 5.105 ( 1.997 6.385 -1.949) 6.968 5.684 ( -2.547 -3.955 1.759) 5.022 6.348 ( -1.093 -7.316 18.051) 19.508 6.619 ( 1.774 5.611 -12.001) 13.366 7.051 ( 3.810 -4.630 -4.347) 7.406 7.119 ( -2.360 -1.370 -7.194) 7.695 7.254 ( -1.732 -1.181 0.002) 2.096 7.333 ( 1.556 -5.162 4.492) 7.018 7.508 ( -1.379 -1.239 1.854) 2.622 7.694 ( -1.163 1.649 21.542) 21.636 7.867 ( 1.493 -4.683 8.223) 9.580 8.172 ( -6.718 13.644 -0.103) 15.209 8.345 ( -3.571 4.926 -1.875) 6.366 8.993 ( 5.814 -3.711 -4.529) 8.251 9.092 ( 0.296 -1.670 -2.508) 3.027 9.312 ( 4.393 4.642 -7.836) 10.112 9.414 ( -3.994 -0.061 -13.870) 14.434 10.042 ( 2.038 1.138 -18.919) 19.062 10.152 ( -3.323 -3.026 -13.950) 14.656 10.838 ( -4.285 4.932 1.252) 6.652 10.902 ( -0.319 13.450 19.005) 23.284 11.065 ( -3.527 0.509 4.897) 6.056 11.237 ( -0.544 -12.451 2.230) 12.661 11.376 ( 1.079 2.440 -1.129) 2.897 11.432 ( -1.517 1.280 9.362) 9.571 11.718 ( 7.465 -0.872 9.450) 12.074 11.857 ( -4.429 2.713 2.561) 5.791 11.957 ( -5.561 2.879 5.655) 8.437 12.616 ( -0.980 -4.224 -10.530) 11.387 12.959 ( 0.258 6.437 -16.110) 17.351 13.951 ( 3.154 3.451 -21.408) 21.912 14.427 ( -3.104 -0.716 19.744) 19.999 14.537 ( 0.637 -14.337 16.539) 21.898 15.663 ( 3.124 2.104 -3.036) 4.838 15.851 ( 4.207 5.983 -6.815) 9.996 16.421 ( 0.249 -3.032 0.030) 3.042 16.634 ( 1.471 -5.291 -2.857) 6.191 16.847 ( 0.436 3.878 0.374) 3.921 17.036 ( 1.966 0.848 -2.748) 3.484 18.345 ( 0.428 -1.895 1.658) 2.554 18.576 ( 0.636 1.349 -2.003) 2.497 19.088 ( 1.775 -5.612 5.313) 7.929 19.172 ( -0.096 -7.507 2.241) 7.835 19.448 ( -0.245 2.483 -2.132) 3.282 19.609 ( -5.460 13.600 -2.338) 14.840 19.766 ( -1.962 0.956 0.284) 2.201 19.769 ( -1.844 2.040 0.297) 2.766 20.872 ( 0.174 0.515 -1.435) 1.535 20.935 ( -0.647 2.062 -0.884) 2.335 21.027 ( 0.076 -6.695 6.568) 9.379 21.644 ( 1.946 1.162 -3.918) 4.526 24.563 ( -0.020 0.116 0.356) 0.375 24.604 ( 0.051 -0.045 -0.295) 0.303 25.437 ( 2.165 1.965 2.404) 3.786 25.464 ( 1.727 -2.489 7.622) 8.201 25.676 ( -3.297 -16.357 -0.929) 16.712 26.393 ( 0.259 5.222 -4.607) 6.969 27.092 ( -1.526 -4.914 3.524) 6.236 27.251 ( 0.915 7.205 -0.045) 7.263 27.377 ( -0.296 -3.670 -2.198) 4.288 28.238 ( -1.345 9.713 -18.008) 20.504 29.457 ( -0.115 -5.480 3.232) 6.363 29.717 ( 1.154 0.836 2.680) 3.035 29.991 ( -0.476 -3.604 -6.250) 7.231 30.176 ( 3.510 -0.138 2.200) 4.145 30.502 ( -1.712 3.051 -16.758) 17.119 30.669 ( 1.053 2.848 -11.795) 12.179 31.320 ( 1.723 2.254 15.700) 15.954 31.533 ( 2.998 -2.372 6.721) 7.732 31.632 ( -4.164 3.794 32.464) 32.949 31.972 ( 3.285 -1.909 5.050) 6.319 32.582 ( 7.989 -11.033 -4.577) 14.370 33.627 ( -17.124 14.264 -9.444) 24.204 ======================= Grid point 123 (48/100) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -0.000 0.605 1.952) 2.044 2.609 ( -0.000 4.466 -0.321) 4.478 2.872 ( -0.000 6.313 1.727) 6.545 2.884 ( 0.000 -5.813 1.923) 6.123 3.005 ( 0.000 -8.187 1.684) 8.359 3.042 ( -0.000 3.155 4.398) 5.413 3.130 ( -0.000 1.139 7.773) 7.856 3.303 ( -0.000 0.254 0.537) 0.594 3.326 ( 0.000 -2.217 1.623) 2.748 4.025 ( 0.000 -0.511 -11.724) 11.735 4.053 ( 0.000 -3.654 -9.089) 9.796 4.105 ( -0.000 2.149 -4.530) 5.014 4.405 ( -0.000 1.118 6.781) 6.872 4.497 ( 0.000 -3.721 2.505) 4.486 4.564 ( 0.000 -1.119 3.540) 3.713 4.582 ( -0.000 3.740 -2.179) 4.329 4.903 ( -0.000 12.855 2.350) 13.069 5.278 ( 0.000 -12.136 -3.716) 12.693 5.735 ( 0.000 -3.820 2.214) 4.415 6.474 ( 0.000 -7.574 17.975) 19.505 6.494 ( -0.000 9.911 -8.390) 12.985 7.120 ( -0.000 0.207 -7.879) 7.882 7.173 ( 0.000 -5.914 -5.227) 7.893 7.252 ( 0.000 -1.114 0.074) 1.116 7.382 ( 0.000 -1.289 -4.366) 4.552 7.601 ( 0.000 -7.621 10.870) 13.275 7.662 ( -0.000 1.537 21.765) 21.819 7.857 ( -0.000 14.609 5.184) 15.501 7.994 ( 0.000 -5.994 4.217) 7.328 8.277 ( -0.000 0.308 1.919) 1.943 9.013 ( -0.000 5.812 -2.926) 6.507 9.152 ( 0.000 -4.619 -5.171) 6.934 9.232 ( -0.000 2.223 -7.467) 7.791 9.432 ( -0.000 0.352 -17.748) 17.752 9.919 ( -0.000 8.525 -11.158) 14.042 10.283 ( 0.000 -8.240 -16.625) 18.555 10.699 ( -0.000 6.349 15.209) 16.481 10.777 ( -0.000 0.589 -1.041) 1.196 11.052 ( 0.000 -0.726 6.245) 6.287 11.347 ( -0.000 1.346 -0.458) 1.422 11.378 ( -0.000 4.945 4.262) 6.528 11.438 ( 0.000 -10.347 1.425) 10.444 11.727 ( -0.000 5.684 15.032) 16.071 11.851 ( 0.000 -4.301 4.872) 6.499 11.894 ( 0.000 -1.531 3.443) 3.768 12.715 ( 0.000 -7.751 -13.361) 15.446 12.851 ( -0.000 5.461 -15.690) 16.613 13.903 ( -0.000 3.935 -20.861) 21.228 14.422 ( 0.000 -0.683 19.540) 19.552 14.736 ( 0.000 -7.404 15.777) 17.428 15.678 ( 0.000 -1.881 -0.136) 1.886 15.733 ( -0.000 9.086 -6.099) 10.944 16.476 ( 0.000 -2.959 0.489) 2.999 16.719 ( 0.000 -2.999 -2.992) 4.237 16.772 ( -0.000 4.540 0.788) 4.607 17.019 ( -0.000 2.174 -3.210) 3.877 18.380 ( 0.000 -1.925 1.211) 2.274 18.550 ( -0.000 1.991 -1.577) 2.540 19.144 ( -0.000 0.423 2.969) 2.999 19.337 ( 0.000 -6.577 0.095) 6.578 19.369 ( -0.000 7.226 0.193) 7.228 19.443 ( 0.000 -3.523 -1.468) 3.817 19.734 ( -0.000 0.749 0.449) 0.873 19.757 ( 0.000 -1.060 0.115) 1.066 20.819 ( -0.000 3.835 -1.632) 4.168 20.923 ( -0.000 0.312 -2.556) 2.575 21.128 ( 0.000 -4.550 6.668) 8.072 21.632 ( -0.000 1.388 -2.777) 3.105 24.565 ( 0.000 -0.371 0.312) 0.485 24.600 ( -0.000 0.491 -0.245) 0.549 25.410 ( -0.000 2.431 4.757) 5.342 25.476 ( 0.000 -0.162 8.388) 8.389 25.965 ( 0.000 -16.102 -4.203) 16.641 26.287 ( -0.000 7.300 -3.790) 8.225 27.115 ( -0.000 8.269 1.005) 8.330 27.172 ( 0.000 -4.841 2.709) 5.547 27.493 ( 0.000 -10.299 -6.066) 11.953 28.061 ( -0.000 9.952 -12.782) 16.199 29.541 ( 0.000 -3.872 2.162) 4.435 29.701 ( -0.000 1.658 2.123) 2.693 30.030 ( 0.000 -1.118 -6.988) 7.076 30.247 ( 0.000 -4.809 -1.521) 5.043 30.423 ( -0.000 4.693 -16.050) 16.722 30.602 ( -0.000 4.271 -9.814) 10.703 31.307 ( -0.000 0.366 22.409) 22.412 31.546 ( -0.000 3.197 28.621) 28.799 31.574 ( -0.000 0.016 3.866) 3.866 31.966 ( -0.000 4.444 6.185) 7.616 32.928 ( 0.000 -24.460 -6.476) 25.302 33.270 ( -0.000 17.333 -8.639) 19.366 ======================= Grid point 131 (49/100) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 21.527 0.000 3.985) 21.893 2.612 ( 10.823 0.000 6.774) 12.769 2.706 ( 1.707 0.000 8.879) 9.042 2.867 ( -0.194 -0.000 -1.805) 1.815 2.927 ( -3.905 -0.000 1.043) 4.042 3.044 ( -18.448 -0.000 3.419) 18.762 3.193 ( -1.582 -0.000 4.211) 4.499 3.236 ( -2.279 -0.000 3.803) 4.434 3.511 ( -2.056 -0.000 2.458) 3.204 3.733 ( 4.245 0.000 -3.342) 5.403 3.982 ( 0.452 0.000 -4.257) 4.281 4.023 ( -4.566 -0.000 -10.345) 11.308 4.317 ( 14.798 0.000 4.218) 15.387 4.495 ( -0.297 -0.000 4.988) 4.996 4.594 ( -1.608 -0.000 2.221) 2.742 4.645 ( -0.420 -0.000 2.638) 2.672 4.857 ( 0.748 0.000 -2.353) 2.469 5.238 ( -0.882 -0.000 -7.933) 7.981 5.611 ( -2.188 -0.000 0.640) 2.279 6.203 ( -0.689 -0.000 16.537) 16.551 6.697 ( 0.609 0.000 -15.881) 15.893 7.001 ( 2.469 0.000 -1.710) 3.004 7.092 ( -2.649 -0.000 -7.170) 7.644 7.106 ( 3.193 0.000 8.698) 9.265 7.251 ( -3.399 -0.000 -0.140) 3.402 7.600 ( -1.849 -0.000 4.502) 4.867 7.705 ( -0.703 -0.000 1.525) 1.679 7.737 ( -1.923 -0.000 23.496) 23.574 8.463 ( -3.553 -0.000 -11.797) 12.321 8.480 ( -4.417 -0.000 -6.256) 7.659 8.865 ( 7.161 0.000 -2.983) 7.757 9.173 ( 2.034 0.000 2.091) 2.917 9.201 ( 2.528 0.000 -10.845) 11.136 9.695 ( -3.812 -0.000 2.265) 4.434 9.759 ( 0.558 0.000 -19.403) 19.411 10.262 ( -0.823 -0.000 -22.463) 22.478 10.880 ( -2.946 -0.000 3.773) 4.787 10.955 ( -6.258 -0.000 1.123) 6.358 11.074 ( -5.119 -0.000 2.263) 5.597 11.219 ( 2.713 0.000 14.650) 14.899 11.439 ( -1.466 -0.000 -1.686) 2.234 11.473 ( -2.065 -0.000 17.515) 17.637 11.674 ( 4.184 0.000 8.851) 9.790 11.988 ( -0.582 -0.000 -6.138) 6.166 12.003 ( -5.073 -0.000 13.607) 14.522 12.560 ( -0.181 -0.000 -8.857) 8.859 13.101 ( 0.776 0.000 -14.803) 14.823 14.005 ( 2.597 0.000 -15.445) 15.662 14.211 ( 1.769 0.000 13.512) 13.628 14.414 ( -2.877 -0.000 20.003) 20.209 15.719 ( 2.470 0.000 -9.573) 9.887 15.967 ( 7.236 0.000 -8.322) 11.028 16.356 ( -0.124 -0.000 -1.345) 1.351 16.503 ( 0.897 0.000 -2.073) 2.259 16.929 ( 1.119 0.000 -0.038) 1.119 17.043 ( 2.189 0.000 -2.061) 3.007 18.309 ( 0.863 0.000 2.338) 2.492 18.602 ( 1.110 0.000 -2.408) 2.651 18.946 ( 4.611 0.000 7.301) 8.635 19.045 ( -4.776 -0.000 6.698) 8.227 19.491 ( -2.022 -0.000 -3.874) 4.370 19.799 ( -1.937 -0.000 0.103) 1.940 19.814 ( -1.832 -0.000 -0.079) 1.834 19.968 ( -4.645 -0.000 -7.225) 8.589 20.801 ( 0.262 0.000 9.997) 10.001 20.850 ( 0.518 0.000 1.170) 1.279 21.027 ( -0.689 -0.000 -1.993) 2.109 21.671 ( 2.132 0.000 -5.249) 5.665 24.576 ( -0.015 -0.000 0.126) 0.127 24.592 ( 0.050 0.000 -0.128) 0.137 25.212 ( 2.440 0.000 3.414) 4.197 25.480 ( -1.957 -0.000 9.547) 9.746 25.524 ( 2.020 0.000 -1.775) 2.689 26.487 ( -0.312 -0.000 -5.988) 5.996 26.986 ( -2.022 -0.000 5.162) 5.544 27.358 ( 0.194 0.000 -0.110) 0.223 27.369 ( 1.231 0.000 -0.540) 1.344 28.437 ( -2.688 -0.000 -24.269) 24.417 29.334 ( 0.411 0.000 3.461) 3.485 29.728 ( 1.540 0.000 4.098) 4.378 29.880 ( -1.203 -0.000 -8.184) 8.272 30.283 ( 3.579 0.000 5.718) 6.746 30.554 ( -0.662 -0.000 -17.502) 17.514 30.655 ( 1.546 0.000 -4.291) 4.561 31.418 ( 2.399 0.000 3.617) 4.341 31.471 ( 3.694 0.000 3.276) 4.938 31.690 ( -0.149 -0.000 28.219) 28.220 31.831 ( -6.429 -0.000 18.795) 19.864 32.494 ( 12.725 0.000 -3.152) 13.109 33.890 ( -20.604 -0.000 -9.964) 22.887 ======================= Grid point 132 (50/100) ======================= q-point: ( 0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -0.000 6.526 0.374) 6.536 2.712 ( 0.000 -2.487 1.119) 2.727 2.750 ( 0.000 -4.301 13.811) 14.465 2.811 ( -0.000 5.371 -0.622) 5.407 2.947 ( 0.000 -2.879 -0.713) 2.966 2.949 ( 0.000 -3.082 6.318) 7.029 3.218 ( 0.000 -3.311 2.827) 4.354 3.223 ( -0.000 0.192 3.410) 3.416 3.439 ( -0.000 5.763 2.461) 6.266 3.830 ( 0.000 -6.698 -1.439) 6.851 3.999 ( 0.000 -0.605 -12.860) 12.875 4.011 ( 0.000 -2.838 -3.737) 4.692 4.403 ( 0.000 -1.129 4.216) 4.364 4.509 ( 0.000 -1.561 5.314) 5.539 4.601 ( -0.000 2.474 1.364) 2.825 4.622 ( 0.000 -0.806 1.454) 1.663 4.889 ( 0.000 -4.276 -2.587) 4.998 5.204 ( -0.000 3.589 -5.792) 6.814 5.619 ( 0.000 -2.206 1.494) 2.664 6.239 ( 0.000 -4.399 17.469) 18.015 6.686 ( -0.000 1.790 -14.814) 14.922 7.015 ( 0.000 -1.356 -2.371) 2.732 7.086 ( 0.000 -0.892 -6.917) 6.974 7.207 ( 0.000 -7.972 9.138) 12.127 7.236 ( 0.000 -0.399 -1.187) 1.252 7.536 ( -0.000 4.088 0.836) 4.172 7.716 ( -0.000 1.317 22.904) 22.942 7.768 ( 0.000 -5.780 5.777) 8.173 8.362 ( -0.000 9.499 -5.562) 11.008 8.411 ( -0.000 4.606 -4.965) 6.773 8.948 ( 0.000 -4.663 -5.753) 7.405 9.116 ( -0.000 4.157 1.629) 4.465 9.285 ( 0.000 -5.754 -13.545) 14.717 9.524 ( -0.000 10.816 -4.362) 11.663 9.913 ( 0.000 -10.645 -14.583) 18.055 10.212 ( -0.000 5.138 -22.144) 22.732 10.864 ( -0.000 2.049 -0.671) 2.156 11.008 ( 0.000 -10.159 5.073) 11.355 11.051 ( 0.000 -0.813 1.863) 2.033 11.146 ( -0.000 10.632 19.369) 22.095 11.418 ( -0.000 1.524 -4.331) 4.592 11.436 ( -0.000 1.501 16.089) 16.159 11.718 ( 0.000 -2.390 8.013) 8.362 11.909 ( -0.000 5.365 6.787) 8.651 11.985 ( -0.000 1.889 2.633) 3.241 12.568 ( 0.000 -1.215 -9.309) 9.388 13.064 ( -0.000 4.644 -15.220) 15.913 14.012 ( -0.000 1.522 -20.038) 20.096 14.310 ( 0.000 -10.611 17.240) 20.244 14.402 ( 0.000 -0.363 20.253) 20.256 15.714 ( -0.000 1.908 -7.440) 7.681 15.968 ( -0.000 3.964 -8.341) 9.236 16.375 ( 0.000 -2.115 -0.821) 2.269 16.549 ( 0.000 -4.487 -2.592) 5.182 16.910 ( -0.000 2.727 0.158) 2.732 17.054 ( -0.000 0.097 -2.317) 2.319 18.322 ( 0.000 -1.035 2.101) 2.342 18.599 ( -0.000 0.884 -2.312) 2.475 19.031 ( 0.000 -2.956 8.250) 8.764 19.036 ( 0.000 -5.690 3.430) 6.644 19.472 ( -0.000 1.029 -3.744) 3.883 19.776 ( -0.000 1.288 0.236) 1.310 19.792 ( -0.000 1.465 0.032) 1.466 19.826 ( -0.000 12.313 -4.709) 13.182 20.844 ( 0.000 -2.845 4.082) 4.976 20.899 ( 0.000 -5.820 4.782) 7.533 20.996 ( -0.000 2.848 -1.267) 3.117 21.673 ( -0.000 0.929 -4.943) 5.030 24.569 ( -0.000 0.528 0.252) 0.585 24.599 ( 0.000 -0.480 -0.230) 0.532 25.337 ( 0.000 -11.838 1.808) 11.975 25.471 ( 0.000 -0.116 9.864) 9.864 25.523 ( -0.000 0.697 -0.936) 1.167 26.462 ( -0.000 2.725 -5.308) 5.967 27.007 ( 0.000 -3.470 4.610) 5.770 27.346 ( -0.000 2.522 -0.596) 2.591 27.356 ( -0.000 1.044 -0.454) 1.138 28.368 ( -0.000 6.049 -21.426) 22.263 29.371 ( 0.000 -3.932 3.396) 5.196 29.734 ( -0.000 0.326 3.691) 3.706 29.911 ( 0.000 -4.007 -7.882) 8.842 30.246 ( -0.000 4.786 6.268) 7.887 30.537 ( -0.000 1.665 -18.538) 18.613 30.688 ( 0.000 -1.371 -7.283) 7.411 31.385 ( -0.000 3.952 8.418) 9.300 31.509 ( 0.000 -2.086 3.894) 4.418 31.666 ( -0.000 2.606 36.685) 36.778 31.879 ( 0.000 -7.698 5.587) 9.512 32.559 ( 0.000 -0.170 -3.457) 3.462 33.717 ( -0.000 7.335 -10.013) 12.412 ======================= Grid point 178 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 0.000 32.487) 32.487 1.509 ( 0.000 0.000 33.942) 33.942 2.327 ( 0.000 0.000 -12.898) 12.898 2.432 ( 0.000 0.000 -14.392) 14.392 2.694 ( 0.000 0.000 66.611) 66.611 3.445 ( 0.000 0.000 12.440) 12.440 3.460 ( 0.000 0.000 14.021) 14.021 3.847 ( 0.000 0.000 -6.711) 6.711 3.854 ( 0.000 0.000 -6.029) 6.029 3.912 ( 0.000 0.000 0.813) 0.813 3.979 ( 0.000 0.000 -2.260) 2.260 4.073 ( 0.000 0.000 2.436) 2.436 4.205 ( 0.000 0.000 -4.450) 4.450 4.459 ( 0.000 0.000 1.184) 1.184 4.475 ( 0.000 0.000 -0.832) 0.832 4.541 ( 0.000 0.000 0.798) 0.798 4.630 ( 0.000 0.000 -2.620) 2.620 4.908 ( 0.000 0.000 -44.836) 44.836 6.040 ( 0.000 0.000 -8.454) 8.454 6.110 ( 0.000 0.000 -12.598) 12.598 6.337 ( 0.000 0.000 6.597) 6.597 6.573 ( 0.000 0.000 7.025) 7.025 6.660 ( 0.000 0.000 -4.916) 4.916 6.940 ( 0.000 0.000 15.450) 15.450 7.053 ( 0.000 0.000 -15.251) 15.251 7.738 ( 0.000 0.000 16.982) 16.982 7.759 ( 0.000 0.000 -17.673) 17.673 8.172 ( 0.000 0.000 16.660) 16.660 8.376 ( 0.000 0.000 -3.465) 3.465 8.623 ( 0.000 0.000 3.342) 3.342 8.631 ( 0.000 0.000 -0.344) 0.344 8.718 ( 0.000 0.000 7.580) 7.580 8.792 ( 0.000 0.000 -9.279) 9.279 8.992 ( 0.000 0.000 -21.478) 21.478 11.232 ( 0.000 0.000 22.759) 22.759 11.340 ( 0.000 0.000 30.977) 30.977 11.516 ( 0.000 0.000 12.524) 12.524 11.613 ( 0.000 0.000 -4.802) 4.802 11.658 ( 0.000 0.000 9.589) 9.589 11.777 ( 0.000 0.000 5.864) 5.864 11.781 ( 0.000 0.000 1.407) 1.407 11.909 ( 0.000 0.000 -10.775) 10.775 11.974 ( 0.000 0.000 -2.100) 2.100 12.129 ( 0.000 0.000 -14.313) 14.313 12.498 ( 0.000 0.000 7.259) 7.259 12.596 ( 0.000 0.000 -24.882) 24.882 12.690 ( 0.000 0.000 -4.080) 4.080 12.727 ( 0.000 0.000 -27.794) 27.794 14.342 ( 0.000 0.000 21.144) 21.144 14.618 ( 0.000 0.000 6.362) 6.362 14.769 ( 0.000 0.000 0.206) 0.206 15.118 ( 0.000 0.000 -16.808) 16.808 16.316 ( 0.000 0.000 -0.054) 0.054 16.343 ( 0.000 0.000 -1.538) 1.538 16.632 ( 0.000 0.000 -0.054) 0.054 16.642 ( 0.000 0.000 -0.645) 0.645 18.192 ( 0.000 0.000 3.402) 3.402 18.331 ( 0.000 0.000 -3.232) 3.232 19.160 ( 0.000 0.000 24.551) 24.551 19.452 ( 0.000 0.000 15.374) 15.374 20.056 ( 0.000 0.000 -9.493) 9.493 20.074 ( 0.000 0.000 -19.203) 19.203 20.095 ( 0.000 0.000 -0.208) 0.208 20.116 ( 0.000 0.000 -5.318) 5.318 20.859 ( 0.000 0.000 1.948) 1.948 20.961 ( 0.000 0.000 -3.334) 3.334 21.180 ( 0.000 0.000 1.540) 1.540 21.240 ( 0.000 0.000 -1.168) 1.168 24.580 ( 0.000 0.000 0.035) 0.035 24.581 ( 0.000 0.000 -0.022) 0.022 25.067 ( 0.000 0.000 3.787) 3.787 25.203 ( 0.000 0.000 -2.762) 2.762 25.524 ( 0.000 0.000 0.299) 0.299 25.542 ( 0.000 0.000 -0.563) 0.563 27.196 ( 0.000 0.000 1.647) 1.647 27.248 ( 0.000 0.000 -0.898) 0.898 27.383 ( 0.000 0.000 1.111) 1.111 27.421 ( 0.000 0.000 -0.781) 0.781 29.416 ( 0.000 0.000 9.003) 9.003 29.677 ( 0.000 0.000 8.408) 8.408 29.747 ( 0.000 0.000 -6.600) 6.600 30.035 ( 0.000 0.000 -8.701) 8.701 30.296 ( 0.000 0.000 -2.028) 2.028 30.399 ( 0.000 0.000 -7.523) 7.523 31.000 ( 0.000 0.000 3.610) 3.610 31.010 ( 0.000 0.000 2.739) 2.739 31.718 ( 0.000 0.000 1.725) 1.725 31.770 ( 0.000 0.000 -0.818) 0.818 35.813 ( 0.000 0.000 3.292) 3.292 35.950 ( 0.000 0.000 -3.269) 3.269 ======================= Grid point 179 (52/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 4.184 -9.520 28.800) 30.620 1.619 ( 5.880 -10.024 30.715) 32.840 2.360 ( 3.333 -1.427 -11.692) 12.241 2.502 ( 1.628 -7.051 -13.959) 15.723 2.904 ( 9.230 -16.686 54.895) 58.113 3.436 ( -0.396 0.835 11.476) 11.513 3.466 ( 0.089 -0.368 12.675) 12.681 3.739 ( -1.106 13.489 -2.230) 13.717 3.762 ( -3.550 11.512 -0.174) 12.048 3.868 ( 0.065 -0.472 -5.279) 5.301 3.877 ( -0.776 0.811 -5.323) 5.440 4.167 ( -9.742 -4.710 0.269) 10.824 4.244 ( -8.929 -0.937 -2.649) 9.361 4.379 ( 7.078 5.105 0.645) 8.751 4.412 ( 7.021 3.261 -1.871) 7.964 4.604 ( -0.373 -2.337 -4.182) 4.805 4.687 ( 0.546 -4.893 -5.754) 7.573 4.958 ( 0.648 -5.285 -31.455) 31.902 6.008 ( -2.576 3.836 -5.689) 7.329 6.056 ( 0.946 2.882 -10.061) 10.509 6.550 ( 0.644 -14.830 -1.237) 14.895 6.678 ( 6.387 -7.641 8.544) 13.122 6.745 ( 0.836 -9.282 -10.056) 13.711 7.011 ( 8.746 -3.340 10.094) 13.768 7.080 ( 3.596 -1.819 -13.422) 14.014 7.719 ( -2.913 0.814 6.677) 7.330 7.762 ( 0.873 -0.940 -4.084) 4.281 8.190 ( 1.094 -1.172 14.965) 15.051 8.374 ( -0.585 0.689 3.840) 3.945 8.534 ( -1.820 5.524 3.172) 6.625 8.628 ( -0.426 -0.953 -8.585) 8.649 8.737 ( 4.585 1.277 3.258) 5.769 8.802 ( 0.081 0.278 -6.388) 6.395 9.068 ( 1.486 -6.985 -20.927) 22.112 11.065 ( -8.807 27.369 15.261) 32.550 11.199 ( -7.622 9.608 13.041) 17.902 11.281 ( -1.785 18.749 8.852) 20.810 11.436 ( -1.821 2.759 23.678) 23.908 11.556 ( -3.198 4.475 -3.718) 6.639 11.691 ( -5.014 1.430 3.007) 6.019 11.792 ( -8.503 -3.565 8.610) 12.615 11.954 ( -0.474 0.422 -5.393) 5.430 12.012 ( -2.047 -0.131 0.456) 2.101 12.185 ( 1.263 8.330 -1.749) 8.605 12.306 ( -1.262 14.421 -2.220) 14.646 12.494 ( -11.420 0.443 -7.384) 13.607 12.706 ( -3.566 -10.180 -20.313) 22.999 12.797 ( 10.742 -0.402 -23.386) 25.739 14.499 ( -0.668 -14.751 18.913) 23.995 14.688 ( 10.362 -2.165 8.165) 13.369 14.841 ( 4.778 -4.997 -0.340) 6.922 15.223 ( 1.685 -8.551 -14.166) 16.632 16.355 ( 0.406 -3.225 -0.100) 3.251 16.384 ( 0.042 -4.238 -1.631) 4.541 16.637 ( 3.431 0.510 0.792) 3.558 16.688 ( 3.142 -2.079 -1.731) 4.146 18.220 ( 1.211 -2.413 3.252) 4.227 18.353 ( 1.427 -1.661 -3.125) 3.816 19.174 ( -0.310 -1.548 22.176) 22.232 19.442 ( -1.298 0.380 14.090) 14.155 19.938 ( -5.223 9.584 -13.505) 17.364 20.018 ( -2.767 3.633 -9.732) 10.751 20.063 ( -1.480 2.662 -0.451) 3.079 20.080 ( -1.048 3.890 -5.126) 6.520 20.927 ( 1.837 -4.689 1.773) 5.340 20.983 ( -0.735 -0.383 -1.148) 1.416 21.119 ( -3.546 7.800 -0.770) 8.602 21.165 ( 1.254 -0.472 -2.917) 3.210 24.574 ( 0.070 0.371 0.312) 0.490 24.586 ( 0.038 -0.272 -0.296) 0.404 25.234 ( -2.124 -8.423 -0.098) 8.688 25.310 ( -4.402 -15.563 -3.908) 16.639 25.577 ( 4.665 -4.617 0.074) 6.564 25.660 ( 17.388 -3.927 -6.593) 19.006 27.232 ( 0.286 -0.757 0.235) 0.842 27.264 ( -2.218 -4.375 -1.029) 5.012 27.383 ( 1.026 -0.086 1.269) 1.634 27.483 ( 7.314 -2.732 -4.196) 8.864 29.449 ( 0.719 -3.503 7.031) 7.888 29.670 ( -0.819 0.732 6.443) 6.536 29.703 ( 1.826 4.434 -3.248) 5.791 30.020 ( -2.146 0.030 -8.723) 8.983 30.314 ( 1.859 -0.342 -2.333) 3.002 30.439 ( 0.644 -3.598 -8.058) 8.849 31.057 ( 3.223 -3.759 4.155) 6.464 31.084 ( 3.226 -7.053 2.779) 8.239 31.701 ( 0.998 0.709 4.436) 4.602 31.854 ( 1.360 -7.118 -2.962) 7.829 35.124 ( -28.741 50.656 30.221) 65.616 35.685 ( -12.616 22.298 -7.015) 26.563 ======================= Grid point 180 (53/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 6.513 -14.328 19.964) 25.421 1.969 ( 10.070 -20.044 20.538) 30.414 2.432 ( 4.198 -2.358 -8.556) 9.817 2.687 ( 2.886 -11.123 -12.110) 16.695 3.302 ( 5.086 -11.300 25.100) 27.992 3.391 ( 0.205 4.375 5.982) 7.414 3.441 ( -1.324 4.855 7.968) 9.424 3.490 ( -0.768 8.065 5.253) 9.656 3.551 ( -2.731 5.948 5.516) 8.559 3.836 ( -3.403 1.803 -7.194) 8.160 3.894 ( 0.638 0.195 -4.308) 4.359 4.031 ( -6.204 5.828 -2.017) 8.748 4.088 ( -5.513 3.254 1.386) 6.550 4.445 ( 3.920 -2.368 1.576) 4.843 4.513 ( 4.664 -3.925 -2.960) 6.776 4.601 ( -0.544 0.410 -10.050) 10.073 4.777 ( 2.135 -3.127 -0.371) 3.805 5.067 ( -0.762 -6.244 -16.736) 17.879 5.929 ( -2.679 0.829 -2.188) 3.557 6.028 ( 4.491 3.780 -8.141) 10.036 6.723 ( 0.061 -7.335 -3.184) 7.997 6.864 ( 0.236 -9.052 19.385) 21.395 6.914 ( -0.324 -7.508 -12.898) 14.928 7.142 ( 6.471 -2.097 -6.315) 9.282 7.245 ( 8.285 -6.498 -9.142) 13.944 7.690 ( -3.115 -1.952 10.476) 11.102 7.803 ( 0.978 -2.515 -2.977) 4.018 8.226 ( 2.082 -0.653 12.159) 12.353 8.331 ( 0.890 3.287 14.609) 15.000 8.446 ( -0.152 3.623 5.738) 6.787 8.698 ( 2.797 -5.859 -21.575) 22.531 8.758 ( 1.978 0.499 -4.552) 4.988 8.802 ( 2.526 -0.597 -2.951) 3.930 9.209 ( 1.034 -6.482 -19.503) 20.578 10.468 ( -9.828 26.731 12.097) 30.943 10.678 ( -8.737 25.222 -2.705) 26.829 11.205 ( 0.851 3.590 11.576) 12.150 11.334 ( -5.409 7.144 20.545) 22.414 11.408 ( -5.520 6.975 -2.649) 9.281 11.621 ( -3.546 5.573 7.832) 10.246 11.682 ( -5.796 9.328 6.134) 12.579 11.731 ( -10.740 13.990 5.500) 18.475 11.949 ( -1.093 -1.451 1.475) 2.339 11.996 ( -2.023 1.833 2.053) 3.415 12.223 ( -1.577 1.640 -4.167) 4.748 12.476 ( -3.619 -2.470 -9.664) 10.611 12.822 ( -4.240 -7.475 -20.272) 22.018 12.926 ( 8.179 -2.251 -21.525) 23.137 14.707 ( 3.089 -7.470 12.657) 15.018 14.873 ( 3.651 -9.645 11.379) 15.356 15.027 ( 9.078 -7.063 1.365) 11.583 15.395 ( 3.351 -8.805 -7.473) 12.025 16.414 ( -0.397 -3.448 0.460) 3.501 16.460 ( -0.268 -4.159 -1.900) 4.580 16.680 ( 4.850 -0.616 1.388) 5.082 16.760 ( 3.546 -2.233 -2.555) 4.908 18.290 ( 1.826 -3.706 2.803) 4.993 18.407 ( 2.108 -2.203 -2.775) 4.123 19.193 ( -0.631 -0.861 15.496) 15.533 19.412 ( -2.760 1.115 10.410) 10.827 19.690 ( -4.177 12.124 -7.053) 14.635 19.896 ( -6.379 4.823 -9.967) 12.778 19.979 ( -2.293 4.983 -0.760) 5.538 19.986 ( -1.767 4.381 -1.254) 4.887 20.896 ( -1.983 5.250 0.034) 5.612 20.967 ( -0.457 5.511 -3.226) 6.402 21.056 ( 2.474 -5.410 3.944) 7.138 21.279 ( 2.549 -7.593 -5.843) 9.914 24.570 ( 0.093 0.149 0.497) 0.527 24.590 ( 0.072 -0.066 -0.469) 0.479 25.334 ( -1.252 -5.918 3.954) 7.227 25.465 ( -4.051 -9.061 -0.761) 9.954 25.738 ( 5.913 -6.727 -0.231) 8.959 25.929 ( 11.697 -6.308 -14.236) 19.475 27.203 ( -0.387 3.453 2.335) 4.187 27.323 ( -2.753 -4.440 -0.198) 5.228 27.398 ( -0.916 -1.368 -1.724) 2.384 27.626 ( 8.623 -2.524 -12.929) 15.744 29.541 ( 1.278 -5.072 2.315) 5.719 29.635 ( 2.844 2.912 -0.818) 4.152 29.676 ( 0.559 0.821 5.162) 5.257 30.008 ( -1.335 -0.898 -9.250) 9.389 30.332 ( 1.515 0.188 -1.389) 2.064 30.514 ( -0.400 -4.640 -8.387) 9.594 31.183 ( 5.109 -5.522 6.915) 10.218 31.274 ( 4.735 -9.203 1.488) 10.456 31.728 ( 2.394 -1.934 8.804) 9.326 32.031 ( 3.096 -11.163 -5.925) 13.011 33.938 ( -27.198 48.252 50.417) 74.899 35.014 ( -19.460 34.579 -13.933) 42.054 ======================= Grid point 181 (54/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 6.670 -14.567 11.198) 19.547 2.423 ( 9.035 -17.520 8.951) 21.650 2.521 ( 4.656 -4.905 -1.878) 7.019 2.905 ( 1.222 -10.028 -8.472) 13.185 3.122 ( -4.028 11.755 1.585) 12.527 3.256 ( -1.966 7.810 -3.896) 8.947 3.404 ( -3.278 2.966 10.975) 11.832 3.462 ( -2.405 3.749 6.843) 8.165 3.526 ( -0.740 0.248 7.858) 7.896 3.750 ( -4.237 3.540 -8.432) 10.079 3.862 ( 0.937 0.245 -6.431) 6.504 3.938 ( 1.339 4.076 -8.374) 9.409 4.178 ( 3.694 -12.402 11.843) 17.542 4.496 ( 0.365 -1.676 4.645) 4.951 4.574 ( 0.134 0.234 -7.695) 7.700 4.621 ( 2.365 -1.717 -1.783) 3.424 4.841 ( 3.514 -1.646 4.366) 5.841 5.127 ( -3.213 -2.541 -8.162) 9.133 5.933 ( -1.230 -2.934 -1.850) 3.681 6.016 ( 5.476 3.362 -6.058) 8.831 6.832 ( 2.208 -4.027 0.330) 4.605 6.968 ( -0.556 -3.286 15.713) 16.063 7.022 ( -0.773 -5.911 -10.234) 11.844 7.224 ( 1.998 -2.416 -5.459) 6.295 7.352 ( 0.385 -2.092 -7.433) 7.731 7.734 ( -0.401 -4.202 12.687) 13.371 7.847 ( 0.865 -1.131 -0.193) 1.437 8.204 ( -0.091 3.910 17.065) 17.507 8.331 ( 2.278 -0.448 10.041) 10.305 8.412 ( 1.501 1.149 10.036) 10.212 8.770 ( 1.172 -2.429 -5.777) 6.376 8.835 ( 3.275 -3.769 -13.485) 14.380 8.909 ( 5.899 -6.550 -18.017) 20.058 9.258 ( -1.762 1.685 -14.085) 14.294 10.028 ( -5.017 15.233 7.715) 17.797 10.278 ( -3.603 12.583 -7.841) 15.258 11.075 ( -7.662 11.090 8.767) 16.080 11.137 ( -1.361 7.514 1.962) 7.884 11.235 ( -5.961 17.709 2.887) 18.907 11.250 ( -1.999 6.331 0.617) 6.668 11.533 ( -6.576 0.618 10.359) 12.285 11.669 ( 0.080 0.459 11.097) 11.107 11.934 ( -5.863 -0.592 15.180) 16.284 11.987 ( 0.593 -0.939 -3.368) 3.547 12.178 ( -2.683 1.033 -4.602) 5.426 12.464 ( -1.596 0.587 -8.113) 8.290 12.885 ( -2.907 -4.093 -20.398) 21.006 13.009 ( 3.410 -0.784 -22.515) 22.785 14.832 ( 4.612 -2.886 12.969) 14.064 15.064 ( -0.297 -10.060 10.522) 14.560 15.187 ( 6.660 -2.021 4.033) 8.044 15.592 ( 4.154 -8.764 -5.082) 10.949 16.461 ( -0.900 -2.809 0.914) 3.088 16.509 ( -0.035 -1.652 -1.395) 2.162 16.750 ( 3.873 -2.264 0.354) 4.500 16.826 ( 2.387 -1.713 -3.232) 4.368 18.371 ( 1.557 -3.430 2.069) 4.297 18.459 ( 1.732 -1.401 -2.144) 3.092 19.183 ( -0.399 1.696 7.639) 7.836 19.319 ( -4.706 5.270 2.145) 7.384 19.523 ( -0.123 3.319 1.911) 3.832 19.745 ( -6.639 4.804 -6.941) 10.740 19.874 ( -1.686 4.361 0.315) 4.686 19.901 ( -1.545 3.395 -0.833) 3.822 20.801 ( -0.924 3.845 -0.779) 4.031 20.891 ( 0.502 3.375 -4.363) 5.539 21.184 ( 2.483 -5.725 5.871) 8.568 21.418 ( 1.528 -5.547 -4.525) 7.320 24.571 ( 0.098 -0.177 0.462) 0.505 24.590 ( 0.071 0.181 -0.435) 0.476 25.415 ( -0.350 -4.435 7.436) 8.665 25.576 ( -0.873 -6.639 0.998) 6.770 25.892 ( 5.661 -3.786 -0.604) 6.837 26.079 ( 3.383 -3.249 -11.470) 12.392 27.118 ( -0.787 5.142 4.793) 7.073 27.353 ( -0.964 -1.171 4.693) 4.932 27.425 ( -2.634 -4.072 -9.903) 11.026 27.696 ( 4.047 1.662 -15.228) 15.844 29.578 ( 0.568 1.134 0.070) 1.270 29.671 ( 3.361 -1.058 -5.501) 6.533 29.678 ( 0.441 -1.030 6.565) 6.660 30.025 ( 0.279 -1.562 -10.586) 10.705 30.344 ( 0.368 -0.616 1.431) 1.601 30.583 ( -0.709 -3.810 -7.881) 8.782 31.331 ( 4.929 -5.403 9.141) 11.707 31.458 ( 3.697 -6.570 1.047) 7.611 31.817 ( 4.083 -4.905 14.446) 15.793 32.301 ( 5.299 -14.911 -8.058) 17.758 33.024 ( -17.497 31.473 45.156) 57.756 34.199 ( -19.866 35.684 -17.890) 44.588 ======================= Grid point 182 (55/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 3.734 -8.092 4.159) 9.835 2.544 ( 1.136 -0.715 -1.302) 1.870 2.818 ( 4.518 -10.207 4.071) 11.881 2.916 ( 2.335 2.896 3.898) 5.389 3.044 ( -4.299 -0.933 -2.405) 5.014 3.134 ( -0.894 4.031 -3.309) 5.291 3.302 ( -2.540 3.026 7.061) 8.091 3.354 ( -2.507 3.243 9.672) 10.505 3.524 ( 0.244 0.514 6.327) 6.352 3.714 ( 0.810 -2.910 -12.044) 12.417 3.856 ( -1.220 5.616 -9.975) 11.512 3.877 ( 0.177 -0.401 -8.282) 8.294 4.405 ( 2.979 -7.277 2.209) 8.168 4.507 ( -0.939 2.109 -0.080) 2.310 4.577 ( 0.227 -2.326 2.435) 3.375 4.654 ( 1.120 0.147 -0.054) 1.131 4.918 ( 4.358 -2.384 6.505) 8.185 5.092 ( -4.188 1.364 -1.307) 4.594 5.980 ( -2.307 -3.975 -2.728) 5.344 6.011 ( 4.505 3.420 -4.063) 6.964 6.899 ( 2.477 -0.921 9.286) 9.655 6.982 ( -1.800 -0.508 2.192) 2.882 7.098 ( 0.153 -2.893 -7.695) 8.222 7.254 ( 0.052 -0.050 -6.831) 6.831 7.381 ( -1.017 -2.018 -1.250) 2.582 7.781 ( -0.019 -1.071 0.522) 1.191 7.867 ( 0.792 -0.361 12.779) 12.809 8.142 ( -0.075 2.255 20.973) 21.094 8.356 ( -2.256 -2.683 8.161) 8.882 8.405 ( 3.022 2.890 14.071) 14.679 8.875 ( 2.582 -5.705 -9.385) 11.282 8.912 ( 2.627 -2.673 -10.886) 11.513 9.053 ( 3.048 -3.263 -21.083) 21.551 9.125 ( -4.251 7.976 -6.896) 11.369 9.837 ( -0.999 4.376 4.412) 6.294 10.165 ( -0.203 0.937 -12.704) 12.740 10.859 ( -5.573 3.825 4.023) 7.866 10.907 ( -0.769 9.870 1.881) 10.077 11.065 ( -1.541 3.043 1.342) 3.665 11.176 ( 0.549 2.212 -3.078) 3.830 11.504 ( -2.163 -1.508 11.451) 11.751 11.651 ( 0.154 1.504 9.982) 10.096 11.892 ( -2.823 -0.141 17.519) 17.745 12.006 ( 0.196 -0.560 -0.538) 0.801 12.141 ( -1.285 0.666 -2.855) 3.201 12.440 ( -0.498 0.604 -8.055) 8.093 12.911 ( -1.199 -1.400 -20.640) 20.722 13.032 ( 0.906 0.096 -23.913) 23.930 14.897 ( 1.791 -0.927 14.409) 14.549 15.184 ( -0.748 -3.950 17.664) 18.116 15.249 ( 3.033 -0.178 -1.743) 3.503 15.733 ( 1.704 -3.493 -5.874) 7.043 16.492 ( -0.513 -1.389 1.162) 1.882 16.522 ( 0.129 -0.008 -0.233) 0.266 16.814 ( 1.510 -1.371 -1.343) 2.441 16.861 ( 0.709 -0.614 -3.697) 3.814 18.427 ( 0.595 -1.571 1.335) 2.146 18.485 ( 0.661 -0.273 -1.420) 1.590 19.122 ( -0.806 3.103 4.142) 5.238 19.231 ( -1.313 0.972 -1.103) 1.971 19.530 ( 2.260 -1.688 1.867) 3.383 19.614 ( -4.711 3.634 -2.348) 6.396 19.810 ( -0.604 1.628 0.901) 1.956 19.849 ( -0.563 1.272 -0.844) 1.627 20.749 ( -0.297 1.440 -0.223) 1.487 20.856 ( 0.370 1.208 -5.050) 5.205 21.277 ( 0.920 -2.530 6.507) 7.042 21.491 ( 0.499 -1.857 -3.547) 4.035 24.577 ( 0.061 -0.352 0.214) 0.416 24.585 ( 0.013 0.335 -0.196) 0.388 25.471 ( 0.074 -1.876 9.963) 10.138 25.659 ( 0.071 -2.781 2.033) 3.445 25.969 ( 2.445 -0.682 -1.172) 2.795 26.132 ( 0.282 -1.227 -9.650) 9.732 27.041 ( -0.365 2.444 6.453) 6.910 27.355 ( -0.366 -0.107 5.366) 5.379 27.471 ( -1.338 -2.865 -15.804) 16.117 27.678 ( 1.129 2.224 -11.025) 11.304 29.565 ( 0.325 0.520 -0.773) 0.987 29.673 ( 0.152 0.497 -2.843) 2.890 29.721 ( 1.027 -0.780 0.388) 1.347 30.055 ( 0.489 -0.906 -11.342) 11.389 30.357 ( -0.032 -0.550 3.638) 3.680 30.624 ( -0.317 -1.464 -7.204) 7.358 31.442 ( 2.249 -2.541 9.250) 9.853 31.559 ( 1.216 -2.265 1.470) 2.962 31.984 ( 5.940 -8.591 22.924) 25.191 32.352 ( -9.083 13.833 29.419) 33.754 32.795 ( 8.234 -15.926 -7.275) 19.348 33.461 ( -14.949 27.510 -17.506) 35.871 ======================= Grid point 188 (56/100) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 11.055 0.000 29.487) 31.491 1.627 ( 11.298 0.000 29.965) 32.024 2.407 ( 7.322 0.000 -13.025) 14.942 2.456 ( 2.536 0.000 -12.821) 13.069 2.890 ( 17.297 0.000 55.310) 57.952 3.435 ( -0.773 -0.000 12.916) 12.939 3.467 ( 0.438 0.000 11.996) 12.004 3.809 ( -5.582 -0.000 -5.536) 7.862 3.853 ( 0.256 0.000 -6.923) 6.928 3.891 ( -7.024 -0.000 -3.283) 7.754 3.903 ( -2.874 -0.000 0.073) 2.875 3.986 ( -7.655 -0.000 2.404) 8.024 4.110 ( -7.126 -0.000 -4.109) 8.226 4.512 ( 5.021 0.000 1.551) 5.255 4.527 ( 2.867 0.000 -3.933) 4.868 4.558 ( 1.825 0.000 0.534) 1.901 4.620 ( 0.553 0.000 -1.628) 1.720 4.930 ( 2.168 0.000 -37.441) 37.504 5.980 ( -8.973 -0.000 -3.916) 9.790 6.110 ( 5.023 0.000 -12.666) 13.625 6.477 ( 10.419 0.000 -1.117) 10.478 6.642 ( 0.191 0.000 11.244) 11.245 6.728 ( 9.910 0.000 -9.108) 13.459 7.092 ( 2.818 0.000 -11.624) 11.961 7.105 ( 15.547 0.000 6.063) 16.687 7.723 ( -0.704 -0.000 15.590) 15.605 7.739 ( -1.788 -0.000 -15.475) 15.578 8.183 ( 0.345 0.000 16.758) 16.762 8.368 ( -0.756 -0.000 -0.233) 0.791 8.571 ( -0.720 -0.000 6.860) 6.898 8.599 ( -2.964 -0.000 -3.435) 4.537 8.804 ( 0.839 0.000 -7.230) 7.278 8.826 ( 6.890 0.000 1.922) 7.153 9.025 ( 3.360 0.000 -23.535) 23.774 11.119 ( -18.678 -0.000 17.948) 25.904 11.268 ( -2.545 -0.000 17.649) 17.831 11.306 ( -34.409 -0.000 4.777) 34.739 11.483 ( -4.061 -0.000 18.584) 19.022 11.543 ( -7.969 -0.000 -5.809) 9.861 11.586 ( 2.404 0.000 11.104) 11.361 11.730 ( -4.840 -0.000 5.523) 7.343 11.910 ( -0.518 -0.000 -9.639) 9.653 12.028 ( -1.085 -0.000 4.680) 4.804 12.159 ( -13.707 -0.000 -4.639) 14.470 12.374 ( -8.811 -0.000 -11.438) 14.438 12.423 ( -3.575 -0.000 6.821) 7.701 12.640 ( 1.103 0.000 -23.510) 23.536 12.915 ( 13.626 0.000 -24.350) 27.903 14.372 ( 2.943 0.000 21.367) 21.569 14.820 ( 17.668 0.000 4.342) 18.194 14.857 ( 5.520 0.000 4.158) 6.911 15.155 ( 3.656 0.000 -16.910) 17.301 16.337 ( 2.008 0.000 -0.290) 2.029 16.350 ( 0.553 0.000 -1.052) 1.189 16.688 ( 5.025 0.000 0.211) 5.030 16.714 ( 5.712 0.000 -1.289) 5.855 18.217 ( 2.370 0.000 3.497) 4.225 18.360 ( 2.796 0.000 -3.349) 4.363 19.157 ( -0.234 -0.000 23.826) 23.828 19.427 ( -2.496 -0.000 12.849) 13.090 19.916 ( -10.740 -0.000 -11.296) 15.587 20.037 ( -3.847 -0.000 -8.194) 9.052 20.061 ( -3.273 -0.000 -0.109) 3.274 20.112 ( -2.083 -0.000 -12.230) 12.406 20.884 ( 2.346 0.000 3.775) 4.445 20.970 ( -1.636 -0.000 -1.098) 1.971 21.136 ( -7.653 -0.000 -0.437) 7.666 21.193 ( 3.573 0.000 -2.745) 4.506 24.580 ( 0.006 0.000 0.071) 0.071 24.583 ( 0.136 0.000 -0.084) 0.160 25.084 ( 1.901 0.000 4.114) 4.531 25.231 ( 2.843 0.000 -2.932) 4.084 25.584 ( 5.065 0.000 3.047) 5.910 25.826 ( 21.022 0.000 -12.601) 24.509 27.202 ( 0.445 0.000 2.303) 2.346 27.250 ( 0.630 0.000 -0.400) 0.746 27.388 ( 0.280 0.000 1.907) 1.928 27.556 ( 11.946 0.000 -8.559) 14.696 29.423 ( 0.602 0.000 9.139) 9.159 29.670 ( -0.060 -0.000 7.443) 7.443 29.771 ( 2.644 0.000 -6.857) 7.350 29.985 ( -4.022 -0.000 -8.031) 8.982 30.336 ( 3.638 0.000 -2.296) 4.302 30.426 ( 1.842 0.000 -7.049) 7.286 31.068 ( 6.549 0.000 3.412) 7.384 31.073 ( 6.101 0.000 2.873) 6.743 31.730 ( 1.209 0.000 2.388) 2.677 31.803 ( 3.352 0.000 -1.171) 3.551 35.132 ( -57.603 -0.000 29.779) 64.845 35.689 ( -25.230 -0.000 -7.047) 26.195 ======================= Grid point 189 (57/100) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 14.740 -6.094 21.791) 27.005 1.841 ( 16.289 -9.966 24.111) 30.757 2.459 ( 5.694 0.087 -11.872) 13.167 2.577 ( 6.101 -6.845 -10.856) 14.211 3.178 ( 13.902 -11.046 37.222) 41.240 3.420 ( -1.550 0.822 11.099) 11.237 3.469 ( 0.538 0.427 9.750) 9.774 3.637 ( -7.660 8.548 -0.981) 11.520 3.672 ( -5.912 12.539 -0.083) 13.863 3.825 ( -4.018 1.311 -6.394) 7.664 3.883 ( 0.212 -1.692 -2.118) 2.719 3.967 ( -8.337 -2.230 0.164) 8.632 4.064 ( -7.684 -0.097 -3.258) 8.347 4.506 ( 5.081 2.443 0.453) 5.657 4.540 ( 5.711 0.742 -2.444) 6.256 4.594 ( -0.210 -0.427 -5.204) 5.226 4.719 ( 2.786 -6.005 -2.501) 7.077 4.987 ( 2.100 -3.574 -23.243) 23.610 5.891 ( -6.658 0.160 -0.357) 6.669 6.136 ( 5.292 2.567 -13.113) 14.372 6.632 ( 6.882 -5.177 -3.794) 9.410 6.702 ( -1.323 -7.119 12.664) 14.588 6.867 ( 8.433 -3.733 -6.351) 11.197 7.146 ( 2.532 -3.209 -6.749) 7.890 7.277 ( 11.735 -1.771 -4.324) 12.631 7.668 ( -1.677 2.411 2.003) 3.555 7.772 ( 1.329 -2.468 2.052) 3.474 8.209 ( 0.699 -2.371 13.086) 13.318 8.359 ( -0.847 0.235 8.854) 8.898 8.512 ( -0.925 3.861 5.663) 6.916 8.635 ( 2.168 -4.214 -11.160) 12.125 8.807 ( 0.745 0.964 -6.232) 6.350 8.853 ( 5.976 2.951 -2.495) 7.116 9.121 ( 3.643 -5.415 -22.742) 23.660 10.697 ( -25.797 18.568 12.326) 34.091 10.854 ( -24.940 11.655 0.739) 27.539 11.255 ( -0.719 1.493 12.146) 12.259 11.390 ( -2.469 4.474 21.795) 22.386 11.428 ( -8.583 3.592 -1.035) 9.362 11.638 ( -6.923 3.296 7.436) 10.681 11.649 ( 1.174 -1.502 8.636) 8.844 11.892 ( -13.410 9.680 1.023) 16.570 11.931 ( -14.131 -1.333 1.032) 14.232 11.944 ( -3.022 1.474 -0.751) 3.445 12.310 ( 1.394 8.774 -0.218) 8.887 12.396 ( -0.139 -4.190 -12.749) 13.420 12.664 ( -0.219 -2.604 -17.460) 17.654 13.048 ( 13.214 0.722 -25.051) 28.332 14.524 ( 2.970 -12.109 19.493) 23.139 14.874 ( 4.573 1.146 8.255) 9.506 15.057 ( 17.006 -4.235 1.125) 17.561 15.281 ( 4.036 -7.995 -12.819) 15.638 16.370 ( 0.791 -1.960 0.073) 2.115 16.398 ( 1.656 -3.582 -1.244) 4.138 16.735 ( 5.532 0.696 0.593) 5.607 16.777 ( 5.045 -0.734 -1.455) 5.302 18.262 ( 2.850 -2.077 3.413) 4.908 18.403 ( 3.326 -1.241 -3.313) 4.855 19.166 ( -0.446 -1.263 20.713) 20.756 19.393 ( -3.453 0.443 10.249) 10.824 19.770 ( -10.373 4.392 -8.247) 13.961 19.933 ( -5.303 6.328 -11.297) 13.993 20.005 ( -4.188 2.123 -0.206) 4.700 20.035 ( -3.628 4.054 -5.100) 7.457 20.923 ( -3.384 1.117 1.506) 3.869 20.984 ( 2.153 -5.992 2.472) 6.830 21.026 ( -4.369 3.968 -1.175) 6.018 21.251 ( 6.932 -1.248 -6.131) 9.338 24.575 ( 0.057 0.341 0.304) 0.460 24.588 ( 0.102 -0.259 -0.298) 0.408 25.212 ( 1.042 -9.464 2.155) 9.763 25.298 ( 2.091 -4.421 -1.598) 5.145 25.678 ( 4.798 -4.913 4.335) 8.121 26.022 ( 14.951 -0.555 -15.499) 21.542 27.233 ( -0.486 -2.997 2.166) 3.729 27.248 ( 0.996 1.508 0.317) 1.834 27.387 ( -0.677 0.152 2.209) 2.316 27.693 ( 11.211 -1.095 -16.150) 19.691 29.468 ( 0.870 -4.280 7.569) 8.739 29.670 ( 1.353 0.536 5.889) 6.066 29.768 ( 4.892 3.905 -4.984) 8.002 29.961 ( -3.009 -1.655 -7.460) 8.213 30.374 ( 3.783 0.926 -3.695) 5.368 30.449 ( -0.021 -1.633 -6.903) 7.094 31.174 ( 8.047 -3.241 4.438) 9.744 31.200 ( 7.954 -6.141 2.889) 10.455 31.739 ( 2.871 -0.011 5.003) 5.769 31.910 ( 4.408 -6.825 -3.212) 8.737 34.255 ( -50.659 29.948 47.585) 75.681 35.227 ( -31.736 18.765 -12.275) 38.858 ======================= Grid point 190 (58/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 12.771 -9.727 13.933) 21.257 2.252 ( 17.761 -15.949 14.007) 27.677 2.523 ( 4.645 -1.174 -8.534) 9.787 2.769 ( 4.949 -8.387 -7.148) 12.080 3.253 ( -7.214 8.031 3.647) 11.394 3.347 ( -3.972 5.475 0.519) 6.784 3.444 ( -3.196 6.124 6.540) 9.513 3.482 ( -0.400 0.938 7.356) 7.427 3.511 ( -2.115 0.306 8.287) 8.558 3.740 ( -6.003 1.585 -7.208) 9.513 3.894 ( -0.336 1.884 -5.048) 5.398 3.986 ( 1.087 -0.713 -5.312) 5.468 4.039 ( 4.613 -8.053 11.691) 14.927 4.515 ( 2.886 2.052 2.904) 4.579 4.582 ( 1.308 0.063 -8.120) 8.225 4.608 ( 1.525 -1.922 -1.936) 3.125 4.834 ( 3.841 -3.451 0.399) 5.179 5.063 ( 0.182 -3.082 -9.818) 10.292 5.864 ( -3.347 -2.714 1.419) 4.537 6.140 ( 6.342 3.474 -11.513) 13.595 6.778 ( 4.908 -5.424 -3.224) 7.994 6.833 ( -2.154 -9.160 15.647) 18.258 6.981 ( 5.117 -1.654 -5.653) 7.803 7.212 ( 0.498 -1.450 -5.056) 5.284 7.347 ( 1.013 0.399 -6.116) 6.212 7.658 ( -0.525 -3.220 4.610) 5.648 7.834 ( 2.889 -1.832 6.065) 6.963 8.239 ( -0.530 0.494 10.181) 10.207 8.340 ( -1.736 1.462 14.883) 15.055 8.471 ( 3.251 0.909 7.482) 8.208 8.737 ( 1.075 -3.158 -12.108) 12.559 8.827 ( 4.955 -1.750 -13.448) 14.438 8.881 ( 4.545 -1.587 -7.813) 9.177 9.227 ( 0.374 -2.994 -19.952) 20.179 10.182 ( -17.185 14.383 10.335) 24.678 10.426 ( -15.936 12.506 -5.165) 20.905 11.204 ( -4.192 9.163 12.170) 15.800 11.222 ( -3.669 5.103 1.116) 6.384 11.304 ( -2.131 5.081 12.238) 13.421 11.447 ( -11.237 4.747 3.036) 12.570 11.516 ( -9.762 14.943 1.312) 17.897 11.699 ( 3.370 0.064 10.597) 11.120 11.840 ( -7.092 -1.741 13.874) 15.678 11.949 ( -2.747 -1.927 -4.713) 5.785 12.203 ( 0.866 4.729 -4.566) 6.631 12.449 ( -0.645 -1.754 -11.017) 11.174 12.703 ( -5.220 -4.811 -14.203) 15.879 13.139 ( 10.818 2.584 -25.678) 27.984 14.774 ( 3.674 -11.030 15.607) 19.462 14.918 ( 0.642 -3.862 12.334) 12.941 15.254 ( 11.826 -1.038 -0.344) 11.876 15.478 ( 4.912 -9.283 -7.289) 12.784 16.416 ( 0.470 -2.493 1.007) 2.729 16.480 ( 2.195 -3.336 -2.114) 4.519 16.771 ( 3.937 0.423 0.803) 4.040 16.835 ( 3.829 -0.699 -2.406) 4.576 18.334 ( 2.294 -2.932 2.934) 4.740 18.457 ( 2.630 -1.242 -2.941) 4.136 19.185 ( -0.125 -1.037 13.269) 13.310 19.341 ( -3.870 1.786 6.151) 7.484 19.586 ( -6.069 6.104 -3.219) 9.189 19.755 ( -7.130 6.038 -9.491) 13.318 19.915 ( -4.015 3.318 -0.034) 5.209 19.931 ( -3.815 3.378 -1.024) 5.198 20.858 ( -1.409 3.278 0.118) 3.569 20.938 ( -1.576 2.697 -3.143) 4.432 21.115 ( 2.564 -5.846 4.935) 8.069 21.363 ( 5.491 -3.821 -6.049) 9.019 24.571 ( 0.067 0.125 0.501) 0.521 24.592 ( 0.113 -0.054 -0.475) 0.491 25.350 ( 2.747 -4.331 3.151) 6.019 25.434 ( 0.878 -9.211 0.256) 9.256 25.824 ( 2.044 -7.370 2.698) 8.111 26.123 ( 7.259 1.411 -12.212) 14.276 27.205 ( 0.719 4.641 2.082) 5.137 27.284 ( -1.444 -3.922 2.228) 4.736 27.372 ( -1.810 -0.266 0.045) 1.830 27.771 ( 5.262 1.783 -19.190) 19.978 29.557 ( 0.206 -4.121 4.952) 6.445 29.685 ( 2.667 0.249 5.119) 5.777 29.753 ( 6.362 3.974 -4.223) 8.608 29.985 ( -0.670 -3.038 -8.164) 8.737 30.365 ( 1.580 2.552 -3.504) 4.614 30.490 ( -1.878 -4.118 -7.693) 8.925 31.322 ( 8.415 -3.932 7.742) 12.091 31.396 ( 7.156 -6.733 2.600) 10.164 31.798 ( 4.685 -2.432 8.911) 10.357 32.119 ( 5.618 -11.873 -6.151) 14.504 33.314 ( -32.442 28.924 48.842) 65.380 34.500 ( -30.707 27.508 -17.201) 44.671 ======================= Grid point 191 (59/100) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 8.339 -9.606 7.190) 14.612 2.556 ( 3.091 -0.205 -3.081) 4.369 2.685 ( 11.521 -13.187 6.010) 18.513 2.934 ( 1.401 -6.426 -4.409) 7.918 3.032 ( -3.621 7.882 3.523) 9.362 3.205 ( -3.333 5.831 -3.581) 7.611 3.325 ( -4.147 3.694 7.523) 9.351 3.391 ( -3.694 4.269 7.484) 9.375 3.516 ( -1.135 -1.010 6.135) 6.320 3.683 ( -1.295 -0.915 -11.091) 11.204 3.881 ( 0.561 0.714 -8.103) 8.154 3.950 ( 0.362 4.102 -8.923) 9.827 4.315 ( 8.611 -9.439 7.162) 14.647 4.510 ( 0.878 -0.307 4.774) 4.863 4.574 ( 0.004 1.506 -4.171) 4.435 4.652 ( 0.320 -1.600 -0.790) 1.813 4.927 ( 5.280 -2.146 3.813) 6.857 5.079 ( -1.551 0.162 -1.696) 2.304 5.899 ( -1.881 -3.621 1.472) 4.338 6.137 ( 6.207 4.429 -9.136) 11.899 6.909 ( 3.207 -2.822 8.626) 9.626 6.935 ( -0.022 -4.725 7.941) 9.241 7.041 ( 1.452 -2.126 -7.735) 8.153 7.230 ( -0.546 -2.214 -5.220) 5.696 7.328 ( -2.758 -0.401 -5.189) 5.891 7.739 ( 0.668 -4.626 1.563) 4.928 7.881 ( 2.660 -0.196 11.462) 11.768 8.186 ( -1.866 3.301 18.553) 18.936 8.278 ( -4.725 0.807 11.261) 12.238 8.504 ( 3.957 1.319 11.328) 12.072 8.809 ( 2.725 -4.633 -10.106) 11.447 8.897 ( 2.826 -1.962 -12.609) 13.070 9.006 ( 3.028 -5.356 -19.501) 20.448 9.184 ( -5.889 5.112 -11.617) 13.992 9.891 ( -7.325 5.943 4.326) 10.377 10.171 ( -7.104 3.186 -9.733) 12.464 10.943 ( -3.961 11.753 9.958) 15.906 11.086 ( -6.969 5.836 3.738) 9.829 11.129 ( -0.509 11.655 -2.178) 11.867 11.258 ( 0.647 7.021 -1.019) 7.124 11.405 ( -4.042 -4.511 9.733) 11.464 11.691 ( -1.808 1.490 5.491) 5.970 11.844 ( -0.061 -2.562 19.201) 19.371 11.961 ( -2.665 -2.591 -0.769) 3.795 12.155 ( 0.588 2.040 -1.880) 2.836 12.447 ( -0.520 0.667 -9.799) 9.836 12.729 ( -8.414 -6.269 -15.234) 18.497 13.179 ( 9.410 4.198 -26.768) 28.683 14.893 ( 1.079 -1.215 15.047) 15.134 15.053 ( -0.293 -9.287 14.766) 17.446 15.334 ( 7.415 2.172 -0.111) 7.728 15.659 ( 2.148 -6.665 -6.212) 9.361 16.463 ( 0.903 -2.173 1.581) 2.835 16.541 ( 2.931 -0.529 -1.835) 3.498 16.802 ( 1.227 -0.818 -0.221) 1.491 16.872 ( 2.439 0.058 -3.576) 4.329 18.399 ( 1.067 -2.459 2.136) 3.427 18.490 ( 1.248 -0.282 -2.240) 2.580 19.189 ( 1.232 2.186 4.847) 5.458 19.247 ( -2.259 3.747 2.129) 4.866 19.500 ( -2.294 -1.293 1.174) 2.883 19.605 ( -7.001 3.090 -4.648) 8.954 19.827 ( -2.891 2.376 0.578) 3.787 19.853 ( -3.161 1.502 -0.494) 3.534 20.791 ( -0.059 3.408 -0.175) 3.413 20.890 ( -0.453 2.164 -4.104) 4.661 21.229 ( 1.855 -4.576 6.410) 8.091 21.467 ( 3.187 -2.788 -4.691) 6.320 24.573 ( 0.062 -0.176 0.462) 0.498 24.591 ( 0.079 0.242 -0.430) 0.499 25.438 ( 2.423 -3.016 7.063) 8.053 25.588 ( 2.202 -6.161 2.302) 6.936 25.950 ( -0.277 -5.763 -1.215) 5.896 26.133 ( 2.237 2.241 -8.611) 9.175 27.116 ( 0.641 5.724 4.293) 7.183 27.325 ( -1.864 -2.271 5.993) 6.675 27.384 ( -1.569 -3.718 -8.507) 9.416 27.750 ( 1.433 3.887 -16.514) 17.026 29.590 ( 0.653 0.351 2.419) 2.530 29.702 ( 2.199 0.901 4.725) 5.289 29.758 ( 4.837 2.399 -6.170) 8.199 30.038 ( 1.100 -2.254 -9.898) 10.211 30.341 ( -0.817 0.314 -0.222) 0.903 30.544 ( -2.994 -4.777 -7.596) 9.459 31.458 ( 7.484 -2.102 9.861) 12.557 31.541 ( 4.460 -2.938 2.849) 6.053 31.917 ( 5.841 -5.581 14.991) 17.029 32.389 ( 1.038 -7.167 3.717) 8.140 32.697 ( -11.992 8.775 25.901) 29.861 33.744 ( -24.641 26.999 -18.389) 40.918 ======================= Grid point 192 (60/100) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 0.680 -0.941 2.785) 3.017 2.555 ( 0.054 1.108 -0.961) 1.468 2.849 ( 0.253 -0.049 3.387) 3.396 2.964 ( -2.339 4.746 0.261) 5.298 3.028 ( 4.426 -4.213 3.825) 7.209 3.115 ( 0.099 0.021 -2.688) 2.689 3.274 ( -0.539 -0.873 7.367) 7.438 3.336 ( 1.299 -1.208 7.971) 8.166 3.506 ( -1.874 -0.350 6.323) 6.604 3.747 ( 1.985 -2.214 -13.259) 13.588 3.820 ( -1.520 4.056 -9.160) 10.132 3.908 ( 2.386 1.485 -8.576) 9.025 4.466 ( 2.707 -2.354 0.769) 3.669 4.499 ( 0.425 3.011 -1.473) 3.379 4.583 ( 0.346 -2.029 4.146) 4.629 4.656 ( -1.055 1.082 0.210) 1.526 4.929 ( -3.674 4.098 7.746) 9.502 5.114 ( 6.540 -2.616 -1.586) 7.221 5.929 ( -2.838 -2.202 0.627) 3.646 6.101 ( 4.268 5.966 -6.633) 9.889 6.906 ( -0.937 1.441 13.748) 13.855 7.014 ( 3.530 0.258 -1.970) 4.051 7.089 ( -0.657 -3.031 -5.682) 6.474 7.252 ( -0.556 -0.036 -7.705) 7.725 7.355 ( -1.267 -4.902 -0.286) 5.071 7.794 ( 1.235 -0.409 -5.576) 5.726 7.890 ( 1.603 1.817 17.504) 17.671 8.123 ( -1.708 1.062 21.790) 21.883 8.248 ( -6.346 -3.960 16.239) 17.879 8.495 ( 3.523 3.567 9.338) 10.599 8.914 ( 1.921 -1.066 -13.795) 13.969 8.956 ( -0.308 1.821 -10.348) 10.511 9.002 ( -6.126 -0.768 -3.909) 7.308 9.065 ( -1.535 -0.242 -23.836) 23.887 9.791 ( -2.794 0.486 2.690) 3.909 10.134 ( -2.682 -2.071 -13.927) 14.333 10.808 ( 0.894 0.496 7.336) 7.407 10.940 ( 0.187 3.466 2.241) 4.132 11.041 ( 1.804 1.443 0.177) 2.316 11.171 ( -0.986 2.674 -4.104) 4.996 11.467 ( -1.065 -4.206 9.281) 10.245 11.660 ( -0.525 -0.390 6.211) 6.245 11.900 ( 2.851 -1.634 15.691) 16.032 11.981 ( -1.056 -1.998 4.067) 4.652 12.146 ( 1.331 -0.074 1.275) 1.844 12.438 ( 0.497 -0.110 -9.706) 9.719 12.753 ( -9.181 -6.603 -16.501) 20.004 13.189 ( 9.014 5.194 -27.047) 28.978 14.889 ( -2.488 0.591 16.479) 16.676 15.155 ( -1.062 -3.185 17.159) 17.484 15.335 ( 4.482 4.805 -2.940) 7.199 15.732 ( -1.792 -1.550 -6.394) 6.819 16.505 ( 1.593 -1.036 1.576) 2.469 16.560 ( 3.498 1.765 -0.598) 3.963 16.808 ( -1.816 0.149 -1.096) 2.127 16.878 ( 0.818 1.225 -4.183) 4.435 18.432 ( -0.149 -0.646 1.348) 1.502 18.491 ( -0.065 0.800 -1.479) 1.683 19.132 ( 1.686 2.956 3.931) 5.199 19.231 ( 1.396 -0.607 -1.061) 1.855 19.512 ( -5.157 0.803 0.289) 5.227 19.556 ( 0.206 -5.789 -1.259) 5.928 19.787 ( -1.516 -0.374 0.954) 1.830 19.822 ( -1.882 -0.892 -0.674) 2.189 20.750 ( 0.329 1.238 0.018) 1.281 20.853 ( -0.562 1.323 -4.592) 4.811 21.292 ( 0.563 -0.804 6.777) 6.847 21.514 ( 1.504 0.095 -3.857) 4.140 24.578 ( 0.013 -0.284 0.207) 0.351 24.586 ( 0.015 0.401 -0.183) 0.441 25.493 ( 2.031 -0.492 10.304) 10.513 25.669 ( 0.646 -1.349 4.901) 5.124 25.992 ( 0.148 1.454 -3.872) 4.139 26.117 ( -1.623 -0.734 -8.667) 8.849 27.048 ( 0.946 2.548 5.952) 6.543 27.339 ( -1.108 -1.478 5.613) 5.909 27.452 ( -0.662 -4.684 -14.773) 15.512 27.689 ( 0.125 3.511 -11.637) 12.155 29.580 ( 1.023 1.422 0.191) 1.762 29.698 ( 2.027 1.710 0.869) 2.790 29.751 ( 1.993 2.554 -4.161) 5.274 30.065 ( 0.671 0.308 -11.297) 11.321 30.340 ( -1.634 -1.388 2.993) 3.682 30.588 ( -2.933 -3.624 -6.483) 7.985 31.509 ( 4.134 3.660 8.433) 10.079 31.588 ( 1.669 0.775 2.839) 3.383 32.059 ( -1.485 2.241 26.139) 26.277 32.225 ( -0.069 -2.833 27.723) 27.867 32.908 ( -0.437 -5.215 -12.393) 13.453 33.205 ( -7.189 0.196 -16.722) 18.203 ======================= Grid point 194 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -2.904 11.804 6.516) 13.792 2.514 ( -1.605 2.747 -1.234) 3.412 2.715 ( -4.227 18.031 8.573) 20.408 2.927 ( 1.808 -8.275 2.731) 8.900 3.097 ( 0.929 5.661 -6.459) 8.639 3.136 ( -0.388 -6.565 -3.305) 7.360 3.381 ( 4.384 -6.686 6.684) 10.422 3.403 ( 2.210 -3.039 10.972) 11.597 3.505 ( -1.422 -1.548 7.399) 7.692 3.721 ( 1.351 -1.332 -9.582) 9.768 3.849 ( -0.797 -2.921 -9.195) 9.681 3.900 ( 1.020 2.447 -10.413) 10.745 4.370 ( -0.449 11.288 7.027) 13.305 4.531 ( 1.581 -0.086 2.308) 2.799 4.576 ( 0.186 1.462 -2.101) 2.566 4.619 ( -2.135 0.640 0.398) 2.265 4.823 ( -4.800 1.493 8.376) 9.768 5.205 ( 6.091 0.812 -8.442) 10.441 5.922 ( -3.918 -1.447 -0.771) 4.247 6.024 ( 1.728 5.868 -4.289) 7.471 6.874 ( 0.716 1.929 7.759) 8.027 6.999 ( -1.841 1.854 3.469) 4.343 7.107 ( 2.093 1.727 -7.224) 7.717 7.245 ( -1.114 0.825 -5.921) 6.081 7.394 ( 0.305 1.040 -3.111) 3.294 7.795 ( 1.381 1.621 2.777) 3.500 7.853 ( -0.761 1.770 10.290) 10.469 8.134 ( -0.462 -3.330 20.709) 20.980 8.259 ( -6.229 -3.104 18.690) 19.943 8.464 ( 3.417 3.960 4.346) 6.800 8.802 ( -3.760 4.226 -2.835) 6.328 8.885 ( -0.658 4.192 -14.878) 15.471 8.963 ( -4.908 5.462 -22.150) 23.336 9.170 ( 0.848 -9.568 -10.979) 14.588 9.829 ( -1.174 -8.117 3.598) 8.956 10.154 ( -0.835 -3.505 -13.953) 14.410 10.940 ( 3.286 -10.784 5.173) 12.404 11.003 ( 2.982 -9.140 4.499) 10.615 11.085 ( 3.315 -3.342 0.320) 4.718 11.179 ( 0.720 -4.458 -2.804) 5.315 11.522 ( -0.103 -3.324 10.203) 10.731 11.696 ( 3.937 -1.324 8.130) 9.130 11.933 ( -1.321 -1.272 6.808) 7.051 12.012 ( 2.654 -0.142 10.089) 10.433 12.180 ( 2.036 -1.490 1.671) 3.026 12.470 ( 3.204 -1.538 -9.146) 9.812 12.768 ( -9.122 -5.469 -17.395) 20.389 13.175 ( 8.018 6.567 -25.909) 27.905 14.829 ( -4.289 2.230 15.888) 16.607 15.153 ( -1.898 1.434 18.711) 18.862 15.251 ( 1.318 8.100 -5.440) 9.846 15.677 ( -3.282 4.863 -5.842) 8.280 16.522 ( 2.098 1.420 0.953) 2.707 16.557 ( 3.544 2.491 -0.318) 4.344 16.755 ( -4.174 2.494 -0.260) 4.869 16.844 ( -1.053 2.464 -4.172) 4.959 18.412 ( -0.821 2.364 1.257) 2.800 18.468 ( -0.888 1.193 -1.438) 2.068 19.148 ( 1.271 -2.231 5.553) 6.118 19.287 ( 4.283 -3.250 -1.182) 5.505 19.472 ( -3.499 -1.075 3.711) 5.213 19.686 ( 2.333 -7.505 -5.800) 9.767 19.812 ( -0.178 -3.440 0.835) 3.544 19.847 ( -0.406 -3.259 -0.870) 3.398 20.759 ( 0.518 -1.769 -0.658) 1.958 20.840 ( -1.044 -0.929 -4.180) 4.408 21.260 ( -0.662 4.335 6.701) 8.009 21.493 ( 0.411 3.444 -3.994) 5.290 24.575 ( -0.057 0.407 0.241) 0.476 24.585 ( -0.018 -0.267 -0.214) 0.343 25.493 ( 2.295 2.720 10.821) 11.391 25.655 ( -1.134 2.265 5.610) 6.156 25.918 ( -1.656 5.499 -3.550) 6.752 26.104 ( -2.350 1.207 -11.377) 11.679 27.058 ( 1.075 -2.493 6.228) 6.794 27.354 ( -0.267 -0.970 4.870) 4.972 27.504 ( 1.793 -0.032 -17.505) 17.596 27.646 ( -1.913 0.571 -10.135) 10.330 29.566 ( 0.187 0.760 -0.325) 0.847 29.689 ( 1.349 1.569 -1.403) 2.500 29.711 ( 0.021 3.097 -1.081) 3.280 30.047 ( -0.215 1.579 -11.405) 11.516 30.345 ( -1.025 -0.456 3.638) 3.807 30.604 ( -1.784 -0.826 -6.019) 6.332 31.423 ( 0.016 7.939 7.984) 11.260 31.542 ( -0.488 5.345 1.154) 5.490 31.883 ( -3.823 7.179 20.398) 21.960 32.478 ( 1.445 2.494 5.365) 6.091 32.683 ( -0.923 -11.002 21.779) 24.417 33.717 ( 9.749 -36.120 -17.843) 41.450 ======================= Grid point 195 (62/100) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -2.070 16.522 14.315) 21.959 2.294 ( -3.393 23.994 14.085) 28.028 2.451 ( -2.165 3.405 -3.938) 5.638 2.889 ( -0.386 13.576 -12.376) 18.374 3.173 ( 1.139 -14.614 1.597) 14.746 3.284 ( 0.853 -9.745 -2.969) 10.223 3.455 ( 1.475 -1.366 11.266) 11.444 3.481 ( 0.855 0.387 11.063) 11.103 3.519 ( -1.849 2.482 13.865) 14.206 3.829 ( 3.160 -3.036 -6.738) 8.038 3.854 ( 0.170 -1.948 -6.206) 6.507 3.904 ( -1.756 -7.443 -5.926) 9.675 4.164 ( 0.731 8.559 8.459) 12.056 4.499 ( 0.469 4.467 1.374) 4.697 4.556 ( -1.368 3.507 -2.284) 4.403 4.593 ( -0.277 -0.694 -7.259) 7.297 4.782 ( -2.034 0.024 4.775) 5.190 5.191 ( 2.414 5.560 -14.460) 15.679 5.919 ( -2.038 -2.054 -2.245) 3.662 5.961 ( -0.120 1.608 -3.497) 3.851 6.840 ( 2.450 4.741 0.021) 5.337 6.942 ( -2.388 1.511 13.217) 13.515 7.077 ( 3.593 6.088 -5.310) 8.841 7.151 ( -4.273 5.845 -7.006) 10.075 7.322 ( -1.909 7.210 -11.539) 13.740 7.765 ( 2.316 2.806 19.805) 20.137 7.831 ( -1.035 1.362 -9.809) 9.957 8.195 ( -1.045 -1.746 16.709) 16.832 8.242 ( -2.945 -3.990 18.876) 19.517 8.430 ( 0.813 1.817 0.351) 2.021 8.760 ( -0.005 -0.346 -1.038) 1.094 8.776 ( -2.110 6.311 -20.410) 21.467 8.818 ( -2.511 5.401 -12.224) 13.598 9.273 ( 0.183 -0.278 -15.397) 15.401 10.079 ( 0.780 -21.582 7.619) 22.900 10.322 ( 1.038 -17.938 -8.434) 19.849 11.102 ( -0.793 -7.282 8.743) 11.406 11.241 ( 4.117 -8.936 7.441) 12.336 11.305 ( 2.834 -10.833 -1.546) 11.304 11.334 ( 2.660 -19.778 2.871) 20.161 11.581 ( 0.033 -3.516 8.759) 9.438 11.784 ( 8.763 -2.047 8.854) 12.624 11.934 ( -3.589 -2.125 3.051) 5.168 12.011 ( 0.387 2.401 9.315) 9.627 12.217 ( 0.889 -0.676 0.129) 1.124 12.544 ( 6.396 -0.844 -7.613) 9.979 12.753 ( -8.758 -3.045 -19.399) 21.501 13.107 ( 5.011 9.271 -23.872) 26.094 14.739 ( -3.458 3.272 13.691) 14.495 15.055 ( -0.935 8.952 15.784) 18.170 15.105 ( -1.444 8.476 -3.807) 9.403 15.519 ( -2.398 9.078 -5.020) 10.647 16.494 ( 1.733 4.010 0.438) 4.391 16.539 ( 2.360 3.600 -1.637) 4.605 16.662 ( -4.219 2.311 1.639) 5.082 16.780 ( -1.701 3.097 -3.889) 5.254 18.346 ( -0.767 4.011 1.978) 4.537 18.431 ( -0.862 2.102 -2.102) 3.095 19.194 ( 0.460 -1.520 9.621) 9.751 19.408 ( 3.299 -2.763 7.327) 8.497 19.512 ( -0.928 -9.157 -2.367) 9.504 19.844 ( 2.769 -7.345 -9.894) 12.630 19.894 ( 0.429 -5.606 0.358) 5.634 19.919 ( 0.456 -4.751 -0.786) 4.837 20.818 ( 0.560 -4.492 -1.374) 4.731 20.872 ( -0.979 -4.085 -3.056) 5.194 21.148 ( -0.925 6.964 5.845) 9.139 21.403 ( -0.206 7.090 -5.116) 8.746 24.569 ( -0.050 0.196 0.483) 0.523 24.589 ( -0.033 -0.147 -0.439) 0.464 25.454 ( 2.935 4.956 8.934) 10.630 25.590 ( -0.746 3.387 4.557) 5.727 25.787 ( -2.908 6.653 -3.025) 7.866 26.005 ( -3.124 7.744 -15.241) 17.379 27.137 ( 0.712 -4.774 4.725) 6.754 27.364 ( 0.179 -0.198 3.883) 3.892 27.493 ( 4.328 4.189 -13.090) 14.409 27.598 ( -5.351 1.988 -12.085) 13.365 29.565 ( -0.573 -1.082 -0.514) 1.327 29.629 ( -0.825 5.146 -4.462) 6.861 29.682 ( 0.391 0.793 6.279) 6.341 30.025 ( 0.120 0.674 -10.525) 10.547 30.334 ( -0.410 0.831 1.997) 2.201 30.579 ( -0.536 2.406 -7.058) 7.476 31.270 ( -1.371 8.309 7.744) 11.441 31.404 ( -1.473 9.044 0.230) 9.166 31.761 ( -1.462 4.210 13.867) 14.566 32.221 ( -2.276 13.909 -8.777) 16.604 33.295 ( 7.979 -43.050 49.470) 66.062 34.481 ( 7.683 -41.229 -16.906) 45.218 ======================= Grid point 196 (63/100) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -0.000 15.710 22.513) 27.452 1.867 ( -0.000 21.510 22.837) 31.372 2.384 ( -0.000 2.989 -8.156) 8.687 2.659 ( -0.000 11.854 -14.326) 18.594 3.213 ( -0.000 21.569 39.361) 44.884 3.392 ( 0.000 -6.294 4.941) 8.001 3.474 ( -0.000 0.215 12.205) 12.207 3.489 ( 0.000 -14.699 -0.522) 14.708 3.584 ( 0.000 -9.117 4.226) 10.048 3.870 ( 0.000 -0.483 -7.109) 7.125 3.886 ( 0.000 -0.078 -4.720) 4.721 4.112 ( 0.000 -13.535 -2.183) 13.710 4.170 ( 0.000 -7.841 1.515) 7.986 4.390 ( -0.000 7.871 0.253) 7.875 4.452 ( -0.000 7.074 -2.406) 7.472 4.610 ( 0.000 -1.081 -11.626) 11.676 4.753 ( -0.000 2.795 -1.004) 2.970 5.080 ( -0.000 7.976 -19.856) 21.398 5.956 ( 0.000 -2.971 -3.436) 4.542 5.981 ( 0.000 -3.860 -6.698) 7.731 6.750 ( -0.000 6.872 -0.011) 6.872 6.846 ( -0.000 11.931 13.699) 18.167 6.942 ( -0.000 7.985 -7.943) 11.263 7.084 ( -0.000 1.648 -13.419) 13.520 7.093 ( -0.000 14.074 -6.629) 15.558 7.753 ( -0.000 1.061 21.642) 21.668 7.773 ( -0.000 2.938 -14.924) 15.211 8.192 ( 0.000 -0.168 13.915) 13.916 8.329 ( 0.000 -4.964 15.694) 16.461 8.448 ( 0.000 -3.896 -0.055) 3.896 8.667 ( -0.000 4.344 -20.434) 20.891 8.732 ( -0.000 2.729 -1.297) 3.021 8.785 ( 0.000 -1.461 -2.923) 3.267 9.197 ( -0.000 7.563 -19.398) 20.820 10.560 ( 0.000 -32.025 12.449) 34.359 10.764 ( 0.000 -30.288 -1.718) 30.337 11.197 ( 0.000 -3.876 14.801) 15.300 11.390 ( 0.000 -5.100 18.471) 19.162 11.463 ( 0.000 -7.679 -3.320) 8.366 11.646 ( 0.000 -4.033 5.079) 6.486 11.786 ( 0.000 -27.500 2.738) 27.636 11.907 ( 0.000 -1.256 8.275) 8.370 11.945 ( -0.000 2.950 -2.261) 3.716 11.969 ( 0.000 -6.295 7.247) 9.599 12.217 ( -0.000 0.460 -1.549) 1.616 12.585 ( -0.000 1.803 -4.411) 4.765 12.725 ( 0.000 -0.819 -25.150) 25.163 12.946 ( -0.000 12.465 -21.918) 25.215 14.666 ( -0.000 2.830 10.627) 10.998 14.822 ( -0.000 17.497 16.981) 24.382 14.939 ( -0.000 8.544 -3.281) 9.153 15.358 ( -0.000 8.147 -8.192) 11.553 16.424 ( -0.000 4.646 0.324) 4.658 16.472 ( -0.000 5.135 -2.227) 5.597 16.618 ( -0.000 0.507 1.819) 1.889 16.717 ( -0.000 2.958 -3.029) 4.234 18.271 ( -0.000 3.976 2.731) 4.823 18.384 ( -0.000 2.550 -2.704) 3.716 19.202 ( -0.000 0.920 16.451) 16.477 19.439 ( 0.000 -0.690 12.998) 13.017 19.735 ( 0.000 -14.371 -9.106) 17.013 19.967 ( 0.000 -4.919 -9.332) 10.549 20.000 ( 0.000 -5.904 -3.161) 6.697 20.006 ( 0.000 -4.745 -0.666) 4.791 20.916 ( 0.000 -5.684 0.513) 5.707 20.956 ( 0.000 -4.914 -1.413) 5.114 21.043 ( -0.000 2.481 2.394) 3.448 21.257 ( -0.000 8.985 -6.199) 10.916 24.569 ( 0.000 -0.141 0.514) 0.533 24.589 ( -0.000 0.065 -0.470) 0.474 25.366 ( -0.000 7.038 4.897) 8.574 25.548 ( -0.000 1.684 2.940) 3.388 25.657 ( -0.000 5.924 -2.261) 6.341 25.755 ( -0.000 19.095 -18.222) 26.394 27.209 ( 0.000 -2.832 2.283) 3.638 27.368 ( 0.000 -0.184 2.825) 2.831 27.424 ( -0.000 8.646 -12.610) 15.289 27.496 ( -0.000 3.263 -3.285) 4.630 29.524 ( -0.000 5.573 1.569) 5.790 29.607 ( 0.000 -4.037 -1.940) 4.479 29.677 ( -0.000 0.175 7.262) 7.264 30.024 ( 0.000 -0.292 -9.580) 9.585 30.315 ( -0.000 0.846 -0.509) 0.988 30.515 ( -0.000 4.602 -8.406) 9.584 31.132 ( -0.000 6.527 6.385) 9.131 31.225 ( -0.000 10.228 1.154) 10.293 31.704 ( -0.000 1.713 8.682) 8.850 32.000 ( -0.000 10.647 -5.813) 12.130 34.237 ( 0.000 -59.442 48.322) 76.605 35.215 ( 0.000 -37.506 -12.147) 39.424 ======================= Grid point 199 (64/100) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 23.286 0.000 17.298) 29.008 1.921 ( 17.445 0.000 21.484) 27.675 2.532 ( 5.118 0.000 -8.599) 10.007 2.582 ( 9.552 0.000 -12.218) 15.509 3.212 ( 9.443 0.000 30.887) 32.299 3.408 ( -2.138 -0.000 10.387) 10.605 3.477 ( 0.432 0.000 11.036) 11.044 3.635 ( -9.811 -0.000 -5.203) 11.105 3.709 ( -11.604 -0.000 -3.367) 12.082 3.810 ( -8.964 -0.000 2.778) 9.385 3.845 ( 1.893 0.000 9.119) 9.313 3.868 ( 0.687 0.000 -6.344) 6.381 4.003 ( -3.264 -0.000 -6.811) 7.553 4.547 ( 0.306 0.000 -4.126) 4.137 4.613 ( 2.524 0.000 -0.591) 2.592 4.618 ( 4.165 0.000 1.572) 4.452 4.681 ( 5.563 0.000 -1.720) 5.823 4.982 ( 2.617 0.000 -24.457) 24.596 5.823 ( -6.373 -0.000 2.255) 6.760 6.206 ( 4.560 0.000 -16.940) 17.543 6.624 ( -1.517 -0.000 14.655) 14.733 6.689 ( 10.347 0.000 -3.362) 10.879 6.925 ( 9.339 0.000 -3.820) 10.090 7.117 ( -0.884 -0.000 -6.042) 6.106 7.360 ( 5.346 0.000 -3.759) 6.536 7.697 ( -2.262 -0.000 -10.502) 10.743 7.769 ( 5.881 0.000 12.736) 14.028 8.195 ( 2.335 0.000 11.888) 12.115 8.340 ( -2.485 -0.000 12.503) 12.748 8.530 ( -3.751 -0.000 -11.395) 11.997 8.621 ( 4.593 0.000 5.723) 7.338 8.824 ( 1.578 0.000 -7.021) 7.196 8.950 ( 5.534 0.000 -2.871) 6.235 9.117 ( 5.476 0.000 -26.506) 27.066 10.600 ( -33.902 -0.000 7.897) 34.809 10.615 ( -26.928 -0.000 4.318) 27.272 11.262 ( 0.593 0.000 10.955) 10.971 11.359 ( -10.354 -0.000 -3.210) 10.840 11.381 ( -8.665 -0.000 13.089) 15.697 11.604 ( -6.206 -0.000 4.207) 7.498 11.677 ( 5.795 0.000 15.552) 16.596 11.690 ( -23.037 -0.000 -0.235) 23.038 11.897 ( -2.130 -0.000 -9.087) 9.333 11.947 ( -3.711 -0.000 13.481) 13.983 12.357 ( 0.597 0.000 -12.988) 13.002 12.407 ( 0.153 0.000 11.564) 11.565 12.680 ( 2.663 0.000 -21.743) 21.906 13.188 ( 12.721 0.000 -27.722) 30.501 14.450 ( 4.700 0.000 22.092) 22.587 14.920 ( 0.787 0.000 13.459) 13.482 15.207 ( 19.332 0.000 -2.754) 19.527 15.254 ( 6.056 0.000 -16.851) 17.906 16.358 ( 0.107 0.000 0.014) 0.108 16.386 ( 2.672 0.000 -1.045) 2.869 16.798 ( 5.346 0.000 0.278) 5.353 16.826 ( 5.396 0.000 -1.284) 5.547 18.276 ( 3.309 0.000 3.718) 4.977 18.429 ( 3.853 0.000 -3.612) 5.281 19.148 ( -0.844 -0.000 21.402) 21.419 19.361 ( -3.800 -0.000 9.284) 10.032 19.689 ( -11.243 -0.000 -7.421) 13.471 19.941 ( -5.408 -0.000 -8.748) 10.285 19.974 ( -5.192 -0.000 0.097) 5.192 20.034 ( -5.438 -0.000 -10.641) 11.950 20.898 ( -3.650 -0.000 0.827) 3.743 20.941 ( 3.015 0.000 6.493) 7.159 21.018 ( -3.594 -0.000 -0.981) 3.726 21.320 ( 7.574 0.000 -7.378) 10.574 24.580 ( 0.000 0.000 0.136) 0.136 24.585 ( 0.120 0.000 -0.130) 0.177 25.144 ( 3.959 0.000 4.858) 6.267 25.309 ( 4.771 0.000 -3.145) 5.714 25.679 ( 3.774 0.000 8.218) 9.043 26.152 ( 10.758 0.000 -16.609) 19.789 27.208 ( -0.075 -0.000 4.658) 4.658 27.277 ( 1.946 0.000 -0.320) 1.972 27.381 ( -1.028 -0.000 2.767) 2.952 27.796 ( 9.854 0.000 -21.811) 23.934 29.432 ( 0.153 0.000 8.873) 8.874 29.699 ( 3.077 0.000 6.387) 7.089 29.837 ( 0.893 0.000 -10.690) 10.728 29.932 ( 2.047 0.000 -4.378) 4.833 30.422 ( 4.677 0.000 -3.284) 5.715 30.450 ( 0.538 0.000 -5.085) 5.114 31.230 ( 8.972 0.000 3.090) 9.489 31.234 ( 9.458 0.000 2.949) 9.907 31.767 ( 2.640 0.000 4.429) 5.156 31.909 ( 7.595 0.000 -2.433) 7.975 33.960 ( -54.811 -0.000 49.497) 73.853 35.030 ( -38.897 -0.000 -14.144) 41.389 ======================= Grid point 200 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 17.758 -1.487 14.147) 22.753 2.244 ( 22.624 -8.606 12.754) 27.360 2.573 ( 6.036 0.950 -8.281) 10.291 2.722 ( 7.490 -4.545 -6.894) 11.148 3.250 ( -5.940 0.587 11.169) 12.664 3.369 ( -3.754 2.055 6.912) 8.130 3.478 ( -1.359 -0.406 9.020) 9.131 3.504 ( -9.130 4.010 0.890) 10.012 3.523 ( -5.647 5.952 -1.081) 8.276 3.700 ( -6.875 1.608 -2.641) 7.538 3.898 ( -0.716 -0.984 -5.240) 5.380 3.971 ( 3.670 -2.263 -2.691) 5.083 3.988 ( 7.924 -4.793 10.062) 13.675 4.564 ( 0.923 -1.309 -1.542) 2.224 4.614 ( 1.949 3.529 -2.151) 4.569 4.620 ( 2.349 1.026 -0.342) 2.586 4.796 ( 4.533 -5.196 -0.767) 6.937 5.027 ( 1.692 -2.137 -14.244) 14.503 5.784 ( -3.879 -1.869 4.709) 6.381 6.239 ( 4.736 1.266 -16.985) 17.678 6.669 ( -1.822 -6.669 16.771) 18.140 6.785 ( 7.752 -0.835 -2.999) 8.354 7.021 ( 5.859 -0.703 -4.341) 7.326 7.153 ( -0.974 -4.881 -3.515) 6.093 7.366 ( -1.184 1.253 -2.353) 2.917 7.640 ( -1.666 2.214 -2.852) 3.976 7.848 ( 4.797 -1.676 10.559) 11.718 8.236 ( 1.246 -0.127 8.749) 8.838 8.327 ( -1.767 -1.024 16.518) 16.644 8.484 ( -2.167 0.027 -5.648) 6.050 8.700 ( 3.733 -3.147 -2.900) 5.679 8.849 ( 3.641 -0.655 -10.877) 11.489 8.958 ( 4.534 3.835 -5.884) 8.360 9.198 ( 3.689 -2.289 -25.170) 25.542 10.181 ( -23.616 9.413 8.116) 26.687 10.355 ( -22.937 2.992 -3.198) 23.351 11.216 ( -11.706 3.465 0.246) 12.210 11.258 ( -0.593 -0.125 8.062) 8.085 11.306 ( -6.438 -0.345 6.171) 8.925 11.448 ( -13.402 4.860 1.066) 14.296 11.534 ( -9.227 2.193 6.148) 11.302 11.742 ( 5.477 -0.203 14.770) 15.754 11.826 ( -2.397 6.264 9.051) 11.265 11.900 ( -2.003 -0.401 -0.625) 2.137 12.331 ( 0.332 5.954 5.220) 7.925 12.399 ( -0.017 -2.100 -8.909) 9.153 12.677 ( 1.259 2.587 -16.901) 17.144 13.285 ( 10.236 2.029 -28.606) 30.450 14.600 ( 4.261 -10.799 20.978) 23.976 14.909 ( -0.286 0.633 16.496) 16.511 15.357 ( 7.291 -2.352 -11.197) 13.567 15.412 ( 13.241 -4.166 -8.488) 16.270 16.378 ( 0.056 -2.173 0.756) 2.301 16.442 ( 2.328 -3.261 -1.999) 4.477 16.832 ( 4.073 1.486 0.366) 4.351 16.876 ( 4.884 0.221 -1.858) 5.230 18.321 ( 2.758 -1.446 3.601) 4.761 18.471 ( 3.207 -0.485 -3.574) 4.827 19.153 ( -0.895 -1.734 17.081) 17.192 19.319 ( -3.692 0.486 7.829) 8.669 19.570 ( -9.138 1.703 -5.413) 10.756 19.824 ( -5.403 7.103 -11.157) 14.287 19.909 ( -5.079 1.502 0.010) 5.296 19.941 ( -5.596 3.051 -3.603) 7.322 20.870 ( -1.242 0.225 1.143) 1.703 20.967 ( -1.449 2.217 -3.516) 4.402 21.031 ( 2.328 -5.630 8.568) 10.513 21.395 ( 6.702 -0.499 -8.011) 10.457 24.576 ( 0.007 0.301 0.352) 0.463 24.590 ( 0.115 -0.265 -0.335) 0.442 25.266 ( 3.911 -8.335 3.315) 9.786 25.368 ( 4.423 -1.434 -1.378) 4.849 25.741 ( 1.362 -3.632 9.090) 9.883 26.221 ( 5.952 1.599 -14.138) 15.423 27.220 ( -1.198 -2.028 6.014) 6.459 27.279 ( 1.977 2.253 0.061) 2.998 27.361 ( -1.499 0.830 1.769) 2.463 27.856 ( 4.647 1.873 -24.126) 24.641 29.475 ( -0.138 -4.494 7.610) 8.840 29.727 ( 3.939 0.672 5.739) 6.993 29.839 ( -0.831 -1.239 -9.215) 9.335 29.968 ( 6.355 1.468 -4.309) 7.817 30.432 ( -0.902 1.965 -4.754) 5.223 30.455 ( 3.460 1.149 -5.436) 6.546 31.347 ( 8.572 -3.051 5.028) 10.396 31.374 ( 8.832 -4.903 3.198) 10.595 31.814 ( 4.687 -1.653 6.358) 8.070 32.038 ( 8.880 -4.998 -4.279) 11.052 33.326 ( -40.888 14.655 48.608) 65.187 34.513 ( -38.150 13.753 -17.420) 44.136 ======================= Grid point 201 (66/100) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 12.962 -3.936 8.429) 15.955 2.606 ( 4.002 1.623 -5.498) 6.991 2.613 ( 15.992 -10.450 7.355) 20.470 2.858 ( 3.512 -4.624 -1.780) 6.074 3.112 ( -5.087 5.661 4.733) 8.963 3.250 ( -6.603 4.794 -1.812) 8.359 3.337 ( -6.538 3.115 4.079) 8.312 3.430 ( -1.851 4.016 5.269) 6.879 3.475 ( -2.704 -1.254 7.698) 8.255 3.652 ( -0.895 -1.225 -9.063) 9.189 3.892 ( -0.588 0.220 -7.271) 7.298 3.983 ( -0.334 -0.478 -8.888) 8.907 4.268 ( 13.663 -8.310 10.706) 19.244 4.553 ( 0.914 3.979 1.431) 4.326 4.597 ( 0.519 -0.477 -2.551) 2.646 4.621 ( -0.256 -0.183 0.269) 0.414 4.930 ( 5.529 -4.836 0.663) 7.375 5.062 ( -0.383 -0.629 -3.903) 3.972 5.811 ( -1.985 -4.105 5.911) 7.465 6.257 ( 5.015 2.382 -14.838) 15.843 6.793 ( -1.707 -8.846 19.950) 21.890 6.890 ( 5.865 -3.775 -2.218) 7.319 7.058 ( 1.320 0.006 -3.404) 3.651 7.204 ( -0.243 -0.940 -6.645) 6.716 7.312 ( -3.200 2.081 -3.304) 5.048 7.649 ( -0.402 -4.879 0.443) 4.916 7.914 ( 4.576 -0.574 12.813) 13.617 8.203 ( -3.126 1.790 15.207) 15.628 8.288 ( -2.423 3.315 12.081) 12.760 8.500 ( -2.102 -2.344 6.127) 6.889 8.782 ( 3.618 -2.498 -8.435) 9.512 8.913 ( 3.372 -0.318 -16.040) 16.393 8.959 ( 2.985 -1.848 -11.363) 11.892 9.210 ( -1.944 3.057 -19.164) 19.504 9.887 ( -10.673 4.151 2.259) 11.673 10.112 ( -13.902 2.374 -7.931) 16.180 11.029 ( -10.235 4.908 2.150) 11.553 11.213 ( -0.554 7.799 7.564) 10.878 11.220 ( -7.823 6.608 1.102) 10.299 11.309 ( -0.484 -2.971 6.199) 6.891 11.382 ( -3.513 5.485 4.064) 7.677 11.672 ( -4.589 4.433 4.557) 7.841 11.835 ( 4.620 -1.927 15.470) 16.260 11.895 ( -1.930 -1.634 2.205) 3.355 12.235 ( 1.607 5.436 6.242) 8.432 12.432 ( -1.342 -2.035 -12.143) 12.386 12.626 ( -2.381 2.057 -12.908) 13.286 13.327 ( 7.806 3.182 -29.267) 30.457 14.848 ( 3.471 -10.990 18.246) 21.581 14.903 ( -1.750 -2.092 19.509) 19.699 15.444 ( 7.120 0.763 -6.875) 9.927 15.583 ( 5.131 -4.582 -9.933) 12.082 16.427 ( 0.515 -3.003 1.511) 3.401 16.530 ( 2.375 -3.875 -3.177) 5.545 16.831 ( 2.219 2.128 0.758) 3.167 16.911 ( 3.779 0.789 -3.178) 5.000 18.372 ( 1.453 -1.923 3.010) 3.856 18.501 ( 1.735 -0.064 -3.157) 3.603 19.190 ( 0.721 -2.460 9.876) 10.203 19.276 ( -2.451 0.888 5.020) 5.656 19.465 ( -5.538 1.473 -2.470) 6.240 19.627 ( -5.751 7.928 -8.092) 12.704 19.831 ( -4.035 2.021 0.208) 4.517 19.844 ( -4.525 2.085 -0.309) 4.992 20.850 ( 0.490 2.471 0.264) 2.533 20.917 ( -0.600 2.083 -2.446) 3.268 21.155 ( 1.608 -5.980 7.634) 9.830 21.469 ( 4.645 -1.454 -7.014) 8.537 24.572 ( 0.015 0.086 0.544) 0.551 24.594 ( 0.102 -0.036 -0.504) 0.516 25.423 ( 3.998 -2.841 2.917) 5.707 25.490 ( 4.363 -9.038 1.728) 10.184 25.815 ( -2.650 -5.678 6.439) 8.984 26.220 ( 2.948 3.494 -10.713) 11.648 27.227 ( 0.971 4.880 2.378) 5.515 27.253 ( -1.650 -2.652 5.902) 6.677 27.338 ( -1.145 -0.273 -1.905) 2.239 27.830 ( 1.017 3.858 -21.726) 22.090 29.555 ( -0.276 -4.315 6.321) 7.658 29.751 ( 3.560 1.172 5.665) 6.793 29.853 ( 2.064 0.914 -7.818) 8.137 30.016 ( 5.015 -0.885 -5.766) 7.693 30.369 ( -2.030 3.320 -4.771) 6.157 30.462 ( -0.210 -0.606 -7.584) 7.611 31.486 ( 7.331 -3.534 9.280) 12.343 31.541 ( 6.987 -4.277 4.306) 9.255 31.913 ( 6.814 -2.819 8.610) 11.336 32.253 ( 7.906 -9.996 -5.786) 13.997 32.737 ( -24.645 14.136 39.504) 48.660 33.871 ( -31.058 19.470 -18.857) 41.222 ======================= Grid point 202 (67/100) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 4.548 -2.548 4.204) 6.697 2.588 ( 0.613 2.514 -2.028) 3.288 2.854 ( 4.647 -3.396 2.511) 6.280 2.925 ( -0.902 -2.490 0.480) 2.691 3.067 ( 4.887 -0.158 2.803) 5.635 3.116 ( -5.403 2.356 0.527) 5.918 3.274 ( -0.318 0.920 6.691) 6.761 3.346 ( -0.225 2.631 6.603) 7.111 3.464 ( -3.723 -1.408 6.312) 7.462 3.718 ( 3.806 -3.428 -12.664) 13.661 3.878 ( -0.678 1.750 -8.900) 9.096 3.965 ( 0.898 2.411 -9.276) 9.626 4.462 ( 5.399 -2.185 2.262) 6.248 4.528 ( 1.087 -0.706 2.519) 2.833 4.574 ( -0.115 1.700 0.977) 1.964 4.635 ( -1.672 -1.420 1.073) 2.442 4.994 ( -0.482 5.234 4.317) 6.802 5.109 ( 5.830 -5.916 -1.621) 8.463 5.859 ( -2.131 -3.237 5.682) 6.878 6.244 ( 4.098 4.851 -11.761) 13.366 6.896 ( -0.523 -3.348 21.151) 21.421 7.020 ( 3.142 -4.868 -3.333) 6.684 7.056 ( 1.158 0.843 -1.589) 2.139 7.231 ( 0.641 -3.374 -7.294) 8.062 7.251 ( -4.601 -0.297 -4.872) 6.708 7.758 ( 1.157 -5.766 -5.125) 7.801 7.953 ( 4.540 1.470 16.244) 16.931 8.136 ( -3.014 1.808 19.694) 20.005 8.183 ( -4.210 4.618 17.602) 18.678 8.506 ( -3.648 -2.928 11.947) 12.830 8.866 ( 2.208 -3.728 -12.657) 13.379 8.944 ( 1.837 -0.700 -14.823) 14.952 9.017 ( -1.205 -0.448 -16.192) 16.243 9.075 ( -3.292 6.564 -15.722) 17.352 9.785 ( -3.295 1.575 -1.893) 4.114 10.036 ( -5.246 -4.115 -12.347) 14.033 10.875 ( -4.391 3.643 5.752) 8.102 10.994 ( -0.922 10.910 11.623) 15.968 11.103 ( -2.629 2.345 -2.655) 4.411 11.290 ( 4.167 7.331 -1.419) 8.551 11.390 ( 0.782 -4.117 4.836) 6.399 11.580 ( -7.300 -2.253 1.260) 7.743 11.900 ( 0.835 -1.761 7.178) 7.438 11.939 ( 2.763 -3.090 12.329) 13.007 12.181 ( 1.628 2.717 10.521) 10.988 12.443 ( 0.044 -0.526 -13.609) 13.619 12.584 ( -5.866 -2.316 -12.183) 13.719 13.338 ( 6.061 3.487 -29.520) 30.337 14.874 ( -2.197 0.527 20.438) 20.562 15.066 ( 1.333 -7.936 17.986) 19.704 15.469 ( 6.130 4.219 -7.054) 10.253 15.665 ( -1.619 -3.300 -8.138) 8.930 16.486 ( 1.120 -2.802 2.000) 3.620 16.607 ( 3.193 -1.541 -3.229) 4.795 16.806 ( -0.420 1.860 0.797) 2.067 16.919 ( 2.007 1.800 -4.336) 5.105 18.411 ( 0.242 -1.543 2.154) 2.661 18.506 ( 0.408 0.729 -2.412) 2.552 19.223 ( -0.453 2.951 3.709) 4.761 19.243 ( 4.253 0.561 2.012) 4.738 19.440 ( -3.084 -4.386 -0.991) 5.453 19.476 ( -6.168 2.248 -2.619) 7.068 19.771 ( -2.450 0.904 0.636) 2.688 19.789 ( -2.846 -0.011 -0.147) 2.850 20.797 ( 0.532 3.540 0.184) 3.584 20.880 ( -0.442 1.990 -3.134) 3.739 21.258 ( 1.030 -4.054 7.502) 8.590 21.526 ( 2.373 -0.831 -5.431) 5.984 24.573 ( 0.014 -0.181 0.486) 0.519 24.593 ( 0.052 0.297 -0.440) 0.533 25.497 ( 3.010 -1.888 7.623) 8.410 25.650 ( 3.370 -3.112 7.118) 8.468 25.901 ( -3.694 -8.682 -2.999) 9.901 26.164 ( 0.792 5.139 -8.354) 9.840 27.137 ( 1.157 6.000 3.394) 6.990 27.285 ( -1.913 -2.966 7.028) 7.865 27.363 ( -0.604 -3.701 -7.847) 8.697 27.761 ( -0.007 4.357 -17.055) 17.603 29.601 ( 0.437 -0.849 4.147) 4.255 29.752 ( 2.331 2.040 5.462) 6.279 29.841 ( 2.944 3.492 -8.395) 9.557 30.080 ( 3.533 -0.612 -9.233) 9.904 30.303 ( -3.216 0.535 -1.523) 3.599 30.483 ( -2.605 -3.644 -6.998) 8.309 31.597 ( 5.497 -1.242 10.992) 12.352 31.628 ( 4.183 1.030 4.877) 6.507 32.037 ( 5.793 -4.058 15.806) 17.316 32.262 ( -9.447 9.561 28.835) 31.814 32.660 ( 4.647 -18.905 -9.199) 21.532 33.280 ( -20.713 18.171 -17.643) 32.719 ======================= Grid point 203 (68/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -0.559 3.322 2.901) 4.446 2.549 ( -0.427 2.412 -0.736) 2.557 2.857 ( 0.499 0.150 5.073) 5.100 2.952 ( 0.643 9.557 3.854) 10.325 3.024 ( -1.934 -3.643 0.271) 4.133 3.137 ( 0.269 -2.569 -3.333) 4.217 3.298 ( 1.958 -4.105 7.454) 8.732 3.389 ( 3.501 -3.059 8.106) 9.345 3.457 ( -3.019 -1.736 7.192) 7.991 3.774 ( 0.525 5.288 -10.722) 11.967 3.806 ( 0.044 -1.077 -11.395) 11.446 3.954 ( 1.641 1.357 -10.033) 10.256 4.510 ( 1.843 3.228 1.989) 4.216 4.522 ( 1.401 -1.221 1.233) 2.230 4.590 ( 0.099 -1.383 2.170) 2.575 4.618 ( -2.157 1.292 0.925) 2.679 4.847 ( -3.159 7.462 10.821) 13.519 5.253 ( 5.244 -2.608 -8.504) 10.326 5.872 ( -2.232 -1.168 4.591) 5.237 6.165 ( 1.846 7.540 -8.038) 11.174 6.910 ( 1.249 0.822 15.378) 15.450 7.009 ( -2.579 1.966 -1.417) 3.538 7.137 ( 4.316 -1.577 -5.625) 7.264 7.218 ( -2.878 -1.378 -6.077) 6.864 7.343 ( -0.088 -6.611 -1.489) 6.777 7.821 ( 1.033 -0.033 -13.399) 13.439 7.930 ( 2.218 6.202 23.464) 24.371 8.092 ( -0.823 -0.658 22.808) 22.833 8.128 ( -4.959 -4.524 22.322) 23.310 8.532 ( 0.480 -0.543 9.980) 10.006 8.857 ( -3.795 6.079 -3.674) 8.053 8.945 ( 0.571 2.222 -16.907) 17.062 8.985 ( 0.700 -1.231 -18.670) 18.723 9.026 ( -1.636 -2.616 -21.845) 22.061 9.752 ( -1.037 -0.486 0.941) 1.482 10.087 ( -1.399 -4.130 -15.018) 15.638 10.849 ( 1.743 -2.738 7.801) 8.449 10.897 ( -1.978 -1.845 7.621) 8.087 11.095 ( 0.655 -2.344 -3.358) 4.147 11.185 ( 2.630 7.331 -4.733) 9.114 11.454 ( -0.434 -3.857 7.503) 8.447 11.629 ( -1.756 -7.123 0.938) 7.396 11.922 ( 0.160 -0.193 9.768) 9.772 12.013 ( 1.858 -2.086 9.614) 10.011 12.179 ( 1.661 -0.418 12.403) 12.521 12.475 ( 3.518 -1.689 -12.115) 12.728 12.587 ( -7.260 -5.286 -13.947) 16.588 13.325 ( 3.920 4.025 -28.643) 29.188 14.831 ( -2.224 1.794 19.903) 20.107 15.149 ( 0.084 -1.314 18.921) 18.966 15.409 ( 2.494 7.815 -9.023) 12.195 15.682 ( -2.242 -0.973 -6.323) 6.779 16.537 ( 1.145 -1.496 1.975) 2.730 16.643 ( 4.234 1.507 -2.112) 4.966 16.753 ( -3.292 2.323 0.754) 4.099 16.888 ( 0.181 2.971 -4.861) 5.700 18.426 ( -0.258 -0.061 1.327) 1.353 18.486 ( -0.208 1.538 -1.587) 2.220 19.162 ( 0.824 2.697 4.711) 5.491 19.289 ( 3.903 -1.093 -1.640) 4.372 19.416 ( -4.275 -0.805 1.964) 4.773 19.546 ( -0.765 -9.017 -3.904) 9.855 19.761 ( -0.851 -1.698 0.865) 2.087 19.790 ( -0.993 -2.312 -0.560) 2.578 20.757 ( 0.265 1.249 0.055) 1.278 20.842 ( -0.406 1.627 -3.622) 3.992 21.300 ( 0.246 0.200 7.106) 7.113 21.539 ( 0.770 1.211 -4.388) 4.616 24.578 ( -0.006 -0.234 0.221) 0.321 24.586 ( 0.007 0.438 -0.184) 0.475 25.541 ( 2.137 -0.077 11.330) 11.530 25.666 ( -0.937 1.366 10.338) 10.470 26.007 ( 1.848 -1.435 -8.845) 9.149 26.071 ( -2.847 2.614 -8.251) 9.111 27.067 ( 0.627 2.620 5.353) 5.993 27.320 ( -0.598 -2.469 5.704) 6.244 27.444 ( -0.192 -5.673 -14.335) 15.418 27.688 ( -0.103 4.009 -12.254) 12.894 29.597 ( 0.457 1.624 1.553) 2.293 29.732 ( 1.072 2.094 5.211) 5.718 29.791 ( 1.480 4.717 -9.383) 10.606 30.084 ( 0.961 2.459 -11.935) 12.223 30.301 ( -1.722 -2.705 2.836) 4.281 30.534 ( -1.819 -4.458 -5.172) 7.066 31.577 ( 1.932 7.671 6.440) 10.200 31.621 ( 1.343 3.035 5.193) 6.162 31.983 ( -2.989 8.271 25.188) 26.679 32.297 ( 3.641 -14.900 27.269) 31.287 32.781 ( -6.624 15.892 -14.102) 22.256 33.197 ( 1.837 -29.941 -16.047) 34.020 ======================= Grid point 204 (69/100) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.000 12.573 7.541) 14.661 2.496 ( -0.000 3.112 -1.235) 3.348 2.672 ( -0.000 20.382 10.002) 22.704 2.951 ( 0.000 -10.339 4.077) 11.114 3.100 ( -0.000 8.686 -10.075) 13.302 3.131 ( 0.000 -8.052 -3.249) 8.683 3.419 ( 0.000 -6.020 8.991) 10.820 3.460 ( 0.000 -1.774 7.665) 7.868 3.465 ( 0.000 -3.744 10.680) 11.317 3.743 ( 0.000 -4.148 -7.669) 8.719 3.838 ( 0.000 -1.536 -10.742) 10.851 3.909 ( -0.000 4.814 -9.447) 10.602 4.370 ( -0.000 12.954 9.237) 15.910 4.567 ( 0.000 -1.837 -2.331) 2.968 4.571 ( -0.000 2.877 0.830) 2.995 4.592 ( -0.000 1.122 -0.025) 1.122 4.761 ( -0.000 0.218 9.906) 9.908 5.279 ( -0.000 2.456 -13.269) 13.495 5.877 ( 0.000 -1.158 1.927) 2.248 6.043 ( -0.000 6.886 -4.567) 8.263 6.917 ( 0.000 -0.386 14.152) 14.158 6.938 ( -0.000 3.914 -2.397) 4.589 7.149 ( -0.000 1.725 -10.460) 10.601 7.220 ( -0.000 1.730 -1.599) 2.356 7.396 ( -0.000 1.236 -4.829) 4.985 7.824 ( 0.000 -0.588 -13.953) 13.966 7.835 ( -0.000 4.521 26.108) 26.497 8.138 ( 0.000 -4.123 20.996) 21.397 8.176 ( 0.000 -2.456 22.209) 22.344 8.501 ( -0.000 4.258 2.139) 4.765 8.760 ( -0.000 2.020 -1.150) 2.324 8.873 ( -0.000 5.696 -19.408) 20.226 8.911 ( -0.000 5.928 -20.302) 21.150 9.176 ( 0.000 -9.879 -12.372) 15.832 9.814 ( 0.000 -8.921 3.038) 9.424 10.144 ( 0.000 -4.621 -14.928) 15.627 10.965 ( 0.000 -7.600 7.026) 10.350 11.023 ( 0.000 -13.991 5.971) 15.212 11.151 ( 0.000 -2.869 -0.863) 2.996 11.184 ( 0.000 -6.804 -3.411) 7.611 11.519 ( 0.000 -3.767 9.044) 9.797 11.746 ( 0.000 -6.547 0.425) 6.561 11.911 ( -0.000 1.132 14.169) 14.214 12.037 ( -0.000 0.252 7.411) 7.415 12.207 ( 0.000 -1.288 6.435) 6.563 12.553 ( 0.000 -2.857 -4.653) 5.461 12.626 ( 0.000 -4.986 -20.310) 20.913 13.263 ( -0.000 5.987 -26.634) 27.298 14.776 ( -0.000 2.926 17.326) 17.572 15.136 ( -0.000 2.487 18.791) 18.954 15.266 ( -0.000 9.550 -7.925) 12.410 15.638 ( -0.000 5.154 -5.695) 7.681 16.549 ( -0.000 1.073 1.151) 1.574 16.632 ( -0.000 3.890 -2.749) 4.763 16.675 ( -0.000 2.786 2.672) 3.860 16.830 ( -0.000 3.468 -4.790) 5.914 18.402 ( -0.000 2.655 1.201) 2.914 18.458 ( -0.000 1.551 -1.458) 2.129 19.161 ( 0.000 -1.768 6.392) 6.632 19.364 ( 0.000 -5.145 -3.570) 6.262 19.408 ( 0.000 -1.058 6.732) 6.814 19.707 ( 0.000 -9.430 -7.513) 12.057 19.810 ( 0.000 -4.237 0.699) 4.294 19.843 ( 0.000 -4.092 -0.864) 4.182 20.764 ( 0.000 -1.921 -0.878) 2.112 20.828 ( 0.000 -0.560 -3.341) 3.388 21.253 ( -0.000 5.067 6.775) 8.460 21.498 ( -0.000 3.974 -4.324) 5.872 24.575 ( -0.000 0.429 0.256) 0.499 24.585 ( 0.000 -0.238 -0.218) 0.323 25.536 ( -0.000 2.299 12.174) 12.390 25.621 ( -0.000 2.314 8.391) 8.704 25.912 ( -0.000 8.233 -5.421) 9.857 26.069 ( -0.000 1.064 -13.112) 13.155 27.071 ( 0.000 -2.608 6.026) 6.567 27.351 ( 0.000 -1.332 4.593) 4.782 27.528 ( 0.000 -3.223 -19.681) 19.943 27.620 ( -0.000 3.838 -8.390) 9.226 29.568 ( -0.000 1.458 0.281) 1.485 29.705 ( -0.000 1.582 5.698) 5.914 29.715 ( -0.000 4.907 -8.551) 9.859 30.046 ( -0.000 1.872 -11.427) 11.579 30.331 ( 0.000 -1.141 3.502) 3.683 30.581 ( 0.000 -1.649 -5.053) 5.315 31.426 ( -0.000 9.918 6.920) 12.094 31.538 ( -0.000 6.846 1.241) 6.957 31.844 ( -0.000 6.294 19.307) 20.307 32.464 ( -0.000 15.848 -11.783) 19.748 32.702 ( 0.000 -29.350 40.861) 50.309 33.817 ( 0.000 -38.930 -17.867) 42.835 ======================= Grid point 209 (70/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 18.502 0.000 12.403) 22.275 2.387 ( 20.737 0.000 6.223) 21.650 2.663 ( 8.614 0.000 -2.109) 8.869 2.753 ( 6.746 0.000 -7.093) 9.789 3.189 ( -6.908 -0.000 11.751) 13.631 3.349 ( -4.276 -0.000 6.244) 7.568 3.419 ( -14.328 -0.000 0.417) 14.334 3.453 ( -2.970 -0.000 11.539) 11.915 3.525 ( -2.314 -0.000 -8.738) 9.039 3.654 ( -5.823 -0.000 4.269) 7.220 3.879 ( 0.319 0.000 -6.120) 6.128 3.943 ( -3.857 -0.000 -9.497) 10.250 4.092 ( 18.645 0.000 14.555) 23.654 4.556 ( 0.621 0.000 0.190) 0.650 4.642 ( 0.453 0.000 -0.355) 0.576 4.675 ( 1.798 0.000 0.604) 1.897 4.790 ( 4.266 0.000 -0.362) 4.281 5.024 ( 1.589 0.000 -15.366) 15.447 5.733 ( -2.838 -0.000 6.873) 7.436 6.284 ( 3.114 0.000 -19.619) 19.864 6.593 ( -1.346 -0.000 17.979) 18.029 6.864 ( 6.894 0.000 -3.328) 7.655 7.065 ( -3.731 -0.000 -2.936) 4.748 7.082 ( 5.999 0.000 -2.454) 6.482 7.354 ( -3.024 -0.000 0.962) 3.173 7.658 ( -1.502 -0.000 -5.818) 6.009 7.857 ( 1.839 0.000 15.662) 15.770 8.269 ( -3.931 -0.000 22.000) 22.348 8.294 ( 5.835 0.000 1.468) 6.017 8.442 ( -5.328 -0.000 -10.459) 11.738 8.714 ( 4.429 0.000 1.395) 4.643 8.880 ( 3.927 0.000 -11.146) 11.818 9.045 ( 3.994 0.000 -6.619) 7.731 9.223 ( 4.730 0.000 -28.089) 28.485 10.033 ( -22.326 -0.000 5.179) 22.918 10.159 ( -17.780 -0.000 -5.224) 18.532 11.134 ( -12.003 -0.000 6.814) 13.802 11.151 ( -10.145 -0.000 0.623) 10.164 11.304 ( 1.477 0.000 0.616) 1.600 11.310 ( -14.483 -0.000 0.718) 14.501 11.510 ( -3.679 -0.000 6.367) 7.353 11.795 ( 5.665 0.000 15.435) 16.442 11.859 ( -1.618 -0.000 -9.186) 9.327 11.916 ( -0.019 -0.000 21.558) 21.558 12.361 ( -0.104 -0.000 -12.420) 12.421 12.394 ( -1.367 -0.000 18.318) 18.369 12.734 ( 2.586 0.000 -20.008) 20.175 13.397 ( 8.168 0.000 -30.254) 31.337 14.545 ( 4.447 0.000 23.161) 23.584 14.905 ( -1.713 -0.000 21.603) 21.671 15.373 ( 5.635 0.000 -17.536) 18.419 15.543 ( 13.761 0.000 -10.757) 17.466 16.355 ( -0.331 -0.000 0.718) 0.791 16.431 ( 1.647 0.000 -2.308) 2.835 16.885 ( 3.416 0.000 0.213) 3.423 16.927 ( 4.624 0.000 -1.982) 5.031 18.336 ( 2.528 0.000 3.918) 4.663 18.499 ( 2.932 0.000 -3.884) 4.867 19.122 ( -1.608 -0.000 15.080) 15.165 19.289 ( -3.265 -0.000 9.954) 10.475 19.496 ( -7.882 -0.000 -6.043) 9.932 19.839 ( -4.572 -0.000 -9.168) 10.245 19.871 ( -4.741 -0.000 0.220) 4.746 19.913 ( -6.205 -0.000 -6.769) 9.183 20.864 ( 0.127 0.000 1.480) 1.485 20.973 ( 0.077 0.000 -3.519) 3.520 21.008 ( 2.040 0.000 12.053) 12.225 21.453 ( 5.436 0.000 -9.137) 10.632 24.580 ( -0.008 -0.000 0.187) 0.187 24.587 ( 0.088 0.000 -0.182) 0.202 25.229 ( 4.285 0.000 5.263) 6.787 25.406 ( 4.574 0.000 -3.359) 5.675 25.724 ( 0.972 0.000 12.843) 12.880 26.282 ( 3.421 0.000 -13.726) 14.146 27.186 ( -2.145 -0.000 9.028) 9.279 27.321 ( 2.310 0.000 -0.400) 2.344 27.360 ( -0.670 -0.000 1.188) 1.364 27.908 ( 2.006 0.000 -27.153) 27.227 29.431 ( -0.162 -0.000 7.506) 7.507 29.777 ( 4.210 0.000 6.903) 8.086 29.781 ( -3.856 -0.000 -9.370) 10.132 30.075 ( 9.022 0.000 -7.042) 11.445 30.448 ( -0.810 -0.000 -2.198) 2.343 30.509 ( 3.781 0.000 -4.385) 5.790 31.396 ( 7.032 0.000 3.283) 7.760 31.412 ( 7.869 0.000 2.581) 8.281 31.841 ( 5.149 0.000 8.237) 9.714 32.115 ( 13.330 0.000 -4.894) 14.200 33.049 ( -36.932 -0.000 45.752) 58.798 34.241 ( -38.602 -0.000 -18.638) 42.866 ======================= Grid point 210 (71/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 14.991 1.899 6.834) 16.584 2.609 ( 10.426 -5.010 1.266) 11.636 2.719 ( 9.240 2.790 0.441) 9.662 2.841 ( 4.599 -2.586 -0.866) 5.346 3.121 ( -3.955 0.985 9.894) 10.701 3.230 ( -12.426 3.651 2.196) 13.137 3.304 ( -5.211 0.599 2.126) 5.660 3.420 ( -5.148 -0.786 10.132) 11.392 3.497 ( 1.814 3.817 -0.639) 4.274 3.629 ( 0.920 -1.684 -4.302) 4.711 3.874 ( -3.051 -0.173 -7.885) 8.457 3.934 ( -2.036 -3.100 -8.041) 8.856 4.311 ( 15.953 -3.917 9.885) 19.172 4.574 ( 0.465 -1.219 1.834) 2.250 4.624 ( -0.510 2.563 -1.540) 3.034 4.657 ( 0.871 2.739 1.245) 3.133 4.866 ( 1.779 -5.259 0.601) 5.585 5.054 ( 1.234 -1.325 -8.919) 9.100 5.734 ( -1.426 -2.577 8.376) 8.879 6.312 ( 2.497 -0.044 -19.209) 19.370 6.640 ( -0.947 -6.356 19.612) 20.638 6.916 ( 5.153 -0.205 -2.238) 5.622 7.038 ( -2.616 -1.014 -2.085) 3.495 7.165 ( 0.702 -3.018 -5.870) 6.638 7.326 ( -1.206 0.594 1.614) 2.101 7.609 ( -1.266 1.816 -0.165) 2.220 7.915 ( 2.097 -3.856 13.551) 14.244 8.205 ( -2.814 2.422 20.491) 20.825 8.323 ( -0.246 2.146 2.366) 3.203 8.421 ( -3.612 -2.798 -0.098) 4.570 8.777 ( 3.633 -2.183 -3.724) 5.642 8.928 ( 3.529 -1.013 -15.559) 15.987 9.030 ( 2.695 4.618 -8.105) 9.710 9.252 ( 1.548 1.802 -25.179) 25.291 9.828 ( -11.322 1.658 1.340) 11.521 10.005 ( -11.722 0.961 -8.777) 14.675 10.990 ( -9.628 2.840 2.493) 10.343 11.115 ( -7.674 -3.870 0.245) 8.598 11.211 ( -7.619 -2.820 3.412) 8.812 11.310 ( 1.687 0.958 -0.678) 2.055 11.448 ( -2.573 4.236 9.120) 10.380 11.787 ( -0.946 8.251 4.334) 9.368 11.852 ( 3.796 -0.622 11.724) 12.339 11.882 ( 0.367 1.087 11.095) 11.154 12.329 ( -0.179 3.875 11.757) 12.380 12.383 ( -1.495 -1.101 -4.213) 4.604 12.707 ( 1.530 5.239 -18.796) 19.572 13.443 ( 5.511 2.391 -30.809) 31.389 14.677 ( 3.160 -9.972 22.441) 24.759 14.885 ( -1.605 0.248 23.715) 23.771 15.456 ( 3.760 -3.314 -14.803) 15.629 15.646 ( 8.513 1.424 -13.608) 16.114 16.376 ( -0.139 -2.666 1.059) 2.872 16.476 ( 1.045 -3.566 -3.225) 4.921 16.895 ( 2.283 2.072 0.620) 3.144 16.963 ( 3.510 0.643 -2.716) 4.485 18.364 ( 1.506 -0.772 3.716) 4.083 18.521 ( 1.766 0.264 -3.805) 4.203 19.135 ( -0.807 -3.090 10.204) 10.692 19.257 ( -2.330 0.220 9.932) 10.204 19.426 ( -5.064 0.382 -5.428) 7.433 19.730 ( -3.803 7.608 -10.328) 13.379 19.820 ( -3.568 1.168 0.092) 3.755 19.836 ( -4.326 1.867 -1.095) 4.837 20.873 ( 0.979 -0.079 1.444) 1.746 20.957 ( 0.097 2.270 -2.636) 3.480 21.071 ( 1.513 -4.885 11.377) 12.474 21.499 ( 3.682 -0.180 -9.028) 9.752 24.576 ( -0.007 0.290 0.401) 0.495 24.592 ( 0.072 -0.283 -0.383) 0.482 25.345 ( 3.537 -8.256 3.423) 9.612 25.453 ( 3.712 -1.049 -1.583) 4.170 25.740 ( -0.948 -1.264 13.537) 13.629 26.291 ( 1.721 1.862 -11.968) 12.234 27.181 ( -2.355 -1.987 10.043) 10.505 27.318 ( 1.675 2.758 -0.267) 3.238 27.344 ( -0.207 1.277 -0.156) 1.303 27.894 ( 0.076 2.626 -26.135) 26.267 29.469 ( -0.297 -4.282 6.835) 8.071 29.783 ( -1.280 -3.309 -6.074) 7.034 29.812 ( 1.976 -0.152 4.620) 5.027 30.132 ( 8.309 3.141 -7.227) 11.451 30.394 ( -2.775 3.664 -1.890) 4.970 30.518 ( 2.448 2.881 -6.731) 7.720 31.486 ( 5.005 -3.249 5.932) 8.414 31.524 ( 5.855 -4.598 3.431) 8.197 31.928 ( 6.895 -2.921 9.358) 11.985 32.266 ( 13.501 -1.476 -6.365) 14.999 32.665 ( -25.682 6.869 39.750) 47.821 33.802 ( -31.278 9.164 -19.388) 37.924 ======================= Grid point 211 (72/100) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 5.936 2.148 3.867) 7.403 2.652 ( 1.067 3.520 -3.196) 4.873 2.826 ( 4.687 -4.185 3.996) 7.446 2.909 ( 3.352 -1.008 1.123) 3.676 3.066 ( -9.288 0.970 3.524) 9.982 3.110 ( 1.952 0.760 4.371) 4.847 3.278 ( 1.403 -0.754 4.183) 4.476 3.387 ( -5.598 -1.786 7.183) 9.281 3.426 ( 0.580 5.350 6.278) 8.269 3.711 ( 5.103 -2.519 -12.383) 13.628 3.858 ( -2.930 -1.916 -7.973) 8.708 3.971 ( -0.630 -1.926 -8.457) 8.697 4.488 ( 7.140 -2.503 4.871) 8.998 4.554 ( -0.497 3.658 1.667) 4.050 4.599 ( -0.051 -0.923 1.168) 1.490 4.612 ( -0.832 2.405 0.709) 2.642 5.010 ( 1.041 -8.796 0.454) 8.869 5.067 ( 1.641 1.438 -1.909) 2.899 5.782 ( -0.904 -3.740 8.966) 9.757 6.327 ( 1.830 1.290 -16.880) 17.028 6.772 ( -0.404 -8.980 22.773) 24.483 6.991 ( 3.748 -2.776 -1.646) 4.946 7.040 ( -1.719 -2.033 -0.718) 2.757 7.182 ( -2.167 -0.901 -7.139) 7.515 7.279 ( 0.145 4.351 -4.220) 6.063 7.645 ( 0.007 -6.535 0.936) 6.601 8.000 ( 3.502 -1.914 11.377) 12.057 8.134 ( -3.156 2.401 19.246) 19.651 8.277 ( 2.366 4.330 12.869) 13.783 8.391 ( -7.380 -0.918 8.869) 11.575 8.845 ( 1.981 -2.208 -9.164) 9.632 8.959 ( 1.193 0.641 -19.324) 19.372 9.001 ( 1.277 -0.229 -13.261) 13.325 9.174 ( -1.123 6.666 -16.310) 17.656 9.768 ( -2.312 -0.555 -6.554) 6.972 9.922 ( -4.879 -2.131 -9.949) 11.284 10.866 ( -4.890 2.620 3.569) 6.596 11.083 ( -3.601 0.018 -3.673) 5.144 11.247 ( 1.468 12.798 14.125) 19.117 11.290 ( -0.963 -8.469 3.087) 9.065 11.348 ( -0.717 -0.365 0.931) 1.231 11.606 ( -1.793 10.278 2.770) 10.794 11.867 ( -0.168 -1.090 6.680) 6.770 11.924 ( 2.481 -2.314 11.339) 11.836 12.258 ( 0.819 4.291 19.707) 20.185 12.393 ( -1.965 -2.289 -11.424) 11.815 12.609 ( 0.078 6.278 -17.507) 18.598 13.436 ( 2.879 2.976 -30.850) 31.127 14.866 ( -1.155 0.452 24.393) 24.424 14.903 ( 1.469 -12.244 20.469) 23.897 15.541 ( 2.664 -2.790 -10.133) 10.842 15.653 ( 1.696 3.612 -14.055) 14.611 16.434 ( 0.188 -3.745 1.632) 4.089 16.563 ( 0.807 -4.943 -4.272) 6.582 16.862 ( 0.889 3.467 1.426) 3.853 16.970 ( 1.744 1.639 -3.795) 4.487 18.390 ( 0.412 -1.174 3.021) 3.267 18.524 ( 0.528 0.749 -3.345) 3.468 19.212 ( 1.288 -4.895 5.984) 7.837 19.241 ( -1.316 -0.984 6.177) 6.392 19.389 ( -1.862 -0.176 -3.834) 4.266 19.535 ( -2.964 10.085 -5.598) 11.910 19.770 ( -1.779 1.229 0.229) 2.175 19.774 ( -2.010 1.461 0.150) 2.489 20.864 ( 0.599 2.708 0.425) 2.806 20.911 ( -0.082 2.383 -1.502) 2.818 21.179 ( 0.667 -5.823 9.236) 10.938 21.533 ( 1.693 -0.638 -7.633) 7.844 24.572 ( -0.001 0.068 0.582) 0.586 24.596 ( 0.040 -0.025 -0.533) 0.535 25.487 ( 1.921 -2.589 2.966) 4.381 25.587 ( 4.576 -10.905 0.146) 11.827 25.739 ( -4.097 -1.786 11.717) 12.540 26.253 ( 0.673 3.916 -10.237) 10.981 27.208 ( -1.225 -3.165 9.076) 9.690 27.256 ( 0.632 5.621 0.752) 5.706 27.328 ( -0.132 -0.096 -2.678) 2.683 27.833 ( -0.201 4.024 -22.275) 22.637 29.550 ( -0.142 -4.737 6.474) 8.023 29.807 ( 1.672 1.758 6.621) 7.052 29.855 ( -0.553 -3.699 -7.940) 8.776 30.151 ( 7.112 2.871 -7.424) 10.674 30.291 ( -5.260 3.044 -2.730) 6.662 30.471 ( 0.461 3.305 -8.850) 9.458 31.591 ( 2.869 -3.878 11.190) 12.186 31.649 ( 3.299 -3.413 5.556) 7.308 32.055 ( 6.962 -2.825 9.249) 11.916 32.322 ( -9.937 8.191 29.972) 32.622 32.460 ( 4.533 -7.920 -6.009) 10.926 33.359 ( -17.210 13.294 -18.748) 28.713 ======================= Grid point 212 (73/100) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -0.000 1.267 3.104) 3.353 2.593 ( -0.000 3.198 -1.454) 3.513 2.910 ( -0.000 2.354 1.923) 3.039 2.922 ( 0.000 -3.462 1.659) 3.839 3.034 ( 0.000 -2.909 1.941) 3.497 3.109 ( -0.000 1.215 0.425) 1.287 3.305 ( -0.000 2.455 9.732) 10.037 3.373 ( 0.000 -1.309 7.219) 7.336 3.387 ( 0.000 -2.517 5.292) 5.860 3.773 ( 0.000 -1.916 -13.687) 13.821 3.866 ( -0.000 1.474 -9.030) 9.150 3.975 ( -0.000 0.731 -9.469) 9.497 4.512 ( -0.000 0.204 4.171) 4.176 4.560 ( -0.000 2.220 -0.051) 2.221 4.560 ( 0.000 -1.997 3.467) 4.001 4.611 ( 0.000 -0.316 1.234) 1.274 4.976 ( -0.000 7.299 5.195) 8.959 5.192 ( 0.000 -7.696 -5.137) 9.253 5.831 ( 0.000 -2.490 8.164) 8.535 6.286 ( -0.000 4.823 -12.854) 13.729 6.896 ( 0.000 -4.300 23.402) 23.793 7.019 ( -0.000 0.545 -2.330) 2.393 7.117 ( 0.000 -5.224 1.116) 5.342 7.175 ( 0.000 -0.093 -7.317) 7.318 7.242 ( 0.000 -2.179 -8.170) 8.456 7.773 ( 0.000 -6.503 -7.253) 9.741 8.038 ( 0.000 -0.776 13.995) 14.017 8.068 ( -0.000 3.304 19.395) 19.675 8.144 ( -0.000 9.241 24.885) 26.545 8.441 ( 0.000 -7.647 12.421) 14.586 8.882 ( 0.000 -0.775 -11.638) 11.664 8.964 ( 0.000 -0.184 -16.326) 16.327 9.016 ( 0.000 -0.041 -23.149) 23.149 9.039 ( -0.000 7.164 -12.466) 14.378 9.753 ( -0.000 0.760 -4.036) 4.107 9.984 ( 0.000 -6.267 -13.421) 14.812 10.819 ( 0.000 -0.143 5.125) 5.127 10.999 ( -0.000 12.855 15.266) 19.958 11.068 ( 0.000 -0.450 -4.227) 4.251 11.387 ( 0.000 -3.365 3.997) 5.225 11.392 ( -0.000 12.493 -3.361) 12.937 11.463 ( 0.000 -9.907 0.699) 9.932 11.900 ( 0.000 -2.274 7.725) 8.053 11.982 ( 0.000 -2.668 8.866) 9.258 12.204 ( -0.000 2.393 21.426) 21.559 12.440 ( 0.000 -4.535 -14.516) 15.208 12.523 ( -0.000 2.903 -14.313) 14.605 13.401 ( -0.000 2.909 -30.218) 30.358 14.846 ( -0.000 1.140 23.126) 23.154 15.083 ( 0.000 -7.117 19.123) 20.405 15.556 ( -0.000 7.043 -12.623) 14.455 15.621 ( 0.000 -3.824 -6.712) 7.725 16.499 ( 0.000 -3.336 2.107) 3.946 16.643 ( 0.000 -3.367 -4.621) 5.718 16.799 ( -0.000 4.100 2.170) 4.639 16.941 ( -0.000 2.694 -4.631) 5.358 18.413 ( 0.000 -1.161 2.155) 2.448 18.509 ( -0.000 1.137 -2.518) 2.763 19.219 ( -0.000 1.944 4.550) 4.948 19.345 ( 0.000 -5.684 0.790) 5.738 19.358 ( -0.000 6.688 -1.646) 6.888 19.407 ( 0.000 -4.139 -2.116) 4.649 19.744 ( -0.000 0.391 0.576) 0.696 19.758 ( 0.000 -0.599 -0.062) 0.602 20.804 ( -0.000 3.707 0.308) 3.720 20.875 ( -0.000 2.131 -2.595) 3.358 21.268 ( 0.000 -3.854 7.904) 8.793 21.551 ( 0.000 -0.242 -5.759) 5.764 24.573 ( 0.000 -0.181 0.501) 0.533 24.593 ( -0.000 0.318 -0.447) 0.548 25.533 ( 0.000 -1.801 7.839) 8.044 25.692 ( -0.000 1.608 13.548) 13.643 25.852 ( 0.000 -12.848 -7.472) 14.862 26.169 ( -0.000 6.106 -8.810) 10.719 27.151 ( -0.000 6.177 2.913) 6.829 27.263 ( 0.000 -3.524 7.310) 8.115 27.357 ( 0.000 -3.574 -7.479) 8.289 27.759 ( -0.000 4.291 -17.236) 17.762 29.605 ( 0.000 -1.320 4.608) 4.793 29.778 ( -0.000 2.349 6.140) 6.574 29.868 ( -0.000 2.371 -8.997) 9.304 30.147 ( -0.000 3.504 -12.874) 13.342 30.241 ( 0.000 -2.072 1.914) 2.821 30.456 ( 0.000 -2.225 -7.097) 7.438 31.652 ( 0.000 -0.811 11.201) 11.230 31.679 ( -0.000 2.153 6.743) 7.079 32.112 ( -0.000 8.667 29.508) 30.754 32.149 ( 0.000 -4.464 13.697) 14.406 32.745 ( 0.000 -21.572 -12.661) 25.013 33.026 ( -0.000 15.599 -16.997) 23.070 ======================= Grid point 220 (74/100) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 12.940 0.000 2.980) 13.278 2.633 ( 4.973 0.000 -0.226) 4.978 2.830 ( 1.910 0.000 -1.423) 2.382 2.858 ( 6.781 0.000 0.174) 6.783 3.102 ( 0.285 0.000 16.574) 16.577 3.132 ( -12.553 -0.000 5.346) 13.644 3.272 ( -1.498 -0.000 2.229) 2.686 3.350 ( -6.892 -0.000 10.144) 12.264 3.592 ( -0.999 -0.000 6.321) 6.399 3.608 ( 9.157 0.000 -9.863) 13.459 3.808 ( -8.780 -0.000 -10.413) 13.621 3.893 ( -0.037 -0.000 -6.281) 6.281 4.428 ( 12.413 0.000 6.949) 14.226 4.571 ( 0.735 0.000 2.407) 2.517 4.637 ( -0.583 -0.000 1.754) 1.848 4.679 ( -1.636 -0.000 0.219) 1.650 4.833 ( 0.468 0.000 0.618) 0.775 5.045 ( 0.545 0.000 -11.001) 11.015 5.700 ( -0.737 -0.000 9.303) 9.332 6.324 ( 0.943 0.000 -20.877) 20.899 6.577 ( -0.277 -0.000 19.752) 19.754 6.955 ( 2.282 0.000 -3.202) 3.932 7.001 ( -2.006 -0.000 -2.044) 2.864 7.146 ( 0.721 0.000 -6.206) 6.248 7.308 ( -0.930 -0.000 6.484) 6.551 7.639 ( -0.440 -0.000 -3.043) 3.075 7.868 ( -0.034 -0.000 17.125) 17.125 8.215 ( -1.240 -0.000 24.288) 24.320 8.341 ( -3.591 -0.000 -6.278) 7.232 8.362 ( 1.136 0.000 2.388) 2.644 8.787 ( 2.381 0.000 -4.003) 4.657 8.949 ( 2.187 0.000 -13.710) 13.883 9.104 ( 1.703 0.000 -9.641) 9.790 9.290 ( 1.811 0.000 -28.166) 28.224 9.738 ( -7.380 -0.000 2.161) 7.690 9.930 ( -5.550 -0.000 -11.721) 12.968 10.953 ( -5.080 -0.000 3.557) 6.202 10.993 ( -4.647 -0.000 2.152) 5.121 11.123 ( -4.609 -0.000 3.300) 5.669 11.327 ( 0.554 0.000 -5.054) 5.084 11.460 ( -1.247 -0.000 9.682) 9.762 11.837 ( -0.553 -0.000 -9.253) 9.269 11.881 ( 2.479 0.000 12.424) 12.669 11.923 ( 0.337 0.000 24.699) 24.701 12.357 ( -0.177 -0.000 -11.852) 11.854 12.366 ( -1.005 -0.000 24.193) 24.214 12.772 ( 1.060 0.000 -19.311) 19.340 13.507 ( 2.821 0.000 -31.491) 31.617 14.611 ( 1.922 0.000 23.923) 24.000 14.873 ( -1.125 -0.000 26.255) 26.279 15.457 ( 2.353 0.000 -17.729) 17.884 15.732 ( 4.931 0.000 -16.357) 17.084 16.349 ( -0.162 -0.000 0.869) 0.884 16.450 ( 0.344 0.000 -3.304) 3.322 16.933 ( 1.311 0.000 0.535) 1.416 16.996 ( 1.949 0.000 -2.590) 3.241 18.371 ( 0.905 0.000 4.029) 4.129 18.539 ( 1.038 0.000 -4.041) 4.172 19.096 ( -0.783 -0.000 8.020) 8.058 19.240 ( -1.366 -0.000 13.237) 13.308 19.389 ( -2.739 -0.000 -6.618) 7.163 19.771 ( -1.944 -0.000 -11.294) 11.460 19.802 ( -1.913 -0.000 0.241) 1.928 19.817 ( -2.791 -0.000 -1.382) 3.114 20.881 ( 0.870 0.000 1.985) 2.167 20.978 ( 0.279 0.000 -2.746) 2.760 21.040 ( 0.921 0.000 14.010) 14.040 21.527 ( 1.894 0.000 -9.843) 10.024 24.580 ( -0.005 -0.000 0.215) 0.215 24.589 ( 0.033 0.000 -0.219) 0.221 25.296 ( 1.951 0.000 5.053) 5.417 25.474 ( 1.927 0.000 -3.536) 4.027 25.730 ( -0.079 -0.000 15.928) 15.928 26.318 ( 0.675 0.000 -11.837) 11.856 27.142 ( -1.563 -0.000 11.599) 11.704 27.356 ( 0.052 0.000 0.009) 0.053 27.358 ( 1.156 0.000 -0.505) 1.262 27.915 ( -0.403 -0.000 -27.802) 27.805 29.428 ( -0.082 -0.000 6.296) 6.296 29.721 ( -1.730 -0.000 -8.400) 8.576 29.841 ( 1.832 0.000 7.700) 7.915 30.228 ( 5.200 0.000 -11.420) 12.548 30.419 ( -1.697 -0.000 2.354) 2.902 30.562 ( 1.454 0.000 -4.955) 5.164 31.491 ( 2.418 0.000 3.427) 4.194 31.523 ( 2.931 0.000 1.934) 3.511 31.974 ( 7.251 0.000 13.118) 14.989 32.397 ( 12.006 0.000 -7.245) 14.023 32.498 ( -17.738 -0.000 37.266) 41.272 33.607 ( -21.340 -0.000 -19.862) 29.154 ======================= Grid point 221 (75/100) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -0.000 4.309 1.392) 4.528 2.700 ( -0.000 0.372 -2.424) 2.452 2.824 ( -0.000 0.953 2.111) 2.316 2.921 ( 0.000 -2.683 -2.029) 3.363 3.013 ( -0.000 2.863 10.436) 10.822 3.128 ( 0.000 -0.411 10.551) 10.559 3.284 ( 0.000 -0.462 4.853) 4.875 3.310 ( 0.000 -1.639 6.884) 7.076 3.523 ( -0.000 5.215 5.685) 7.715 3.728 ( 0.000 -0.607 -14.482) 14.495 3.762 ( 0.000 -4.946 -5.351) 7.287 3.918 ( 0.000 -2.790 -6.275) 6.868 4.504 ( 0.000 -0.850 5.527) 5.592 4.583 ( 0.000 -0.825 2.080) 2.238 4.614 ( -0.000 2.609 0.602) 2.677 4.650 ( -0.000 2.097 0.425) 2.140 4.874 ( 0.000 -5.639 1.717) 5.895 5.070 ( 0.000 -1.653 -7.498) 7.678 5.721 ( 0.000 -2.647 9.653) 10.009 6.336 ( 0.000 -0.621 -20.136) 20.146 6.631 ( 0.000 -6.194 20.976) 21.872 6.978 ( 0.000 -1.563 -1.734) 2.334 6.998 ( 0.000 -0.796 -1.948) 2.104 7.156 ( 0.000 -0.761 -7.026) 7.067 7.324 ( 0.000 -0.615 2.731) 2.799 7.595 ( -0.000 1.765 1.386) 2.244 7.936 ( 0.000 -5.967 13.336) 14.610 8.173 ( -0.000 3.356 22.512) 22.761 8.313 ( -0.000 0.614 -3.274) 3.331 8.375 ( -0.000 0.383 8.681) 8.689 8.818 ( 0.000 -1.959 -6.358) 6.653 8.966 ( 0.000 -0.525 -17.355) 17.363 9.059 ( -0.000 4.963 -9.291) 10.533 9.264 ( -0.000 3.948 -23.438) 23.768 9.722 ( 0.000 -2.237 -2.732) 3.531 9.892 ( -0.000 0.936 -11.398) 11.436 10.887 ( -0.000 2.795 3.147) 4.209 11.034 ( 0.000 -3.845 -1.771) 4.233 11.137 ( 0.000 -5.335 5.775) 7.862 11.330 ( 0.000 -0.218 -4.732) 4.737 11.421 ( -0.000 4.694 11.376) 12.306 11.776 ( -0.000 8.104 0.685) 8.133 11.878 ( -0.000 2.639 14.677) 14.912 11.905 ( 0.000 -1.316 11.210) 11.287 12.330 ( -0.000 3.310 24.526) 24.749 12.360 ( 0.000 -0.549 -11.866) 11.878 12.725 ( -0.000 5.727 -19.360) 20.189 13.498 ( -0.000 2.409 -31.479) 31.571 14.711 ( 0.000 -9.679 23.002) 24.955 14.865 ( -0.000 0.177 26.445) 26.445 15.496 ( 0.000 -2.901 -15.460) 15.729 15.731 ( -0.000 2.842 -16.500) 16.743 16.375 ( 0.000 -2.851 1.100) 3.056 16.486 ( 0.000 -3.781 -3.759) 5.332 16.919 ( -0.000 2.261 0.918) 2.441 17.000 ( -0.000 0.716 -3.056) 3.138 18.379 ( 0.000 -0.464 3.748) 3.777 18.539 ( -0.000 0.585 -3.895) 3.939 19.126 ( 0.000 -3.928 5.886) 7.076 19.233 ( -0.000 0.058 12.319) 12.319 19.376 ( 0.000 -0.069 -6.129) 6.129 19.689 ( -0.000 7.905 -9.621) 12.451 19.782 ( -0.000 1.145 0.297) 1.183 19.791 ( -0.000 1.317 -0.122) 1.323 20.886 ( -0.000 0.075 1.649) 1.651 20.960 ( -0.000 2.448 -1.960) 3.135 21.087 ( 0.000 -4.649 12.272) 13.123 21.536 ( 0.000 -0.097 -9.347) 9.348 24.576 ( -0.000 0.289 0.420) 0.510 24.593 ( 0.000 -0.291 -0.404) 0.498 25.384 ( 0.000 -8.492 3.033) 9.017 25.494 ( 0.000 -1.591 -2.114) 2.646 25.726 ( -0.000 0.432 16.106) 16.111 26.306 ( -0.000 1.831 -11.210) 11.358 27.153 ( 0.000 -2.098 11.108) 11.304 27.335 ( -0.000 2.681 -0.346) 2.703 27.345 ( -0.000 1.757 -0.627) 1.865 27.890 ( -0.000 2.527 -26.277) 26.398 29.466 ( 0.000 -4.160 6.406) 7.638 29.760 ( 0.000 -5.044 -8.073) 9.519 29.841 ( -0.000 1.070 7.572) 7.647 30.242 ( -0.000 1.555 -13.307) 13.398 30.343 ( -0.000 6.269 4.259) 7.579 30.544 ( -0.000 3.291 -7.178) 7.896 31.536 ( 0.000 -3.487 6.258) 7.164 31.586 ( 0.000 -4.919 3.251) 5.896 32.043 ( 0.000 -2.784 11.261) 11.600 32.362 ( -0.000 4.525 35.324) 35.612 32.455 ( -0.000 0.506 -7.626) 7.642 33.434 ( -0.000 6.796 -19.721) 20.860 ======================= Grid point 267 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.000 0.000 -22.683) 22.683 1.992 ( 0.000 0.000 22.683) 22.683 2.066 ( 0.000 0.000 -24.367) 24.367 2.066 ( 0.000 0.000 24.367) 24.367 3.676 ( 0.000 0.000 -11.159) 11.159 3.676 ( 0.000 0.000 11.159) 11.159 3.696 ( 0.000 0.000 -11.121) 11.121 3.696 ( 0.000 0.000 11.121) 11.121 3.889 ( 0.000 0.000 -57.417) 57.417 3.889 ( 0.000 0.000 57.417) 57.417 3.937 ( 0.000 0.000 -1.894) 1.894 3.937 ( 0.000 0.000 1.894) 1.894 4.129 ( 0.000 0.000 -3.435) 3.435 4.129 ( 0.000 0.000 3.435) 3.435 4.480 ( 0.000 0.000 -1.117) 1.117 4.480 ( 0.000 0.000 1.117) 1.117 4.583 ( 0.000 0.000 -2.093) 2.093 4.583 ( 0.000 0.000 2.093) 2.093 5.968 ( 0.000 0.000 -1.737) 1.737 5.968 ( 0.000 0.000 1.737) 1.737 6.493 ( 0.000 0.000 -9.538) 9.538 6.493 ( 0.000 0.000 9.538) 9.538 6.774 ( 0.000 0.000 -13.387) 13.387 6.774 ( 0.000 0.000 13.387) 13.387 7.347 ( 0.000 0.000 -23.770) 23.770 7.347 ( 0.000 0.000 23.770) 23.770 8.075 ( 0.000 0.000 -18.542) 18.542 8.075 ( 0.000 0.000 18.542) 18.542 8.541 ( 0.000 0.000 -20.298) 20.298 8.541 ( 0.000 0.000 20.298) 20.298 8.701 ( 0.000 0.000 -6.073) 6.073 8.701 ( 0.000 0.000 6.073) 6.073 8.762 ( 0.000 0.000 -3.884) 3.884 8.762 ( 0.000 0.000 3.884) 3.884 11.506 ( 0.000 0.000 -7.453) 7.453 11.506 ( 0.000 0.000 7.453) 7.453 11.692 ( 0.000 0.000 -12.193) 12.193 11.692 ( 0.000 0.000 12.193) 12.193 11.821 ( 0.000 0.000 -2.301) 2.301 11.821 ( 0.000 0.000 2.301) 2.301 11.850 ( 0.000 0.000 -14.683) 14.683 11.850 ( 0.000 0.000 14.683) 14.683 12.038 ( 0.000 0.000 -30.812) 30.812 12.038 ( 0.000 0.000 30.812) 30.812 12.198 ( 0.000 0.000 -25.330) 25.330 12.198 ( 0.000 0.000 25.330) 25.330 12.618 ( 0.000 0.000 -5.074) 5.074 12.618 ( 0.000 0.000 5.074) 5.074 14.727 ( 0.000 0.000 -4.429) 4.429 14.727 ( 0.000 0.000 4.429) 4.429 14.751 ( 0.000 0.000 -21.188) 21.188 14.751 ( 0.000 0.000 21.188) 21.188 16.321 ( 0.000 0.000 -0.710) 0.710 16.321 ( 0.000 0.000 0.710) 0.710 16.634 ( 0.000 0.000 -0.255) 0.255 16.634 ( 0.000 0.000 0.255) 0.255 18.262 ( 0.000 0.000 -3.823) 3.823 18.262 ( 0.000 0.000 3.823) 3.823 19.644 ( 0.000 0.000 -25.170) 25.170 19.644 ( 0.000 0.000 25.170) 25.170 19.767 ( 0.000 0.000 -17.052) 17.052 19.767 ( 0.000 0.000 17.052) 17.052 20.094 ( 0.000 0.000 -0.184) 0.184 20.094 ( 0.000 0.000 0.184) 0.184 20.903 ( 0.000 0.000 -2.693) 2.693 20.903 ( 0.000 0.000 2.693) 2.693 21.212 ( 0.000 0.000 -1.686) 1.686 21.212 ( 0.000 0.000 1.686) 1.686 24.580 ( 0.000 0.000 -0.032) 0.032 24.580 ( 0.000 0.000 0.032) 0.032 25.140 ( 0.000 0.000 -3.742) 3.742 25.140 ( 0.000 0.000 3.742) 3.742 25.531 ( 0.000 0.000 -0.497) 0.497 25.531 ( 0.000 0.000 0.497) 0.497 27.226 ( 0.000 0.000 -1.400) 1.400 27.226 ( 0.000 0.000 1.400) 1.400 27.404 ( 0.000 0.000 -1.064) 1.064 27.404 ( 0.000 0.000 1.064) 1.064 29.594 ( 0.000 0.000 -9.229) 9.229 29.594 ( 0.000 0.000 9.229) 9.229 29.854 ( 0.000 0.000 -9.870) 9.870 29.854 ( 0.000 0.000 9.870) 9.870 30.299 ( 0.000 0.000 -2.681) 2.681 30.299 ( 0.000 0.000 2.681) 2.681 31.036 ( 0.000 0.000 -0.197) 0.197 31.036 ( 0.000 0.000 0.197) 0.197 31.749 ( 0.000 0.000 -1.444) 1.444 31.749 ( 0.000 0.000 1.444) 1.444 35.882 ( 0.000 0.000 -3.789) 3.789 35.882 ( 0.000 0.000 3.789) 3.789 ======================= Grid point 269 (77/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 2.944 -4.565 -20.824) 21.521 2.051 ( 2.944 -4.565 20.824) 21.521 2.145 ( 3.609 -7.255 -23.577) 24.931 2.145 ( 3.609 -7.255 23.577) 24.931 3.635 ( -0.877 6.306 -7.604) 9.918 3.635 ( -0.877 6.306 7.604) 9.918 3.675 ( -0.977 1.301 -5.672) 5.901 3.675 ( -0.977 1.301 5.672) 5.901 3.770 ( -5.559 6.067 -7.397) 11.065 3.770 ( -5.559 6.067 7.397) 11.065 3.966 ( 4.000 -2.052 -36.121) 36.400 3.966 ( 4.000 -2.052 36.121) 36.400 4.214 ( -6.223 -5.666 -2.593) 8.807 4.214 ( -6.223 -5.666 2.593) 8.807 4.398 ( 6.693 4.798 -1.302) 8.337 4.398 ( 6.693 4.798 1.302) 8.337 4.698 ( 1.009 -8.196 -4.035) 9.191 4.698 ( 1.009 -8.196 4.035) 9.191 5.951 ( 0.094 1.755 -0.840) 1.948 5.951 ( 0.094 1.755 0.840) 1.948 6.590 ( -1.554 -9.783 -5.285) 11.227 6.590 ( -1.554 -9.783 5.285) 11.227 6.845 ( 8.561 -4.024 -10.202) 13.912 6.845 ( 8.561 -4.024 10.202) 13.912 7.368 ( 1.101 -1.460 -22.388) 22.462 7.368 ( 1.101 -1.460 22.388) 22.462 8.098 ( -0.761 -3.139 -19.820) 20.082 8.098 ( -0.761 -3.139 19.820) 20.082 8.491 ( 1.452 4.858 -11.570) 12.633 8.491 ( 1.452 4.858 11.570) 12.633 8.709 ( -2.184 1.153 -5.512) 6.040 8.709 ( -2.184 1.153 5.512) 6.040 8.782 ( 2.588 -3.055 -5.960) 7.181 8.782 ( 2.588 -3.055 5.960) 7.181 11.226 ( -11.340 29.207 -3.992) 31.585 11.226 ( -11.340 29.207 3.992) 31.585 11.463 ( -2.508 4.087 -6.114) 7.770 11.463 ( -2.508 4.087 6.114) 7.770 11.804 ( -1.836 -1.342 -6.684) 7.060 11.804 ( -1.836 -1.342 6.684) 7.060 11.940 ( 1.017 3.623 -20.967) 21.302 11.940 ( 1.017 3.623 20.967) 21.302 12.073 ( -5.030 3.023 -9.162) 10.880 12.073 ( -5.030 3.023 9.162) 10.880 12.209 ( -3.209 -3.074 -15.761) 16.376 12.209 ( -3.209 -3.074 15.761) 16.376 12.554 ( 1.516 -0.009 -2.933) 3.302 12.554 ( 1.516 -0.009 2.933) 3.302 14.777 ( 3.596 -3.139 -6.347) 7.942 14.777 ( 3.596 -3.139 6.347) 7.942 14.910 ( 5.139 -12.851 -16.793) 21.762 14.910 ( 5.139 -12.851 16.793) 21.762 16.361 ( 0.357 -3.682 -0.770) 3.778 16.361 ( 0.357 -3.682 0.770) 3.778 16.657 ( 3.232 -0.749 -1.387) 3.596 16.657 ( 3.232 -0.749 1.387) 3.596 18.287 ( 1.314 -2.016 -3.676) 4.394 18.287 ( 1.314 -2.016 3.676) 4.394 19.600 ( -1.668 4.359 -20.874) 21.390 19.600 ( -1.668 4.359 20.874) 21.390 19.736 ( -3.179 1.391 -15.567) 15.949 19.736 ( -3.179 1.391 15.567) 15.949 20.060 ( -1.440 2.924 -0.139) 3.262 20.060 ( -1.440 2.924 0.139) 3.262 20.957 ( 1.443 -3.844 -1.513) 4.376 20.957 ( 1.443 -3.844 1.513) 4.376 21.125 ( -2.075 5.971 -1.310) 6.456 21.125 ( -2.075 5.971 1.310) 6.456 24.580 ( 0.047 0.042 -0.354) 0.359 24.580 ( 0.047 0.042 0.354) 0.359 25.253 ( -1.170 -11.005 -2.077) 11.260 25.253 ( -1.170 -11.005 2.077) 11.260 25.594 ( 7.947 -2.807 -1.764) 8.611 25.594 ( 7.947 -2.807 1.764) 8.611 27.246 ( 0.039 -1.673 -0.967) 1.932 27.246 ( 0.039 -1.673 0.967) 1.932 27.422 ( 2.117 -0.795 -2.613) 3.455 27.422 ( 2.117 -0.795 2.613) 3.455 29.587 ( 1.081 1.039 -6.976) 7.135 29.587 ( 1.081 1.039 6.976) 7.135 29.842 ( -1.317 0.342 -9.497) 9.594 29.842 ( -1.317 0.342 9.497) 9.594 30.324 ( 1.170 -1.800 -3.537) 4.137 30.324 ( 1.170 -1.800 3.537) 4.137 31.105 ( 3.292 -5.693 -0.716) 6.615 31.105 ( 3.292 -5.693 0.716) 6.615 31.785 ( 1.230 -3.490 -4.186) 5.587 31.785 ( 1.230 -3.490 4.186) 5.587 35.501 ( -17.521 30.805 -13.059) 37.769 35.501 ( -17.521 30.805 13.059) 37.769 ======================= Grid point 271 (78/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 3.838 -7.479 -15.655) 17.769 2.191 ( 3.838 -7.479 15.655) 17.769 2.377 ( 6.562 -13.337 -19.624) 24.618 2.377 ( 6.562 -13.337 19.624) 24.618 3.418 ( -4.159 13.017 -1.721) 13.773 3.418 ( -4.159 13.017 1.721) 13.773 3.643 ( -1.912 0.849 -4.979) 5.401 3.643 ( -1.912 0.849 4.979) 5.401 3.676 ( -3.175 2.284 -9.108) 9.913 3.676 ( -3.175 2.284 9.108) 9.913 3.936 ( -3.317 6.691 -8.226) 11.111 3.936 ( -3.317 6.691 8.226) 11.111 4.260 ( 1.704 -6.836 -17.884) 19.221 4.260 ( 1.704 -6.836 17.884) 19.221 4.482 ( 5.095 -3.590 -2.351) 6.662 4.482 ( 5.095 -3.590 2.351) 6.662 4.846 ( 1.896 -6.921 -6.986) 10.014 4.846 ( 1.896 -6.921 6.986) 10.014 5.927 ( 0.894 1.139 -2.398) 2.801 5.927 ( 0.894 1.139 2.398) 2.801 6.732 ( -1.561 -8.500 -4.727) 9.851 6.732 ( -1.561 -8.500 4.727) 9.851 7.052 ( 8.869 -6.787 -3.794) 11.794 7.052 ( 8.869 -6.787 3.794) 11.794 7.407 ( 0.530 -2.132 -20.855) 20.971 7.407 ( 0.530 -2.132 20.855) 20.971 8.173 ( 0.708 -5.902 -23.240) 23.988 8.173 ( 0.708 -5.902 23.240) 23.988 8.445 ( 2.404 2.127 -7.906) 8.532 8.445 ( 2.404 2.127 7.906) 8.532 8.640 ( 0.266 4.734 -9.623) 10.728 8.640 ( 0.266 4.734 9.623) 10.728 8.882 ( 1.289 -5.489 -13.100) 14.262 8.882 ( 1.289 -5.489 13.100) 14.262 10.613 ( -9.903 27.503 -4.664) 29.601 10.613 ( -9.903 27.503 4.664) 29.601 11.336 ( -3.969 6.614 -4.332) 8.847 11.336 ( -3.969 6.614 4.332) 8.847 11.652 ( -5.276 20.945 -9.336) 23.531 11.652 ( -5.276 20.945 9.336) 23.531 11.821 ( -0.139 3.209 -8.173) 8.782 11.821 ( -0.139 3.209 8.173) 8.782 11.961 ( -8.116 -3.974 -15.411) 17.865 11.961 ( -8.116 -3.974 15.411) 17.865 12.254 ( -3.670 -4.610 -15.414) 16.502 12.254 ( -3.670 -4.610 15.414) 16.502 12.646 ( 3.352 -3.647 -5.293) 7.250 12.646 ( 3.352 -3.647 5.293) 7.250 14.895 ( 4.760 -5.271 -6.441) 9.588 14.895 ( 4.760 -5.271 6.441) 9.588 15.194 ( 5.580 -12.426 -12.655) 18.593 15.194 ( 5.580 -12.426 12.655) 18.593 16.430 ( -0.197 -3.832 -1.231) 4.030 16.430 ( -0.197 -3.832 1.231) 4.030 16.714 ( 4.223 -1.213 -2.195) 4.912 16.714 ( 4.223 -1.213 2.195) 4.912 18.349 ( 1.965 -2.920 -3.214) 4.767 18.349 ( 1.965 -2.920 3.214) 4.767 19.466 ( -3.498 7.548 -11.249) 13.991 19.466 ( -3.498 7.548 11.249) 13.991 19.671 ( -3.713 1.874 -11.264) 12.008 19.671 ( -3.713 1.874 11.264) 12.008 19.976 ( -2.045 4.397 -0.225) 4.855 19.976 ( -2.045 4.397 0.225) 4.855 20.917 ( -1.507 6.056 -1.982) 6.548 20.917 ( -1.507 6.056 1.982) 6.548 21.156 ( 2.780 -7.170 -6.387) 9.996 21.156 ( 2.780 -7.170 6.387) 9.996 24.580 ( 0.078 0.037 -0.559) 0.565 24.580 ( 0.078 0.037 0.559) 0.565 25.416 ( -3.057 -10.030 -4.178) 11.287 25.416 ( -3.057 -10.030 4.178) 11.287 25.763 ( 9.824 -5.053 -3.850) 11.699 25.763 ( 9.824 -5.053 3.850) 11.699 27.262 ( -0.808 -0.308 -3.768) 3.866 27.262 ( -0.808 -0.308 3.768) 3.866 27.460 ( 2.356 -0.613 -6.106) 6.573 27.460 ( 2.356 -0.613 6.106) 6.573 29.592 ( 2.633 0.679 -2.742) 3.862 29.592 ( 2.633 0.679 2.742) 3.862 29.826 ( -0.951 0.029 -9.322) 9.370 29.826 ( -0.951 0.029 9.322) 9.370 30.375 ( 0.272 -3.152 -5.491) 6.338 30.375 ( 0.272 -3.152 5.491) 6.338 31.270 ( 5.278 -7.668 -2.243) 9.576 31.270 ( 5.278 -7.668 2.243) 9.576 31.894 ( 2.744 -7.069 -8.313) 11.252 31.894 ( 2.744 -7.069 8.313) 11.252 34.643 ( -23.264 41.063 -26.453) 54.102 34.643 ( -23.264 41.063 26.453) 54.102 ======================= Grid point 273 (79/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 3.897 -7.744 -9.350) 12.751 2.366 ( 3.897 -7.744 9.350) 12.751 2.692 ( 5.999 -14.288 -13.149) 20.323 2.692 ( 5.999 -14.288 13.149) 20.323 3.175 ( -3.225 9.651 -3.968) 10.921 3.175 ( -3.225 9.651 3.968) 10.921 3.564 ( -5.291 4.890 -4.760) 8.635 3.564 ( -5.291 4.890 4.760) 8.635 3.617 ( -2.482 0.552 -7.149) 7.587 3.617 ( -2.482 0.552 7.149) 7.587 3.800 ( 0.193 5.625 -4.049) 6.933 3.800 ( 0.193 5.625 4.049) 6.933 4.397 ( 1.493 -5.169 -10.324) 11.642 4.397 ( 1.493 -5.169 10.324) 11.642 4.579 ( 2.508 -3.326 -3.164) 5.231 4.579 ( 2.508 -3.326 3.164) 5.231 4.965 ( 2.174 -4.463 -8.307) 9.678 4.965 ( 2.174 -4.463 8.307) 9.678 5.936 ( 1.800 -0.392 -2.286) 2.936 5.936 ( 1.800 -0.392 2.286) 2.936 6.860 ( 0.822 -6.878 -5.025) 8.557 6.860 ( 0.822 -6.878 5.025) 8.557 7.159 ( 1.936 0.712 -3.165) 3.778 7.159 ( 1.936 0.712 3.165) 3.778 7.466 ( -0.355 -4.462 -18.862) 19.386 7.466 ( -0.355 -4.462 18.862) 19.386 8.297 ( 2.180 -4.941 -25.805) 26.365 8.297 ( 2.180 -4.941 25.805) 26.365 8.474 ( 3.030 -2.544 -10.688) 11.397 8.474 ( 3.030 -2.544 10.688) 11.397 8.578 ( 0.902 2.415 -14.970) 15.190 8.578 ( 0.902 2.415 14.970) 15.190 8.969 ( 1.024 -2.462 -14.741) 14.980 8.969 ( 1.024 -2.462 14.741) 14.980 10.152 ( -4.475 16.616 -5.952) 18.208 10.152 ( -4.475 16.616 5.952) 18.208 11.156 ( -5.624 10.799 -0.734) 12.198 11.156 ( -5.624 10.799 0.734) 12.198 11.257 ( -3.969 14.138 -1.648) 14.777 11.257 ( -3.969 14.138 1.648) 14.777 11.762 ( -3.132 1.816 -7.521) 8.347 11.762 ( -3.132 1.816 7.521) 8.347 11.978 ( -2.553 -3.148 -10.322) 11.090 11.978 ( -2.553 -3.148 10.322) 11.090 12.280 ( -3.005 -2.297 -16.679) 17.103 12.280 ( -3.005 -2.297 16.679) 17.103 12.703 ( 0.840 -0.785 -6.277) 6.382 12.703 ( 0.840 -0.785 6.277) 6.382 15.031 ( 4.131 -4.833 -7.588) 9.899 15.031 ( 4.131 -4.833 7.588) 9.899 15.418 ( 3.906 -7.767 -12.790) 15.465 15.418 ( 3.906 -7.767 12.790) 15.465 16.483 ( -0.312 -2.645 -1.319) 2.972 16.483 ( -0.312 -2.645 1.319) 2.972 16.773 ( 2.899 -1.318 -2.082) 3.805 16.773 ( 2.899 -1.318 2.082) 3.805 18.415 ( 1.653 -2.391 -2.420) 3.782 18.415 ( 1.653 -2.391 2.420) 3.782 19.301 ( -3.266 6.857 -4.064) 8.614 19.301 ( -3.266 6.857 4.064) 8.614 19.608 ( -2.804 1.529 -6.718) 7.439 19.608 ( -2.804 1.529 6.718) 7.439 19.885 ( -1.571 3.702 -0.756) 4.092 19.885 ( -1.571 3.702 0.756) 4.092 20.821 ( -0.181 3.910 -2.654) 4.729 20.821 ( -0.181 3.910 2.654) 4.729 21.306 ( 2.115 -6.418 -6.654) 9.484 21.306 ( 2.115 -6.418 6.654) 9.484 24.580 ( 0.082 0.003 -0.519) 0.525 24.580 ( 0.082 0.003 0.519) 0.525 25.545 ( -1.378 -7.618 -4.946) 9.187 25.545 ( -1.378 -7.618 4.946) 9.187 25.916 ( 5.823 -3.156 -4.448) 7.979 25.916 ( 5.823 -3.156 4.448) 7.979 27.240 ( -1.154 1.459 -8.112) 8.322 27.240 ( -1.154 1.459 8.112) 8.322 27.483 ( 1.115 -0.111 -8.407) 8.481 27.483 ( 1.115 -0.111 8.407) 8.481 29.598 ( 1.906 1.695 -2.309) 3.441 29.598 ( 1.906 1.695 2.309) 3.441 29.832 ( 0.393 -1.102 -9.385) 9.458 29.832 ( 0.393 -1.102 9.385) 9.458 30.432 ( -0.487 -3.417 -7.129) 7.920 30.432 ( -0.487 -3.417 7.129) 7.920 31.444 ( 4.848 -6.008 -3.001) 8.283 31.444 ( 4.848 -6.008 3.001) 8.283 32.089 ( 5.145 -11.417 -13.395) 18.337 32.089 ( 5.145 -11.417 13.395) 18.337 33.745 ( -20.401 36.264 -30.491) 51.585 33.745 ( -20.401 36.264 30.491) 51.585 ======================= Grid point 275 (80/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 1.851 -3.454 -3.322) 5.137 2.500 ( 1.851 -3.454 3.322) 5.137 2.904 ( 1.159 -4.423 -4.678) 6.541 2.904 ( 1.159 -4.423 4.678) 6.541 3.062 ( -0.055 1.400 -4.273) 4.497 3.062 ( -0.055 1.400 4.273) 4.497 3.453 ( -1.910 2.061 -7.636) 8.136 3.453 ( -1.910 2.061 7.636) 8.136 3.586 ( -1.726 0.489 -5.454) 5.741 3.586 ( -1.726 0.489 5.454) 5.741 3.738 ( 0.699 2.425 -3.962) 4.698 3.738 ( 0.699 2.425 3.962) 4.698 4.453 ( 0.046 -1.132 -3.018) 3.224 4.453 ( 0.046 -1.132 3.018) 3.224 4.641 ( 0.850 -1.503 -1.948) 2.603 4.641 ( 0.850 -1.503 1.948) 2.603 5.035 ( 1.031 -1.628 -4.969) 5.330 5.035 ( 1.031 -1.628 4.969) 5.330 5.962 ( 1.029 -0.513 -0.926) 1.477 5.962 ( 1.029 -0.513 0.926) 1.477 6.972 ( 1.287 -4.127 -4.365) 6.144 6.972 ( 1.287 -4.127 4.365) 6.144 7.120 ( -0.681 2.846 -6.805) 7.408 7.120 ( -0.681 2.846 6.805) 7.408 7.522 ( -0.528 -2.060 -14.223) 14.381 7.522 ( -0.528 -2.060 14.223) 14.381 8.346 ( 0.399 -0.309 -19.309) 19.316 8.346 ( 0.399 -0.309 19.309) 19.316 8.558 ( 1.147 -2.689 -18.175) 18.408 8.558 ( 1.147 -2.689 18.175) 18.408 8.584 ( 1.154 -0.917 -14.580) 14.654 8.584 ( 1.154 -0.917 14.580) 14.654 8.981 ( 0.515 1.034 -7.768) 7.854 8.981 ( 0.515 1.034 7.768) 7.854 9.962 ( -0.573 3.846 -8.616) 9.453 9.962 ( -0.573 3.846 8.616) 9.453 10.910 ( -3.277 7.310 -1.341) 8.123 10.910 ( -3.277 7.310 1.341) 8.123 11.114 ( -0.757 3.138 -3.280) 4.602 11.114 ( -0.757 3.138 3.280) 4.602 11.712 ( -1.675 0.775 -6.844) 7.088 11.712 ( -1.675 0.775 6.844) 7.088 12.001 ( -0.618 -1.167 -7.734) 7.846 12.001 ( -0.618 -1.167 7.734) 7.846 12.280 ( -1.231 -0.474 -15.454) 15.510 12.280 ( -1.231 -0.474 15.454) 15.510 12.708 ( -0.014 0.093 -5.743) 5.744 12.708 ( -0.014 0.093 5.743) 5.744 15.122 ( 1.641 -1.963 -9.000) 9.357 15.122 ( 1.641 -1.963 9.000) 9.357 15.532 ( 1.408 -2.479 -14.983) 15.252 15.532 ( 1.408 -2.479 14.983) 15.252 16.513 ( -0.111 -0.986 -0.838) 1.299 16.513 ( -0.111 -0.986 0.838) 1.299 16.810 ( 0.936 -0.630 -1.288) 1.712 16.810 ( 0.936 -0.630 1.288) 1.712 18.456 ( 0.637 -0.923 -1.580) 1.938 18.456 ( 0.637 -0.923 1.580) 1.938 19.192 ( -1.283 2.728 -2.987) 4.244 19.192 ( -1.283 2.728 2.987) 4.244 19.570 ( -1.047 0.575 -2.247) 2.545 19.570 ( -1.047 0.575 2.247) 2.545 19.829 ( -0.533 1.384 -1.119) 1.858 19.829 ( -0.533 1.384 1.119) 1.858 20.776 ( 0.082 1.327 -3.053) 3.330 20.776 ( 0.082 1.327 3.053) 3.330 21.399 ( 0.732 -2.400 -5.980) 6.485 21.399 ( 0.732 -2.400 5.980) 6.485 24.581 ( 0.037 -0.006 -0.238) 0.241 24.581 ( 0.037 -0.006 0.238) 0.241 25.637 ( -0.175 -3.323 -5.627) 6.537 25.637 ( -0.175 -3.323 5.627) 6.537 25.984 ( 1.749 -0.646 -4.138) 4.539 25.984 ( 1.749 -0.646 4.138) 4.539 27.207 ( -0.545 0.934 -11.250) 11.302 27.207 ( -0.545 0.934 11.250) 11.302 27.491 ( 0.286 -0.042 -8.607) 8.612 27.491 ( 0.286 -0.042 8.607) 8.612 29.580 ( 0.408 1.141 -2.757) 3.012 29.580 ( 0.408 1.141 2.757) 3.012 29.857 ( 0.549 -0.741 -9.302) 9.347 29.857 ( 0.549 -0.741 9.302) 9.347 30.472 ( -0.312 -1.492 -7.856) 8.002 30.472 ( -0.312 -1.492 7.856) 8.002 31.551 ( 1.939 -2.201 -2.721) 4.001 31.551 ( 1.939 -2.201 2.721) 4.001 32.387 ( 7.349 -14.334 -17.536) 23.812 32.387 ( 7.349 -14.334 17.536) 23.812 33.049 ( -12.838 23.185 -25.150) 36.536 33.049 ( -12.838 23.185 25.150) 36.536 ======================= Grid point 287 (81/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 7.078 0.000 -21.716) 22.840 2.068 ( 7.078 0.000 21.716) 22.840 2.128 ( 6.294 0.000 -21.162) 22.078 2.128 ( 6.294 0.000 21.162) 22.078 3.662 ( -3.484 -0.000 -10.457) 11.022 3.662 ( -3.484 -0.000 10.457) 11.022 3.682 ( -0.098 -0.000 -10.682) 10.683 3.682 ( -0.098 -0.000 10.682) 10.683 3.760 ( -6.485 -0.000 -20.020) 21.044 3.760 ( -6.485 -0.000 20.020) 21.044 4.034 ( -6.008 -0.000 -6.737) 9.027 4.034 ( -6.008 -0.000 6.737) 9.027 4.072 ( 5.437 0.000 -27.439) 27.972 4.072 ( 5.437 0.000 27.439) 27.972 4.543 ( 5.401 0.000 -1.803) 5.693 4.543 ( 5.401 0.000 1.803) 5.693 4.600 ( 2.078 0.000 -0.026) 2.078 4.600 ( 2.078 0.000 0.026) 2.078 5.963 ( -0.908 -0.000 -2.967) 3.103 5.963 ( -0.908 -0.000 2.967) 3.103 6.527 ( 5.071 0.000 -6.165) 7.982 6.527 ( 5.071 0.000 6.165) 7.982 6.890 ( 8.296 0.000 -10.000) 12.993 6.890 ( 8.296 0.000 10.000) 12.993 7.378 ( 2.962 0.000 -20.003) 20.222 7.378 ( 2.962 0.000 20.003) 20.222 8.064 ( -0.235 -0.000 -19.603) 19.605 8.064 ( -0.235 -0.000 19.603) 19.605 8.566 ( 0.539 0.000 -22.088) 22.095 8.566 ( 0.539 0.000 22.088) 22.095 8.654 ( -1.047 -0.000 -2.292) 2.520 8.654 ( -1.047 -0.000 2.292) 2.520 8.808 ( 2.592 0.000 -4.014) 4.778 8.808 ( 2.592 0.000 4.014) 4.778 11.318 ( -30.955 -0.000 -4.020) 31.215 11.318 ( -30.955 -0.000 4.020) 31.215 11.439 ( -5.679 -0.000 -4.997) 7.565 11.439 ( -5.679 -0.000 4.997) 7.565 11.731 ( 0.961 0.000 -8.486) 8.540 11.731 ( 0.961 0.000 8.486) 8.540 11.941 ( -7.683 -0.000 -20.652) 22.035 11.941 ( -7.683 -0.000 20.652) 22.035 12.043 ( -0.970 -0.000 -20.455) 20.478 12.043 ( -0.970 -0.000 20.455) 20.478 12.218 ( 0.896 0.000 -18.087) 18.109 12.218 ( 0.896 0.000 18.087) 18.109 12.580 ( 2.900 0.000 -10.780) 11.163 12.580 ( 2.900 0.000 10.780) 11.163 14.784 ( 3.381 0.000 -21.041) 21.311 14.784 ( 3.381 0.000 21.041) 21.311 14.882 ( 12.435 0.000 -1.083) 12.482 14.882 ( 12.435 0.000 1.083) 12.482 16.337 ( 1.399 0.000 -0.323) 1.436 16.337 ( 1.399 0.000 0.323) 1.436 16.696 ( 5.386 0.000 -0.669) 5.427 16.696 ( 5.386 0.000 0.669) 5.427 18.289 ( 2.572 0.000 -3.945) 4.710 18.289 ( 2.572 0.000 3.945) 4.710 19.622 ( -1.922 -0.000 -22.821) 22.902 19.622 ( -1.922 -0.000 22.821) 22.902 19.694 ( -6.734 -0.000 -15.853) 17.224 19.694 ( -6.734 -0.000 15.853) 17.224 20.063 ( -3.046 -0.000 -0.373) 3.069 20.063 ( -3.046 -0.000 0.373) 3.069 20.939 ( 2.221 0.000 -2.183) 3.114 20.939 ( 2.221 0.000 2.183) 3.114 21.150 ( -3.968 -0.000 -1.638) 4.293 21.150 ( -3.968 -0.000 1.638) 4.293 24.581 ( 0.072 0.000 -0.081) 0.108 24.581 ( 0.072 0.000 0.081) 0.108 25.164 ( 2.478 0.000 -4.029) 4.730 25.164 ( 2.478 0.000 4.029) 4.730 25.664 ( 11.062 0.000 -5.713) 12.450 25.664 ( 11.062 0.000 5.713) 12.450 27.236 ( 1.033 0.000 -1.215) 1.595 27.236 ( 1.033 0.000 1.215) 1.595 27.443 ( 3.413 0.000 -4.105) 5.338 27.443 ( 3.413 0.000 4.105) 5.338 29.609 ( 1.306 0.000 -9.799) 9.885 29.609 ( 1.306 0.000 9.799) 9.885 29.825 ( -1.976 -0.000 -8.539) 8.765 29.825 ( -1.976 -0.000 8.539) 8.765 30.334 ( 2.882 0.000 -2.355) 3.722 30.334 ( 2.882 0.000 2.355) 3.722 31.102 ( 6.300 0.000 -0.089) 6.301 31.102 ( 6.300 0.000 0.089) 6.301 31.773 ( 2.434 0.000 -2.010) 3.156 31.773 ( 2.434 0.000 2.010) 3.156 35.505 ( -35.083 -0.000 -12.996) 37.413 35.505 ( -35.083 -0.000 12.996) 37.413 ======================= Grid point 289 (82/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 8.030 -2.410 -19.030) 20.795 2.162 ( 8.030 -2.410 19.030) 20.795 2.279 ( 9.769 -7.558 -20.242) 23.713 2.279 ( 9.769 -7.558 20.242) 23.713 3.552 ( -7.861 7.869 -2.869) 11.487 3.552 ( -7.861 7.869 2.869) 11.487 3.647 ( -2.667 2.447 -4.356) 5.664 3.647 ( -2.667 2.447 4.356) 5.664 3.679 ( -2.435 1.698 -7.082) 7.679 3.679 ( -2.435 1.698 7.082) 7.679 3.949 ( -6.180 1.139 -4.613) 7.796 3.949 ( -6.180 1.139 4.613) 7.796 4.191 ( 5.419 -4.817 -24.506) 25.556 4.191 ( 5.419 -4.817 24.506) 25.556 4.531 ( 5.808 2.322 -1.109) 6.352 4.531 ( 5.808 2.322 1.109) 6.352 4.743 ( 3.670 -7.756 -4.565) 9.719 4.743 ( 3.670 -7.756 4.565) 9.719 5.947 ( -0.297 0.496 -6.476) 6.502 5.947 ( -0.297 0.496 6.476) 6.502 6.634 ( 5.903 -4.539 -4.559) 8.731 6.634 ( 5.903 -4.539 4.559) 8.731 7.017 ( 6.362 -5.666 -7.725) 11.500 7.017 ( 6.362 -5.666 7.725) 11.500 7.408 ( 2.439 0.233 -16.130) 16.315 7.408 ( 2.439 0.233 16.130) 16.315 8.103 ( 2.250 -3.622 -21.174) 21.599 8.103 ( 2.250 -3.622 21.174) 21.599 8.508 ( -0.652 3.385 -13.534) 13.966 8.508 ( -0.652 3.385 13.534) 13.966 8.696 ( 1.463 -0.419 -11.168) 11.271 8.696 ( 1.463 -0.419 11.168) 11.271 8.828 ( 1.795 -1.247 -7.649) 7.955 8.828 ( 1.795 -1.247 7.649) 7.955 10.833 ( -26.323 16.765 -3.415) 31.395 10.833 ( -26.323 16.765 3.415) 31.395 11.365 ( -5.944 2.595 -2.961) 7.129 11.365 ( -5.944 2.595 2.961) 7.129 11.743 ( -8.974 -0.117 -5.099) 10.323 11.743 ( -8.974 -0.117 5.099) 10.323 11.801 ( -11.182 0.750 -5.437) 12.457 11.801 ( -11.182 0.750 5.437) 12.457 12.053 ( 1.037 10.108 -20.254) 22.660 12.053 ( 1.037 10.108 20.254) 22.660 12.123 ( 1.203 -0.879 -13.524) 13.606 12.123 ( 1.203 -0.879 13.524) 13.606 12.658 ( 6.891 -1.824 -13.822) 15.552 12.658 ( 6.891 -1.824 13.822) 15.552 14.867 ( 5.179 -4.102 -13.263) 14.817 14.867 ( 5.179 -4.102 13.263) 14.817 15.080 ( 9.920 -8.202 -4.069) 13.499 15.080 ( 9.920 -8.202 4.069) 13.499 16.378 ( 1.340 -2.738 -0.740) 3.137 16.378 ( 1.340 -2.738 0.740) 3.137 16.752 ( 5.285 -0.020 -1.153) 5.410 16.752 ( 5.285 -0.020 1.153) 5.410 18.333 ( 3.077 -1.642 -3.881) 5.218 18.333 ( 3.077 -1.642 3.881) 5.218 19.543 ( -3.977 5.299 -10.845) 12.709 19.543 ( -3.977 5.299 10.845) 12.709 19.632 ( -6.253 -0.235 -9.424) 11.313 19.632 ( -6.253 -0.235 9.424) 11.313 20.006 ( -3.907 2.341 -0.368) 4.569 20.006 ( -3.907 2.341 0.368) 4.569 20.952 ( -2.812 0.561 -1.981) 3.485 20.952 ( -2.812 0.561 1.981) 3.485 21.124 ( 3.555 -0.676 -6.966) 7.850 21.124 ( 3.555 -0.676 6.966) 7.850 24.582 ( 0.082 0.035 -0.352) 0.364 24.582 ( 0.082 0.035 0.352) 0.364 25.258 ( 2.104 -6.805 -2.511) 7.552 25.258 ( 2.104 -6.805 2.511) 7.552 25.798 ( 10.250 -2.467 -8.570) 13.587 25.798 ( 10.250 -2.467 8.570) 13.587 27.254 ( 0.891 -0.410 -0.084) 0.984 27.254 ( 0.891 -0.410 0.084) 0.984 27.480 ( 2.749 -0.191 -7.708) 8.186 27.480 ( 2.749 -0.191 7.708) 8.186 29.625 ( 2.248 -0.304 -8.202) 8.510 29.625 ( 2.248 -0.304 8.202) 8.510 29.815 ( -0.463 -0.164 -7.530) 7.546 29.815 ( -0.463 -0.164 7.530) 7.546 30.358 ( 1.937 0.180 -2.177) 2.920 30.358 ( 1.937 0.180 2.177) 2.920 31.224 ( 8.159 -5.242 -0.638) 9.718 31.224 ( 8.159 -5.242 0.638) 9.718 31.834 ( 3.730 -3.570 -4.665) 6.958 31.834 ( 3.730 -3.570 4.665) 6.958 34.899 ( -39.650 23.285 -23.521) 51.649 34.899 ( -39.650 23.285 23.521) 51.649 ======================= Grid point 291 (83/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 7.569 -4.979 -13.382) 16.161 2.307 ( 7.569 -4.979 13.382) 16.161 2.550 ( 10.593 -11.294 -15.115) 21.639 2.550 ( 10.593 -11.294 15.115) 21.639 3.305 ( -6.559 10.446 -2.706) 12.628 3.305 ( -6.559 10.446 2.706) 12.628 3.568 ( -6.574 2.305 -1.096) 7.052 3.568 ( -6.574 2.305 1.096) 7.052 3.621 ( -1.661 2.441 -4.319) 5.232 3.621 ( -1.661 2.441 4.319) 5.232 3.863 ( -2.881 2.694 -3.972) 5.598 3.863 ( -2.881 2.694 3.972) 5.598 4.341 ( 5.590 -5.074 -15.838) 17.545 4.341 ( 5.590 -5.074 15.838) 17.545 4.570 ( 3.436 -0.833 -2.451) 4.302 4.570 ( 3.436 -0.833 2.451) 4.302 4.903 ( 3.778 -6.145 -6.432) 9.665 4.903 ( 3.778 -6.145 6.432) 9.665 5.952 ( 1.698 -0.300 -7.730) 7.920 5.952 ( 1.698 -0.300 7.730) 7.920 6.777 ( 5.155 -5.574 -4.206) 8.680 6.777 ( 5.155 -5.574 4.206) 8.680 7.153 ( 1.283 -3.919 -3.399) 5.344 7.153 ( 1.283 -3.919 3.399) 5.344 7.416 ( 0.257 -0.464 -17.021) 17.029 7.416 ( 0.257 -0.464 17.021) 17.029 8.226 ( 3.983 -6.075 -23.701) 24.789 8.226 ( 3.983 -6.075 23.701) 24.789 8.477 ( 1.056 -0.050 -11.719) 11.766 8.477 ( 1.056 -0.050 11.719) 11.766 8.661 ( 1.673 4.956 -12.126) 13.206 8.661 ( 1.673 4.956 12.126) 13.206 8.902 ( 0.313 -4.794 -12.793) 13.665 8.902 ( 0.313 -4.794 12.793) 13.665 10.328 ( -17.903 14.821 -5.749) 23.942 10.328 ( -17.903 14.821 5.749) 23.942 11.238 ( -5.310 5.570 -1.653) 7.871 11.238 ( -5.310 5.570 1.653) 7.871 11.480 ( -10.819 13.667 -4.640) 18.038 11.480 ( -10.819 13.667 4.640) 18.038 11.712 ( -6.740 1.577 -13.428) 15.107 11.712 ( -6.740 1.577 13.428) 15.107 11.963 ( 3.916 1.930 -12.353) 13.102 11.963 ( 3.916 1.930 12.353) 13.102 12.187 ( -1.348 -4.334 -17.344) 17.928 12.187 ( -1.348 -4.334 17.344) 17.928 12.727 ( 3.972 0.355 -14.979) 15.501 12.727 ( 3.972 0.355 14.979) 15.501 15.002 ( 5.841 -4.548 -5.800) 9.404 15.002 ( 5.841 -4.548 5.800) 9.404 15.311 ( 5.118 -9.045 -8.119) 13.188 15.311 ( 5.118 -9.045 8.119) 13.188 16.443 ( 1.348 -2.969 -1.760) 3.705 16.443 ( 1.348 -2.969 1.760) 3.705 16.795 ( 3.616 0.200 -1.713) 4.006 16.795 ( 3.616 0.200 1.713) 4.006 18.395 ( 2.440 -2.062 -3.394) 4.661 18.395 ( 2.440 -2.062 3.394) 4.661 19.394 ( -3.437 7.056 -4.833) 9.218 19.394 ( -3.437 7.056 4.833) 9.218 19.573 ( -5.721 -0.047 -6.130) 8.385 19.573 ( -5.721 -0.047 6.130) 8.385 19.918 ( -3.739 3.060 -0.405) 4.848 19.918 ( -3.739 3.060 0.405) 4.848 20.884 ( -1.383 3.518 -2.366) 4.459 20.884 ( -1.383 3.518 2.366) 4.459 21.233 ( 4.456 -5.348 -7.076) 9.926 21.233 ( 4.456 -5.348 7.076) 9.926 24.582 ( 0.093 0.033 -0.563) 0.571 24.582 ( 0.093 0.033 0.563) 0.571 25.409 ( 2.050 -8.050 -2.645) 8.718 25.409 ( 2.050 -8.050 2.645) 8.718 25.925 ( 5.994 -2.418 -8.053) 10.326 25.925 ( 5.994 -2.418 8.053) 10.326 27.255 ( 0.162 1.050 -2.958) 3.143 27.255 ( 0.162 1.050 2.958) 3.143 27.494 ( 0.617 0.349 -10.848) 10.871 27.494 ( 0.617 0.349 10.848) 10.871 29.658 ( 3.330 0.666 -5.195) 6.206 29.658 ( 3.330 0.666 5.195) 6.206 29.821 ( 1.057 -0.460 -8.285) 8.365 29.821 ( 1.057 -0.460 8.285) 8.365 30.373 ( -0.452 -1.506 -3.895) 4.200 30.373 ( -0.452 -1.506 3.895) 4.200 31.410 ( 8.407 -5.889 -1.627) 10.392 31.410 ( 8.407 -5.889 1.627) 10.392 31.972 ( 5.026 -7.711 -8.905) 12.807 31.972 ( 5.026 -7.711 8.905) 12.807 34.058 ( -33.309 29.547 -30.270) 53.840 34.058 ( -33.309 29.547 30.270) 53.840 ======================= Grid point 293 (84/100) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 4.841 -4.475 -6.802) 9.472 2.458 ( 4.841 -4.475 6.802) 9.472 2.820 ( 6.091 -8.295 -7.264) 12.597 2.820 ( 6.091 -8.295 7.264) 12.597 3.117 ( -1.798 5.355 -5.083) 7.600 3.117 ( -1.798 5.355 5.083) 7.600 3.457 ( -5.066 2.096 -6.228) 8.297 3.457 ( -5.066 2.096 6.228) 8.297 3.577 ( -1.405 0.916 -3.063) 3.492 3.577 ( -1.405 0.916 3.063) 3.492 3.803 ( 0.151 3.258 -3.757) 4.975 3.803 ( 0.151 3.258 3.757) 4.975 4.442 ( 2.913 -1.721 -6.273) 7.127 4.442 ( 2.913 -1.721 6.273) 7.127 4.619 ( 1.359 -1.862 -3.044) 3.818 4.619 ( 1.359 -1.862 3.044) 3.818 5.017 ( 2.901 -2.970 -4.726) 6.291 5.017 ( 2.901 -2.970 4.726) 6.291 5.980 ( 2.482 -0.008 -6.806) 7.244 5.980 ( 2.482 -0.008 6.806) 7.244 6.917 ( 4.236 -4.801 -2.846) 7.007 6.917 ( 4.236 -4.801 2.846) 7.007 7.160 ( -1.323 1.918 -4.077) 4.696 7.160 ( -1.323 1.918 4.077) 4.696 7.453 ( -0.936 -3.928 -18.860) 19.288 7.453 ( -0.936 -3.928 18.860) 19.288 8.336 ( 1.573 -2.686 -21.861) 22.082 8.336 ( 1.573 -2.686 21.861) 22.082 8.529 ( 2.008 -2.703 -11.908) 12.374 8.529 ( 2.008 -2.703 11.908) 12.374 8.605 ( 1.741 2.394 -11.531) 11.905 8.605 ( 1.741 2.394 11.531) 11.905 8.953 ( -3.139 -1.923 -11.086) 11.682 8.953 ( -3.139 -1.923 11.086) 11.682 10.009 ( -9.209 6.228 -7.436) 13.375 10.009 ( -9.209 6.228 7.436) 13.375 11.060 ( -3.609 9.812 -4.302) 11.305 11.060 ( -3.609 9.812 4.302) 11.305 11.196 ( -1.913 9.867 -5.422) 11.420 11.196 ( -1.913 9.867 5.422) 11.420 11.644 ( -7.131 -2.101 -11.347) 13.565 11.644 ( -7.131 -2.101 11.347) 13.565 11.995 ( 2.775 -0.860 -8.781) 9.249 11.995 ( 2.775 -0.860 8.781) 9.249 12.235 ( -1.062 -2.818 -15.632) 15.919 12.235 ( -1.062 -2.818 15.632) 15.919 12.736 ( 2.221 1.588 -16.431) 16.657 12.736 ( 2.221 1.588 16.431) 16.657 15.116 ( 4.355 -2.250 -7.322) 8.811 15.116 ( 4.355 -2.250 7.322) 8.811 15.471 ( 0.901 -5.804 -12.420) 13.739 15.471 ( 0.901 -5.804 12.420) 13.739 16.501 ( 1.841 -1.860 -2.221) 3.433 16.501 ( 1.841 -1.860 2.221) 3.433 16.817 ( 1.668 0.282 -1.944) 2.577 16.817 ( 1.668 0.282 1.944) 2.577 18.444 ( 1.130 -1.370 -2.517) 3.081 18.444 ( 1.130 -1.370 2.517) 3.081 19.257 ( -0.928 5.674 -1.658) 5.984 19.257 ( -0.928 5.674 1.658) 5.984 19.531 ( -4.646 -1.287 -2.684) 5.517 19.531 ( -4.646 -1.287 2.684) 5.517 19.840 ( -2.856 1.839 -0.761) 3.481 19.840 ( -2.856 1.839 0.761) 3.481 20.819 ( 0.077 3.178 -2.944) 4.333 20.819 ( 0.077 3.178 2.944) 4.333 21.356 ( 2.647 -4.258 -6.633) 8.315 21.356 ( 2.647 -4.258 6.633) 8.315 24.582 ( 0.073 0.036 -0.514) 0.521 24.582 ( 0.073 0.036 0.514) 0.521 25.564 ( 2.939 -6.613 -5.012) 8.803 25.564 ( 2.939 -6.613 5.012) 8.803 25.988 ( 1.408 -0.569 -5.552) 5.756 25.988 ( 1.408 -0.569 5.552) 5.756 27.226 ( -0.252 1.872 -7.170) 7.415 27.226 ( -0.252 1.872 7.170) 7.415 27.490 ( -0.455 0.034 -10.973) 10.983 27.490 ( -0.455 0.034 10.973) 10.983 29.647 ( 2.897 3.764 -4.008) 6.215 29.647 ( 2.897 3.764 4.008) 6.215 29.852 ( 1.682 -0.993 -9.022) 9.231 29.852 ( 1.682 -0.993 9.022) 9.231 30.406 ( -2.122 -3.651 -6.166) 7.474 30.406 ( -2.122 -3.651 6.166) 7.474 31.560 ( 6.568 -2.186 -1.542) 7.092 31.560 ( 6.568 -2.186 1.542) 7.092 32.209 ( 6.633 -13.356 -14.401) 20.731 32.209 ( 6.633 -13.356 14.401) 20.731 33.296 ( -23.443 25.085 -28.869) 44.858 33.296 ( -23.443 25.085 28.869) 44.858 ======================= Grid point 295 (85/100) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.367 0.226 -2.308) 2.348 2.524 ( 0.367 0.226 2.308) 2.348 2.922 ( 0.792 -1.428 -3.805) 4.141 2.922 ( 0.792 -1.428 3.805) 4.141 3.076 ( 0.903 1.551 -1.653) 2.440 3.076 ( 0.903 1.551 1.653) 2.440 3.430 ( -0.071 -1.532 -5.939) 6.133 3.430 ( -0.071 -1.532 5.939) 6.133 3.573 ( 0.368 -1.661 -4.403) 4.720 3.573 ( 0.368 -1.661 4.403) 4.720 3.748 ( 0.389 3.176 -5.983) 6.785 3.748 ( 0.389 3.176 5.983) 6.785 4.476 ( 2.161 0.225 -0.799) 2.315 4.476 ( 2.161 0.225 0.799) 2.315 4.645 ( -0.468 -0.270 -1.781) 1.861 4.645 ( -0.468 -0.270 1.781) 1.861 5.055 ( 0.853 0.742 -4.974) 5.101 5.055 ( 0.853 0.742 4.974) 5.101 5.985 ( 1.157 1.768 -5.052) 5.476 5.985 ( 1.157 1.768 5.052) 5.476 7.002 ( 1.400 -0.765 -2.131) 2.662 7.002 ( 1.400 -0.765 2.131) 2.662 7.111 ( 0.039 1.460 -6.668) 6.826 7.111 ( 0.039 1.460 6.668) 6.826 7.512 ( -0.440 -3.164 -15.125) 15.458 7.512 ( -0.440 -3.164 15.125) 15.458 8.360 ( 1.118 0.883 -16.724) 16.785 8.360 ( 1.118 0.883 16.724) 16.785 8.571 ( 0.271 -1.439 -19.234) 19.289 8.571 ( 0.271 -1.439 19.234) 19.289 8.605 ( 0.771 1.537 -12.690) 12.806 8.605 ( 0.771 1.537 12.690) 12.806 8.914 ( -6.982 -1.061 -4.348) 8.294 8.914 ( -6.982 -1.061 4.348) 8.294 9.910 ( -3.723 -0.723 -9.352) 10.092 9.910 ( -3.723 -0.723 9.352) 10.092 10.921 ( 3.455 3.881 -4.176) 6.666 10.921 ( 3.455 3.881 4.176) 6.666 11.087 ( -1.690 1.260 -4.345) 4.829 11.087 ( -1.690 1.260 4.345) 4.829 11.647 ( -3.983 -4.497 -7.581) 9.673 11.647 ( -3.983 -4.497 7.581) 9.673 12.035 ( 3.336 -0.128 -7.962) 8.634 12.035 ( 3.336 -0.128 7.962) 8.634 12.269 ( -0.420 -2.083 -12.893) 13.067 12.269 ( -0.420 -2.083 12.893) 13.067 12.732 ( 2.317 1.237 -17.148) 17.348 12.732 ( 2.317 1.237 17.148) 17.348 15.150 ( 1.213 1.614 -10.578) 10.769 15.150 ( 1.213 1.614 10.578) 10.769 15.526 ( -1.839 -1.314 -14.749) 14.921 15.526 ( -1.839 -1.314 14.749) 14.921 16.538 ( 2.423 0.078 -1.664) 2.940 16.538 ( 2.423 0.078 1.664) 2.940 16.815 ( -0.379 0.864 -2.025) 2.234 16.815 ( -0.379 0.864 2.025) 2.234 18.461 ( -0.139 0.068 -1.619) 1.626 18.461 ( -0.139 0.068 1.619) 1.626 19.197 ( 1.664 1.533 -2.636) 3.474 19.197 ( 1.664 1.533 2.636) 3.474 19.529 ( -2.864 -2.808 -1.390) 4.246 19.529 ( -2.864 -2.808 1.390) 4.246 19.806 ( -1.649 -0.572 -0.989) 2.006 19.806 ( -1.649 -0.572 0.989) 2.006 20.779 ( 0.169 1.523 -2.957) 3.330 20.779 ( 0.169 1.523 2.957) 3.330 21.417 ( 0.996 -0.516 -6.124) 6.226 21.417 ( 0.996 -0.516 6.124) 6.226 24.582 ( 0.017 0.062 -0.224) 0.233 24.582 ( 0.017 0.062 0.224) 0.233 25.672 ( 3.529 -1.638 -6.384) 7.476 25.672 ( 3.529 -1.638 6.384) 7.476 25.977 ( -2.346 1.032 -4.305) 5.010 25.977 ( -2.346 1.032 4.305) 5.010 27.203 ( 0.186 0.301 -10.592) 10.598 27.203 ( 0.186 0.301 10.592) 10.598 27.485 ( -0.733 -0.117 -9.419) 9.448 27.485 ( -0.733 -0.117 9.419) 9.448 29.610 ( 2.351 3.135 -3.389) 5.181 29.610 ( 2.351 3.135 3.389) 5.181 29.868 ( 0.554 0.625 -9.235) 9.273 29.868 ( 0.554 0.625 9.235) 9.273 30.447 ( -2.088 -3.164 -7.441) 8.351 30.447 ( -2.088 -3.164 7.441) 8.351 31.602 ( 2.959 2.858 -1.838) 4.506 31.602 ( 2.959 2.858 1.838) 4.506 32.484 ( 0.592 -2.412 -13.977) 14.196 32.484 ( 0.592 -2.412 13.977) 14.196 32.841 ( -5.870 -1.383 -17.623) 18.627 32.841 ( -5.870 -1.383 17.623) 18.627 ======================= Grid point 299 (86/100) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -1.738 5.801 -4.378) 7.473 2.462 ( -1.738 5.801 4.378) 7.473 2.886 ( -0.463 10.248 -8.420) 13.271 2.886 ( -0.463 10.248 8.420) 13.271 3.059 ( -0.793 -4.351 -4.034) 5.986 3.059 ( -0.793 -4.351 4.034) 5.986 3.514 ( 4.094 -6.143 -7.196) 10.309 3.514 ( 4.094 -6.143 7.196) 10.309 3.626 ( 1.640 -2.132 -8.067) 8.504 3.626 ( 1.640 -2.132 8.067) 8.504 3.719 ( -1.047 -0.701 -5.365) 5.511 3.719 ( -1.047 -0.701 5.365) 5.511 4.474 ( 1.952 3.093 -4.366) 5.695 4.474 ( 1.952 3.093 4.366) 5.695 4.613 ( -1.801 2.560 -1.449) 3.449 4.613 ( -1.801 2.560 1.449) 3.449 5.016 ( -0.931 3.370 -11.003) 11.545 5.016 ( -0.931 3.370 11.003) 11.545 5.949 ( -0.271 2.487 -3.212) 4.071 5.949 ( -0.271 2.487 3.212) 4.071 6.964 ( 0.587 4.557 -5.868) 7.453 6.964 ( 0.587 4.557 5.868) 7.453 7.124 ( -0.494 -1.240 -6.269) 6.409 7.124 ( -0.494 -1.240 6.269) 6.409 7.530 ( 0.194 1.481 -14.672) 14.747 7.530 ( 0.194 1.481 14.672) 14.747 8.342 ( 0.018 2.078 -20.905) 21.009 8.342 ( 0.018 2.078 20.905) 21.009 8.524 ( -2.372 6.207 -9.587) 11.664 8.524 ( -2.372 6.207 9.587) 11.664 8.568 ( -0.180 1.373 -14.625) 14.690 8.568 ( -0.180 1.373 14.625) 14.690 8.921 ( -4.144 -5.636 -12.698) 14.497 8.921 ( -4.144 -5.636 12.698) 14.497 9.942 ( -1.561 -7.413 -8.458) 11.354 9.942 ( -1.561 -7.413 8.458) 11.354 11.020 ( 6.027 -9.073 -2.649) 11.210 11.020 ( 6.027 -9.073 2.649) 11.210 11.118 ( -0.156 -5.963 -3.079) 6.713 11.118 ( -0.156 -5.963 3.079) 6.713 11.703 ( -1.785 -4.823 -7.013) 8.696 11.703 ( -1.785 -4.823 7.013) 8.696 12.065 ( 4.999 1.301 -10.108) 11.352 12.065 ( 4.999 1.301 10.108) 11.352 12.297 ( -0.549 -1.476 -13.571) 13.662 12.297 ( -0.549 -1.476 13.571) 13.662 12.736 ( 2.585 1.475 -16.754) 17.016 12.736 ( 2.585 1.475 16.754) 17.016 15.088 ( -1.675 5.064 -11.054) 12.273 15.088 ( -1.675 5.064 11.054) 12.273 15.484 ( -2.754 3.563 -14.306) 14.998 15.484 ( -2.754 3.563 14.306) 14.998 16.543 ( 2.621 2.325 -1.095) 3.671 16.543 ( 2.621 2.325 1.095) 3.671 16.776 ( -2.360 2.000 -2.602) 4.042 16.776 ( -2.360 2.000 2.602) 4.042 18.439 ( -0.887 1.768 -1.541) 2.507 18.439 ( -0.887 1.768 1.541) 2.507 19.239 ( 2.974 -3.629 -3.804) 6.040 19.239 ( 2.974 -3.629 3.804) 6.040 19.569 ( -0.927 -3.903 -6.127) 7.324 19.569 ( -0.927 -3.903 6.127) 7.324 19.829 ( -0.305 -3.239 -0.968) 3.395 19.829 ( -0.305 -3.239 0.968) 3.395 20.775 ( -0.040 -1.162 -2.357) 2.628 20.775 ( -0.040 -1.162 2.357) 2.628 21.390 ( -0.207 4.121 -6.557) 7.747 21.390 ( -0.207 4.121 6.557) 7.747 24.580 ( -0.034 0.068 -0.265) 0.276 24.580 ( -0.034 0.068 0.265) 0.276 25.681 ( 4.127 4.617 -6.102) 8.694 25.681 ( 4.127 4.617 6.102) 8.694 25.911 ( -5.339 2.511 -6.157) 8.527 25.911 ( -5.339 2.511 6.157) 8.527 27.222 ( 0.896 -1.703 -11.459) 11.619 27.222 ( 0.896 -1.703 11.459) 11.619 27.477 ( -0.922 0.252 -7.798) 7.856 27.477 ( -0.922 0.252 7.798) 7.856 29.589 ( 0.992 1.394 -3.170) 3.602 29.589 ( 0.992 1.394 3.170) 3.602 29.849 ( -0.240 1.348 -9.268) 9.369 29.849 ( -0.240 1.348 9.268) 9.369 30.462 ( -1.066 -0.190 -7.853) 7.927 30.462 ( -1.066 -0.190 7.853) 7.927 31.527 ( -0.572 6.793 -3.031) 7.460 31.527 ( -0.572 6.793 3.031) 7.460 32.250 ( -5.558 13.172 -17.408) 22.526 32.250 ( -5.558 13.172 17.408) 22.526 33.278 ( 9.079 -33.537 -28.518) 44.949 33.278 ( 9.079 -33.537 28.518) 44.949 ======================= Grid point 301 (87/100) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -1.325 8.848 -10.030) 13.441 2.314 ( -1.325 8.848 10.030) 13.441 2.602 ( -2.617 17.569 -16.662) 24.355 2.602 ( -2.617 17.569 16.662) 24.355 3.221 ( 1.199 -12.288 -3.296) 12.779 3.221 ( 1.199 -12.288 3.296) 12.779 3.649 ( 2.384 -1.569 -6.281) 6.899 3.649 ( 2.384 -1.569 6.281) 6.899 3.663 ( 2.053 -1.781 -9.742) 10.114 3.663 ( 2.053 -1.781 9.742) 10.114 3.793 ( -0.489 -10.089 -4.651) 11.120 3.793 ( -0.489 -10.089 4.651) 11.120 4.386 ( 0.207 8.085 -12.530) 14.914 4.386 ( 0.207 8.085 12.530) 14.914 4.530 ( -1.886 4.814 -1.848) 5.491 4.530 ( -1.886 4.814 1.848) 5.491 4.935 ( -0.808 4.951 -11.266) 12.332 4.935 ( -0.808 4.951 11.266) 12.332 5.913 ( -0.532 0.811 -1.447) 1.742 5.913 ( -0.532 0.811 1.447) 1.742 6.893 ( 3.475 5.566 -6.715) 9.389 6.893 ( 3.475 5.566 6.715) 9.389 7.080 ( -5.000 4.851 -3.817) 7.943 7.080 ( -5.000 4.851 3.817) 7.943 7.467 ( -0.109 4.791 -20.401) 20.957 7.467 ( -0.109 4.791 20.401) 20.957 8.273 ( -0.043 5.463 -26.086) 26.652 8.273 ( -0.043 5.463 26.086) 26.652 8.414 ( -2.457 2.253 -4.726) 5.783 8.414 ( -2.457 2.253 4.726) 5.783 8.571 ( 0.032 -2.430 -15.401) 15.592 8.571 ( 0.032 -2.430 15.401) 15.592 8.942 ( -1.077 1.419 -17.003) 17.096 8.942 ( -1.077 1.419 17.003) 17.096 10.198 ( 0.808 -23.331 -5.624) 24.013 10.198 ( 0.808 -23.331 5.624) 24.013 11.227 ( 1.461 -8.633 -5.096) 10.131 11.227 ( 1.461 -8.633 5.096) 10.131 11.345 ( 3.442 -18.330 -2.788) 18.858 11.345 ( 3.442 -18.330 2.788) 18.858 11.761 ( -1.246 -3.444 -8.229) 9.007 11.761 ( -1.246 -3.444 8.229) 9.007 12.095 ( 6.613 1.754 -11.855) 13.688 12.095 ( 6.613 1.754 11.855) 13.688 12.296 ( -1.987 0.369 -17.383) 17.500 12.296 ( -1.987 0.369 17.383) 17.500 12.714 ( 1.447 3.949 -14.717) 15.306 12.714 ( 1.447 3.949 14.717) 15.306 14.963 ( -2.235 6.602 -9.576) 11.844 14.963 ( -2.235 6.602 9.576) 11.844 15.349 ( -2.224 9.237 -12.664) 15.832 15.349 ( -2.224 9.237 12.664) 15.832 16.510 ( 1.699 4.104 -1.228) 4.608 16.510 ( 1.699 4.104 1.228) 4.608 16.710 ( -2.677 2.270 -3.298) 4.816 16.710 ( -2.677 2.270 3.298) 4.816 18.388 ( -0.824 3.009 -2.336) 3.898 18.388 ( -0.824 3.009 2.336) 3.898 19.364 ( 2.263 -7.251 -7.676) 10.799 19.364 ( 2.263 -7.251 7.676) 10.799 19.638 ( 0.469 -4.168 -11.098) 11.864 19.638 ( 0.469 -4.168 11.098) 11.864 19.904 ( 0.469 -5.055 -0.695) 5.124 19.904 ( 0.469 -5.055 0.695) 5.124 20.823 ( 0.042 -4.623 -1.702) 4.927 20.823 ( 0.042 -4.623 1.702) 4.927 21.278 ( -0.705 7.939 -7.363) 10.851 21.278 ( -0.705 7.939 7.363) 10.851 24.579 ( -0.037 0.022 -0.533) 0.535 24.579 ( -0.037 0.022 0.533) 0.535 25.622 ( 6.172 7.661 -5.355) 11.201 25.622 ( 6.172 7.661 5.355) 11.201 25.771 ( -8.176 6.031 -5.867) 11.732 25.771 ( -8.176 6.031 5.867) 11.732 27.264 ( 0.928 -1.473 -9.095) 9.261 27.264 ( 0.928 -1.473 9.095) 9.261 27.457 ( -1.068 0.916 -5.772) 5.940 27.457 ( -1.068 0.916 5.772) 5.940 29.573 ( -0.631 0.709 -1.548) 1.816 29.573 ( -0.631 0.709 1.548) 1.816 29.833 ( 0.244 0.301 -9.298) 9.306 29.833 ( 0.244 0.301 9.298) 9.306 30.431 ( -0.269 2.837 -7.463) 7.988 30.431 ( -0.269 2.837 7.463) 7.988 31.377 ( -1.736 8.701 -3.434) 9.514 31.377 ( -1.736 8.701 3.434) 9.514 32.017 ( -1.953 9.802 -12.489) 15.996 32.017 ( -1.953 9.802 12.489) 15.996 34.043 ( 8.296 -44.165 -30.199) 54.142 34.043 ( 8.296 -44.165 30.199) 54.142 ======================= Grid point 303 (88/100) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -0.000 8.360 -16.168) 18.202 2.155 ( -0.000 8.360 16.168) 18.202 2.307 ( -0.000 13.908 -21.986) 26.016 2.307 ( -0.000 13.908 21.986) 26.016 3.458 ( 0.000 -13.478 -2.435) 13.696 3.458 ( 0.000 -13.478 2.435) 13.696 3.662 ( 0.000 -0.521 -4.400) 4.430 3.662 ( 0.000 -0.521 4.400) 4.430 3.716 ( 0.000 -2.760 -8.508) 8.944 3.716 ( 0.000 -2.760 8.508) 8.944 3.963 ( 0.000 -5.642 -18.026) 18.888 3.963 ( 0.000 -5.642 18.026) 18.888 4.266 ( -0.000 2.566 -12.992) 13.243 4.266 ( -0.000 2.566 12.992) 13.243 4.410 ( -0.000 7.756 -1.802) 7.962 4.410 ( -0.000 7.756 1.802) 7.962 4.828 ( -0.000 7.085 -7.526) 10.336 4.828 ( -0.000 7.085 7.526) 10.336 5.917 ( 0.000 -1.523 -0.127) 1.529 5.917 ( 0.000 -1.523 0.127) 1.529 6.849 ( -0.000 14.781 -0.391) 14.786 6.849 ( -0.000 14.781 0.391) 14.786 6.850 ( -0.000 3.744 -9.878) 10.564 6.850 ( -0.000 3.744 9.878) 10.564 7.401 ( -0.000 2.792 -22.796) 22.966 7.401 ( -0.000 2.792 22.796) 22.966 8.178 ( -0.000 5.373 -22.447) 23.081 8.178 ( -0.000 5.373 22.447) 23.081 8.410 ( 0.000 -2.924 -6.241) 6.892 8.410 ( 0.000 -2.924 6.241) 6.892 8.642 ( 0.000 -5.104 -8.806) 10.178 8.642 ( 0.000 -5.104 8.806) 10.178 8.867 ( -0.000 5.730 -12.943) 14.155 8.867 ( -0.000 5.730 12.943) 14.155 10.710 ( 0.000 -33.320 -4.621) 33.639 10.710 ( 0.000 -33.320 4.621) 33.639 11.376 ( 0.000 -7.322 -5.828) 9.358 11.376 ( 0.000 -7.322 5.828) 9.358 11.703 ( 0.000 -19.378 -11.753) 22.663 11.703 ( 0.000 -19.378 11.753) 22.663 11.797 ( 0.000 -1.651 -8.533) 8.692 11.797 ( 0.000 -1.651 8.533) 8.692 12.122 ( -0.000 0.421 -8.252) 8.263 12.122 ( -0.000 0.421 8.252) 8.263 12.254 ( -0.000 2.212 -22.955) 23.062 12.254 ( -0.000 2.212 22.955) 23.062 12.622 ( -0.000 6.959 -9.818) 12.034 12.622 ( -0.000 6.959 9.818) 12.034 14.839 ( -0.000 5.909 -7.293) 9.386 14.839 ( -0.000 5.909 7.293) 9.386 15.133 ( -0.000 14.019 -14.876) 20.441 15.133 ( -0.000 14.019 14.876) 20.441 16.438 ( -0.000 4.893 -1.257) 5.052 16.438 ( -0.000 4.893 1.257) 5.052 16.661 ( -0.000 1.599 -2.692) 3.131 16.661 ( -0.000 1.599 2.692) 3.131 18.328 ( -0.000 3.222 -3.128) 4.490 18.328 ( -0.000 3.222 3.128) 4.490 19.507 ( 0.000 -7.296 -14.693) 16.405 19.507 ( 0.000 -7.296 14.693) 16.405 19.709 ( 0.000 -3.312 -14.741) 15.108 19.709 ( 0.000 -3.312 14.741) 15.108 19.997 ( 0.000 -4.952 -0.335) 4.964 19.997 ( 0.000 -4.952 0.335) 4.964 20.931 ( 0.000 -6.958 -1.122) 7.048 20.931 ( 0.000 -6.958 1.122) 7.048 21.130 ( -0.000 7.374 -6.293) 9.694 21.130 ( -0.000 7.374 6.293) 9.694 24.579 ( 0.000 -0.034 -0.568) 0.569 24.579 ( 0.000 -0.034 0.568) 0.569 25.499 ( -0.000 13.632 -9.537) 16.637 25.499 ( -0.000 13.632 9.537) 16.637 25.606 ( -0.000 4.084 -2.996) 5.065 25.606 ( -0.000 4.084 2.996) 5.065 27.275 ( -0.000 0.930 -4.873) 4.961 27.275 ( -0.000 0.930 4.873) 4.961 27.430 ( -0.000 1.262 -3.505) 3.725 27.430 ( -0.000 1.262 3.505) 3.725 29.565 ( 0.000 -0.508 -2.346) 2.400 29.565 ( 0.000 -0.508 2.346) 2.400 29.839 ( 0.000 -0.567 -9.520) 9.537 29.839 ( 0.000 -0.567 9.520) 9.537 30.370 ( -0.000 3.690 -5.960) 7.010 30.370 ( -0.000 3.690 5.960) 7.010 31.216 ( -0.000 8.526 -2.365) 8.848 31.216 ( -0.000 8.526 2.365) 8.848 31.867 ( -0.000 6.715 -8.080) 10.506 31.867 ( -0.000 6.715 8.080) 10.506 34.888 ( 0.000 -46.475 -23.602) 52.124 34.888 ( 0.000 -46.475 23.602) 52.124 ======================= Grid point 309 (89/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 10.261 0.000 -4.402) 11.165 2.244 ( 10.261 0.000 4.402) 11.165 2.324 ( 13.543 0.000 -2.076) 13.701 2.324 ( 13.543 0.000 2.076) 13.701 3.525 ( -9.124 -0.000 -6.888) 11.432 3.525 ( -9.124 -0.000 6.888) 11.432 3.617 ( -8.075 -0.000 -7.382) 10.941 3.617 ( -8.075 -0.000 7.382) 10.941 3.702 ( 0.599 0.000 -11.572) 11.587 3.702 ( 0.599 0.000 11.572) 11.587 3.883 ( -6.984 -0.000 -5.182) 8.696 3.883 ( -6.984 -0.000 5.182) 8.696 4.223 ( 8.934 0.000 -27.400) 28.819 4.223 ( 8.934 0.000 27.400) 28.819 4.621 ( 2.266 0.000 -0.770) 2.393 4.621 ( 2.266 0.000 0.770) 2.393 4.699 ( 7.031 0.000 -4.538) 8.368 4.699 ( 7.031 0.000 4.538) 8.368 5.944 ( -0.514 -0.000 -10.336) 10.348 5.944 ( -0.514 -0.000 10.336) 10.348 6.676 ( 8.410 0.000 -2.447) 8.759 6.676 ( 8.410 0.000 2.447) 8.759 7.011 ( 3.361 0.000 -7.105) 7.860 7.011 ( 3.361 0.000 7.105) 7.860 7.440 ( 2.415 0.000 -12.450) 12.682 7.440 ( 2.415 0.000 12.450) 12.682 8.104 ( 4.524 0.000 -19.810) 20.320 8.104 ( 4.524 0.000 19.810) 20.320 8.516 ( -3.727 -0.000 -13.830) 14.323 8.516 ( -3.727 -0.000 13.830) 14.323 8.706 ( 4.154 0.000 -8.812) 9.742 8.706 ( 4.154 0.000 8.812) 9.742 8.845 ( 1.217 0.000 -7.447) 7.546 8.845 ( 1.217 0.000 7.447) 7.546 10.663 ( -32.839 -0.000 -0.200) 32.839 10.663 ( -32.839 -0.000 0.200) 32.839 11.327 ( -5.651 -0.000 -0.362) 5.662 11.327 ( -5.651 -0.000 0.362) 5.662 11.603 ( -19.510 -0.000 -8.981) 21.478 11.603 ( -19.510 -0.000 8.981) 21.478 11.724 ( -2.441 -0.000 -8.478) 8.822 11.724 ( -2.441 -0.000 8.478) 8.822 12.057 ( 2.024 0.000 -19.168) 19.275 12.057 ( 2.024 0.000 19.168) 19.275 12.267 ( 3.443 0.000 -20.297) 20.587 12.267 ( 3.443 0.000 20.297) 20.587 12.711 ( 7.430 0.000 -21.017) 22.292 12.711 ( 7.430 0.000 21.017) 22.292 14.875 ( 5.507 0.000 -21.844) 22.528 14.875 ( 5.507 0.000 21.844) 22.528 15.120 ( 10.384 0.000 -7.424) 12.765 15.120 ( 10.384 0.000 7.424) 12.765 16.367 ( 1.412 0.000 -0.857) 1.652 16.367 ( 1.412 0.000 0.857) 1.652 16.807 ( 5.233 0.000 -0.723) 5.282 16.807 ( 5.233 0.000 0.723) 5.282 18.353 ( 3.566 0.000 -4.227) 5.530 18.353 ( 3.566 0.000 4.227) 5.530 19.527 ( -8.997 -0.000 -10.368) 13.728 19.527 ( -8.997 -0.000 10.368) 13.728 19.585 ( -2.072 -0.000 -21.252) 21.353 19.585 ( -2.072 -0.000 21.252) 21.353 19.980 ( -5.031 -0.000 -0.635) 5.071 19.980 ( -5.031 -0.000 0.635) 5.071 20.926 ( -2.459 -0.000 -2.174) 3.282 20.926 ( -2.459 -0.000 2.174) 3.282 21.158 ( 4.217 0.000 -9.403) 10.305 21.158 ( 4.217 0.000 9.403) 10.305 24.583 ( 0.063 0.000 -0.151) 0.163 24.583 ( 0.063 0.000 0.151) 0.163 25.235 ( 4.490 0.000 -4.527) 6.376 25.235 ( 4.490 0.000 4.527) 6.376 25.874 ( 8.785 0.000 -12.427) 15.219 25.874 ( 8.785 0.000 12.427) 15.219 27.266 ( 1.889 0.000 -1.272) 2.277 27.266 ( 1.889 0.000 1.272) 2.277 27.502 ( 1.683 0.000 -10.524) 10.658 27.502 ( 1.683 0.000 10.524) 10.658 29.625 ( -0.420 -0.000 -11.119) 11.127 29.625 ( -0.420 -0.000 11.119) 11.127 29.826 ( 2.959 0.000 -6.555) 7.192 29.826 ( 2.959 0.000 6.555) 7.192 30.394 ( 2.998 0.000 -0.657) 3.070 30.394 ( 2.998 0.000 0.657) 3.070 31.262 ( 9.186 0.000 -0.130) 9.187 31.262 ( 9.186 0.000 0.130) 9.187 31.848 ( 5.367 0.000 -3.893) 6.630 31.848 ( 5.367 0.000 3.893) 6.630 34.656 ( -46.647 -0.000 -26.390) 53.595 34.656 ( -46.647 -0.000 26.390) 53.595 ======================= Grid point 311 (90/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 10.555 -0.708 -11.779) 15.832 2.352 ( 10.555 -0.708 11.779) 15.832 2.525 ( 14.441 -5.945 -12.511) 20.010 2.525 ( 14.441 -5.945 12.511) 20.010 3.379 ( -8.270 6.369 -4.054) 11.198 3.379 ( -8.270 6.369 4.054) 11.198 3.516 ( -9.275 0.867 -0.376) 9.323 3.516 ( -9.275 0.867 0.376) 9.323 3.664 ( -0.521 3.773 -5.702) 6.857 3.664 ( -0.521 3.773 5.702) 6.857 3.838 ( -4.096 -1.120 -2.489) 4.922 3.838 ( -4.096 -1.120 2.489) 4.922 4.342 ( 8.490 -2.831 -18.864) 20.880 4.342 ( 8.490 -2.831 18.864) 20.880 4.614 ( 2.735 1.814 -0.995) 3.430 4.614 ( 2.735 1.814 0.995) 3.430 4.835 ( 4.961 -6.289 -5.306) 9.608 4.835 ( 4.961 -6.289 5.306) 9.608 5.951 ( 0.756 -0.997 -12.506) 12.569 5.951 ( 0.756 -0.997 12.506) 12.569 6.773 ( 6.885 -2.384 -1.673) 7.476 6.773 ( 6.885 -2.384 1.673) 7.476 7.076 ( 0.182 -4.442 -5.602) 7.152 7.076 ( 0.182 -4.442 5.602) 7.152 7.440 ( 0.700 1.689 -11.774) 11.915 7.440 ( 0.700 1.689 11.774) 11.915 8.186 ( 4.797 -3.462 -19.429) 20.310 8.186 ( 4.797 -3.462 19.429) 20.310 8.479 ( -1.388 0.140 -10.028) 10.125 8.479 ( -1.388 0.140 10.028) 10.125 8.746 ( 2.917 1.462 -11.910) 12.349 8.746 ( 2.917 1.462 11.910) 12.349 8.850 ( 0.475 -0.835 -9.758) 9.805 8.850 ( 0.475 -0.835 9.758) 9.805 10.291 ( -25.792 6.862 -4.082) 27.000 10.291 ( -25.792 6.862 4.082) 27.000 11.248 ( -6.837 2.505 -3.525) 8.090 11.248 ( -6.837 2.505 3.525) 8.090 11.423 ( -14.584 -0.099 -5.182) 15.478 11.423 ( -14.584 -0.099 5.182) 15.478 11.701 ( -3.821 0.740 -9.268) 10.052 11.701 ( -3.821 0.740 9.268) 10.052 12.080 ( 1.946 1.312 -15.233) 15.413 12.080 ( 1.946 1.312 15.233) 15.413 12.204 ( 4.618 7.539 -15.488) 17.833 12.204 ( 4.618 7.539 15.488) 17.833 12.779 ( 5.158 0.307 -22.394) 22.982 12.779 ( 5.158 0.307 22.394) 22.982 14.980 ( 6.019 -4.781 -16.381) 18.095 14.980 ( 6.019 -4.781 16.381) 18.095 15.247 ( 6.412 -4.275 -8.489) 11.465 15.247 ( 6.412 -4.275 8.489) 11.465 16.404 ( 1.039 -2.667 -1.848) 3.407 16.404 ( 1.039 -2.667 1.848) 3.407 16.846 ( 4.219 0.943 -1.170) 4.479 16.846 ( 4.219 0.943 1.170) 4.479 18.396 ( 2.955 -0.942 -4.143) 5.175 18.396 ( 2.955 -0.942 4.143) 5.175 19.428 ( -7.172 1.648 -6.723) 9.968 19.428 ( -7.172 1.648 6.723) 9.968 19.539 ( -3.045 2.411 -14.391) 14.906 19.539 ( -3.045 2.411 14.391) 14.906 19.914 ( -4.992 1.609 -0.539) 5.272 19.914 ( -4.992 1.609 0.539) 5.272 20.904 ( -1.097 0.690 -2.580) 2.887 20.904 ( -1.097 0.690 2.580) 2.887 21.219 ( 4.932 -1.962 -10.112) 11.421 21.219 ( 4.932 -1.962 10.112) 11.421 24.583 ( 0.063 0.013 -0.397) 0.402 24.583 ( 0.063 0.013 0.397) 0.402 25.326 ( 4.308 -4.964 -2.859) 7.168 25.326 ( 4.308 -4.964 2.859) 7.168 25.955 ( 5.505 -0.770 -13.141) 14.269 25.955 ( 5.505 -0.770 13.141) 14.269 27.280 ( 1.676 0.731 -0.444) 1.882 27.280 ( 1.676 0.731 0.444) 1.882 27.504 ( -0.496 0.564 -13.485) 13.506 27.504 ( -0.496 0.564 13.485) 13.506 29.644 ( -0.631 -3.013 -9.821) 10.292 29.644 ( -0.631 -3.013 9.821) 10.292 29.859 ( 4.868 1.021 -6.628) 8.286 29.859 ( 4.868 1.021 6.628) 8.286 30.394 ( 1.601 2.615 -0.720) 3.150 30.394 ( 1.601 2.615 0.720) 3.150 31.401 ( 9.023 -5.059 -0.591) 10.361 31.401 ( 9.023 -5.059 0.591) 10.361 31.936 ( 6.852 -3.109 -6.180) 9.737 31.936 ( 6.852 -3.109 6.180) 9.737 34.068 ( -41.554 14.794 -30.331) 53.531 34.068 ( -41.554 14.794 30.331) 53.531 ======================= Grid point 313 (91/100) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 7.814 -1.455 -8.359) 11.535 2.467 ( 7.814 -1.455 8.359) 11.535 2.767 ( 9.773 -6.663 -7.396) 13.950 2.767 ( 9.773 -6.663 7.396) 13.950 3.194 ( -3.861 6.558 -3.773) 8.494 3.194 ( -3.861 6.558 3.773) 8.494 3.422 ( -6.170 0.472 -5.183) 8.072 3.422 ( -6.170 0.472 5.183) 8.072 3.594 ( -1.542 2.621 -1.374) 3.337 3.594 ( -1.542 2.621 1.374) 3.337 3.826 ( -1.224 -0.085 -4.108) 4.288 3.826 ( -1.224 -0.085 4.108) 4.288 4.456 ( 5.613 -1.594 -8.307) 10.151 4.456 ( 5.613 -1.594 8.307) 10.151 4.617 ( 1.311 0.220 -1.401) 1.932 4.617 ( 1.311 0.220 1.401) 1.932 4.981 ( 3.618 -5.190 -4.189) 7.587 4.981 ( 3.618 -5.190 4.189) 7.587 5.990 ( 1.834 -1.583 -12.465) 12.698 5.990 ( 1.834 -1.583 12.465) 12.698 6.895 ( 5.931 -4.023 -2.649) 7.640 6.895 ( 5.931 -4.023 2.649) 7.640 7.130 ( -2.710 -2.876 -2.566) 4.712 7.130 ( -2.710 -2.876 2.566) 4.712 7.415 ( -0.236 0.694 -16.916) 16.932 7.415 ( -0.236 0.694 16.916) 16.932 8.288 ( 1.691 -4.260 -17.718) 18.301 8.288 ( 1.691 -4.260 17.718) 18.301 8.501 ( 1.249 -2.340 -8.339) 8.751 8.501 ( 1.249 -2.340 8.339) 8.751 8.697 ( 1.662 5.571 -10.468) 11.974 8.697 ( 1.662 5.571 10.468) 11.974 8.884 ( -1.991 -2.384 -11.565) 11.974 8.884 ( -1.991 -2.384 11.565) 11.974 9.979 ( -15.209 4.660 -6.251) 17.091 9.979 ( -15.209 4.660 6.251) 17.091 11.106 ( -8.305 4.074 -5.816) 10.927 11.106 ( -8.305 4.074 5.816) 10.927 11.330 ( -2.799 2.300 -2.692) 4.514 11.330 ( -2.799 2.300 2.692) 4.514 11.591 ( -5.463 5.523 -10.730) 13.247 11.591 ( -5.463 5.523 10.730) 13.247 12.047 ( 4.337 3.510 -11.679) 12.943 12.047 ( 4.337 3.510 11.679) 12.943 12.190 ( 0.590 -1.121 -10.568) 10.643 12.190 ( 0.590 -1.121 10.568) 10.643 12.796 ( 3.091 2.112 -24.282) 24.569 12.796 ( 3.091 2.112 24.282) 24.569 15.123 ( 6.270 -3.715 -5.261) 8.989 15.123 ( 6.270 -3.715 5.261) 8.989 15.371 ( 0.706 -5.658 -7.465) 9.394 15.371 ( 0.706 -5.658 7.465) 9.394 16.470 ( 1.164 -3.511 -2.931) 4.719 16.470 ( 1.164 -3.511 2.931) 4.719 16.859 ( 2.913 1.726 -2.184) 4.030 16.859 ( 2.913 1.726 2.184) 4.030 18.436 ( 1.544 -0.966 -3.568) 4.006 18.436 ( 1.544 -0.966 3.568) 4.006 19.336 ( -2.404 3.458 -2.491) 4.893 19.336 ( -2.404 3.458 2.491) 4.893 19.466 ( -4.657 0.856 -6.497) 8.039 19.466 ( -4.657 0.856 6.497) 8.039 19.837 ( -4.076 1.827 -0.370) 4.482 19.837 ( -4.076 1.827 0.370) 4.482 20.873 ( 0.235 2.567 -1.979) 3.250 20.873 ( 0.235 2.567 1.979) 3.250 21.315 ( 3.537 -3.826 -8.767) 10.198 21.315 ( 3.537 -3.826 8.767) 10.198 24.583 ( 0.062 0.021 -0.603) 0.606 24.583 ( 0.062 0.021 0.603) 0.606 25.477 ( 4.123 -7.300 -2.381) 8.715 25.477 ( 4.123 -7.300 2.381) 8.715 25.999 ( 1.759 0.129 -11.739) 11.870 25.999 ( 1.759 0.129 11.739) 11.870 27.266 ( 0.804 2.359 -2.311) 3.399 27.266 ( 0.804 2.359 2.311) 3.399 27.483 ( -1.440 0.298 -14.571) 14.645 27.483 ( -1.440 0.298 14.571) 14.645 29.696 ( 0.486 -1.997 -8.170) 8.425 29.696 ( 0.486 -1.997 8.170) 8.425 29.883 ( 4.703 1.617 -7.532) 9.026 29.883 ( 4.703 1.617 7.532) 9.026 30.357 ( -1.114 1.095 -3.027) 3.407 30.357 ( -1.114 1.095 3.027) 3.407 31.581 ( 8.173 -4.736 -0.867) 9.486 31.581 ( 8.173 -4.736 0.867) 9.486 32.092 ( 7.194 -7.291 -9.764) 14.151 32.092 ( 7.194 -7.291 9.764) 14.151 33.409 ( -30.489 18.630 -29.975) 46.638 33.409 ( -30.489 18.630 29.975) 46.638 ======================= Grid point 315 (92/100) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 2.309 0.014 -3.736) 4.392 2.533 ( 2.309 0.014 3.736) 4.392 2.902 ( 2.520 -2.387 -2.350) 4.192 2.902 ( 2.520 -2.387 2.350) 4.192 3.106 ( -0.852 1.729 -1.443) 2.408 3.106 ( -0.852 1.729 1.443) 2.408 3.408 ( 1.257 -1.452 -5.623) 5.942 3.408 ( 1.257 -1.452 5.623) 5.942 3.556 ( -0.987 -0.038 -3.576) 3.710 3.556 ( -0.987 -0.038 3.576) 3.710 3.804 ( -0.037 2.149 -4.430) 4.924 3.804 ( -0.037 2.149 4.430) 4.924 4.507 ( 3.473 0.263 -2.246) 4.145 4.507 ( 3.473 0.263 2.246) 4.145 4.629 ( -0.482 -0.763 -1.976) 2.173 4.629 ( -0.482 -0.763 1.976) 2.173 5.068 ( 1.881 -1.354 -3.061) 3.839 5.068 ( 1.881 -1.354 3.061) 3.839 6.022 ( 1.447 0.308 -10.855) 10.955 6.022 ( 1.447 0.308 10.855) 10.955 7.002 ( 3.744 -1.938 -1.405) 4.444 7.002 ( 3.744 -1.938 1.405) 4.444 7.128 ( -1.579 0.097 -3.533) 3.871 7.128 ( -1.579 0.097 3.533) 3.871 7.435 ( -0.769 -3.706 -21.518) 21.848 7.435 ( -0.769 -3.706 21.518) 21.848 8.373 ( 2.660 -3.012 -16.046) 16.541 8.373 ( 2.660 -3.012 16.046) 16.541 8.534 ( -1.616 -1.009 -19.168) 19.262 8.534 ( -1.616 -1.009 19.168) 19.262 8.638 ( 0.935 1.935 -12.579) 12.761 8.638 ( 0.935 1.935 12.579) 12.761 8.855 ( -5.348 1.751 -8.942) 10.565 8.855 ( -5.348 1.751 8.942) 10.565 9.847 ( -5.937 -0.992 -7.357) 9.506 9.847 ( -5.937 -0.992 7.357) 9.506 10.987 ( -3.625 1.988 -6.238) 7.484 10.987 ( -3.625 1.988 6.238) 7.484 11.209 ( 2.790 11.904 -7.503) 14.345 11.209 ( 2.790 11.904 7.503) 14.345 11.515 ( -5.489 -4.344 -6.719) 9.703 11.515 ( -5.489 -4.344 6.719) 9.703 12.064 ( 3.931 -0.066 -9.663) 10.432 12.064 ( 3.931 -0.066 9.663) 10.432 12.216 ( -1.502 -2.354 -9.685) 10.080 12.216 ( -1.502 -2.354 9.685) 10.080 12.786 ( 2.529 1.959 -26.496) 26.689 12.786 ( 2.529 1.959 26.496) 26.689 15.201 ( 4.096 1.086 -11.668) 12.414 15.201 ( 4.096 1.086 11.668) 12.414 15.452 ( -2.407 -4.770 -12.207) 13.325 15.452 ( -2.407 -4.770 12.207) 13.325 16.540 ( 1.700 -2.715 -3.486) 4.734 16.540 ( 1.700 -2.715 3.486) 4.734 16.844 ( 1.129 2.302 -3.180) 4.085 16.844 ( 1.129 2.302 3.180) 4.085 18.457 ( 0.278 -0.426 -2.612) 2.661 18.457 ( 0.278 -0.426 2.612) 2.661 19.267 ( 1.746 3.983 -0.314) 4.360 19.267 ( 1.746 3.983 0.314) 4.360 19.435 ( -4.757 -2.935 -1.140) 5.705 19.435 ( -4.757 -2.935 1.140) 5.705 19.782 ( -2.599 0.426 -0.514) 2.683 19.782 ( -2.599 0.426 0.514) 2.683 20.824 ( 0.347 3.153 -2.442) 4.003 20.824 ( 0.347 3.153 2.442) 4.003 21.401 ( 1.761 -2.742 -7.390) 8.076 21.401 ( 1.761 -2.742 7.390) 8.076 24.583 ( 0.036 0.062 -0.532) 0.537 24.583 ( 0.036 0.062 0.532) 0.537 25.642 ( 4.250 -6.506 -6.630) 10.215 25.642 ( 4.250 -6.506 6.630) 10.215 25.981 ( -1.636 2.005 -9.772) 10.109 25.981 ( -1.636 2.005 9.772) 10.109 27.227 ( 0.260 2.243 -6.085) 6.491 27.227 ( 0.260 2.243 6.085) 6.491 27.472 ( -1.054 -0.366 -12.759) 12.808 27.472 ( -1.054 -0.366 12.759) 12.808 29.697 ( 1.809 2.898 -6.124) 7.012 29.697 ( 1.809 2.898 6.124) 7.012 29.897 ( 2.647 1.365 -9.053) 9.530 29.897 ( 2.647 1.365 9.053) 9.530 30.355 ( -2.631 -3.255 -5.703) 7.074 30.355 ( -2.631 -3.255 5.703) 7.074 31.687 ( 5.644 1.065 -0.346) 5.754 31.687 ( 5.644 1.065 0.346) 5.754 32.344 ( 6.964 -13.662 -14.960) 21.423 32.344 ( 6.964 -13.662 14.960) 21.423 32.869 ( -18.636 14.755 -24.958) 34.466 32.869 ( -18.636 14.755 24.958) 34.466 ======================= Grid point 317 (93/100) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -0.411 2.385 -2.327) 3.358 2.519 ( -0.411 2.385 2.327) 3.358 2.948 ( 1.635 -1.881 -3.780) 4.528 2.948 ( 1.635 -1.881 3.780) 4.528 3.063 ( -1.736 3.820 -3.847) 5.692 3.063 ( -1.736 3.820 3.847) 5.692 3.457 ( 1.734 -2.939 -6.958) 7.750 3.457 ( 1.734 -2.939 6.958) 7.750 3.583 ( 0.328 -2.852 -9.498) 9.922 3.583 ( 0.328 -2.852 9.498) 9.922 3.755 ( 0.263 3.408 -8.877) 9.513 3.755 ( 0.263 3.408 8.877) 9.513 4.531 ( 2.818 0.739 -0.275) 2.927 4.531 ( 2.818 0.739 0.275) 2.927 4.622 ( -1.645 0.489 -0.762) 1.878 4.622 ( -1.645 0.489 0.762) 1.878 5.064 ( 0.040 2.524 -11.210) 11.491 5.064 ( 0.040 2.524 11.210) 11.491 6.002 ( 0.472 2.882 -8.474) 8.964 6.002 ( 0.472 2.882 8.474) 8.964 7.020 ( 0.434 1.766 -4.883) 5.210 7.020 ( 0.434 1.766 4.883) 5.210 7.118 ( 0.378 0.204 -5.303) 5.320 7.118 ( 0.378 0.204 5.303) 5.320 7.506 ( -0.177 -3.950 -16.591) 17.056 7.506 ( -0.177 -3.950 16.591) 17.056 8.393 ( 1.779 3.185 -13.186) 13.681 8.393 ( 1.779 3.185 13.186) 13.681 8.576 ( 0.224 -2.720 -22.210) 22.377 8.576 ( 0.224 -2.720 22.210) 22.377 8.612 ( 0.012 2.880 -9.683) 10.102 8.612 ( 0.012 2.880 9.683) 10.102 8.762 ( -6.007 -1.576 -4.152) 7.470 8.762 ( -6.007 -1.576 4.152) 7.470 9.854 ( -1.514 -2.885 -9.296) 9.850 9.854 ( -1.514 -2.885 9.296) 9.850 10.982 ( 1.496 -2.629 -5.514) 6.289 10.982 ( 1.496 -2.629 5.514) 6.289 11.068 ( 0.022 3.824 -6.797) 7.799 11.068 ( 0.022 3.824 6.797) 7.799 11.584 ( -1.904 -6.599 -5.299) 8.674 11.584 ( -1.904 -6.599 5.299) 8.674 12.109 ( 3.345 -0.670 -9.959) 10.527 12.109 ( 3.345 -0.670 9.959) 10.527 12.243 ( -1.915 -2.722 -12.028) 12.480 12.243 ( -1.915 -2.722 12.028) 12.480 12.783 ( 1.979 1.116 -26.570) 26.667 12.783 ( 1.979 1.116 26.570) 26.667 15.169 ( 0.532 4.852 -15.079) 15.849 15.169 ( 0.532 4.852 15.079) 15.849 15.484 ( -1.628 -1.095 -14.269) 14.404 15.484 ( -1.628 -1.095 14.269) 14.404 16.588 ( 1.837 -0.518 -3.186) 3.714 16.588 ( 1.837 -0.518 3.186) 3.714 16.801 ( -0.689 2.939 -3.900) 4.932 16.801 ( -0.689 2.939 3.900) 4.932 18.455 ( -0.257 0.725 -1.656) 1.826 18.455 ( -0.257 0.725 1.656) 1.826 19.242 ( 2.038 0.940 -3.429) 4.098 19.242 ( 2.038 0.940 3.429) 4.098 19.471 ( -2.306 -5.083 -3.697) 6.695 19.471 ( -2.306 -5.083 3.697) 6.695 19.777 ( -0.945 -1.894 -0.806) 2.265 19.777 ( -0.945 -1.894 0.806) 2.265 20.782 ( 0.102 1.745 -2.444) 3.005 20.782 ( 0.102 1.745 2.444) 3.005 21.433 ( 0.471 0.599 -6.572) 6.616 21.433 ( 0.471 0.599 6.572) 6.616 24.582 ( 0.003 0.106 -0.231) 0.254 24.582 ( 0.003 0.106 0.231) 0.254 25.761 ( 4.688 -1.749 -9.397) 10.647 25.761 ( 4.688 -1.749 9.397) 10.647 25.904 ( -4.265 3.297 -7.382) 9.141 25.904 ( -4.265 3.297 7.382) 9.141 27.209 ( 0.259 -0.106 -9.897) 9.901 27.209 ( 0.259 -0.106 9.897) 9.901 27.470 ( -0.544 -0.213 -10.018) 10.035 27.470 ( -0.544 -0.213 10.018) 10.035 29.652 ( 1.388 3.785 -4.689) 6.184 29.652 ( 1.388 3.785 4.689) 6.184 29.879 ( 0.463 2.243 -9.352) 9.629 29.879 ( 0.463 2.243 9.352) 9.629 30.406 ( -1.465 -4.262 -7.220) 8.511 30.406 ( -1.465 -4.262 7.220) 8.511 31.654 ( 1.724 6.578 -1.672) 7.003 31.654 ( 1.724 6.578 1.672) 7.003 32.425 ( -3.448 12.358 -20.304) 24.018 32.425 ( -3.448 12.358 20.304) 24.018 32.819 ( 0.992 -24.830 -23.226) 34.014 32.819 ( 0.992 -24.830 23.226) 34.014 ======================= Grid point 319 (94/100) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -0.000 6.325 -4.560) 7.797 2.442 ( -0.000 6.325 4.560) 7.797 2.883 ( -0.000 14.757 -11.936) 18.980 2.883 ( -0.000 14.757 11.936) 18.980 3.045 ( 0.000 -8.005 -5.310) 9.606 3.045 ( 0.000 -8.005 5.310) 9.606 3.574 ( 0.000 -8.868 -6.350) 10.907 3.574 ( 0.000 -8.868 6.350) 10.907 3.633 ( 0.000 -2.656 -10.304) 10.640 3.633 ( 0.000 -2.656 10.304) 10.640 3.708 ( -0.000 1.584 -10.305) 10.426 3.708 ( -0.000 1.584 10.305) 10.426 4.506 ( -0.000 4.635 -4.759) 6.643 4.506 ( -0.000 4.635 4.759) 6.643 4.585 ( -0.000 2.555 -0.603) 2.625 4.585 ( -0.000 2.555 0.603) 2.625 5.004 ( -0.000 3.848 -14.743) 15.237 5.004 ( -0.000 3.848 14.743) 15.237 5.947 ( -0.000 3.169 -5.002) 5.922 5.947 ( -0.000 3.169 5.002) 5.922 6.978 ( -0.000 3.140 -6.369) 7.101 6.978 ( -0.000 3.140 6.369) 7.101 7.112 ( -0.000 1.159 -7.799) 7.885 7.112 ( -0.000 1.159 7.799) 7.885 7.531 ( -0.000 1.469 -15.262) 15.332 7.531 ( -0.000 1.469 15.262) 15.332 8.345 ( -0.000 3.161 -23.518) 23.730 8.345 ( -0.000 3.161 23.518) 23.730 8.490 ( -0.000 7.401 -6.846) 10.082 8.490 ( -0.000 7.401 6.846) 10.082 8.570 ( -0.000 1.981 -15.494) 15.620 8.570 ( -0.000 1.981 15.494) 15.620 8.871 ( 0.000 -8.739 -15.502) 17.796 8.871 ( 0.000 -8.739 15.502) 17.796 9.925 ( 0.000 -8.321 -8.533) 11.918 9.925 ( 0.000 -8.321 8.533) 11.918 11.092 ( 0.000 -7.506 -5.972) 9.592 11.092 ( 0.000 -7.506 5.972) 9.592 11.112 ( 0.000 -9.606 -3.365) 10.178 11.112 ( 0.000 -9.606 3.365) 10.178 11.679 ( 0.000 -5.323 -6.813) 8.646 11.679 ( 0.000 -5.323 6.813) 8.646 12.139 ( 0.000 -0.218 -10.152) 10.154 12.139 ( 0.000 -0.218 10.152) 10.154 12.270 ( 0.000 -1.605 -16.375) 16.454 12.270 ( 0.000 -1.605 16.375) 16.454 12.773 ( -0.000 1.749 -23.024) 23.091 12.773 ( -0.000 1.749 23.024) 23.091 15.068 ( -0.000 6.539 -13.017) 14.567 15.068 ( -0.000 6.539 13.017) 14.567 15.452 ( -0.000 3.925 -13.716) 14.266 15.452 ( -0.000 3.925 13.716) 14.266 16.582 ( -0.000 2.537 -2.313) 3.434 16.582 ( -0.000 2.537 2.313) 3.434 16.741 ( -0.000 3.006 -4.281) 5.231 16.741 ( -0.000 3.006 4.281) 5.231 18.429 ( -0.000 2.085 -1.518) 2.579 18.429 ( -0.000 2.085 1.518) 2.579 19.277 ( 0.000 -3.836 -5.504) 6.708 19.277 ( 0.000 -3.836 5.504) 6.708 19.553 ( 0.000 -5.419 -8.223) 9.848 19.553 ( 0.000 -5.419 8.223) 9.848 19.825 ( 0.000 -4.055 -0.910) 4.156 19.825 ( 0.000 -4.055 0.910) 4.156 20.775 ( 0.000 -1.060 -1.905) 2.180 20.775 ( 0.000 -1.060 1.905) 2.180 21.388 ( -0.000 4.784 -6.927) 8.418 21.388 ( -0.000 4.784 6.927) 8.418 24.580 ( -0.000 0.093 -0.276) 0.291 24.580 ( -0.000 0.093 0.276) 0.291 25.782 ( -0.000 5.641 -8.046) 9.826 25.782 ( -0.000 5.641 8.046) 9.826 25.797 ( -0.000 2.819 -14.755) 15.022 25.797 ( -0.000 2.819 14.755) 15.022 27.233 ( 0.000 -2.140 -11.555) 11.752 27.233 ( 0.000 -2.140 11.555) 11.752 27.465 ( -0.000 0.490 -7.384) 7.401 27.465 ( -0.000 0.490 7.384) 7.401 29.602 ( -0.000 2.677 -3.612) 4.496 29.602 ( -0.000 2.677 3.612) 4.496 29.847 ( -0.000 1.401 -9.190) 9.296 29.847 ( -0.000 1.401 9.190) 9.296 30.448 ( 0.000 -0.927 -7.772) 7.827 30.448 ( 0.000 -0.927 7.772) 7.827 31.523 ( -0.000 8.761 -3.040) 9.274 31.523 ( -0.000 8.761 3.040) 9.274 32.191 ( -0.000 11.801 -16.737) 20.479 32.191 ( -0.000 11.801 16.737) 20.479 33.373 ( 0.000 -37.007 -29.286) 47.193 33.373 ( 0.000 -37.007 29.286) 47.193 ======================= Grid point 329 (95/100) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 10.826 0.000 -2.837) 11.192 2.459 ( 10.826 0.000 2.837) 11.192 2.627 ( 15.123 0.000 -2.788) 15.378 2.627 ( 15.123 0.000 2.788) 15.378 3.365 ( -5.118 -0.000 -7.734) 9.275 3.365 ( -5.118 -0.000 7.734) 9.275 3.418 ( -10.951 -0.000 -1.414) 11.042 3.418 ( -10.951 -0.000 1.414) 11.042 3.712 ( -0.731 -0.000 -13.112) 13.133 3.712 ( -0.731 -0.000 13.112) 13.133 3.765 ( -4.745 -0.000 -7.300) 8.706 3.765 ( -4.745 -0.000 7.300) 8.706 4.407 ( 8.969 0.000 -15.970) 18.316 4.407 ( 8.969 0.000 15.970) 18.316 4.655 ( 1.202 0.000 -1.822) 2.182 4.655 ( 1.202 0.000 1.822) 2.182 4.822 ( 4.846 0.000 -4.627) 6.700 4.822 ( 4.846 0.000 4.627) 6.700 5.946 ( 0.539 0.000 -15.058) 15.068 5.946 ( 0.539 0.000 15.058) 15.068 6.810 ( 4.531 0.000 -3.890) 5.972 6.810 ( 4.531 0.000 3.890) 5.972 7.037 ( -0.156 -0.000 -0.157) 0.222 7.037 ( -0.156 -0.000 0.157) 0.222 7.463 ( 0.406 0.000 -11.133) 11.140 7.463 ( 0.406 0.000 11.133) 11.140 8.199 ( 3.165 0.000 -16.358) 16.661 8.199 ( 3.165 0.000 16.358) 16.661 8.463 ( -0.868 -0.000 -7.129) 7.182 8.463 ( -0.868 -0.000 7.129) 7.182 8.782 ( 3.353 0.000 -12.069) 12.526 8.782 ( 3.353 0.000 12.069) 12.526 8.860 ( 0.348 0.000 -10.064) 10.070 8.860 ( 0.348 0.000 10.064) 10.070 10.096 ( -22.886 -0.000 -2.392) 23.011 10.096 ( -22.886 -0.000 2.392) 23.011 11.184 ( -10.642 -0.000 -1.737) 10.783 11.184 ( -10.642 -0.000 1.737) 10.783 11.295 ( -8.239 -0.000 -1.420) 8.361 11.295 ( -8.239 -0.000 1.420) 8.361 11.677 ( -2.036 -0.000 -9.650) 9.862 11.677 ( -2.036 -0.000 9.650) 9.862 12.099 ( 1.800 0.000 -15.264) 15.369 12.099 ( 1.800 0.000 15.264) 15.369 12.333 ( 2.940 0.000 -21.920) 22.117 12.333 ( 2.940 0.000 21.920) 22.117 12.834 ( 4.792 0.000 -27.516) 27.931 12.834 ( 4.792 0.000 27.516) 27.931 14.986 ( 5.261 0.000 -22.557) 23.162 14.986 ( 5.261 0.000 22.557) 23.162 15.280 ( 5.761 0.000 -17.085) 18.031 15.280 ( 5.761 0.000 17.085) 18.031 16.385 ( 0.398 0.000 -2.283) 2.317 16.385 ( 0.398 0.000 2.283) 2.317 16.897 ( 3.850 0.000 -1.110) 4.006 16.897 ( 3.850 0.000 1.110) 4.006 18.418 ( 2.712 0.000 -4.493) 5.248 18.418 ( 2.712 0.000 4.493) 5.248 19.356 ( -7.556 -0.000 -9.002) 11.752 19.356 ( -7.556 -0.000 9.002) 11.752 19.546 ( -2.025 -0.000 -16.747) 16.869 19.546 ( -2.025 -0.000 16.747) 16.869 19.878 ( -4.789 -0.000 -0.571) 4.823 19.878 ( -4.789 -0.000 0.571) 4.823 20.905 ( 0.492 0.000 -2.920) 2.961 20.905 ( 0.492 0.000 2.920) 2.961 21.249 ( 4.078 0.000 -12.146) 12.812 21.249 ( 4.078 0.000 12.146) 12.812 24.584 ( 0.038 0.000 -0.211) 0.214 24.584 ( 0.038 0.000 0.211) 0.214 25.327 ( 4.380 0.000 -4.806) 6.502 25.327 ( 4.380 0.000 4.806) 6.502 25.999 ( 4.006 0.000 -15.382) 15.895 25.999 ( 4.006 0.000 15.382) 15.895 27.308 ( 2.216 0.000 -1.749) 2.823 27.308 ( 2.216 0.000 1.749) 2.823 27.498 ( -1.840 -0.000 -15.723) 15.831 27.498 ( -1.840 -0.000 15.723) 15.831 29.596 ( -1.934 -0.000 -9.608) 9.801 29.596 ( -1.934 -0.000 9.608) 9.801 29.925 ( 5.786 0.000 -8.276) 10.097 29.925 ( 5.786 0.000 8.276) 10.097 30.447 ( 2.265 0.000 -1.811) 2.900 30.447 ( 2.265 0.000 1.811) 2.900 31.434 ( 7.357 0.000 -0.482) 7.373 31.434 ( 7.357 0.000 0.482) 7.373 31.996 ( 9.779 0.000 -7.553) 12.356 31.996 ( 9.779 0.000 7.553) 12.356 33.775 ( -40.309 -0.000 -30.914) 50.799 33.775 ( -40.309 -0.000 30.914) 50.799 ======================= Grid point 331 (96/100) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 8.569 0.914 -5.527) 10.238 2.551 ( 8.569 0.914 5.527) 10.238 2.783 ( 9.382 -2.920 -4.529) 10.820 2.783 ( 9.382 -2.920 4.529) 10.820 3.251 ( -6.305 5.183 -1.976) 8.398 3.251 ( -6.305 5.183 1.976) 8.398 3.370 ( -1.075 -1.214 -7.585) 7.756 3.370 ( -1.075 -1.214 7.585) 7.756 3.625 ( -4.265 3.669 -6.934) 8.929 3.625 ( -4.265 3.669 6.934) 8.929 3.783 ( -1.581 -2.760 -4.456) 5.475 3.783 ( -1.581 -2.760 4.456) 5.475 4.498 ( 6.764 -0.802 -8.499) 10.892 4.498 ( 6.764 -0.802 8.499) 10.892 4.645 ( 0.370 1.652 -2.052) 2.660 4.645 ( 0.370 1.652 2.052) 2.660 4.916 ( 2.901 -5.454 -4.982) 7.936 4.916 ( 2.901 -5.454 4.982) 7.936 5.969 ( 0.784 -1.911 -15.844) 15.978 5.969 ( 0.784 -1.911 15.844) 15.978 6.877 ( 3.499 -3.605 -3.960) 6.397 6.877 ( 3.499 -3.605 3.960) 6.397 7.052 ( -1.938 -2.299 -3.766) 4.819 7.052 ( -1.938 -2.299 3.766) 4.819 7.447 ( 0.243 2.084 -11.885) 12.069 7.447 ( 0.243 2.084 11.885) 12.069 8.237 ( 0.174 -2.560 -13.793) 14.030 8.237 ( 0.174 -2.560 13.793) 14.030 8.478 ( 1.149 -1.484 -7.277) 7.515 8.478 ( 1.149 -1.484 7.277) 7.515 8.798 ( 2.056 3.178 -10.675) 11.326 8.798 ( 2.056 3.178 10.675) 11.326 8.849 ( -0.436 -0.085 -11.012) 11.021 8.849 ( -0.436 -0.085 11.012) 11.021 9.886 ( -14.024 2.000 -4.447) 14.847 9.886 ( -14.024 2.000 4.447) 14.847 11.064 ( -9.081 1.609 -4.543) 10.281 11.064 ( -9.081 1.609 4.543) 10.281 11.267 ( -3.116 -2.919 -2.565) 4.981 11.267 ( -3.116 -2.919 2.565) 4.981 11.641 ( -2.085 2.873 -9.878) 10.496 11.641 ( -2.085 2.873 9.878) 10.496 12.116 ( 1.365 -0.039 -12.530) 12.604 12.116 ( 1.365 -0.039 12.530) 12.604 12.276 ( 2.531 7.817 -20.447) 22.036 12.276 ( 2.531 7.817 20.447) 22.036 12.860 ( 2.908 1.590 -28.793) 28.983 12.860 ( 2.908 1.590 28.793) 28.983 15.090 ( 4.610 -5.825 -19.040) 20.437 15.090 ( 4.610 -5.825 19.040) 20.437 15.331 ( 2.197 -0.732 -18.268) 18.414 15.331 ( 2.197 -0.732 18.268) 18.414 16.416 ( 0.214 -3.056 -2.898) 4.217 16.416 ( 0.214 -3.056 2.898) 4.217 16.918 ( 2.846 1.427 -1.839) 3.676 16.918 ( 2.846 1.427 1.839) 3.676 18.442 ( 1.609 -0.205 -4.344) 4.637 18.442 ( 1.609 -0.205 4.344) 4.637 19.301 ( -4.932 -1.052 -7.359) 8.922 19.301 ( -4.932 -1.052 7.359) 8.922 19.493 ( -1.742 3.649 -13.420) 14.015 19.493 ( -1.742 3.649 13.420) 14.015 19.825 ( -3.590 1.225 -0.371) 3.811 19.825 ( -3.590 1.225 0.371) 3.811 20.908 ( 0.954 0.898 -2.298) 2.645 20.908 ( 0.954 0.898 2.298) 2.645 21.298 ( 2.864 -1.823 -11.798) 12.277 21.298 ( 2.864 -1.823 11.798) 12.277 24.584 ( 0.031 -0.005 -0.451) 0.452 24.584 ( 0.031 -0.005 0.451) 0.452 25.408 ( 3.406 -4.681 -3.024) 6.531 25.408 ( 3.406 -4.681 3.024) 6.531 26.025 ( 1.890 0.554 -15.368) 15.494 26.025 ( 1.890 0.554 15.368) 15.494 27.315 ( 1.659 1.687 -0.591) 2.439 27.315 ( 1.659 1.687 0.591) 2.439 27.471 ( -2.198 0.384 -17.439) 17.581 27.471 ( -2.198 0.384 17.439) 17.581 29.620 ( -1.284 -4.417 -8.730) 9.867 29.620 ( -1.284 -4.417 8.730) 9.867 29.965 ( 4.694 1.491 -9.141) 10.383 29.965 ( 4.694 1.491 9.141) 10.383 30.419 ( 0.866 4.776 -3.585) 6.034 30.419 ( 0.866 4.776 3.585) 6.034 31.552 ( 5.537 -5.783 -0.900) 8.057 31.552 ( 5.537 -5.783 0.900) 8.057 32.112 ( 10.693 -1.324 -9.449) 14.332 32.112 ( 10.693 -1.324 9.449) 14.332 33.334 ( -30.811 8.634 -30.044) 43.892 33.334 ( -30.811 8.634 30.044) 43.892 ======================= Grid point 333 (97/100) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 3.072 2.298 -4.046) 5.576 2.582 ( 3.072 2.298 4.046) 5.576 2.891 ( 3.249 -2.398 -2.592) 4.799 2.891 ( 3.249 -2.398 2.592) 4.799 3.122 ( -3.868 3.071 -2.357) 5.472 3.122 ( -3.868 3.071 2.357) 5.472 3.418 ( 5.466 -0.902 -8.523) 10.165 3.418 ( 5.466 -0.902 8.523) 10.165 3.540 ( -4.279 0.785 -6.950) 8.199 3.540 ( -4.279 0.785 6.950) 8.199 3.807 ( -0.623 -1.201 -5.644) 5.804 3.807 ( -0.623 -1.201 5.644) 5.804 4.555 ( 4.286 0.665 -1.777) 4.687 4.555 ( 4.286 0.665 1.777) 4.687 4.616 ( -1.559 0.615 -0.761) 1.840 4.616 ( -1.559 0.615 0.761) 1.840 5.033 ( 1.376 -4.737 -1.668) 5.207 5.033 ( 1.376 -4.737 1.668) 5.207 6.015 ( 0.626 -2.070 -15.048) 15.203 6.015 ( 0.626 -2.070 15.048) 15.203 6.994 ( 4.050 -4.521 -0.412) 6.084 6.994 ( 4.050 -4.521 0.412) 6.084 7.068 ( -3.246 -2.779 -2.188) 4.801 7.068 ( -3.246 -2.779 2.188) 4.801 7.411 ( -0.139 1.441 -18.285) 18.342 7.411 ( -0.139 1.441 18.285) 18.342 8.303 ( 0.259 -5.330 -13.389) 14.413 8.303 ( 0.259 -5.330 13.389) 14.413 8.514 ( 0.024 -1.047 -18.852) 18.881 8.514 ( 0.024 -1.047 18.852) 18.881 8.714 ( 0.027 6.154 -16.126) 17.261 8.714 ( 0.027 6.154 16.126) 17.261 8.849 ( -0.884 0.509 -12.166) 12.209 8.849 ( -0.884 0.509 12.166) 12.209 9.776 ( -5.041 -0.370 -5.171) 7.231 9.776 ( -5.041 -0.370 5.171) 7.231 10.970 ( -4.029 1.329 -6.740) 7.964 10.970 ( -4.029 1.329 6.740) 7.964 11.325 ( 0.771 -4.748 -0.707) 4.862 11.325 ( 0.771 -4.748 0.707) 4.862 11.506 ( -2.641 10.208 -9.741) 14.355 11.506 ( -2.641 10.208 9.741) 14.355 12.126 ( 3.355 1.609 -5.490) 6.633 12.126 ( 3.355 1.609 5.490) 6.633 12.183 ( -1.407 2.326 -8.726) 9.139 12.183 ( -1.407 2.326 8.726) 9.139 12.844 ( 1.415 2.410 -29.938) 30.068 12.844 ( 1.415 2.410 29.938) 30.068 15.243 ( 5.546 -4.347 -6.541) 9.615 15.243 ( 5.546 -4.347 6.541) 9.615 15.342 ( -3.285 -2.052 -10.053) 10.773 15.342 ( -3.285 -2.052 10.053) 10.773 16.485 ( 0.344 -4.332 -3.613) 5.651 16.485 ( 0.344 -4.332 3.613) 5.651 16.904 ( 1.362 2.644 -2.954) 4.192 16.904 ( 1.362 2.644 2.954) 4.192 18.455 ( 0.438 -0.172 -3.681) 3.711 18.455 ( 0.438 -0.172 3.681) 3.711 19.301 ( -0.959 -2.400 -4.193) 4.926 19.301 ( -0.959 -2.400 4.193) 4.926 19.401 ( -1.692 4.608 -8.008) 9.393 19.401 ( -1.692 4.608 8.008) 9.393 19.774 ( -1.841 1.254 -0.130) 2.231 19.774 ( -1.841 1.254 0.130) 2.231 20.883 ( 0.441 2.846 -1.375) 3.192 20.883 ( 0.441 2.846 1.375) 3.192 21.364 ( 1.302 -3.142 -9.816) 10.388 21.364 ( 1.302 -3.142 9.816) 10.388 24.584 ( 0.020 0.015 -0.640) 0.641 24.584 ( 0.020 0.015 0.640) 0.641 25.545 ( 2.160 -7.712 -3.048) 8.570 25.545 ( 2.160 -7.712 3.048) 8.570 26.012 ( 0.010 2.153 -14.637) 14.794 26.012 ( 0.010 2.153 14.637) 14.794 27.280 ( 0.459 3.240 -1.913) 3.791 27.280 ( 0.459 3.240 1.913) 3.791 27.455 ( -0.984 -0.364 -16.651) 16.685 27.455 ( -0.984 -0.364 16.651) 16.685 29.695 ( -0.210 -3.938 -8.391) 9.272 29.695 ( -0.210 -3.938 8.391) 9.272 29.966 ( 2.741 2.569 -9.746) 10.445 29.966 ( 2.741 2.569 9.746) 10.445 30.335 ( -0.829 3.556 -5.298) 6.434 30.335 ( -0.829 3.556 5.298) 6.434 31.704 ( 3.545 -5.209 -0.834) 6.356 31.704 ( 3.545 -5.209 0.834) 6.356 32.250 ( 7.339 -4.806 -11.109) 14.155 32.250 ( 7.339 -4.806 11.109) 14.155 32.919 ( -16.416 11.451 -27.382) 33.918 32.919 ( -16.416 11.451 27.382) 33.918 ======================= Grid point 335 (98/100) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -0.000 2.072 -2.729) 3.426 2.552 ( -0.000 2.072 2.729) 3.426 2.935 ( 0.000 -1.024 -0.428) 1.110 2.935 ( 0.000 -1.024 0.428) 1.110 3.079 ( -0.000 0.237 -2.524) 2.535 3.079 ( -0.000 0.237 2.524) 2.535 3.451 ( -0.000 0.392 -3.101) 3.126 3.451 ( -0.000 0.392 3.101) 3.126 3.537 ( 0.000 -2.537 -10.509) 10.811 3.537 ( 0.000 -2.537 10.509) 10.811 3.803 ( -0.000 1.581 -5.191) 5.426 3.803 ( -0.000 1.581 5.191) 5.426 4.558 ( -0.000 0.980 -0.837) 1.289 4.558 ( -0.000 0.980 0.837) 1.289 4.609 ( 0.000 -0.592 -1.429) 1.546 4.609 ( 0.000 -0.592 1.429) 1.546 5.086 ( 0.000 -0.564 -5.947) 5.974 5.086 ( 0.000 -0.564 5.947) 5.974 6.035 ( -0.000 0.385 -12.746) 12.752 6.035 ( -0.000 0.385 12.746) 12.752 7.044 ( -0.000 0.561 -4.913) 4.945 7.044 ( -0.000 0.561 4.913) 4.945 7.108 ( 0.000 -2.341 -5.239) 5.738 7.108 ( 0.000 -2.341 5.239) 5.738 7.426 ( 0.000 -3.701 -23.440) 23.730 7.426 ( 0.000 -3.701 23.440) 23.730 8.432 ( 0.000 -9.021 -19.859) 21.812 8.432 ( 0.000 -9.022 19.859) 21.812 8.482 ( -0.000 4.307 -18.409) 18.907 8.482 ( -0.000 4.307 18.409) 18.907 8.640 ( -0.000 1.984 -15.965) 16.088 8.640 ( -0.000 1.984 15.965) 16.088 8.800 ( -0.000 4.480 -10.640) 11.545 8.800 ( -0.000 4.480 10.640) 11.545 9.789 ( 0.000 -3.240 -6.868) 7.594 9.789 ( 0.000 -3.240 6.868) 7.594 10.946 ( 0.000 -0.843 -7.456) 7.503 10.946 ( 0.000 -0.843 7.456) 7.503 11.252 ( -0.000 14.509 -10.866) 18.127 11.252 ( -0.000 14.509 10.866) 18.127 11.451 ( 0.000 -7.364 -2.125) 7.664 11.451 ( 0.000 -7.364 2.125) 7.664 12.122 ( -0.000 0.563 -14.974) 14.985 12.122 ( -0.000 0.563 14.974) 14.985 12.184 ( 0.000 -2.536 -12.219) 12.480 12.184 ( 0.000 -2.536 12.219) 12.480 12.815 ( -0.000 1.656 -30.076) 30.121 12.815 ( -0.000 1.656 30.076) 30.121 15.253 ( -0.000 4.119 -19.092) 19.532 15.253 ( -0.000 4.119 19.092) 19.532 15.414 ( 0.000 -5.891 -14.793) 15.922 15.414 ( 0.000 -5.891 14.793) 15.922 16.558 ( 0.000 -3.527 -4.052) 5.372 16.558 ( 0.000 -3.527 4.052) 5.372 16.857 ( -0.000 3.417 -3.891) 5.179 16.857 ( -0.000 3.417 3.891) 5.179 18.459 ( 0.000 -0.040 -2.658) 2.658 18.459 ( 0.000 -0.040 2.658) 2.658 19.303 ( -0.000 4.542 -3.979) 6.038 19.303 ( -0.000 4.542 3.979) 6.038 19.369 ( 0.000 -4.828 -1.741) 5.133 19.369 ( 0.000 -4.828 1.741) 5.133 19.754 ( 0.000 -0.091 -0.388) 0.399 19.754 ( 0.000 -0.091 0.388) 0.399 20.829 ( -0.000 3.306 -2.097) 3.915 20.829 ( -0.000 3.306 2.097) 3.915 21.420 ( 0.000 -2.243 -7.749) 8.067 21.420 ( 0.000 -2.243 7.749) 8.067 24.584 ( -0.000 0.072 -0.544) 0.548 24.584 ( -0.000 0.072 0.544) 0.548 25.694 ( 0.000 -7.504 -8.775) 11.546 25.694 ( 0.000 -7.504 8.775) 11.546 25.955 ( -0.000 4.003 -13.323) 13.911 25.955 ( -0.000 4.003 13.323) 13.911 27.231 ( -0.000 2.347 -5.547) 6.023 27.231 ( -0.000 2.347 5.547) 6.023 27.460 ( 0.000 -0.593 -13.448) 13.461 27.460 ( 0.000 -0.593 13.448) 13.461 29.715 ( -0.000 1.758 -6.932) 7.151 29.715 ( -0.000 1.758 6.932) 7.151 29.931 ( -0.000 3.029 -9.854) 10.309 29.931 ( -0.000 3.029 9.854) 10.309 30.324 ( 0.000 -3.022 -6.313) 6.999 30.324 ( 0.000 -3.022 6.313) 6.999 31.751 ( -0.000 2.337 -1.097) 2.582 31.751 ( -0.000 2.337 1.097) 2.582 32.458 ( 0.000 -15.682 -16.979) 23.113 32.458 ( 0.000 -15.682 16.979) 23.113 32.630 ( -0.000 12.730 -24.446) 27.562 32.630 ( -0.000 12.730 24.446) 27.562 ======================= Grid point 351 (99/100) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 5.651 0.000 -0.318) 5.660 2.636 ( 5.651 0.000 0.318) 5.660 2.834 ( 5.004 0.000 -1.535) 5.234 2.834 ( 5.004 0.000 1.535) 5.234 3.221 ( -7.070 -0.000 -3.035) 7.694 3.221 ( -7.070 -0.000 3.035) 7.694 3.399 ( 7.927 0.000 -11.243) 13.756 3.399 ( 7.927 0.000 11.243) 13.756 3.596 ( -8.937 -0.000 -12.924) 15.713 3.596 ( -8.937 -0.000 12.924) 15.713 3.744 ( 0.261 0.000 -8.959) 8.963 3.744 ( 0.261 0.000 8.959) 8.963 4.551 ( 4.774 0.000 -4.861) 6.814 4.551 ( 4.774 0.000 4.861) 6.814 4.663 ( -0.433 -0.000 -1.321) 1.390 4.663 ( -0.433 -0.000 1.321) 1.390 4.884 ( 1.481 0.000 -5.095) 5.306 4.884 ( 1.481 0.000 5.095) 5.306 5.955 ( 0.221 0.000 -17.017) 17.018 5.955 ( 0.221 0.000 17.017) 17.018 6.861 ( 1.076 0.000 -8.682) 8.749 6.861 ( 1.076 0.000 8.682) 8.749 7.022 ( -0.874 -0.000 -4.615) 4.697 7.022 ( -0.874 -0.000 4.615) 4.697 7.471 ( 0.327 0.000 -11.414) 11.418 7.471 ( 0.327 0.000 11.414) 11.418 8.210 ( -0.773 -0.000 -12.216) 12.240 8.210 ( -0.773 -0.000 12.216) 12.240 8.478 ( 1.173 0.000 -3.183) 3.392 8.478 ( 1.173 0.000 3.183) 3.392 8.832 ( 1.426 0.000 -14.030) 14.102 8.832 ( 1.426 0.000 14.030) 14.102 8.862 ( -0.068 -0.000 -10.532) 10.533 8.862 ( -0.068 -0.000 10.533) 10.533 9.791 ( -7.678 -0.000 -4.097) 8.702 9.791 ( -7.678 -0.000 4.097) 8.702 11.003 ( -5.254 -0.000 -1.313) 5.415 11.003 ( -5.254 -0.000 1.313) 5.415 11.214 ( -1.761 -0.000 -5.972) 6.226 11.214 ( -1.761 -0.000 5.972) 6.226 11.651 ( -0.618 -0.000 -10.104) 10.123 11.651 ( -0.618 -0.000 10.104) 10.123 12.122 ( 0.554 0.000 -12.765) 12.777 12.122 ( 0.554 0.000 12.765) 12.777 12.375 ( 1.122 0.000 -22.509) 22.537 12.375 ( 1.122 0.000 22.509) 22.537 12.899 ( 1.684 0.000 -31.104) 31.150 12.899 ( 1.684 0.000 31.104) 31.150 15.064 ( 2.202 0.000 -22.980) 23.086 15.064 ( 2.202 0.000 22.980) 23.086 15.352 ( 1.740 0.000 -23.270) 23.335 15.352 ( 1.740 0.000 23.270) 23.335 16.388 ( -0.029 -0.000 -2.943) 2.943 16.388 ( -0.029 -0.000 2.943) 2.943 16.954 ( 1.618 0.000 -1.706) 2.351 16.954 ( 1.618 0.000 1.706) 2.351 18.455 ( 0.967 0.000 -4.638) 4.738 18.455 ( 0.967 0.000 4.638) 4.738 19.249 ( -2.938 -0.000 -7.925) 8.452 19.249 ( -2.938 -0.000 7.925) 8.452 19.512 ( -1.049 -0.000 -14.658) 14.695 19.512 ( -1.049 -0.000 14.658) 14.695 19.808 ( -1.971 -0.000 -0.343) 2.000 19.808 ( -1.971 -0.000 0.343) 2.000 20.925 ( 0.894 0.000 -2.637) 2.785 20.925 ( 0.894 0.000 2.637) 2.785 21.305 ( 1.493 0.000 -13.214) 13.298 21.305 ( 1.493 0.000 13.214) 13.298 24.584 ( 0.012 0.000 -0.249) 0.250 24.584 ( 0.012 0.000 0.249) 0.250 25.392 ( 1.848 0.000 -4.890) 5.227 25.392 ( 1.848 0.000 4.890) 5.227 26.046 ( 1.055 0.000 -16.308) 16.342 26.046 ( 1.055 0.000 16.308) 16.342 27.348 ( 1.598 0.000 -1.106) 1.944 27.348 ( 1.598 0.000 1.106) 1.944 27.453 ( -1.987 -0.000 -19.419) 19.520 27.453 ( -1.987 -0.000 19.419) 19.520 29.565 ( -0.914 -0.000 -7.926) 7.979 29.565 ( -0.914 -0.000 7.926) 7.979 30.015 ( 2.617 0.000 -10.391) 10.716 30.015 ( 2.617 0.000 10.391) 10.716 30.479 ( 0.865 0.000 -3.711) 3.810 30.479 ( 0.865 0.000 3.711) 3.810 31.534 ( 2.564 0.000 -0.897) 2.717 31.534 ( 2.564 0.000 0.897) 2.717 32.217 ( 10.211 0.000 -11.628) 15.475 32.217 ( 10.211 0.000 11.628) 15.475 33.137 ( -21.054 -0.000 -29.473) 36.221 33.137 ( -21.054 -0.000 29.473) 36.221 ======================= Grid point 353 (100/100) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -0.000 2.246 -2.803) 3.592 2.645 ( -0.000 2.246 2.803) 3.592 2.874 ( 0.000 -1.697 -2.772) 3.250 2.874 ( 0.000 -1.697 2.772) 3.250 3.153 ( -0.000 3.133 -4.686) 5.638 3.153 ( -0.000 3.133 4.686) 5.638 3.481 ( 0.000 -0.768 -11.137) 11.163 3.481 ( 0.000 -0.768 11.137) 11.163 3.495 ( -0.000 2.015 -11.047) 11.230 3.495 ( -0.000 2.015 11.047) 11.230 3.770 ( 0.000 -2.251 -7.843) 8.160 3.770 ( 0.000 -2.251 7.843) 8.160 4.582 ( 0.000 -0.597 -2.212) 2.292 4.582 ( 0.000 -0.597 2.212) 2.292 4.635 ( -0.000 2.441 -1.498) 2.864 4.635 ( -0.000 2.441 1.498) 2.864 4.945 ( 0.000 -5.382 -5.355) 7.592 4.945 ( 0.000 -5.382 5.355) 7.592 5.977 ( 0.000 -2.221 -16.819) 16.965 5.977 ( 0.000 -2.221 16.819) 16.965 6.913 ( 0.000 -5.197 -7.267) 8.934 6.913 ( 0.000 -5.197 7.267) 8.934 7.026 ( 0.000 -0.940 -4.976) 5.064 7.026 ( 0.000 -0.940 4.976) 5.064 7.451 ( -0.000 2.321 -11.737) 11.965 7.451 ( -0.000 2.321 11.737) 11.965 8.230 ( 0.000 -2.895 -11.028) 11.402 8.230 ( 0.000 -2.895 11.028) 11.402 8.494 ( 0.000 -1.118 -9.797) 9.861 8.494 ( 0.000 -1.118 9.797) 9.861 8.817 ( -0.000 4.882 -10.989) 12.024 8.817 ( -0.000 4.882 10.989) 12.024 8.845 ( 0.000 -0.512 -13.909) 13.918 8.845 ( 0.000 -0.512 13.909) 13.918 9.748 ( -0.000 0.364 -4.418) 4.433 9.748 ( -0.000 0.364 4.418) 4.433 10.968 ( -0.000 0.923 -4.630) 4.722 10.968 ( -0.000 0.923 4.630) 4.722 11.239 ( 0.000 -3.850 -4.971) 6.288 11.239 ( 0.000 -3.850 4.971) 6.288 11.621 ( -0.000 3.730 -9.939) 10.616 11.621 ( -0.000 3.730 9.939) 10.616 12.130 ( 0.000 -0.633 -12.219) 12.236 12.130 ( 0.000 -0.633 12.219) 12.236 12.301 ( -0.000 7.967 -22.419) 23.792 12.301 ( -0.000 7.967 22.419) 23.792 12.890 ( -0.000 1.869 -31.051) 31.108 12.890 ( -0.000 1.869 31.051) 31.108 15.140 ( 0.000 -6.961 -21.410) 22.513 15.140 ( 0.000 -6.961 21.410) 22.513 15.349 ( -0.000 1.415 -23.460) 23.503 15.349 ( -0.000 1.415 23.460) 23.503 16.417 ( 0.000 -3.246 -3.184) 4.547 16.417 ( 0.000 -3.246 3.184) 4.547 16.948 ( -0.000 1.535 -2.206) 2.687 16.948 ( -0.000 1.535 2.206) 2.687 18.458 ( -0.000 0.129 -4.415) 4.417 18.458 ( -0.000 0.129 4.415) 4.417 19.250 ( 0.000 -1.845 -6.846) 7.090 19.250 ( 0.000 -1.845 6.846) 7.090 19.474 ( -0.000 3.643 -12.515) 13.034 19.474 ( -0.000 3.643 12.515) 13.034 19.787 ( -0.000 1.165 -0.271) 1.196 19.787 ( -0.000 1.165 0.271) 1.196 20.921 ( -0.000 1.189 -2.007) 2.332 20.921 ( -0.000 1.189 2.007) 2.332 21.327 ( 0.000 -1.745 -12.334) 12.457 21.327 ( 0.000 -1.745 12.334) 12.457 24.584 ( 0.000 -0.012 -0.474) 0.474 24.584 ( 0.000 -0.012 0.474) 0.474 25.444 ( 0.000 -4.791 -3.078) 5.695 25.444 ( 0.000 -4.791 3.078) 5.695 26.042 ( -0.000 1.105 -16.105) 16.143 26.042 ( -0.000 1.105 16.105) 16.143 27.335 ( -0.000 2.430 -0.301) 2.448 27.335 ( -0.000 2.430 0.301) 2.448 27.443 ( 0.000 -0.222 -19.699) 19.700 27.443 ( 0.000 -0.222 19.699) 19.700 29.606 ( 0.000 -4.800 -8.029) 9.354 29.606 ( 0.000 -4.800 8.029) 9.354 30.015 ( -0.000 1.433 -10.626) 10.722 30.015 ( -0.000 1.433 10.626) 10.722 30.427 ( -0.000 5.751 -5.071) 7.668 30.427 ( -0.000 5.751 5.071) 7.668 31.607 ( 0.000 -6.356 -1.239) 6.475 31.607 ( 0.000 -6.356 1.239) 6.475 32.270 ( -0.000 0.278 -11.565) 11.569 32.270 ( -0.000 0.278 11.565) 11.569 32.974 ( -0.000 5.885 -28.597) 29.196 32.974 ( -0.000 5.885 28.597) 29.196 =================== 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 3/43740 10.0 19541.946 16542.288 15586.464 0.000 0.000 0.000 3/43740 20.0 1580.092 1624.004 2177.547 0.000 0.000 0.000 3/43740 30.0 384.177 407.248 576.117 0.000 0.000 0.000 3/43740 40.0 163.062 176.798 250.451 0.000 0.000 0.000 3/43740 50.0 90.297 99.401 138.846 0.000 0.000 0.000 3/43740 60.0 58.192 64.750 88.836 0.000 0.000 0.000 3/43740 70.0 41.331 46.343 62.534 0.000 0.000 0.000 3/43740 80.0 31.391 35.392 47.125 0.000 0.000 0.000 3/43740 90.0 25.024 28.324 37.349 0.000 0.000 0.000 3/43740 100.0 20.681 23.475 30.749 0.000 0.000 0.000 3/43740 110.0 17.571 19.985 26.066 0.000 0.000 0.000 3/43740 120.0 15.253 17.374 22.605 0.000 0.000 0.000 3/43740 130.0 13.470 15.359 19.959 0.000 0.000 0.000 3/43740 140.0 12.060 13.762 17.879 0.000 0.000 0.000 3/43740 150.0 10.920 12.468 16.205 0.000 0.000 0.000 3/43740 160.0 9.980 11.400 14.829 0.000 0.000 0.000 3/43740 170.0 9.193 10.504 13.679 0.000 0.000 0.000 3/43740 180.0 8.524 9.742 12.703 0.000 0.000 0.000 3/43740 190.0 7.949 9.086 11.865 0.000 0.000 0.000 3/43740 200.0 7.450 8.516 11.137 0.000 0.000 0.000 3/43740 210.0 7.011 8.015 10.498 0.000 0.000 0.000 3/43740 220.0 6.623 7.572 9.933 0.000 0.000 0.000 3/43740 230.0 6.278 7.178 9.429 0.000 0.000 0.000 3/43740 240.0 5.968 6.824 8.977 0.000 0.000 0.000 3/43740 250.0 5.689 6.505 8.569 0.000 0.000 0.000 3/43740 260.0 5.436 6.216 8.199 0.000 0.000 0.000 3/43740 270.0 5.205 5.953 7.861 0.000 0.000 0.000 3/43740 280.0 4.994 5.712 7.552 0.000 0.000 0.000 3/43740 290.0 4.801 5.491 7.268 0.000 0.000 0.000 3/43740 300.0 4.622 5.287 7.006 0.000 0.000 0.000 3/43740 310.0 4.457 5.098 6.763 0.000 0.000 0.000 3/43740 320.0 4.304 4.923 6.537 0.000 0.000 0.000 3/43740 330.0 4.162 4.761 6.327 0.000 0.000 0.000 3/43740 340.0 4.029 4.609 6.131 0.000 0.000 0.000 3/43740 350.0 3.905 4.467 5.948 0.000 0.000 0.000 3/43740 360.0 3.788 4.334 5.776 0.000 0.000 0.000 3/43740 370.0 3.679 4.210 5.614 0.000 0.000 0.000 3/43740 380.0 3.576 4.092 5.461 0.000 0.000 0.000 3/43740 390.0 3.479 3.982 5.318 0.000 0.000 0.000 3/43740 400.0 3.387 3.877 5.181 0.000 0.000 0.000 3/43740 410.0 3.301 3.778 5.053 0.000 0.000 0.000 3/43740 420.0 3.218 3.684 4.930 0.000 0.000 0.000 3/43740 430.0 3.140 3.595 4.814 0.000 0.000 0.000 3/43740 440.0 3.066 3.511 4.704 0.000 0.000 0.000 3/43740 450.0 2.996 3.430 4.598 0.000 0.000 0.000 3/43740 460.0 2.929 3.354 4.498 0.000 0.000 0.000 3/43740 470.0 2.864 3.280 4.402 0.000 0.000 0.000 3/43740 480.0 2.803 3.210 4.310 0.000 0.000 0.000 3/43740 490.0 2.744 3.144 4.222 0.000 0.000 0.000 3/43740 500.0 2.688 3.079 4.138 0.000 0.000 0.000 3/43740 510.0 2.634 3.018 4.058 0.000 0.000 0.000 3/43740 520.0 2.583 2.959 3.980 0.000 0.000 0.000 3/43740 530.0 2.533 2.903 3.906 0.000 0.000 0.000 3/43740 540.0 2.486 2.848 3.834 0.000 0.000 0.000 3/43740 550.0 2.440 2.796 3.765 0.000 0.000 0.000 3/43740 560.0 2.396 2.746 3.699 0.000 0.000 0.000 3/43740 570.0 2.353 2.697 3.635 0.000 0.000 0.000 3/43740 580.0 2.312 2.650 3.573 0.000 0.000 0.000 3/43740 590.0 2.273 2.605 3.513 0.000 0.000 0.000 3/43740 600.0 2.235 2.562 3.456 0.000 0.000 0.000 3/43740 610.0 2.198 2.520 3.400 0.000 0.000 0.000 3/43740 620.0 2.162 2.479 3.346 0.000 0.000 0.000 3/43740 630.0 2.128 2.440 3.294 0.000 0.000 0.000 3/43740 640.0 2.094 2.402 3.244 0.000 0.000 0.000 3/43740 650.0 2.062 2.365 3.195 0.000 0.000 0.000 3/43740 660.0 2.031 2.329 3.147 0.000 0.000 0.000 3/43740 670.0 2.000 2.294 3.101 0.000 0.000 0.000 3/43740 680.0 1.971 2.261 3.057 0.000 0.000 0.000 3/43740 690.0 1.942 2.228 3.014 0.000 0.000 0.000 3/43740 700.0 1.915 2.196 2.971 0.000 0.000 0.000 3/43740 710.0 1.888 2.166 2.931 0.000 0.000 0.000 3/43740 720.0 1.862 2.136 2.891 0.000 0.000 0.000 3/43740 730.0 1.836 2.107 2.852 0.000 0.000 0.000 3/43740 740.0 1.812 2.078 2.814 0.000 0.000 0.000 3/43740 750.0 1.787 2.051 2.778 0.000 0.000 0.000 3/43740 760.0 1.764 2.024 2.742 0.000 0.000 0.000 3/43740 770.0 1.741 1.998 2.707 0.000 0.000 0.000 3/43740 780.0 1.719 1.973 2.673 0.000 0.000 0.000 3/43740 790.0 1.697 1.948 2.640 0.000 0.000 0.000 3/43740 800.0 1.676 1.924 2.608 0.000 0.000 0.000 3/43740 810.0 1.656 1.900 2.577 0.000 0.000 0.000 3/43740 820.0 1.636 1.877 2.546 0.000 0.000 0.000 3/43740 830.0 1.616 1.855 2.516 0.000 0.000 0.000 3/43740 840.0 1.597 1.833 2.487 0.000 0.000 0.000 3/43740 850.0 1.578 1.812 2.458 0.000 0.000 0.000 3/43740 860.0 1.560 1.791 2.431 0.000 0.000 0.000 3/43740 870.0 1.542 1.770 2.403 0.000 0.000 0.000 3/43740 880.0 1.525 1.751 2.377 0.000 0.000 0.000 3/43740 890.0 1.508 1.731 2.351 0.000 0.000 0.000 3/43740 900.0 1.491 1.712 2.325 0.000 0.000 0.000 3/43740 910.0 1.475 1.693 2.300 0.000 0.000 0.000 3/43740 920.0 1.459 1.675 2.276 0.000 0.000 0.000 3/43740 930.0 1.443 1.657 2.252 0.000 0.000 0.000 3/43740 940.0 1.428 1.640 2.229 0.000 0.000 0.000 3/43740 950.0 1.413 1.623 2.206 0.000 0.000 0.000 3/43740 960.0 1.399 1.606 2.183 0.000 0.000 0.000 3/43740 970.0 1.384 1.590 2.161 0.000 0.000 0.000 3/43740 980.0 1.370 1.574 2.140 0.000 0.000 0.000 3/43740 990.0 1.357 1.558 2.119 0.000 0.000 0.000 3/43740 1000.0 1.343 1.543 2.098 0.000 0.000 0.000 3/43740 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:03:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|