----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:27:19]------------------------- 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: [4 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.126364770268467 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547971860000004 0.000000000000000 c -4.061034634362293 0.000000000000000 12.594389555589730 Atomic positions (fractional): *1 F 0.85447145239647 0.65871993355306 0.34170200152597 18.998 2 F 0.14552854760353 0.15871993355306 0.15829799847403 18.998 3 F 0.14552854760353 0.34128006644694 0.65829799847403 18.998 4 F 0.85447145239647 0.84128006644694 0.84170200152597 18.998 *5 F 0.37679968125010 0.98623485736854 0.37924317192733 18.998 6 F 0.62320031874990 0.48623485736854 0.12075682807267 18.998 7 F 0.62320031874990 0.01376514263146 0.62075682807267 18.998 8 F 0.37679968125010 0.51376514263146 0.87924317192733 18.998 *9 F 0.05667076773004 0.61897474530600 0.01577852058378 18.998 10 F 0.94332923226996 0.11897474530600 0.48422147941622 18.998 11 F 0.94332923226996 0.38102525469400 0.98422147941622 18.998 12 F 0.05667076773004 0.88102525469400 0.51577852058378 18.998 *13 F 0.41066386455354 0.77551945503756 0.40333343476310 18.998 14 F 0.58933613544646 0.27551945503756 0.09666656523690 18.998 15 F 0.58933613544646 0.22448054496244 0.59666656523690 18.998 16 F 0.41066386455354 0.72448054496244 0.90333343476310 18.998 *17 F 0.24701528005249 0.90287155524506 0.72582756646894 18.998 18 F 0.75298471994751 0.40287155524506 0.77417243353106 18.998 19 F 0.75298471994751 0.09712844475494 0.27417243353106 18.998 20 F 0.24701528005249 0.59712844475494 0.22582756646894 18.998 *21 Br 0.12583897737859 0.87958830118113 0.12030078871969 79.904 22 Br 0.87416102262141 0.37958830118113 0.37969921128031 79.904 23 Br 0.87416102262141 0.12041169881887 0.87969921128031 79.904 24 Br 0.12583897737859 0.62041169881887 0.62030078871969 79.904 *25 Sn 0.93808543657063 0.87500947778810 0.34464607667411 118.710 26 Sn 0.06191456342937 0.37500947778810 0.15535392332589 118.710 27 Sn 0.06191456342937 0.12499052221190 0.65535392332589 118.710 28 Sn 0.93808543657063 0.62499052221190 0.84464607667411 118.710 *29 Sn 0.56584619892845 0.65741817802674 0.12846374421974 118.710 30 Sn 0.43415380107155 0.15741817802674 0.37153625578026 118.710 31 Sn 0.43415380107155 0.34258182197326 0.87153625578026 118.710 32 Sn 0.56584619892845 0.84258182197326 0.62846374421974 118.710 *33 Sn 0.42771864914197 0.59978058430790 0.40129005754372 118.710 34 Sn 0.57228135085803 0.09978058430790 0.09870994245628 118.710 35 Sn 0.57228135085803 0.40021941569210 0.59870994245628 118.710 36 Sn 0.42771864914197 0.90021941569210 0.90129005754372 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.126364770268467 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547971860000004 0.000000000000000 c -4.061034634362293 0.000000000000000 12.594389555589730 Atomic positions (fractional): *1 F 0.85447145239647 0.65871993355306 0.34170200152597 18.998 > 1 2 F 0.14552854760353 0.15871993355306 0.15829799847403 18.998 > 2 3 F 0.14552854760353 0.34128006644694 0.65829799847403 18.998 > 3 4 F 0.85447145239647 0.84128006644694 0.84170200152597 18.998 > 4 *5 F 0.37679968125010 0.98623485736854 0.37924317192733 18.998 > 5 6 F 0.62320031874990 0.48623485736854 0.12075682807267 18.998 > 6 7 F 0.62320031874990 0.01376514263146 0.62075682807267 18.998 > 7 8 F 0.37679968125010 0.51376514263146 0.87924317192733 18.998 > 8 *9 F 0.05667076773004 0.61897474530600 0.01577852058378 18.998 > 9 10 F 0.94332923226996 0.11897474530600 0.48422147941622 18.998 > 10 11 F 0.94332923226996 0.38102525469400 0.98422147941622 18.998 > 11 12 F 0.05667076773004 0.88102525469400 0.51577852058378 18.998 > 12 *13 F 0.41066386455354 0.77551945503756 0.40333343476310 18.998 > 13 14 F 0.58933613544646 0.27551945503756 0.09666656523690 18.998 > 14 15 F 0.58933613544646 0.22448054496244 0.59666656523690 18.998 > 15 16 F 0.41066386455354 0.72448054496244 0.90333343476310 18.998 > 16 *17 F 0.24701528005249 0.90287155524506 0.72582756646894 18.998 > 17 18 F 0.75298471994751 0.40287155524506 0.77417243353106 18.998 > 18 19 F 0.75298471994751 0.09712844475494 0.27417243353106 18.998 > 19 20 F 0.24701528005249 0.59712844475494 0.22582756646894 18.998 > 20 *21 Br 0.12583897737859 0.87958830118113 0.12030078871969 79.904 > 21 22 Br 0.87416102262141 0.37958830118113 0.37969921128031 79.904 > 22 23 Br 0.87416102262141 0.12041169881887 0.87969921128031 79.904 > 23 24 Br 0.12583897737859 0.62041169881887 0.62030078871969 79.904 > 24 *25 Sn 0.93808543657063 0.87500947778810 0.34464607667411 118.710 > 25 26 Sn 0.06191456342937 0.37500947778810 0.15535392332589 118.710 > 26 27 Sn 0.06191456342937 0.12499052221190 0.65535392332589 118.710 > 27 28 Sn 0.93808543657063 0.62499052221190 0.84464607667411 118.710 > 28 *29 Sn 0.56584619892845 0.65741817802674 0.12846374421974 118.710 > 29 30 Sn 0.43415380107155 0.15741817802674 0.37153625578026 118.710 > 30 31 Sn 0.43415380107155 0.34258182197326 0.87153625578026 118.710 > 31 32 Sn 0.56584619892845 0.84258182197326 0.62846374421974 118.710 > 32 *33 Sn 0.42771864914197 0.59978058430790 0.40129005754372 118.710 > 33 34 Sn 0.57228135085803 0.09978058430790 0.09870994245628 118.710 > 34 35 Sn 0.57228135085803 0.40021941569210 0.59870994245628 118.710 > 35 36 Sn 0.42771864914197 0.90021941569210 0.90129005754372 118.710 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.505459081073869 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547971860000004 0.000000000000000 c -4.061034634362293 0.000000000000000 12.594389555589730 Atomic positions (fractional): *1 F 0.21361786309912 0.65871993355306 0.34170200152597 18.998 > 1 2 F 0.46361786309912 0.65871993355306 0.34170200152597 18.998 > 1 3 F 0.71361786309912 0.65871993355306 0.34170200152597 18.998 > 1 4 F 0.96361786309912 0.65871993355306 0.34170200152597 18.998 > 1 5 F 0.03638213690088 0.15871993355306 0.15829799847403 18.998 > 2 6 F 0.28638213690088 0.15871993355306 0.15829799847403 18.998 > 2 7 F 0.53638213690088 0.15871993355306 0.15829799847403 18.998 > 2 8 F 0.78638213690088 0.15871993355306 0.15829799847403 18.998 > 2 9 F 0.03638213690088 0.34128006644694 0.65829799847403 18.998 > 3 10 F 0.28638213690088 0.34128006644694 0.65829799847403 18.998 > 3 11 F 0.53638213690088 0.34128006644694 0.65829799847403 18.998 > 3 12 F 0.78638213690088 0.34128006644694 0.65829799847403 18.998 > 3 13 F 0.21361786309912 0.84128006644694 0.84170200152597 18.998 > 4 14 F 0.46361786309912 0.84128006644694 0.84170200152597 18.998 > 4 15 F 0.71361786309912 0.84128006644694 0.84170200152597 18.998 > 4 16 F 0.96361786309912 0.84128006644694 0.84170200152597 18.998 > 4 *17 F 0.09419992031252 0.98623485736854 0.37924317192733 18.998 > 5 18 F 0.34419992031252 0.98623485736854 0.37924317192733 18.998 > 5 19 F 0.59419992031252 0.98623485736854 0.37924317192733 18.998 > 5 20 F 0.84419992031252 0.98623485736854 0.37924317192733 18.998 > 5 21 F 0.15580007968748 0.48623485736854 0.12075682807267 18.998 > 6 22 F 0.40580007968748 0.48623485736854 0.12075682807267 18.998 > 6 23 F 0.65580007968748 0.48623485736854 0.12075682807267 18.998 > 6 24 F 0.90580007968748 0.48623485736854 0.12075682807267 18.998 > 6 25 F 0.15580007968748 0.01376514263146 0.62075682807267 18.998 > 7 26 F 0.40580007968748 0.01376514263146 0.62075682807267 18.998 > 7 27 F 0.65580007968748 0.01376514263146 0.62075682807267 18.998 > 7 28 F 0.90580007968748 0.01376514263146 0.62075682807267 18.998 > 7 29 F 0.09419992031252 0.51376514263146 0.87924317192733 18.998 > 8 30 F 0.34419992031252 0.51376514263146 0.87924317192733 18.998 > 8 31 F 0.59419992031252 0.51376514263146 0.87924317192733 18.998 > 8 32 F 0.84419992031252 0.51376514263146 0.87924317192733 18.998 > 8 *33 F 0.01416769193251 0.61897474530600 0.01577852058378 18.998 > 9 34 F 0.26416769193251 0.61897474530600 0.01577852058378 18.998 > 9 35 F 0.51416769193251 0.61897474530600 0.01577852058378 18.998 > 9 36 F 0.76416769193251 0.61897474530600 0.01577852058378 18.998 > 9 37 F 0.23583230806749 0.11897474530600 0.48422147941622 18.998 > 10 38 F 0.48583230806749 0.11897474530600 0.48422147941622 18.998 > 10 39 F 0.73583230806749 0.11897474530600 0.48422147941622 18.998 > 10 40 F 0.98583230806749 0.11897474530600 0.48422147941622 18.998 > 10 41 F 0.23583230806749 0.38102525469400 0.98422147941622 18.998 > 11 42 F 0.48583230806749 0.38102525469400 0.98422147941622 18.998 > 11 43 F 0.73583230806749 0.38102525469400 0.98422147941622 18.998 > 11 44 F 0.98583230806749 0.38102525469400 0.98422147941622 18.998 > 11 45 F 0.01416769193251 0.88102525469400 0.51577852058378 18.998 > 12 46 F 0.26416769193251 0.88102525469400 0.51577852058378 18.998 > 12 47 F 0.51416769193251 0.88102525469400 0.51577852058378 18.998 > 12 48 F 0.76416769193251 0.88102525469400 0.51577852058378 18.998 > 12 *49 F 0.10266596613838 0.77551945503756 0.40333343476310 18.998 > 13 50 F 0.35266596613838 0.77551945503756 0.40333343476310 18.998 > 13 51 F 0.60266596613838 0.77551945503756 0.40333343476310 18.998 > 13 52 F 0.85266596613838 0.77551945503756 0.40333343476310 18.998 > 13 53 F 0.14733403386162 0.27551945503756 0.09666656523690 18.998 > 14 54 F 0.39733403386162 0.27551945503756 0.09666656523690 18.998 > 14 55 F 0.64733403386162 0.27551945503756 0.09666656523690 18.998 > 14 56 F 0.89733403386162 0.27551945503756 0.09666656523690 18.998 > 14 57 F 0.14733403386162 0.22448054496244 0.59666656523690 18.998 > 15 58 F 0.39733403386162 0.22448054496244 0.59666656523690 18.998 > 15 59 F 0.64733403386162 0.22448054496244 0.59666656523690 18.998 > 15 60 F 0.89733403386162 0.22448054496244 0.59666656523690 18.998 > 15 61 F 0.10266596613838 0.72448054496244 0.90333343476310 18.998 > 16 62 F 0.35266596613838 0.72448054496244 0.90333343476310 18.998 > 16 63 F 0.60266596613838 0.72448054496244 0.90333343476310 18.998 > 16 64 F 0.85266596613838 0.72448054496244 0.90333343476310 18.998 > 16 *65 F 0.06175382001312 0.90287155524506 0.72582756646894 18.998 > 17 66 F 0.31175382001312 0.90287155524506 0.72582756646894 18.998 > 17 67 F 0.56175382001312 0.90287155524506 0.72582756646894 18.998 > 17 68 F 0.81175382001312 0.90287155524506 0.72582756646894 18.998 > 17 69 F 0.18824617998688 0.40287155524506 0.77417243353106 18.998 > 18 70 F 0.43824617998688 0.40287155524506 0.77417243353106 18.998 > 18 71 F 0.68824617998688 0.40287155524506 0.77417243353106 18.998 > 18 72 F 0.93824617998688 0.40287155524506 0.77417243353106 18.998 > 18 73 F 0.18824617998688 0.09712844475494 0.27417243353106 18.998 > 19 74 F 0.43824617998688 0.09712844475494 0.27417243353106 18.998 > 19 75 F 0.68824617998688 0.09712844475494 0.27417243353106 18.998 > 19 76 F 0.93824617998688 0.09712844475494 0.27417243353106 18.998 > 19 77 F 0.06175382001312 0.59712844475494 0.22582756646894 18.998 > 20 78 F 0.31175382001312 0.59712844475494 0.22582756646894 18.998 > 20 79 F 0.56175382001312 0.59712844475494 0.22582756646894 18.998 > 20 80 F 0.81175382001312 0.59712844475494 0.22582756646894 18.998 > 20 *81 Br 0.03145974434465 0.87958830118113 0.12030078871969 79.904 > 21 82 Br 0.28145974434465 0.87958830118113 0.12030078871969 79.904 > 21 83 Br 0.53145974434465 0.87958830118113 0.12030078871969 79.904 > 21 84 Br 0.78145974434465 0.87958830118113 0.12030078871969 79.904 > 21 85 Br 0.21854025565535 0.37958830118113 0.37969921128031 79.904 > 22 86 Br 0.46854025565535 0.37958830118113 0.37969921128031 79.904 > 22 87 Br 0.71854025565535 0.37958830118113 0.37969921128031 79.904 > 22 88 Br 0.96854025565535 0.37958830118113 0.37969921128031 79.904 > 22 89 Br 0.21854025565535 0.12041169881887 0.87969921128031 79.904 > 23 90 Br 0.46854025565535 0.12041169881887 0.87969921128031 79.904 > 23 91 Br 0.71854025565535 0.12041169881887 0.87969921128031 79.904 > 23 92 Br 0.96854025565535 0.12041169881887 0.87969921128031 79.904 > 23 93 Br 0.03145974434465 0.62041169881887 0.62030078871969 79.904 > 24 94 Br 0.28145974434465 0.62041169881887 0.62030078871969 79.904 > 24 95 Br 0.53145974434465 0.62041169881887 0.62030078871969 79.904 > 24 96 Br 0.78145974434465 0.62041169881887 0.62030078871969 79.904 > 24 *97 Sn 0.23452135914266 0.87500947778810 0.34464607667411 118.710 > 25 98 Sn 0.48452135914266 0.87500947778810 0.34464607667411 118.710 > 25 99 Sn 0.73452135914266 0.87500947778810 0.34464607667411 118.710 > 25 100 Sn 0.98452135914266 0.87500947778810 0.34464607667411 118.710 > 25 101 Sn 0.01547864085734 0.37500947778810 0.15535392332589 118.710 > 26 102 Sn 0.26547864085734 0.37500947778810 0.15535392332589 118.710 > 26 103 Sn 0.51547864085734 0.37500947778810 0.15535392332589 118.710 > 26 104 Sn 0.76547864085734 0.37500947778810 0.15535392332589 118.710 > 26 105 Sn 0.01547864085734 0.12499052221190 0.65535392332589 118.710 > 27 106 Sn 0.26547864085734 0.12499052221190 0.65535392332589 118.710 > 27 107 Sn 0.51547864085734 0.12499052221190 0.65535392332589 118.710 > 27 108 Sn 0.76547864085734 0.12499052221190 0.65535392332589 118.710 > 27 109 Sn 0.23452135914266 0.62499052221190 0.84464607667411 118.710 > 28 110 Sn 0.48452135914266 0.62499052221190 0.84464607667411 118.710 > 28 111 Sn 0.73452135914266 0.62499052221190 0.84464607667411 118.710 > 28 112 Sn 0.98452135914266 0.62499052221190 0.84464607667411 118.710 > 28 *113 Sn 0.14146154973211 0.65741817802674 0.12846374421974 118.710 > 29 114 Sn 0.39146154973211 0.65741817802674 0.12846374421974 118.710 > 29 115 Sn 0.64146154973211 0.65741817802674 0.12846374421974 118.710 > 29 116 Sn 0.89146154973211 0.65741817802674 0.12846374421974 118.710 > 29 117 Sn 0.10853845026789 0.15741817802674 0.37153625578026 118.710 > 30 118 Sn 0.35853845026789 0.15741817802674 0.37153625578026 118.710 > 30 119 Sn 0.60853845026789 0.15741817802674 0.37153625578026 118.710 > 30 120 Sn 0.85853845026789 0.15741817802674 0.37153625578026 118.710 > 30 121 Sn 0.10853845026789 0.34258182197326 0.87153625578026 118.710 > 31 122 Sn 0.35853845026789 0.34258182197326 0.87153625578026 118.710 > 31 123 Sn 0.60853845026789 0.34258182197326 0.87153625578026 118.710 > 31 124 Sn 0.85853845026789 0.34258182197326 0.87153625578026 118.710 > 31 125 Sn 0.14146154973211 0.84258182197326 0.62846374421974 118.710 > 32 126 Sn 0.39146154973211 0.84258182197326 0.62846374421974 118.710 > 32 127 Sn 0.64146154973211 0.84258182197326 0.62846374421974 118.710 > 32 128 Sn 0.89146154973211 0.84258182197326 0.62846374421974 118.710 > 32 *129 Sn 0.10692966228549 0.59978058430790 0.40129005754372 118.710 > 33 130 Sn 0.35692966228549 0.59978058430790 0.40129005754372 118.710 > 33 131 Sn 0.60692966228549 0.59978058430790 0.40129005754372 118.710 > 33 132 Sn 0.85692966228549 0.59978058430790 0.40129005754372 118.710 > 33 133 Sn 0.14307033771451 0.09978058430790 0.09870994245628 118.710 > 34 134 Sn 0.39307033771451 0.09978058430790 0.09870994245628 118.710 > 34 135 Sn 0.64307033771451 0.09978058430790 0.09870994245628 118.710 > 34 136 Sn 0.89307033771451 0.09978058430790 0.09870994245628 118.710 > 34 137 Sn 0.14307033771451 0.40021941569210 0.59870994245628 118.710 > 35 138 Sn 0.39307033771451 0.40021941569210 0.59870994245628 118.710 > 35 139 Sn 0.64307033771451 0.40021941569210 0.59870994245628 118.710 > 35 140 Sn 0.89307033771451 0.40021941569210 0.59870994245628 118.710 > 35 141 Sn 0.10692966228549 0.90021941569210 0.90129005754372 118.710 > 36 142 Sn 0.35692966228549 0.90021941569210 0.90129005754372 118.710 > 36 143 Sn 0.60692966228549 0.90021941569210 0.90129005754372 118.710 > 36 144 Sn 0.85692966228549 0.90021941569210 0.90129005754372 118.710 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7249378 0.0000000 -0.0728186 0.0000000 4.6461721 0.0000000 -0.0728349 0.0000000 4.6417316 -------------------------- Born effective charges -------------------------- 1 F -2.4468869 -0.2072377 -0.0169590 -0.1337024 -1.4663787 0.5307437 0.0077696 0.5249528 -1.5125310 2 F -2.4468869 0.2072377 -0.0169590 0.1337024 -1.4663787 -0.5307437 0.0077696 -0.5249528 -1.5125310 3 F -2.4468869 -0.2072377 -0.0169590 -0.1337024 -1.4663787 0.5307437 0.0077696 0.5249528 -1.5125310 4 F -2.4468869 0.2072377 -0.0169590 0.1337024 -1.4663787 -0.5307437 0.0077696 -0.5249528 -1.5125310 5 F -1.5440705 -0.6699055 -0.1183467 -0.6775179 -3.0011446 -0.1938590 -0.1124962 -0.3505852 -0.6684118 6 F -1.5440705 0.6699055 -0.1183467 0.6775179 -3.0011446 0.1938590 -0.1124962 0.3505852 -0.6684118 7 F -1.5440705 -0.6699055 -0.1183467 -0.6775179 -3.0011446 -0.1938590 -0.1124962 -0.3505852 -0.6684118 8 F -1.5440705 0.6699055 -0.1183467 0.6775179 -3.0011446 0.1938590 -0.1124962 0.3505852 -0.6684118 9 F -1.4032118 -0.1512063 -0.1310059 -0.1512193 -0.7026036 -0.3673332 -0.5341026 -0.2319438 -3.0095103 10 F -1.4032118 0.1512063 -0.1310059 0.1512193 -0.7026036 0.3673332 -0.5341026 0.2319438 -3.0095103 11 F -1.4032118 -0.1512063 -0.1310059 -0.1512193 -0.7026036 -0.3673332 -0.5341026 -0.2319438 -3.0095103 12 F -1.4032118 0.1512063 -0.1310059 0.1512193 -0.7026036 0.3673332 -0.5341026 0.2319438 -3.0095103 13 F -1.5480311 0.3608910 -0.1521996 0.4685290 -2.6072491 0.4625077 -0.1901065 0.4896458 -1.1231467 14 F -1.5480311 -0.3608910 -0.1521996 -0.4685290 -2.6072491 -0.4625077 -0.1901065 -0.4896458 -1.1231467 15 F -1.5480311 0.3608910 -0.1521996 0.4685290 -2.6072491 0.4625077 -0.1901065 0.4896458 -1.1231467 16 F -1.5480311 -0.3608910 -0.1521996 -0.4685290 -2.6072491 -0.4625077 -0.1901065 -0.4896458 -1.1231467 17 F -1.5912114 0.3180556 0.2968361 0.2887917 -1.1354830 -0.4979401 0.3930278 -0.4560701 -2.5834503 18 F -1.5912114 -0.3180556 0.2968361 -0.2887917 -1.1354830 0.4979401 0.3930278 0.4560701 -2.5834503 19 F -1.5912114 0.3180556 0.2968361 0.2887917 -1.1354830 -0.4979401 0.3930278 -0.4560701 -2.5834503 20 F -1.5912114 -0.3180556 0.2968361 -0.2887917 -1.1354830 0.4979401 0.3930278 0.4560701 -2.5834503 21 Br -1.9930724 0.1113802 0.1151598 0.1039053 -1.7203677 0.3399604 0.1643314 0.3366840 -1.7293315 22 Br -1.9930724 -0.1113802 0.1151598 -0.1039053 -1.7203677 -0.3399604 0.1643314 -0.3366840 -1.7293315 23 Br -1.9930724 0.1113802 0.1151598 0.1039053 -1.7203677 0.3399604 0.1643314 0.3366840 -1.7293315 24 Br -1.9930724 -0.1113802 0.1151598 -0.1039053 -1.7203677 -0.3399604 0.1643314 -0.3366840 -1.7293315 25 Sn 3.3974649 0.1572377 -0.0136705 0.1842225 3.2335851 -0.4642351 0.0824299 -0.3295936 3.9633905 26 Sn 3.3974649 -0.1572377 -0.0136705 -0.1842225 3.2335851 0.4642351 0.0824299 0.3295936 3.9633905 27 Sn 3.3974649 0.1572377 -0.0136705 0.1842225 3.2335851 -0.4642351 0.0824299 -0.3295936 3.9633905 28 Sn 3.3974649 -0.1572377 -0.0136705 -0.1842225 3.2335851 0.4642351 0.0824299 0.3295936 3.9633905 29 Sn 3.3521394 -0.1079213 0.0670047 0.1013668 3.9749699 -0.3286704 0.2206105 -0.4601229 3.2378132 30 Sn 3.3521394 0.1079213 0.0670047 -0.1013668 3.9749699 0.3286704 0.2206105 0.4601229 3.2378132 31 Sn 3.3521394 -0.1079213 0.0670047 0.1013668 3.9749699 -0.3286704 0.2206105 -0.4601229 3.2378132 32 Sn 3.3521394 0.1079213 0.0670047 -0.1013668 3.9749699 0.3286704 0.2206105 0.4601229 3.2378132 33 Sn 3.7768799 -0.1124401 -0.0468190 -0.0441829 3.4246717 -0.4746812 -0.0314640 -0.4723091 3.4251780 34 Sn 3.7768799 0.1124401 -0.0468190 0.0441829 3.4246717 0.4746812 -0.0314640 0.4723091 3.4251780 35 Sn 3.7768799 -0.1124401 -0.0468190 -0.0441829 3.4246717 -0.4746812 -0.0314640 -0.4723091 3.4251780 36 Sn 3.7768799 0.1124401 -0.0468190 0.0441829 3.4246717 0.4746812 -0.0314640 0.4723091 3.4251780 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.644 Solver_block: 200 / 1120 - Time: 2.035 Solver_block: 300 / 1120 - Time: 1.973 Solver_block: 400 / 1120 - Time: 3.265 Solver_block: 500 / 1120 - Time: 2.542 Solver_block: 600 / 1120 - Time: 2.481 Solver_block: 700 / 1120 - Time: 1.888 Solver_block: 800 / 1120 - Time: 2.020 Solver_block: 900 / 1120 - Time: 2.465 Solver_block: 1000 / 1120 - Time: 2.658 Solver_block: 1100 / 1120 - Time: 2.360 Solver_block: 1120 / 1120 - Time: 0.875 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.173 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:29:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:29:09]------------------------- 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): [4 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.126364770268467 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547971860000004 0.000000000000000 c -4.061034634362293 0.000000000000000 12.594389555589730 Atomic positions (fractional): 1 F 0.85447145239647 0.65871993355306 0.34170200152597 18.998 2 F 0.14552854760353 0.15871993355306 0.15829799847403 18.998 3 F 0.14552854760353 0.34128006644694 0.65829799847403 18.998 4 F 0.85447145239647 0.84128006644694 0.84170200152597 18.998 5 F 0.37679968125010 0.98623485736854 0.37924317192733 18.998 6 F 0.62320031874990 0.48623485736854 0.12075682807267 18.998 7 F 0.62320031874990 0.01376514263146 0.62075682807267 18.998 8 F 0.37679968125010 0.51376514263146 0.87924317192733 18.998 9 F 0.05667076773004 0.61897474530600 0.01577852058378 18.998 10 F 0.94332923226996 0.11897474530600 0.48422147941622 18.998 11 F 0.94332923226996 0.38102525469400 0.98422147941622 18.998 12 F 0.05667076773004 0.88102525469400 0.51577852058378 18.998 13 F 0.41066386455354 0.77551945503756 0.40333343476310 18.998 14 F 0.58933613544646 0.27551945503756 0.09666656523690 18.998 15 F 0.58933613544646 0.22448054496244 0.59666656523690 18.998 16 F 0.41066386455354 0.72448054496244 0.90333343476310 18.998 17 F 0.24701528005249 0.90287155524506 0.72582756646894 18.998 18 F 0.75298471994751 0.40287155524506 0.77417243353106 18.998 19 F 0.75298471994751 0.09712844475494 0.27417243353106 18.998 20 F 0.24701528005249 0.59712844475494 0.22582756646894 18.998 21 Br 0.12583897737859 0.87958830118113 0.12030078871969 79.904 22 Br 0.87416102262141 0.37958830118113 0.37969921128031 79.904 23 Br 0.87416102262141 0.12041169881887 0.87969921128031 79.904 24 Br 0.12583897737859 0.62041169881887 0.62030078871969 79.904 25 Sn 0.93808543657063 0.87500947778810 0.34464607667411 118.710 26 Sn 0.06191456342937 0.37500947778810 0.15535392332589 118.710 27 Sn 0.06191456342937 0.12499052221190 0.65535392332589 118.710 28 Sn 0.93808543657063 0.62499052221190 0.84464607667411 118.710 29 Sn 0.56584619892845 0.65741817802674 0.12846374421974 118.710 30 Sn 0.43415380107155 0.15741817802674 0.37153625578026 118.710 31 Sn 0.43415380107155 0.34258182197326 0.87153625578026 118.710 32 Sn 0.56584619892845 0.84258182197326 0.62846374421974 118.710 33 Sn 0.42771864914197 0.59978058430790 0.40129005754372 118.710 34 Sn 0.57228135085803 0.09978058430790 0.09870994245628 118.710 35 Sn 0.57228135085803 0.40021941569210 0.59870994245628 118.710 36 Sn 0.42771864914197 0.90021941569210 0.90129005754372 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.505459081073869 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547971860000004 0.000000000000000 c -4.061034634362293 0.000000000000000 12.594389555589730 Atomic positions (fractional): 1 F 0.21361786309912 0.65871993355306 0.34170200152597 18.998 > 1 2 F 0.46361786309912 0.65871993355306 0.34170200152597 18.998 > 1 3 F 0.71361786309912 0.65871993355306 0.34170200152597 18.998 > 1 4 F 0.96361786309912 0.65871993355306 0.34170200152597 18.998 > 1 5 F 0.03638213690088 0.15871993355306 0.15829799847403 18.998 > 5 6 F 0.28638213690088 0.15871993355306 0.15829799847403 18.998 > 5 7 F 0.53638213690088 0.15871993355306 0.15829799847403 18.998 > 5 8 F 0.78638213690088 0.15871993355306 0.15829799847403 18.998 > 5 9 F 0.03638213690088 0.34128006644694 0.65829799847403 18.998 > 9 10 F 0.28638213690088 0.34128006644694 0.65829799847403 18.998 > 9 11 F 0.53638213690088 0.34128006644694 0.65829799847403 18.998 > 9 12 F 0.78638213690088 0.34128006644694 0.65829799847403 18.998 > 9 13 F 0.21361786309912 0.84128006644694 0.84170200152597 18.998 > 13 14 F 0.46361786309912 0.84128006644694 0.84170200152597 18.998 > 13 15 F 0.71361786309912 0.84128006644694 0.84170200152597 18.998 > 13 16 F 0.96361786309912 0.84128006644694 0.84170200152597 18.998 > 13 17 F 0.09419992031252 0.98623485736854 0.37924317192733 18.998 > 17 18 F 0.34419992031252 0.98623485736854 0.37924317192733 18.998 > 17 19 F 0.59419992031252 0.98623485736854 0.37924317192733 18.998 > 17 20 F 0.84419992031252 0.98623485736854 0.37924317192733 18.998 > 17 21 F 0.15580007968748 0.48623485736854 0.12075682807267 18.998 > 21 22 F 0.40580007968748 0.48623485736854 0.12075682807267 18.998 > 21 23 F 0.65580007968748 0.48623485736854 0.12075682807267 18.998 > 21 24 F 0.90580007968748 0.48623485736854 0.12075682807267 18.998 > 21 25 F 0.15580007968748 0.01376514263146 0.62075682807267 18.998 > 25 26 F 0.40580007968748 0.01376514263146 0.62075682807267 18.998 > 25 27 F 0.65580007968748 0.01376514263146 0.62075682807267 18.998 > 25 28 F 0.90580007968748 0.01376514263146 0.62075682807267 18.998 > 25 29 F 0.09419992031252 0.51376514263146 0.87924317192733 18.998 > 29 30 F 0.34419992031252 0.51376514263146 0.87924317192733 18.998 > 29 31 F 0.59419992031252 0.51376514263146 0.87924317192733 18.998 > 29 32 F 0.84419992031252 0.51376514263146 0.87924317192733 18.998 > 29 33 F 0.01416769193251 0.61897474530600 0.01577852058378 18.998 > 33 34 F 0.26416769193251 0.61897474530600 0.01577852058378 18.998 > 33 35 F 0.51416769193251 0.61897474530600 0.01577852058378 18.998 > 33 36 F 0.76416769193251 0.61897474530600 0.01577852058378 18.998 > 33 37 F 0.23583230806749 0.11897474530600 0.48422147941622 18.998 > 37 38 F 0.48583230806749 0.11897474530600 0.48422147941622 18.998 > 37 39 F 0.73583230806749 0.11897474530600 0.48422147941622 18.998 > 37 40 F 0.98583230806749 0.11897474530600 0.48422147941622 18.998 > 37 41 F 0.23583230806749 0.38102525469400 0.98422147941622 18.998 > 41 42 F 0.48583230806749 0.38102525469400 0.98422147941622 18.998 > 41 43 F 0.73583230806749 0.38102525469400 0.98422147941622 18.998 > 41 44 F 0.98583230806749 0.38102525469400 0.98422147941622 18.998 > 41 45 F 0.01416769193251 0.88102525469400 0.51577852058378 18.998 > 45 46 F 0.26416769193251 0.88102525469400 0.51577852058378 18.998 > 45 47 F 0.51416769193251 0.88102525469400 0.51577852058378 18.998 > 45 48 F 0.76416769193251 0.88102525469400 0.51577852058378 18.998 > 45 49 F 0.10266596613838 0.77551945503756 0.40333343476310 18.998 > 49 50 F 0.35266596613838 0.77551945503756 0.40333343476310 18.998 > 49 51 F 0.60266596613838 0.77551945503756 0.40333343476310 18.998 > 49 52 F 0.85266596613838 0.77551945503756 0.40333343476310 18.998 > 49 53 F 0.14733403386162 0.27551945503756 0.09666656523690 18.998 > 53 54 F 0.39733403386162 0.27551945503756 0.09666656523690 18.998 > 53 55 F 0.64733403386162 0.27551945503756 0.09666656523690 18.998 > 53 56 F 0.89733403386162 0.27551945503756 0.09666656523690 18.998 > 53 57 F 0.14733403386162 0.22448054496244 0.59666656523690 18.998 > 57 58 F 0.39733403386162 0.22448054496244 0.59666656523690 18.998 > 57 59 F 0.64733403386162 0.22448054496244 0.59666656523690 18.998 > 57 60 F 0.89733403386162 0.22448054496244 0.59666656523690 18.998 > 57 61 F 0.10266596613838 0.72448054496244 0.90333343476310 18.998 > 61 62 F 0.35266596613838 0.72448054496244 0.90333343476310 18.998 > 61 63 F 0.60266596613838 0.72448054496244 0.90333343476310 18.998 > 61 64 F 0.85266596613838 0.72448054496244 0.90333343476310 18.998 > 61 65 F 0.06175382001312 0.90287155524506 0.72582756646894 18.998 > 65 66 F 0.31175382001312 0.90287155524506 0.72582756646894 18.998 > 65 67 F 0.56175382001312 0.90287155524506 0.72582756646894 18.998 > 65 68 F 0.81175382001312 0.90287155524506 0.72582756646894 18.998 > 65 69 F 0.18824617998688 0.40287155524506 0.77417243353106 18.998 > 69 70 F 0.43824617998688 0.40287155524506 0.77417243353106 18.998 > 69 71 F 0.68824617998688 0.40287155524506 0.77417243353106 18.998 > 69 72 F 0.93824617998688 0.40287155524506 0.77417243353106 18.998 > 69 73 F 0.18824617998688 0.09712844475494 0.27417243353106 18.998 > 73 74 F 0.43824617998688 0.09712844475494 0.27417243353106 18.998 > 73 75 F 0.68824617998688 0.09712844475494 0.27417243353106 18.998 > 73 76 F 0.93824617998688 0.09712844475494 0.27417243353106 18.998 > 73 77 F 0.06175382001312 0.59712844475494 0.22582756646894 18.998 > 77 78 F 0.31175382001312 0.59712844475494 0.22582756646894 18.998 > 77 79 F 0.56175382001312 0.59712844475494 0.22582756646894 18.998 > 77 80 F 0.81175382001312 0.59712844475494 0.22582756646894 18.998 > 77 81 Br 0.03145974434465 0.87958830118113 0.12030078871969 79.904 > 81 82 Br 0.28145974434465 0.87958830118113 0.12030078871969 79.904 > 81 83 Br 0.53145974434465 0.87958830118113 0.12030078871969 79.904 > 81 84 Br 0.78145974434465 0.87958830118113 0.12030078871969 79.904 > 81 85 Br 0.21854025565535 0.37958830118113 0.37969921128031 79.904 > 85 86 Br 0.46854025565535 0.37958830118113 0.37969921128031 79.904 > 85 87 Br 0.71854025565535 0.37958830118113 0.37969921128031 79.904 > 85 88 Br 0.96854025565535 0.37958830118113 0.37969921128031 79.904 > 85 89 Br 0.21854025565535 0.12041169881887 0.87969921128031 79.904 > 89 90 Br 0.46854025565535 0.12041169881887 0.87969921128031 79.904 > 89 91 Br 0.71854025565535 0.12041169881887 0.87969921128031 79.904 > 89 92 Br 0.96854025565535 0.12041169881887 0.87969921128031 79.904 > 89 93 Br 0.03145974434465 0.62041169881887 0.62030078871969 79.904 > 93 94 Br 0.28145974434465 0.62041169881887 0.62030078871969 79.904 > 93 95 Br 0.53145974434465 0.62041169881887 0.62030078871969 79.904 > 93 96 Br 0.78145974434465 0.62041169881887 0.62030078871969 79.904 > 93 97 Sn 0.23452135914266 0.87500947778810 0.34464607667411 118.710 > 97 98 Sn 0.48452135914266 0.87500947778810 0.34464607667411 118.710 > 97 99 Sn 0.73452135914266 0.87500947778810 0.34464607667411 118.710 > 97 100 Sn 0.98452135914266 0.87500947778810 0.34464607667411 118.710 > 97 101 Sn 0.01547864085734 0.37500947778810 0.15535392332589 118.710 > 101 102 Sn 0.26547864085734 0.37500947778810 0.15535392332589 118.710 > 101 103 Sn 0.51547864085734 0.37500947778810 0.15535392332589 118.710 > 101 104 Sn 0.76547864085734 0.37500947778810 0.15535392332589 118.710 > 101 105 Sn 0.01547864085734 0.12499052221190 0.65535392332589 118.710 > 105 106 Sn 0.26547864085734 0.12499052221190 0.65535392332589 118.710 > 105 107 Sn 0.51547864085734 0.12499052221190 0.65535392332589 118.710 > 105 108 Sn 0.76547864085734 0.12499052221190 0.65535392332589 118.710 > 105 109 Sn 0.23452135914266 0.62499052221190 0.84464607667411 118.710 > 109 110 Sn 0.48452135914266 0.62499052221190 0.84464607667411 118.710 > 109 111 Sn 0.73452135914266 0.62499052221190 0.84464607667411 118.710 > 109 112 Sn 0.98452135914266 0.62499052221190 0.84464607667411 118.710 > 109 113 Sn 0.14146154973211 0.65741817802674 0.12846374421974 118.710 > 113 114 Sn 0.39146154973211 0.65741817802674 0.12846374421974 118.710 > 113 115 Sn 0.64146154973211 0.65741817802674 0.12846374421974 118.710 > 113 116 Sn 0.89146154973211 0.65741817802674 0.12846374421974 118.710 > 113 117 Sn 0.10853845026789 0.15741817802674 0.37153625578026 118.710 > 117 118 Sn 0.35853845026789 0.15741817802674 0.37153625578026 118.710 > 117 119 Sn 0.60853845026789 0.15741817802674 0.37153625578026 118.710 > 117 120 Sn 0.85853845026789 0.15741817802674 0.37153625578026 118.710 > 117 121 Sn 0.10853845026789 0.34258182197326 0.87153625578026 118.710 > 121 122 Sn 0.35853845026789 0.34258182197326 0.87153625578026 118.710 > 121 123 Sn 0.60853845026789 0.34258182197326 0.87153625578026 118.710 > 121 124 Sn 0.85853845026789 0.34258182197326 0.87153625578026 118.710 > 121 125 Sn 0.14146154973211 0.84258182197326 0.62846374421974 118.710 > 125 126 Sn 0.39146154973211 0.84258182197326 0.62846374421974 118.710 > 125 127 Sn 0.64146154973211 0.84258182197326 0.62846374421974 118.710 > 125 128 Sn 0.89146154973211 0.84258182197326 0.62846374421974 118.710 > 125 129 Sn 0.10692966228549 0.59978058430790 0.40129005754372 118.710 > 129 130 Sn 0.35692966228549 0.59978058430790 0.40129005754372 118.710 > 129 131 Sn 0.60692966228549 0.59978058430790 0.40129005754372 118.710 > 129 132 Sn 0.85692966228549 0.59978058430790 0.40129005754372 118.710 > 129 133 Sn 0.14307033771451 0.09978058430790 0.09870994245628 118.710 > 133 134 Sn 0.39307033771451 0.09978058430790 0.09870994245628 118.710 > 133 135 Sn 0.64307033771451 0.09978058430790 0.09870994245628 118.710 > 133 136 Sn 0.89307033771451 0.09978058430790 0.09870994245628 118.710 > 133 137 Sn 0.14307033771451 0.40021941569210 0.59870994245628 118.710 > 137 138 Sn 0.39307033771451 0.40021941569210 0.59870994245628 118.710 > 137 139 Sn 0.64307033771451 0.40021941569210 0.59870994245628 118.710 > 137 140 Sn 0.89307033771451 0.40021941569210 0.59870994245628 118.710 > 137 141 Sn 0.10692966228549 0.90021941569210 0.90129005754372 118.710 > 141 142 Sn 0.35692966228549 0.90021941569210 0.90129005754372 118.710 > 141 143 Sn 0.60692966228549 0.90021941569210 0.90129005754372 118.710 > 141 144 Sn 0.85692966228549 0.90021941569210 0.90129005754372 118.710 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7249378 0.0000000 -0.0728186 0.0000000 4.6461721 0.0000000 -0.0728349 0.0000000 4.6417316 -------------------------- Born effective charges -------------------------- 1 F -2.4468869 -0.2072377 -0.0169590 -0.1337024 -1.4663787 0.5307437 0.0077696 0.5249528 -1.5125310 2 F -2.4468869 0.2072377 -0.0169590 0.1337024 -1.4663787 -0.5307437 0.0077696 -0.5249528 -1.5125310 3 F -2.4468869 -0.2072377 -0.0169590 -0.1337024 -1.4663787 0.5307437 0.0077696 0.5249528 -1.5125310 4 F -2.4468869 0.2072377 -0.0169590 0.1337024 -1.4663787 -0.5307437 0.0077696 -0.5249528 -1.5125310 5 F -1.5440705 -0.6699055 -0.1183467 -0.6775179 -3.0011446 -0.1938590 -0.1124962 -0.3505852 -0.6684118 6 F -1.5440705 0.6699055 -0.1183467 0.6775179 -3.0011446 0.1938590 -0.1124962 0.3505852 -0.6684118 7 F -1.5440705 -0.6699055 -0.1183467 -0.6775179 -3.0011446 -0.1938590 -0.1124962 -0.3505852 -0.6684118 8 F -1.5440705 0.6699055 -0.1183467 0.6775179 -3.0011446 0.1938590 -0.1124962 0.3505852 -0.6684118 9 F -1.4032118 -0.1512063 -0.1310059 -0.1512193 -0.7026036 -0.3673332 -0.5341026 -0.2319438 -3.0095103 10 F -1.4032118 0.1512063 -0.1310059 0.1512193 -0.7026036 0.3673332 -0.5341026 0.2319438 -3.0095103 11 F -1.4032118 -0.1512063 -0.1310059 -0.1512193 -0.7026036 -0.3673332 -0.5341026 -0.2319438 -3.0095103 12 F -1.4032118 0.1512063 -0.1310059 0.1512193 -0.7026036 0.3673332 -0.5341026 0.2319438 -3.0095103 13 F -1.5480311 0.3608910 -0.1521996 0.4685290 -2.6072491 0.4625077 -0.1901065 0.4896458 -1.1231467 14 F -1.5480311 -0.3608910 -0.1521996 -0.4685290 -2.6072491 -0.4625077 -0.1901065 -0.4896458 -1.1231467 15 F -1.5480311 0.3608910 -0.1521996 0.4685290 -2.6072491 0.4625077 -0.1901065 0.4896458 -1.1231467 16 F -1.5480311 -0.3608910 -0.1521996 -0.4685290 -2.6072491 -0.4625077 -0.1901065 -0.4896458 -1.1231467 17 F -1.5912114 0.3180556 0.2968361 0.2887917 -1.1354830 -0.4979401 0.3930278 -0.4560701 -2.5834503 18 F -1.5912114 -0.3180556 0.2968361 -0.2887917 -1.1354830 0.4979401 0.3930278 0.4560701 -2.5834503 19 F -1.5912114 0.3180556 0.2968361 0.2887917 -1.1354830 -0.4979401 0.3930278 -0.4560701 -2.5834503 20 F -1.5912114 -0.3180556 0.2968361 -0.2887917 -1.1354830 0.4979401 0.3930278 0.4560701 -2.5834503 21 Br -1.9930724 0.1113802 0.1151598 0.1039053 -1.7203677 0.3399604 0.1643314 0.3366840 -1.7293315 22 Br -1.9930724 -0.1113802 0.1151598 -0.1039053 -1.7203677 -0.3399604 0.1643314 -0.3366840 -1.7293315 23 Br -1.9930724 0.1113802 0.1151598 0.1039053 -1.7203677 0.3399604 0.1643314 0.3366840 -1.7293315 24 Br -1.9930724 -0.1113802 0.1151598 -0.1039053 -1.7203677 -0.3399604 0.1643314 -0.3366840 -1.7293315 25 Sn 3.3974649 0.1572377 -0.0136705 0.1842225 3.2335851 -0.4642351 0.0824299 -0.3295936 3.9633905 26 Sn 3.3974649 -0.1572377 -0.0136705 -0.1842225 3.2335851 0.4642351 0.0824299 0.3295936 3.9633905 27 Sn 3.3974649 0.1572377 -0.0136705 0.1842225 3.2335851 -0.4642351 0.0824299 -0.3295936 3.9633905 28 Sn 3.3974649 -0.1572377 -0.0136705 -0.1842225 3.2335851 0.4642351 0.0824299 0.3295936 3.9633905 29 Sn 3.3521394 -0.1079213 0.0670047 0.1013668 3.9749699 -0.3286704 0.2206105 -0.4601229 3.2378132 30 Sn 3.3521394 0.1079213 0.0670047 -0.1013668 3.9749699 0.3286704 0.2206105 0.4601229 3.2378132 31 Sn 3.3521394 -0.1079213 0.0670047 0.1013668 3.9749699 -0.3286704 0.2206105 -0.4601229 3.2378132 32 Sn 3.3521394 0.1079213 0.0670047 -0.1013668 3.9749699 0.3286704 0.2206105 0.4601229 3.2378132 33 Sn 3.7768799 -0.1124401 -0.0468190 -0.0441829 3.4246717 -0.4746812 -0.0314640 -0.4723091 3.4251780 34 Sn 3.7768799 0.1124401 -0.0468190 0.0441829 3.4246717 0.4746812 -0.0314640 0.4723091 3.4251780 35 Sn 3.7768799 -0.1124401 -0.0468190 -0.0441829 3.4246717 -0.4746812 -0.0314640 -0.4723091 3.4251780 36 Sn 3.7768799 0.1124401 -0.0468190 0.0441829 3.4246717 0.4746812 -0.0314640 0.4723091 3.4251780 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 129, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:30:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:30:13]------------------------- 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): [4 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.126364770268467 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547971860000004 0.000000000000000 c -4.061034634362293 0.000000000000000 12.594389555589730 Atomic positions (fractional): 1 F 0.85447145239647 0.65871993355306 0.34170200152597 18.998 2 F 0.14552854760353 0.15871993355306 0.15829799847403 18.998 3 F 0.14552854760353 0.34128006644694 0.65829799847403 18.998 4 F 0.85447145239647 0.84128006644694 0.84170200152597 18.998 5 F 0.37679968125010 0.98623485736854 0.37924317192733 18.998 6 F 0.62320031874990 0.48623485736854 0.12075682807267 18.998 7 F 0.62320031874990 0.01376514263146 0.62075682807267 18.998 8 F 0.37679968125010 0.51376514263146 0.87924317192733 18.998 9 F 0.05667076773004 0.61897474530600 0.01577852058378 18.998 10 F 0.94332923226996 0.11897474530600 0.48422147941622 18.998 11 F 0.94332923226996 0.38102525469400 0.98422147941622 18.998 12 F 0.05667076773004 0.88102525469400 0.51577852058378 18.998 13 F 0.41066386455354 0.77551945503756 0.40333343476310 18.998 14 F 0.58933613544646 0.27551945503756 0.09666656523690 18.998 15 F 0.58933613544646 0.22448054496244 0.59666656523690 18.998 16 F 0.41066386455354 0.72448054496244 0.90333343476310 18.998 17 F 0.24701528005249 0.90287155524506 0.72582756646894 18.998 18 F 0.75298471994751 0.40287155524506 0.77417243353106 18.998 19 F 0.75298471994751 0.09712844475494 0.27417243353106 18.998 20 F 0.24701528005249 0.59712844475494 0.22582756646894 18.998 21 Br 0.12583897737859 0.87958830118113 0.12030078871969 79.904 22 Br 0.87416102262141 0.37958830118113 0.37969921128031 79.904 23 Br 0.87416102262141 0.12041169881887 0.87969921128031 79.904 24 Br 0.12583897737859 0.62041169881887 0.62030078871969 79.904 25 Sn 0.93808543657063 0.87500947778810 0.34464607667411 118.710 26 Sn 0.06191456342937 0.37500947778810 0.15535392332589 118.710 27 Sn 0.06191456342937 0.12499052221190 0.65535392332589 118.710 28 Sn 0.93808543657063 0.62499052221190 0.84464607667411 118.710 29 Sn 0.56584619892845 0.65741817802674 0.12846374421974 118.710 30 Sn 0.43415380107155 0.15741817802674 0.37153625578026 118.710 31 Sn 0.43415380107155 0.34258182197326 0.87153625578026 118.710 32 Sn 0.56584619892845 0.84258182197326 0.62846374421974 118.710 33 Sn 0.42771864914197 0.59978058430790 0.40129005754372 118.710 34 Sn 0.57228135085803 0.09978058430790 0.09870994245628 118.710 35 Sn 0.57228135085803 0.40021941569210 0.59870994245628 118.710 36 Sn 0.42771864914197 0.90021941569210 0.90129005754372 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.505459081073869 0.000000000000000 0.000000000000000 b 0.000000000000000 12.547971860000004 0.000000000000000 c -4.061034634362293 0.000000000000000 12.594389555589730 Atomic positions (fractional): 1 F 0.21361786309912 0.65871993355306 0.34170200152597 18.998 > 1 2 F 0.46361786309912 0.65871993355306 0.34170200152597 18.998 > 1 3 F 0.71361786309912 0.65871993355306 0.34170200152597 18.998 > 1 4 F 0.96361786309912 0.65871993355306 0.34170200152597 18.998 > 1 5 F 0.03638213690088 0.15871993355306 0.15829799847403 18.998 > 5 6 F 0.28638213690088 0.15871993355306 0.15829799847403 18.998 > 5 7 F 0.53638213690088 0.15871993355306 0.15829799847403 18.998 > 5 8 F 0.78638213690088 0.15871993355306 0.15829799847403 18.998 > 5 9 F 0.03638213690088 0.34128006644694 0.65829799847403 18.998 > 9 10 F 0.28638213690088 0.34128006644694 0.65829799847403 18.998 > 9 11 F 0.53638213690088 0.34128006644694 0.65829799847403 18.998 > 9 12 F 0.78638213690088 0.34128006644694 0.65829799847403 18.998 > 9 13 F 0.21361786309912 0.84128006644694 0.84170200152597 18.998 > 13 14 F 0.46361786309912 0.84128006644694 0.84170200152597 18.998 > 13 15 F 0.71361786309912 0.84128006644694 0.84170200152597 18.998 > 13 16 F 0.96361786309912 0.84128006644694 0.84170200152597 18.998 > 13 17 F 0.09419992031252 0.98623485736854 0.37924317192733 18.998 > 17 18 F 0.34419992031252 0.98623485736854 0.37924317192733 18.998 > 17 19 F 0.59419992031252 0.98623485736854 0.37924317192733 18.998 > 17 20 F 0.84419992031252 0.98623485736854 0.37924317192733 18.998 > 17 21 F 0.15580007968748 0.48623485736854 0.12075682807267 18.998 > 21 22 F 0.40580007968748 0.48623485736854 0.12075682807267 18.998 > 21 23 F 0.65580007968748 0.48623485736854 0.12075682807267 18.998 > 21 24 F 0.90580007968748 0.48623485736854 0.12075682807267 18.998 > 21 25 F 0.15580007968748 0.01376514263146 0.62075682807267 18.998 > 25 26 F 0.40580007968748 0.01376514263146 0.62075682807267 18.998 > 25 27 F 0.65580007968748 0.01376514263146 0.62075682807267 18.998 > 25 28 F 0.90580007968748 0.01376514263146 0.62075682807267 18.998 > 25 29 F 0.09419992031252 0.51376514263146 0.87924317192733 18.998 > 29 30 F 0.34419992031252 0.51376514263146 0.87924317192733 18.998 > 29 31 F 0.59419992031252 0.51376514263146 0.87924317192733 18.998 > 29 32 F 0.84419992031252 0.51376514263146 0.87924317192733 18.998 > 29 33 F 0.01416769193251 0.61897474530600 0.01577852058378 18.998 > 33 34 F 0.26416769193251 0.61897474530600 0.01577852058378 18.998 > 33 35 F 0.51416769193251 0.61897474530600 0.01577852058378 18.998 > 33 36 F 0.76416769193251 0.61897474530600 0.01577852058378 18.998 > 33 37 F 0.23583230806749 0.11897474530600 0.48422147941622 18.998 > 37 38 F 0.48583230806749 0.11897474530600 0.48422147941622 18.998 > 37 39 F 0.73583230806749 0.11897474530600 0.48422147941622 18.998 > 37 40 F 0.98583230806749 0.11897474530600 0.48422147941622 18.998 > 37 41 F 0.23583230806749 0.38102525469400 0.98422147941622 18.998 > 41 42 F 0.48583230806749 0.38102525469400 0.98422147941622 18.998 > 41 43 F 0.73583230806749 0.38102525469400 0.98422147941622 18.998 > 41 44 F 0.98583230806749 0.38102525469400 0.98422147941622 18.998 > 41 45 F 0.01416769193251 0.88102525469400 0.51577852058378 18.998 > 45 46 F 0.26416769193251 0.88102525469400 0.51577852058378 18.998 > 45 47 F 0.51416769193251 0.88102525469400 0.51577852058378 18.998 > 45 48 F 0.76416769193251 0.88102525469400 0.51577852058378 18.998 > 45 49 F 0.10266596613838 0.77551945503756 0.40333343476310 18.998 > 49 50 F 0.35266596613838 0.77551945503756 0.40333343476310 18.998 > 49 51 F 0.60266596613838 0.77551945503756 0.40333343476310 18.998 > 49 52 F 0.85266596613838 0.77551945503756 0.40333343476310 18.998 > 49 53 F 0.14733403386162 0.27551945503756 0.09666656523690 18.998 > 53 54 F 0.39733403386162 0.27551945503756 0.09666656523690 18.998 > 53 55 F 0.64733403386162 0.27551945503756 0.09666656523690 18.998 > 53 56 F 0.89733403386162 0.27551945503756 0.09666656523690 18.998 > 53 57 F 0.14733403386162 0.22448054496244 0.59666656523690 18.998 > 57 58 F 0.39733403386162 0.22448054496244 0.59666656523690 18.998 > 57 59 F 0.64733403386162 0.22448054496244 0.59666656523690 18.998 > 57 60 F 0.89733403386162 0.22448054496244 0.59666656523690 18.998 > 57 61 F 0.10266596613838 0.72448054496244 0.90333343476310 18.998 > 61 62 F 0.35266596613838 0.72448054496244 0.90333343476310 18.998 > 61 63 F 0.60266596613838 0.72448054496244 0.90333343476310 18.998 > 61 64 F 0.85266596613838 0.72448054496244 0.90333343476310 18.998 > 61 65 F 0.06175382001312 0.90287155524506 0.72582756646894 18.998 > 65 66 F 0.31175382001312 0.90287155524506 0.72582756646894 18.998 > 65 67 F 0.56175382001312 0.90287155524506 0.72582756646894 18.998 > 65 68 F 0.81175382001312 0.90287155524506 0.72582756646894 18.998 > 65 69 F 0.18824617998688 0.40287155524506 0.77417243353106 18.998 > 69 70 F 0.43824617998688 0.40287155524506 0.77417243353106 18.998 > 69 71 F 0.68824617998688 0.40287155524506 0.77417243353106 18.998 > 69 72 F 0.93824617998688 0.40287155524506 0.77417243353106 18.998 > 69 73 F 0.18824617998688 0.09712844475494 0.27417243353106 18.998 > 73 74 F 0.43824617998688 0.09712844475494 0.27417243353106 18.998 > 73 75 F 0.68824617998688 0.09712844475494 0.27417243353106 18.998 > 73 76 F 0.93824617998688 0.09712844475494 0.27417243353106 18.998 > 73 77 F 0.06175382001312 0.59712844475494 0.22582756646894 18.998 > 77 78 F 0.31175382001312 0.59712844475494 0.22582756646894 18.998 > 77 79 F 0.56175382001312 0.59712844475494 0.22582756646894 18.998 > 77 80 F 0.81175382001312 0.59712844475494 0.22582756646894 18.998 > 77 81 Br 0.03145974434465 0.87958830118113 0.12030078871969 79.904 > 81 82 Br 0.28145974434465 0.87958830118113 0.12030078871969 79.904 > 81 83 Br 0.53145974434465 0.87958830118113 0.12030078871969 79.904 > 81 84 Br 0.78145974434465 0.87958830118113 0.12030078871969 79.904 > 81 85 Br 0.21854025565535 0.37958830118113 0.37969921128031 79.904 > 85 86 Br 0.46854025565535 0.37958830118113 0.37969921128031 79.904 > 85 87 Br 0.71854025565535 0.37958830118113 0.37969921128031 79.904 > 85 88 Br 0.96854025565535 0.37958830118113 0.37969921128031 79.904 > 85 89 Br 0.21854025565535 0.12041169881887 0.87969921128031 79.904 > 89 90 Br 0.46854025565535 0.12041169881887 0.87969921128031 79.904 > 89 91 Br 0.71854025565535 0.12041169881887 0.87969921128031 79.904 > 89 92 Br 0.96854025565535 0.12041169881887 0.87969921128031 79.904 > 89 93 Br 0.03145974434465 0.62041169881887 0.62030078871969 79.904 > 93 94 Br 0.28145974434465 0.62041169881887 0.62030078871969 79.904 > 93 95 Br 0.53145974434465 0.62041169881887 0.62030078871969 79.904 > 93 96 Br 0.78145974434465 0.62041169881887 0.62030078871969 79.904 > 93 97 Sn 0.23452135914266 0.87500947778810 0.34464607667411 118.710 > 97 98 Sn 0.48452135914266 0.87500947778810 0.34464607667411 118.710 > 97 99 Sn 0.73452135914266 0.87500947778810 0.34464607667411 118.710 > 97 100 Sn 0.98452135914266 0.87500947778810 0.34464607667411 118.710 > 97 101 Sn 0.01547864085734 0.37500947778810 0.15535392332589 118.710 > 101 102 Sn 0.26547864085734 0.37500947778810 0.15535392332589 118.710 > 101 103 Sn 0.51547864085734 0.37500947778810 0.15535392332589 118.710 > 101 104 Sn 0.76547864085734 0.37500947778810 0.15535392332589 118.710 > 101 105 Sn 0.01547864085734 0.12499052221190 0.65535392332589 118.710 > 105 106 Sn 0.26547864085734 0.12499052221190 0.65535392332589 118.710 > 105 107 Sn 0.51547864085734 0.12499052221190 0.65535392332589 118.710 > 105 108 Sn 0.76547864085734 0.12499052221190 0.65535392332589 118.710 > 105 109 Sn 0.23452135914266 0.62499052221190 0.84464607667411 118.710 > 109 110 Sn 0.48452135914266 0.62499052221190 0.84464607667411 118.710 > 109 111 Sn 0.73452135914266 0.62499052221190 0.84464607667411 118.710 > 109 112 Sn 0.98452135914266 0.62499052221190 0.84464607667411 118.710 > 109 113 Sn 0.14146154973211 0.65741817802674 0.12846374421974 118.710 > 113 114 Sn 0.39146154973211 0.65741817802674 0.12846374421974 118.710 > 113 115 Sn 0.64146154973211 0.65741817802674 0.12846374421974 118.710 > 113 116 Sn 0.89146154973211 0.65741817802674 0.12846374421974 118.710 > 113 117 Sn 0.10853845026789 0.15741817802674 0.37153625578026 118.710 > 117 118 Sn 0.35853845026789 0.15741817802674 0.37153625578026 118.710 > 117 119 Sn 0.60853845026789 0.15741817802674 0.37153625578026 118.710 > 117 120 Sn 0.85853845026789 0.15741817802674 0.37153625578026 118.710 > 117 121 Sn 0.10853845026789 0.34258182197326 0.87153625578026 118.710 > 121 122 Sn 0.35853845026789 0.34258182197326 0.87153625578026 118.710 > 121 123 Sn 0.60853845026789 0.34258182197326 0.87153625578026 118.710 > 121 124 Sn 0.85853845026789 0.34258182197326 0.87153625578026 118.710 > 121 125 Sn 0.14146154973211 0.84258182197326 0.62846374421974 118.710 > 125 126 Sn 0.39146154973211 0.84258182197326 0.62846374421974 118.710 > 125 127 Sn 0.64146154973211 0.84258182197326 0.62846374421974 118.710 > 125 128 Sn 0.89146154973211 0.84258182197326 0.62846374421974 118.710 > 125 129 Sn 0.10692966228549 0.59978058430790 0.40129005754372 118.710 > 129 130 Sn 0.35692966228549 0.59978058430790 0.40129005754372 118.710 > 129 131 Sn 0.60692966228549 0.59978058430790 0.40129005754372 118.710 > 129 132 Sn 0.85692966228549 0.59978058430790 0.40129005754372 118.710 > 129 133 Sn 0.14307033771451 0.09978058430790 0.09870994245628 118.710 > 133 134 Sn 0.39307033771451 0.09978058430790 0.09870994245628 118.710 > 133 135 Sn 0.64307033771451 0.09978058430790 0.09870994245628 118.710 > 133 136 Sn 0.89307033771451 0.09978058430790 0.09870994245628 118.710 > 133 137 Sn 0.14307033771451 0.40021941569210 0.59870994245628 118.710 > 137 138 Sn 0.39307033771451 0.40021941569210 0.59870994245628 118.710 > 137 139 Sn 0.64307033771451 0.40021941569210 0.59870994245628 118.710 > 137 140 Sn 0.89307033771451 0.40021941569210 0.59870994245628 118.710 > 137 141 Sn 0.10692966228549 0.90021941569210 0.90129005754372 118.710 > 141 142 Sn 0.35692966228549 0.90021941569210 0.90129005754372 118.710 > 141 143 Sn 0.60692966228549 0.90021941569210 0.90129005754372 118.710 > 141 144 Sn 0.85692966228549 0.90021941569210 0.90129005754372 118.710 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7249378 0.0000000 -0.0728186 0.0000000 4.6461721 0.0000000 -0.0728349 0.0000000 4.6417316 -------------------------- Born effective charges -------------------------- 1 F -2.4468869 -0.2072377 -0.0169590 -0.1337024 -1.4663787 0.5307437 0.0077696 0.5249528 -1.5125310 2 F -2.4468869 0.2072377 -0.0169590 0.1337024 -1.4663787 -0.5307437 0.0077696 -0.5249528 -1.5125310 3 F -2.4468869 -0.2072377 -0.0169590 -0.1337024 -1.4663787 0.5307437 0.0077696 0.5249528 -1.5125310 4 F -2.4468869 0.2072377 -0.0169590 0.1337024 -1.4663787 -0.5307437 0.0077696 -0.5249528 -1.5125310 5 F -1.5440705 -0.6699055 -0.1183467 -0.6775179 -3.0011446 -0.1938590 -0.1124962 -0.3505852 -0.6684118 6 F -1.5440705 0.6699055 -0.1183467 0.6775179 -3.0011446 0.1938590 -0.1124962 0.3505852 -0.6684118 7 F -1.5440705 -0.6699055 -0.1183467 -0.6775179 -3.0011446 -0.1938590 -0.1124962 -0.3505852 -0.6684118 8 F -1.5440705 0.6699055 -0.1183467 0.6775179 -3.0011446 0.1938590 -0.1124962 0.3505852 -0.6684118 9 F -1.4032118 -0.1512063 -0.1310059 -0.1512193 -0.7026036 -0.3673332 -0.5341026 -0.2319438 -3.0095103 10 F -1.4032118 0.1512063 -0.1310059 0.1512193 -0.7026036 0.3673332 -0.5341026 0.2319438 -3.0095103 11 F -1.4032118 -0.1512063 -0.1310059 -0.1512193 -0.7026036 -0.3673332 -0.5341026 -0.2319438 -3.0095103 12 F -1.4032118 0.1512063 -0.1310059 0.1512193 -0.7026036 0.3673332 -0.5341026 0.2319438 -3.0095103 13 F -1.5480311 0.3608910 -0.1521996 0.4685290 -2.6072491 0.4625077 -0.1901065 0.4896458 -1.1231467 14 F -1.5480311 -0.3608910 -0.1521996 -0.4685290 -2.6072491 -0.4625077 -0.1901065 -0.4896458 -1.1231467 15 F -1.5480311 0.3608910 -0.1521996 0.4685290 -2.6072491 0.4625077 -0.1901065 0.4896458 -1.1231467 16 F -1.5480311 -0.3608910 -0.1521996 -0.4685290 -2.6072491 -0.4625077 -0.1901065 -0.4896458 -1.1231467 17 F -1.5912114 0.3180556 0.2968361 0.2887917 -1.1354830 -0.4979401 0.3930278 -0.4560701 -2.5834503 18 F -1.5912114 -0.3180556 0.2968361 -0.2887917 -1.1354830 0.4979401 0.3930278 0.4560701 -2.5834503 19 F -1.5912114 0.3180556 0.2968361 0.2887917 -1.1354830 -0.4979401 0.3930278 -0.4560701 -2.5834503 20 F -1.5912114 -0.3180556 0.2968361 -0.2887917 -1.1354830 0.4979401 0.3930278 0.4560701 -2.5834503 21 Br -1.9930724 0.1113802 0.1151598 0.1039053 -1.7203677 0.3399604 0.1643314 0.3366840 -1.7293315 22 Br -1.9930724 -0.1113802 0.1151598 -0.1039053 -1.7203677 -0.3399604 0.1643314 -0.3366840 -1.7293315 23 Br -1.9930724 0.1113802 0.1151598 0.1039053 -1.7203677 0.3399604 0.1643314 0.3366840 -1.7293315 24 Br -1.9930724 -0.1113802 0.1151598 -0.1039053 -1.7203677 -0.3399604 0.1643314 -0.3366840 -1.7293315 25 Sn 3.3974649 0.1572377 -0.0136705 0.1842225 3.2335851 -0.4642351 0.0824299 -0.3295936 3.9633905 26 Sn 3.3974649 -0.1572377 -0.0136705 -0.1842225 3.2335851 0.4642351 0.0824299 0.3295936 3.9633905 27 Sn 3.3974649 0.1572377 -0.0136705 0.1842225 3.2335851 -0.4642351 0.0824299 -0.3295936 3.9633905 28 Sn 3.3974649 -0.1572377 -0.0136705 -0.1842225 3.2335851 0.4642351 0.0824299 0.3295936 3.9633905 29 Sn 3.3521394 -0.1079213 0.0670047 0.1013668 3.9749699 -0.3286704 0.2206105 -0.4601229 3.2378132 30 Sn 3.3521394 0.1079213 0.0670047 -0.1013668 3.9749699 0.3286704 0.2206105 0.4601229 3.2378132 31 Sn 3.3521394 -0.1079213 0.0670047 0.1013668 3.9749699 -0.3286704 0.2206105 -0.4601229 3.2378132 32 Sn 3.3521394 0.1079213 0.0670047 -0.1013668 3.9749699 0.3286704 0.2206105 0.4601229 3.2378132 33 Sn 3.7768799 -0.1124401 -0.0468190 -0.0441829 3.4246717 -0.4746812 -0.0314640 -0.4723091 3.4251780 34 Sn 3.7768799 0.1124401 -0.0468190 0.0441829 3.4246717 0.4746812 -0.0314640 0.4723091 3.4251780 35 Sn 3.7768799 -0.1124401 -0.0468190 -0.0441829 3.4246717 -0.4746812 -0.0314640 -0.4723091 3.4251780 36 Sn 3.7768799 0.1124401 -0.0468190 0.0441829 3.4246717 0.4746812 -0.0314640 0.4723091 3.4251780 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 4 4 ] 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: 0.48, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/81) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 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 0.776 ( 0.000 0.000 0.000) 0.000 0.784 ( 0.000 0.000 0.000) 0.000 0.801 ( 0.000 0.000 0.000) 0.000 0.879 ( 0.000 0.000 0.000) 0.000 0.938 ( 0.000 0.000 0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.062 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.324 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.555 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.611 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.706 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.934 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.437 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.540 ( 0.000 0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 11.239 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.607 ( 0.000 0.000 0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 13.486 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/81) ======================= q-point: ( 0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 16.277 0.000 2.320) 16.441 0.331 ( 16.200 0.000 2.591) 16.406 0.549 ( 24.418 0.000 11.851) 27.142 0.734 ( 4.687 0.000 -3.486) 5.841 0.830 ( 5.153 0.000 -1.836) 5.471 0.930 ( 5.375 0.000 1.859) 5.688 0.964 ( 6.098 0.000 -1.469) 6.273 1.043 ( 5.993 0.000 -3.237) 6.812 1.073 ( 5.738 0.000 2.452) 6.240 1.113 ( 8.198 0.000 -0.327) 8.204 1.168 ( 7.204 0.000 0.941) 7.265 1.207 ( 5.616 0.000 -1.703) 5.868 1.226 ( 1.110 0.000 0.062) 1.111 1.254 ( 3.280 0.000 1.750) 3.718 1.389 ( 7.203 0.000 4.157) 8.316 1.429 ( 7.083 0.000 0.305) 7.089 1.455 ( 4.450 0.000 -0.847) 4.530 1.575 ( 3.741 0.000 5.068) 6.299 1.585 ( 0.140 0.000 -0.101) 0.173 1.614 ( -0.737 0.000 6.084) 6.128 1.624 ( 9.880 0.000 0.499) 9.893 1.681 ( 1.129 0.000 -0.931) 1.463 1.734 ( 5.493 0.000 3.658) 6.599 1.743 ( 4.983 0.000 2.796) 5.714 1.809 ( 11.345 0.000 1.558) 11.451 1.827 ( 5.373 0.000 0.684) 5.416 1.861 ( 3.749 0.000 -1.719) 4.124 1.931 ( 3.388 0.000 -2.069) 3.970 1.967 ( 2.515 0.000 -2.160) 3.315 1.974 ( 4.188 0.000 6.839) 8.020 2.118 ( 3.579 0.000 2.156) 4.178 2.119 ( -0.085 0.000 -4.784) 4.785 2.185 ( 4.019 0.000 -1.008) 4.144 2.201 ( 2.960 0.000 -6.373) 7.027 2.277 ( 2.220 0.000 -0.747) 2.342 2.313 ( 2.054 0.000 4.210) 4.684 2.394 ( 3.516 0.000 1.172) 3.707 2.447 ( -0.123 0.000 1.350) 1.356 2.573 ( -2.723 0.000 -1.585) 3.150 2.771 ( 1.290 0.000 2.541) 2.850 2.777 ( -2.714 0.000 -5.815) 6.417 2.891 ( -3.055 0.000 -0.079) 3.056 2.921 ( 2.915 0.000 0.680) 2.993 2.957 ( -0.942 0.000 -2.328) 2.512 3.280 ( -1.285 0.000 -0.851) 1.542 3.283 ( -0.969 0.000 0.217) 0.993 3.417 ( -1.654 0.000 -0.664) 1.782 3.664 ( -11.314 0.000 1.548) 11.419 3.672 ( -7.097 0.000 -4.751) 8.540 3.788 ( -1.081 0.000 -0.567) 1.220 3.837 ( -10.978 0.000 7.567) 13.333 4.062 ( -6.491 0.000 -3.774) 7.509 4.090 ( -3.295 0.000 -2.915) 4.400 4.256 ( -6.766 0.000 5.125) 8.487 4.264 ( -3.549 0.000 -0.177) 3.553 4.442 ( 3.761 0.000 -3.219) 4.950 4.693 ( -8.034 0.000 0.274) 8.038 4.789 ( 4.160 0.000 3.953) 5.738 4.960 ( 2.157 0.000 0.677) 2.260 4.967 ( -2.566 0.000 -2.398) 3.513 5.042 ( -0.902 0.000 -5.233) 5.310 5.135 ( -0.962 0.000 -16.804) 16.831 5.289 ( -6.706 0.000 0.461) 6.722 5.397 ( 2.170 0.000 -2.431) 3.259 5.497 ( -13.048 0.000 -1.303) 13.113 5.526 ( -13.287 0.000 6.895) 14.969 5.702 ( -10.127 0.000 -0.471) 10.138 5.856 ( 1.782 0.000 0.984) 2.036 5.874 ( -0.933 0.000 0.365) 1.002 6.078 ( -9.308 0.000 -3.461) 9.931 6.139 ( 10.850 0.000 -1.053) 10.901 6.416 ( 8.557 0.000 10.142) 13.270 6.530 ( -13.621 0.000 1.430) 13.695 6.595 ( 4.560 0.000 -4.012) 6.074 6.687 ( 10.555 0.000 1.614) 10.678 6.824 ( -7.745 0.000 1.712) 7.932 6.847 ( -3.978 0.000 -6.481) 7.605 6.954 ( -2.724 0.000 7.517) 7.995 7.178 ( -8.183 0.000 -4.802) 9.488 7.303 ( 6.394 0.000 -1.044) 6.478 7.477 ( 1.734 0.000 -4.647) 4.960 7.522 ( 6.483 0.000 -0.042) 6.483 7.712 ( 6.095 0.000 -2.513) 6.593 7.720 ( 8.695 0.000 4.773) 9.919 7.967 ( 1.461 0.000 -0.013) 1.462 8.052 ( 9.328 0.000 2.192) 9.582 8.124 ( 0.684 0.000 -0.431) 0.808 8.326 ( 28.028 0.000 -73.243) 78.423 8.576 ( 3.339 0.000 -6.322) 7.150 8.634 ( 5.999 0.000 2.185) 6.384 8.738 ( 2.274 0.000 4.902) 5.404 8.952 ( 4.412 0.000 -11.801) 12.599 9.207 ( -3.352 0.000 3.984) 5.207 9.254 ( -8.731 0.000 17.365) 19.436 9.320 ( 0.133 0.000 6.116) 6.118 9.326 ( -0.614 0.000 -5.212) 5.248 9.499 ( 1.899 0.000 1.237) 2.267 9.528 ( 0.125 0.000 3.764) 3.766 9.793 ( -9.108 0.000 17.847) 20.037 9.875 ( 6.251 0.000 7.394) 9.683 10.560 ( -3.796 0.000 0.925) 3.907 11.013 ( 4.724 0.000 -0.321) 4.735 11.355 ( -7.768 0.000 14.642) 16.575 11.424 ( -1.046 0.000 1.635) 1.941 11.558 ( -4.826 0.000 -0.680) 4.874 12.109 ( -8.679 0.000 -0.959) 8.732 12.714 ( -21.587 0.000 40.190) 45.620 13.303 ( -16.520 0.000 -6.301) 17.681 ======================= Grid point 2 (3/81) ======================= q-point: ( 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 14.073 0.000 2.630) 14.317 0.626 ( 13.296 0.000 2.602) 13.548 0.900 ( 12.999 0.000 -0.031) 12.999 0.941 ( 7.031 0.000 -3.737) 7.963 0.986 ( 14.211 0.000 3.495) 14.634 0.992 ( 2.129 0.000 -0.100) 2.132 1.103 ( 9.764 0.000 -0.081) 9.764 1.121 ( 2.447 0.000 -0.852) 2.591 1.164 ( 4.852 0.000 0.914) 4.938 1.249 ( 3.429 0.000 1.277) 3.659 1.292 ( 8.746 0.000 4.113) 9.665 1.306 ( 6.984 0.000 0.480) 7.000 1.367 ( 5.795 0.000 1.737) 6.050 1.383 ( 10.841 0.000 1.748) 10.981 1.517 ( 1.658 0.000 0.219) 1.672 1.522 ( 4.714 0.000 -0.155) 4.716 1.556 ( 5.411 0.000 1.058) 5.513 1.600 ( 2.752 0.000 0.591) 2.814 1.640 ( 1.916 0.000 -0.460) 1.970 1.690 ( 1.163 0.000 2.637) 2.882 1.741 ( 7.106 0.000 2.701) 7.602 1.789 ( 6.159 0.000 0.046) 6.159 1.883 ( 7.776 0.000 3.130) 8.382 1.891 ( 4.538 0.000 -3.008) 5.444 1.944 ( 7.873 0.000 -1.842) 8.086 1.985 ( 10.178 0.000 -1.419) 10.276 1.994 ( 9.026 0.000 2.254) 9.303 2.006 ( 3.891 0.000 2.187) 4.463 2.087 ( 3.708 0.000 -2.923) 4.722 2.120 ( 3.369 0.000 -2.640) 4.280 2.153 ( 10.928 0.000 4.309) 11.747 2.185 ( 6.707 0.000 -1.160) 6.806 2.230 ( 3.994 0.000 -3.884) 5.571 2.287 ( 6.619 0.000 -0.624) 6.648 2.336 ( 4.279 0.000 -1.419) 4.508 2.367 ( 2.682 0.000 0.410) 2.714 2.464 ( 1.941 0.000 1.805) 2.650 2.507 ( 6.741 0.000 1.373) 6.880 2.550 ( 3.857 0.000 -1.378) 4.096 2.706 ( 0.531 0.000 -4.244) 4.277 2.850 ( 1.070 0.000 -0.305) 1.113 2.862 ( 6.874 0.000 1.419) 7.019 2.959 ( 2.403 0.000 -0.304) 2.422 2.992 ( 4.882 0.000 -0.894) 4.963 3.244 ( -1.888 0.000 -0.838) 2.066 3.270 ( -0.789 0.000 1.955) 2.108 3.372 ( -3.042 0.000 0.185) 3.047 3.445 ( -10.972 0.000 3.164) 11.419 3.532 ( -4.911 0.000 -6.038) 7.783 3.666 ( -10.647 0.000 3.933) 11.350 3.744 ( -3.217 0.000 -0.629) 3.278 3.766 ( -16.298 0.000 0.301) 16.301 4.021 ( -4.782 0.000 4.175) 6.348 4.155 ( -6.394 0.000 -3.721) 7.398 4.310 ( 4.038 0.000 -1.140) 4.196 4.491 ( 2.989 0.000 -2.022) 3.609 4.511 ( -9.205 0.000 -1.609) 9.345 4.814 ( -10.673 0.000 -0.051) 10.673 4.849 ( -8.392 0.000 -5.073) 9.807 4.884 ( -0.100 0.000 5.133) 5.134 4.997 ( -6.671 0.000 -5.064) 8.375 5.002 ( -6.412 0.000 0.273) 6.418 5.151 ( -6.026 0.000 -1.712) 6.264 5.200 ( -5.663 0.000 -2.259) 6.097 5.302 ( -13.865 0.000 4.470) 14.568 5.330 ( -9.555 0.000 0.572) 9.572 5.648 ( -4.673 0.000 -0.340) 4.685 5.783 ( -9.227 0.000 -0.367) 9.235 5.907 ( -8.571 0.000 0.381) 8.579 5.980 ( 8.490 0.000 0.107) 8.490 6.271 ( -14.075 0.000 -0.742) 14.095 6.347 ( 9.438 0.000 -0.124) 9.439 6.464 ( -11.793 0.000 6.700) 13.563 6.560 ( -2.253 0.000 -11.359) 11.580 6.678 ( -0.019 0.000 3.925) 3.925 6.751 ( -0.645 0.000 -1.279) 1.433 6.788 ( -7.547 0.000 2.432) 7.929 6.962 ( -1.700 0.000 3.529) 3.917 7.068 ( 3.339 0.000 -1.226) 3.557 7.345 ( -1.521 0.000 -12.301) 12.395 7.548 ( 0.300 0.000 -2.295) 2.314 7.597 ( 12.768 0.000 6.921) 14.523 7.874 ( 5.152 0.000 2.060) 5.548 7.913 ( 8.288 0.000 -1.636) 8.448 8.055 ( 7.142 0.000 1.000) 7.212 8.165 ( 8.055 0.000 1.226) 8.148 8.308 ( 15.645 0.000 -1.954) 15.767 8.431 ( 15.804 0.000 -28.849) 32.894 8.627 ( 5.994 0.000 -4.930) 7.761 8.779 ( 6.901 0.000 1.902) 7.158 8.796 ( -0.011 0.000 4.987) 4.987 8.937 ( -2.137 0.000 -1.878) 2.845 9.114 ( -9.115 0.000 4.832) 10.317 9.174 ( -6.382 0.000 4.481) 7.798 9.324 ( 2.665 0.000 -4.853) 5.537 9.374 ( 4.868 0.000 -4.264) 6.471 9.512 ( 1.173 0.000 -2.467) 2.732 9.571 ( 2.160 0.000 3.453) 4.073 9.719 ( -7.170 0.000 9.817) 12.157 10.089 ( 9.112 0.000 11.212) 14.448 10.478 ( -5.813 0.000 2.180) 6.208 11.114 ( 6.397 0.000 -2.683) 6.936 11.280 ( -8.391 0.000 11.088) 13.905 11.399 ( -3.047 0.000 2.798) 4.137 11.435 ( -6.680 0.000 -2.359) 7.085 11.893 ( -12.284 0.000 -3.197) 12.693 12.499 ( -20.185 0.000 19.837) 28.301 12.861 ( -23.535 0.000 -10.180) 25.643 ======================= Grid point 3 (4/81) ======================= q-point: ( 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 5.982 0.000 2.820) 6.614 0.837 ( 8.058 0.000 0.819) 8.100 0.998 ( 0.214 0.000 -1.281) 1.299 1.019 ( 0.157 0.000 1.521) 1.529 1.105 ( 3.207 0.000 -2.552) 4.099 1.157 ( 11.229 0.000 4.444) 12.076 1.229 ( 8.107 0.000 0.190) 8.109 1.254 ( 6.171 0.000 -0.415) 6.185 1.295 ( 9.321 0.000 -1.397) 9.425 1.338 ( 5.144 0.000 0.451) 5.164 1.424 ( 3.445 0.000 2.837) 4.463 1.456 ( 5.944 0.000 3.590) 6.944 1.472 ( 6.186 0.000 -1.466) 6.357 1.526 ( 0.483 0.000 -0.919) 1.038 1.560 ( 2.161 0.000 -3.262) 3.913 1.591 ( 7.127 0.000 1.108) 7.213 1.629 ( 3.054 0.000 1.479) 3.393 1.688 ( 1.660 0.000 -0.815) 1.849 1.712 ( 6.278 0.000 1.299) 6.411 1.742 ( 4.878 0.000 3.900) 6.246 1.861 ( 5.558 0.000 -0.113) 5.559 1.881 ( 1.846 0.000 -3.617) 4.061 1.912 ( 3.902 0.000 -1.372) 4.136 1.978 ( 1.914 0.000 -0.336) 1.943 2.040 ( 0.457 0.000 -1.910) 1.963 2.067 ( 2.482 0.000 -1.732) 3.027 2.108 ( 2.564 0.000 -0.548) 2.622 2.149 ( 8.443 0.000 -0.805) 8.481 2.164 ( 2.054 0.000 0.067) 2.056 2.172 ( 0.911 0.000 -0.323) 0.966 2.254 ( 12.003 0.000 0.525) 12.014 2.298 ( 5.559 0.000 1.508) 5.760 2.314 ( -1.395 0.000 3.415) 3.689 2.397 ( 4.856 0.000 -2.778) 5.595 2.427 ( 4.943 0.000 -0.478) 4.966 2.462 ( 7.218 0.000 3.955) 8.231 2.579 ( 9.454 0.000 0.363) 9.461 2.637 ( 6.413 0.000 1.059) 6.500 2.741 ( 12.970 0.000 1.987) 13.121 2.777 ( 9.108 0.000 -5.496) 10.638 2.987 ( 12.472 0.000 0.293) 12.476 2.996 ( 5.191 0.000 -0.435) 5.209 3.029 ( 3.380 0.000 2.185) 4.024 3.093 ( 5.626 0.000 -2.568) 6.184 3.219 ( 0.959 0.000 -0.245) 0.989 3.278 ( -1.276 0.000 4.232) 4.420 3.299 ( -4.784 0.000 2.035) 5.199 3.303 ( -6.093 0.000 1.767) 6.344 3.455 ( 1.403 0.000 -5.910) 6.074 3.509 ( -8.109 0.000 2.185) 8.399 3.563 ( -3.242 0.000 -0.310) 3.257 3.671 ( -3.793 0.000 0.314) 3.806 3.951 ( -6.611 0.000 7.535) 10.025 4.014 ( -4.968 0.000 -5.568) 7.462 4.278 ( -3.220 0.000 -5.544) 6.411 4.392 ( -5.216 0.000 -0.573) 5.247 4.457 ( -9.121 0.000 0.506) 9.135 4.633 ( -3.392 0.000 -1.333) 3.645 4.715 ( -0.857 0.000 -3.043) 3.161 4.820 ( -9.832 0.000 -0.425) 9.841 4.863 ( -6.636 0.000 1.133) 6.732 4.879 ( -3.358 0.000 0.975) 3.497 5.036 ( -6.300 0.000 0.589) 6.327 5.120 ( -5.178 0.000 -1.965) 5.539 5.140 ( -4.417 0.000 2.301) 4.980 5.200 ( -3.880 0.000 -0.665) 3.936 5.518 ( -7.872 0.000 -1.125) 7.952 5.550 ( -15.328 0.000 2.109) 15.472 5.723 ( -12.908 0.000 2.739) 13.195 5.951 ( -12.796 0.000 -3.528) 13.274 6.005 ( -12.645 0.000 -2.656) 12.921 6.146 ( -17.706 0.000 1.265) 17.751 6.454 ( 2.245 0.000 2.462) 3.332 6.485 ( 0.389 0.000 -5.140) 5.155 6.612 ( -8.054 0.000 -0.783) 8.092 6.760 ( 1.114 0.000 0.218) 1.135 6.908 ( 13.475 0.000 9.876) 16.706 6.929 ( -3.247 0.000 1.751) 3.689 7.140 ( 0.681 0.000 4.353) 4.406 7.199 ( -4.823 0.000 -12.258) 13.173 7.587 ( 5.387 0.000 -2.133) 5.793 7.839 ( 6.793 0.000 -1.574) 6.973 7.942 ( -0.663 0.000 -1.036) 1.230 8.019 ( 10.839 0.000 5.732) 12.261 8.187 ( 6.529 0.000 -2.237) 6.901 8.367 ( 10.026 0.000 -3.842) 10.737 8.546 ( 8.283 0.000 -10.773) 13.589 8.553 ( 9.088 0.000 -0.051) 9.088 8.764 ( 7.454 0.000 -3.472) 8.223 8.800 ( 1.739 0.000 6.476) 6.705 8.821 ( -4.637 0.000 -0.853) 4.715 8.869 ( -4.733 0.000 2.307) 5.266 8.945 ( -10.590 0.000 1.837) 10.748 9.131 ( 2.192 0.000 0.080) 2.194 9.342 ( 1.327 0.000 0.136) 1.334 9.436 ( 3.997 0.000 -3.864) 5.560 9.556 ( 6.699 0.000 -6.783) 9.533 9.620 ( 2.187 0.000 -5.597) 6.009 9.695 ( -0.794 0.000 13.431) 13.455 10.299 ( 5.038 0.000 10.181) 11.360 10.374 ( -6.071 0.000 2.996) 6.770 11.154 ( -4.433 0.000 -2.275) 4.983 11.217 ( -1.030 0.000 5.827) 5.918 11.313 ( -4.172 0.000 -0.778) 4.244 11.349 ( -4.408 0.000 3.872) 5.867 11.637 ( -11.562 0.000 -6.742) 13.384 12.223 ( -19.057 0.000 11.919) 22.478 12.373 ( -20.970 0.000 -9.833) 23.161 ======================= Grid point 4 (5/81) ======================= q-point: ( 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -1.383 0.000 4.018) 4.249 0.893 ( -1.572 0.000 -1.319) 2.052 0.954 ( -3.381 0.000 -0.056) 3.381 1.029 ( -0.115 0.000 3.289) 3.291 1.148 ( 1.489 0.000 0.308) 1.520 1.325 ( 2.655 0.000 2.413) 3.587 1.373 ( 7.013 0.000 -1.404) 7.152 1.386 ( 4.913 0.000 -3.099) 5.808 1.399 ( 5.393 0.000 0.486) 5.415 1.435 ( 7.357 0.000 -1.684) 7.547 1.489 ( 2.968 0.000 0.863) 3.091 1.532 ( 3.143 0.000 -0.611) 3.202 1.563 ( 4.197 0.000 -0.735) 4.261 1.602 ( 7.231 0.000 1.061) 7.309 1.633 ( 4.309 0.000 -0.696) 4.365 1.654 ( 0.540 0.000 0.335) 0.636 1.698 ( 4.657 0.000 2.554) 5.312 1.701 ( 1.336 0.000 -0.051) 1.337 1.811 ( 3.376 0.000 -2.670) 4.304 1.843 ( 3.406 0.000 -0.903) 3.524 1.856 ( 0.677 0.000 -1.920) 2.036 1.956 ( 3.770 0.000 -0.017) 3.770 1.995 ( 3.349 0.000 -3.169) 4.611 1.997 ( 1.493 0.000 -1.918) 2.431 2.030 ( 2.134 0.000 1.572) 2.651 2.099 ( 2.740 0.000 -1.953) 3.365 2.145 ( 0.612 0.000 1.451) 1.574 2.168 ( 0.199 0.000 1.406) 1.420 2.201 ( 2.884 0.000 0.908) 3.023 2.258 ( -0.248 0.000 1.714) 1.732 2.337 ( 2.915 0.000 -0.388) 2.941 2.372 ( 5.747 0.000 -0.313) 5.756 2.445 ( 5.939 0.000 -2.853) 6.588 2.504 ( 4.468 0.000 -2.926) 5.341 2.554 ( 12.513 0.000 6.242) 13.984 2.636 ( 6.024 0.000 6.609) 8.942 2.727 ( 5.934 0.000 -1.642) 6.157 2.765 ( 6.844 0.000 0.156) 6.845 2.921 ( 7.734 0.000 -3.312) 8.413 2.925 ( 2.989 0.000 0.973) 3.144 3.021 ( -1.611 0.000 0.753) 1.778 3.052 ( 2.345 0.000 -2.604) 3.504 3.107 ( -0.047 0.000 -2.142) 2.143 3.218 ( -4.649 0.000 2.514) 5.285 3.224 ( -2.090 0.000 -0.489) 2.146 3.257 ( 5.684 0.000 2.677) 6.283 3.292 ( 5.435 0.000 -2.861) 6.142 3.317 ( 8.571 0.000 5.392) 10.126 3.407 ( -3.147 0.000 3.019) 4.361 3.496 ( 3.412 0.000 -3.722) 5.050 3.633 ( 6.012 0.000 0.709) 6.054 3.638 ( 0.239 0.000 0.340) 0.415 3.879 ( -4.717 0.000 7.811) 9.125 3.932 ( 1.131 0.000 -5.551) 5.665 4.219 ( 0.485 0.000 -5.508) 5.529 4.271 ( -8.359 0.000 -0.046) 8.359 4.290 ( -3.383 0.000 -0.853) 3.489 4.545 ( -9.792 0.000 2.102) 10.015 4.687 ( -1.298 0.000 -3.785) 4.001 4.735 ( 1.657 0.000 -0.371) 1.698 4.780 ( -3.484 0.000 0.134) 3.487 4.818 ( -2.574 0.000 0.330) 2.596 4.962 ( -2.405 0.000 1.212) 2.693 5.001 ( -4.594 0.000 -1.494) 4.831 5.097 ( -4.925 0.000 5.281) 7.221 5.135 ( -3.057 0.000 -2.772) 4.126 5.281 ( -13.021 0.000 2.691) 13.296 5.354 ( -8.626 0.000 -1.807) 8.813 5.462 ( -15.748 0.000 2.267) 15.910 5.577 ( -20.316 0.000 -2.322) 20.448 5.783 ( -9.803 0.000 -2.429) 10.099 5.868 ( -13.982 0.000 -0.118) 13.983 6.482 ( -0.474 0.000 2.044) 2.098 6.490 ( 1.372 0.000 -2.140) 2.541 6.515 ( -1.838 0.000 -0.757) 1.988 6.789 ( 0.831 0.000 3.253) 3.357 6.876 ( -2.431 0.000 -1.010) 2.633 7.062 ( -1.775 0.000 -8.462) 8.646 7.121 ( 2.339 0.000 0.882) 2.500 7.185 ( 2.091 0.000 8.688) 8.936 7.679 ( 4.626 0.000 0.659) 4.672 7.870 ( 0.833 0.000 -5.694) 5.754 7.953 ( 1.116 0.000 5.268) 5.385 8.215 ( 3.330 0.000 -4.538) 5.629 8.307 ( 8.895 0.000 5.032) 10.220 8.454 ( 4.339 0.000 -8.792) 9.804 8.545 ( -5.699 0.000 0.022) 5.699 8.632 ( -1.129 0.000 -0.294) 1.166 8.711 ( -6.282 0.000 -1.623) 6.488 8.742 ( -3.400 0.000 1.389) 3.672 8.767 ( -6.179 0.000 0.258) 6.185 8.796 ( -0.479 0.000 2.014) 2.070 9.030 ( 11.021 0.000 4.110) 11.763 9.207 ( 4.891 0.000 -3.723) 6.146 9.415 ( 5.911 0.000 3.499) 6.869 9.483 ( 3.017 0.000 0.089) 3.019 9.641 ( 3.974 0.000 -3.370) 5.211 9.662 ( 9.292 0.000 -9.276) 13.130 9.798 ( 3.531 0.000 7.860) 8.617 10.232 ( -8.817 0.000 3.998) 9.681 10.448 ( 2.996 0.000 7.172) 7.773 11.026 ( -8.441 0.000 3.478) 9.130 11.168 ( -2.442 0.000 -7.633) 8.014 11.253 ( -8.832 0.000 -2.204) 9.102 11.301 ( -1.426 0.000 5.055) 5.252 11.414 ( -6.837 0.000 -3.258) 7.574 11.956 ( -14.694 0.000 6.866) 16.219 11.987 ( -14.829 0.000 -7.060) 16.423 ======================= Grid point 5 (6/81) ======================= q-point: ( 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -4.621 0.000 -0.077) 4.622 0.860 ( -3.279 0.000 4.394) 5.482 0.902 ( -1.630 0.000 0.087) 1.632 1.056 ( 0.522 0.000 3.718) 3.754 1.138 ( -2.605 0.000 -0.122) 2.608 1.285 ( -2.452 0.000 -3.020) 3.890 1.420 ( 0.177 0.000 -4.583) 4.587 1.454 ( 2.662 0.000 -1.119) 2.888 1.530 ( 3.910 0.000 6.429) 7.525 1.543 ( 3.684 0.000 0.460) 3.713 1.578 ( 7.092 0.000 -1.315) 7.213 1.592 ( 4.010 0.000 -2.321) 4.634 1.630 ( 2.683 0.000 -1.084) 2.894 1.663 ( 1.570 0.000 -1.675) 2.296 1.693 ( 2.760 0.000 -0.083) 2.761 1.728 ( 5.275 0.000 0.646) 5.314 1.728 ( 2.594 0.000 0.838) 2.726 1.823 ( 2.206 0.000 1.412) 2.619 1.850 ( 6.795 0.000 -0.643) 6.825 1.881 ( 1.744 0.000 -0.392) 1.787 1.888 ( 2.629 0.000 -1.223) 2.899 1.990 ( 0.686 0.000 -0.925) 1.152 2.025 ( 2.526 0.000 -2.024) 3.237 2.047 ( 4.386 0.000 0.297) 4.396 2.113 ( 4.166 0.000 1.724) 4.509 2.138 ( 2.658 0.000 -0.875) 2.799 2.158 ( 0.737 0.000 -0.064) 0.739 2.191 ( 0.955 0.000 2.265) 2.458 2.277 ( 2.831 0.000 3.045) 4.157 2.280 ( 2.011 0.000 1.238) 2.362 2.378 ( -1.041 0.000 -3.515) 3.666 2.384 ( 2.481 0.000 -1.028) 2.685 2.558 ( 4.170 0.000 -4.244) 5.950 2.615 ( 8.428 0.000 -2.203) 8.711 2.711 ( 0.240 0.000 2.166) 2.179 2.761 ( 1.873 0.000 4.496) 4.870 2.768 ( 0.708 0.000 -2.408) 2.510 2.869 ( 3.991 0.000 2.199) 4.557 2.889 ( -2.670 0.000 -0.754) 2.774 2.991 ( -5.243 0.000 1.788) 5.540 3.012 ( 3.873 0.000 1.745) 4.248 3.061 ( -1.483 0.000 -0.665) 1.625 3.128 ( 5.803 0.000 -2.891) 6.483 3.162 ( 0.083 0.000 1.345) 1.347 3.274 ( 7.539 0.000 -0.001) 7.539 3.324 ( -0.555 0.000 4.988) 5.018 3.373 ( 5.776 0.000 -4.134) 7.103 3.412 ( 0.347 0.000 4.891) 4.904 3.487 ( 0.219 0.000 -5.367) 5.371 3.559 ( 10.101 0.000 3.997) 10.864 3.654 ( 0.595 0.000 -1.196) 1.336 3.676 ( 0.728 0.000 -0.698) 1.008 3.916 ( 2.599 0.000 6.506) 7.006 3.993 ( 5.667 0.000 -2.179) 6.072 4.166 ( -2.106 0.000 -1.637) 2.667 4.220 ( 2.713 0.000 -5.176) 5.844 4.269 ( 0.520 0.000 -0.535) 0.746 4.355 ( -11.068 0.000 3.082) 11.489 4.667 ( 0.797 0.000 -4.348) 4.420 4.675 ( -7.922 0.000 -1.462) 8.056 4.753 ( -0.049 0.000 2.149) 2.150 4.770 ( -6.463 0.000 2.551) 6.948 4.877 ( -6.369 0.000 3.318) 7.181 4.959 ( -0.217 0.000 -3.072) 3.079 5.051 ( -3.718 0.000 -1.274) 3.930 5.056 ( 0.304 0.000 3.925) 3.937 5.152 ( -4.445 0.000 0.309) 4.456 5.192 ( -6.330 0.000 -1.548) 6.517 5.208 ( -10.914 0.000 1.904) 11.079 5.268 ( -10.147 0.000 -2.010) 10.344 5.598 ( -8.763 0.000 -1.572) 8.903 5.622 ( -11.990 0.000 0.021) 11.990 6.487 ( -0.287 0.000 -1.654) 1.678 6.488 ( 0.505 0.000 2.244) 2.300 6.518 ( 1.847 0.000 -0.742) 1.990 6.766 ( -4.170 0.000 -0.744) 4.236 6.893 ( 4.858 0.000 0.592) 4.894 7.061 ( 3.862 0.000 -0.852) 3.955 7.107 ( -2.056 0.000 -1.736) 2.691 7.205 ( -3.627 0.000 2.340) 4.317 7.794 ( 5.964 0.000 5.436) 8.069 7.823 ( -2.021 0.000 -5.564) 5.920 8.029 ( 1.533 0.000 9.696) 9.817 8.146 ( -5.528 0.000 -6.486) 8.522 8.420 ( -5.995 0.000 1.469) 6.172 8.427 ( -2.293 0.000 -9.796) 10.060 8.454 ( 1.823 0.000 2.395) 3.010 8.551 ( -4.219 0.000 -3.936) 5.770 8.634 ( -2.870 0.000 -0.664) 2.946 8.642 ( 0.734 0.000 3.632) 3.705 8.771 ( 0.141 0.000 3.119) 3.122 8.833 ( 1.764 0.000 0.520) 1.839 9.228 ( 7.409 0.000 5.654) 9.320 9.242 ( 1.734 0.000 -3.866) 4.237 9.551 ( 3.450 0.000 -0.307) 3.464 9.577 ( 7.546 0.000 2.593) 7.979 9.729 ( 6.393 0.000 -0.375) 6.404 9.780 ( 9.435 0.000 -9.192) 13.173 9.896 ( 2.541 0.000 4.575) 5.233 10.093 ( -8.455 0.000 4.678) 9.663 10.520 ( 0.806 0.000 5.657) 5.714 10.894 ( -7.340 0.000 2.331) 7.701 11.000 ( -11.524 0.000 -10.649) 15.691 11.078 ( -2.398 0.000 -5.987) 6.450 11.248 ( -6.856 0.000 2.878) 7.436 11.339 ( -3.334 0.000 3.268) 4.669 11.736 ( -8.484 0.000 -4.075) 9.412 11.794 ( -5.924 0.000 3.921) 7.104 ======================= Grid point 6 (7/81) ======================= q-point: ( 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -2.032 0.000 0.198) 2.042 0.830 ( -1.697 0.000 1.982) 2.609 0.900 ( 0.706 0.000 0.448) 0.836 1.074 ( -2.863 0.000 -0.561) 2.918 1.079 ( 0.160 0.000 1.239) 1.249 1.252 ( -0.116 0.000 -0.011) 0.117 1.371 ( -1.425 0.000 -2.959) 3.285 1.474 ( 0.343 0.000 -0.266) 0.434 1.596 ( 1.576 0.000 0.122) 1.581 1.597 ( 0.483 0.000 2.026) 2.083 1.633 ( 1.603 0.000 -0.943) 1.860 1.665 ( 1.273 0.000 0.937) 1.580 1.674 ( 2.726 0.000 -1.180) 2.970 1.687 ( 0.991 0.000 -0.274) 1.028 1.716 ( 0.919 0.000 -0.550) 1.071 1.793 ( 1.971 0.000 0.028) 1.971 1.801 ( 2.148 0.000 0.235) 2.161 1.848 ( 0.603 0.000 -0.009) 0.603 1.922 ( 3.183 0.000 -0.242) 3.192 1.929 ( 2.524 0.000 -0.697) 2.619 1.967 ( 3.197 0.000 0.671) 3.267 1.978 ( -1.963 0.000 0.181) 1.972 2.062 ( 2.056 0.000 -1.028) 2.299 2.127 ( 2.577 0.000 1.089) 2.797 2.168 ( 0.310 0.000 -0.211) 0.375 2.184 ( 1.847 0.000 -0.096) 1.850 2.203 ( 3.235 0.000 1.297) 3.485 2.225 ( 1.231 0.000 3.359) 3.578 2.311 ( -0.330 0.000 -4.427) 4.440 2.325 ( 0.780 0.000 1.504) 1.694 2.333 ( -0.333 0.000 0.302) 0.449 2.410 ( 0.857 0.000 -0.970) 1.294 2.594 ( 2.150 0.000 -4.319) 4.825 2.667 ( -0.509 0.000 1.975) 2.040 2.685 ( -1.538 0.000 -0.205) 1.551 2.752 ( -2.097 0.000 2.093) 2.962 2.804 ( 4.434 0.000 -4.082) 6.027 2.850 ( -1.227 0.000 -0.420) 1.297 2.885 ( -5.837 0.000 2.215) 6.244 2.932 ( 1.324 0.000 0.778) 1.536 2.976 ( -2.757 0.000 -1.077) 2.960 3.124 ( 1.761 0.000 3.253) 3.699 3.215 ( 4.994 0.000 -2.855) 5.752 3.228 ( 4.199 0.000 -0.305) 4.210 3.291 ( -5.692 0.000 6.531) 8.663 3.401 ( 4.421 0.000 -1.736) 4.750 3.419 ( -1.610 0.000 2.183) 2.713 3.469 ( 2.884 0.000 -1.153) 3.106 3.507 ( 6.269 0.000 -2.033) 6.590 3.622 ( -2.655 0.000 -1.832) 3.226 3.664 ( 0.897 0.000 1.496) 1.744 3.804 ( 10.765 0.000 -2.256) 10.999 3.983 ( -0.784 0.000 5.334) 5.391 4.064 ( 4.033 0.000 -1.056) 4.168 4.159 ( -3.607 0.000 3.340) 4.916 4.196 ( -2.984 0.000 -2.463) 3.869 4.206 ( -1.491 0.000 -2.126) 2.597 4.314 ( 5.511 0.000 -1.489) 5.709 4.480 ( -10.723 0.000 -0.949) 10.765 4.585 ( -7.593 0.000 2.647) 8.041 4.683 ( 0.098 0.000 -1.955) 1.958 4.781 ( 2.026 0.000 3.901) 4.396 4.850 ( -0.735 0.000 1.330) 1.519 4.880 ( -4.584 0.000 -4.931) 6.732 5.027 ( 0.373 0.000 0.817) 0.898 5.052 ( -2.460 0.000 0.590) 2.530 5.082 ( -1.445 0.000 1.148) 1.846 5.145 ( -1.070 0.000 -1.369) 1.738 5.154 ( 1.421 0.000 0.524) 1.514 5.160 ( 0.268 0.000 -0.494) 0.562 5.440 ( -6.565 0.000 0.163) 6.567 5.453 ( -5.001 0.000 -0.826) 5.069 6.474 ( -0.122 0.000 -0.655) 0.666 6.527 ( 1.631 0.000 2.248) 2.777 6.546 ( 1.078 0.000 -1.302) 1.690 6.697 ( -1.824 0.000 -1.082) 2.121 6.989 ( 3.291 0.000 1.092) 3.468 7.051 ( -1.992 0.000 -1.218) 2.335 7.139 ( 2.866 0.000 0.884) 3.000 7.139 ( -2.631 0.000 -0.054) 2.632 7.754 ( -1.642 0.000 -2.496) 2.987 7.943 ( 4.878 0.000 5.686) 7.492 7.999 ( -4.838 0.000 -2.989) 5.687 8.106 ( 1.105 0.000 5.231) 5.347 8.286 ( -4.809 0.000 -6.331) 7.950 8.358 ( -1.664 0.000 1.049) 1.967 8.453 ( -0.700 0.000 -0.162) 0.719 8.464 ( -2.197 0.000 -3.058) 3.765 8.615 ( -0.033 0.000 -0.268) 0.270 8.723 ( 2.990 0.000 2.697) 4.027 8.791 ( 0.381 0.000 1.113) 1.176 8.847 ( -0.216 0.000 -0.239) 0.322 9.244 ( 0.472 0.000 -1.402) 1.479 9.372 ( 3.914 0.000 4.079) 5.654 9.590 ( 1.127 0.000 -0.629) 1.291 9.660 ( 1.558 0.000 -2.725) 3.139 9.844 ( 4.528 0.000 0.397) 4.545 9.903 ( 6.798 0.000 -3.766) 7.772 9.938 ( -0.043 0.000 1.568) 1.568 9.994 ( -4.834 0.000 4.729) 6.763 10.553 ( -0.166 0.000 3.504) 3.508 10.768 ( -5.702 0.000 -6.795) 8.870 10.798 ( -3.324 0.000 0.783) 3.415 11.022 ( -0.468 0.000 -2.967) 3.003 11.133 ( -4.932 0.000 1.435) 5.137 11.305 ( -1.580 0.000 1.379) 2.097 11.618 ( -2.663 0.000 -1.186) 2.915 11.755 ( -0.941 0.000 1.410) 1.695 ======================= Grid point 13 (8/81) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 0.000 11.965 0.000) 11.965 0.243 ( 0.000 14.753 0.000) 14.753 0.503 ( 0.000 21.218 0.000) 21.218 0.702 ( 0.000 -7.894 0.000) 7.894 0.758 ( 0.000 2.650 0.000) 2.650 0.828 ( 0.000 -5.735 0.000) 5.735 0.926 ( 0.000 7.116 0.000) 7.116 0.947 ( 0.000 -0.725 0.000) 0.725 1.096 ( 0.000 3.419 0.000) 3.419 1.108 ( 0.000 3.820 0.000) 3.820 1.195 ( 0.000 8.562 0.000) 8.562 1.201 ( 0.000 1.177 0.000) 1.177 1.225 ( 0.000 1.398 0.000) 1.398 1.238 ( 0.000 4.107 0.000) 4.107 1.341 ( 0.000 -0.276 0.000) 0.276 1.412 ( 0.000 1.124 0.000) 1.124 1.434 ( 0.000 -1.462 0.000) 1.462 1.470 ( 0.000 1.213 0.000) 1.213 1.542 ( 0.000 -0.867 0.000) 0.867 1.581 ( 0.000 6.658 0.000) 6.658 1.609 ( 0.000 2.623 0.000) 2.623 1.615 ( 0.000 -1.441 0.000) 1.441 1.673 ( 0.000 -0.348 0.000) 0.348 1.688 ( 0.000 2.054 0.000) 2.054 1.714 ( 0.000 0.728 0.000) 0.728 1.804 ( 0.000 4.166 0.000) 4.166 1.848 ( 0.000 1.406 0.000) 1.406 1.895 ( 0.000 -1.029 0.000) 1.029 2.020 ( 0.000 4.740 0.000) 4.740 2.030 ( 0.000 1.144 0.000) 1.144 2.043 ( 0.000 -4.034 0.000) 4.034 2.071 ( 0.000 -0.738 0.000) 0.738 2.161 ( 0.000 -1.064 0.000) 1.064 2.224 ( 0.000 0.697 0.000) 0.697 2.293 ( 0.000 3.606 0.000) 3.606 2.342 ( 0.000 -1.779 0.000) 1.779 2.403 ( 0.000 -2.948 0.000) 2.948 2.477 ( 0.000 -9.823 0.000) 9.823 2.493 ( 0.000 -9.103 0.000) 9.103 2.657 ( 0.000 -11.555 0.000) 11.555 2.822 ( 0.000 0.904 0.000) 0.904 2.871 ( 0.000 -3.276 0.000) 3.276 2.954 ( 0.000 -1.743 0.000) 1.743 2.978 ( 0.000 -0.792 0.000) 0.792 3.316 ( 0.000 1.621 0.000) 1.621 3.366 ( 0.000 4.521 0.000) 4.521 3.406 ( 0.000 -2.621 0.000) 2.621 3.560 ( 0.000 -2.369 0.000) 2.369 3.791 ( 0.000 0.643 0.000) 0.643 3.801 ( 0.000 -0.703 0.000) 0.703 4.016 ( 0.000 5.838 0.000) 5.838 4.115 ( 0.000 2.963 0.000) 2.963 4.152 ( 0.000 2.344 0.000) 2.344 4.187 ( 0.000 0.775 0.000) 0.775 4.349 ( 0.000 -3.538 0.000) 3.538 4.398 ( 0.000 -3.331 0.000) 3.331 4.625 ( 0.000 0.221 0.000) 0.221 4.689 ( 0.000 -2.714 0.000) 2.714 4.865 ( 0.000 4.028 0.000) 4.028 5.005 ( 0.000 -1.083 0.000) 1.083 5.061 ( 0.000 -0.464 0.000) 0.464 5.105 ( 0.000 -0.969 0.000) 0.969 5.311 ( 0.000 3.371 0.000) 3.371 5.354 ( 0.000 0.766 0.000) 0.766 5.588 ( 0.000 0.128 0.000) 0.128 5.700 ( 0.000 -3.472 0.000) 3.472 5.815 ( 0.000 -2.374 0.000) 2.374 5.836 ( 0.000 -1.758 0.000) 1.758 5.993 ( 0.000 0.851 0.000) 0.851 6.000 ( 0.000 -1.723 0.000) 1.723 6.031 ( 0.000 3.819 0.000) 3.819 6.181 ( 0.000 0.259 0.000) 0.259 6.210 ( 0.000 -1.854 0.000) 1.854 6.389 ( 0.000 -9.417 0.000) 9.417 6.686 ( 0.000 2.049 0.000) 2.049 6.719 ( 0.000 0.691 0.000) 0.691 6.927 ( 0.000 4.607 0.000) 4.607 7.020 ( 0.000 0.694 0.000) 0.694 7.212 ( 0.000 -0.802 0.000) 0.802 7.232 ( 0.000 -1.934 0.000) 1.934 7.368 ( 0.000 4.144 0.000) 4.144 7.399 ( 0.000 -1.417 0.000) 1.417 7.592 ( 0.000 5.316 0.000) 5.316 7.712 ( 0.000 -0.056 0.000) 0.056 7.823 ( 0.000 -3.522 0.000) 3.522 7.855 ( 0.000 -6.648 0.000) 6.648 8.003 ( 0.000 3.064 0.000) 3.064 8.111 ( 0.000 -1.550 0.000) 1.550 8.505 ( 0.000 0.441 0.000) 0.441 8.569 ( 0.000 -0.285 0.000) 0.285 8.732 ( 0.000 2.670 0.000) 2.670 8.790 ( 0.000 -2.248 0.000) 2.248 9.048 ( 0.000 0.686 0.000) 0.686 9.211 ( 0.000 -5.824 0.000) 5.824 9.417 ( 0.000 1.623 0.000) 1.623 9.432 ( 0.000 -0.076 0.000) 0.076 9.515 ( 0.000 -0.126 0.000) 0.126 9.526 ( 0.000 -0.768 0.000) 0.768 9.974 ( 0.000 14.743 0.000) 14.743 10.545 ( 0.000 -9.634 0.000) 9.634 10.644 ( 0.000 4.497 0.000) 4.497 10.883 ( 0.000 -6.508 0.000) 6.508 11.287 ( 0.000 4.707 0.000) 4.707 11.524 ( 0.000 -4.803 0.000) 4.803 11.912 ( 0.000 15.108 0.000) 15.108 12.348 ( 0.000 -4.662 0.000) 4.662 13.343 ( 0.000 0.154 0.000) 0.154 13.444 ( 0.000 -3.702 0.000) 3.702 ======================= Grid point 14 (9/81) ======================= q-point: ( 0.08 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 12.208 9.006 -0.499) 15.179 0.430 ( 11.143 6.990 7.628) 15.206 0.698 ( 13.620 4.937 4.356) 15.128 0.737 ( 6.735 0.967 0.119) 6.805 0.815 ( 5.910 1.364 -3.005) 6.769 0.909 ( 6.271 -1.009 0.271) 6.357 1.004 ( 6.405 0.728 1.235) 6.563 1.063 ( 10.380 -1.616 1.699) 10.642 1.121 ( 2.616 9.140 -3.634) 10.178 1.157 ( 5.564 2.930 -0.397) 6.300 1.219 ( 2.605 2.227 -1.160) 3.618 1.235 ( 4.626 2.361 0.052) 5.194 1.281 ( 2.191 4.359 0.398) 4.895 1.283 ( 4.539 3.933 3.000) 6.714 1.403 ( 6.766 2.057 3.967) 8.108 1.472 ( 3.105 -0.433 -1.390) 3.429 1.491 ( 4.219 -1.086 0.503) 4.385 1.539 ( 8.893 -1.157 1.648) 9.118 1.578 ( 3.222 -2.132 0.490) 3.895 1.628 ( 4.431 2.145 2.738) 5.633 1.659 ( 3.527 6.726 1.207) 7.690 1.707 ( 5.403 1.801 0.381) 5.708 1.728 ( 4.450 -0.451 1.773) 4.811 1.751 ( 3.829 1.521 1.271) 4.312 1.784 ( 5.806 -3.364 1.875) 6.967 1.848 ( 7.213 3.665 1.746) 8.277 1.868 ( 5.992 1.811 -2.146) 6.618 1.932 ( 3.312 -1.075 -0.697) 3.551 2.023 ( 1.062 1.850 -0.135) 2.137 2.039 ( 1.369 1.922 1.222) 2.657 2.059 ( 3.101 0.813 -0.859) 3.319 2.134 ( 4.645 -1.803 -1.745) 5.279 2.158 ( 2.347 0.700 -1.740) 3.004 2.227 ( -0.028 -0.617 -3.231) 3.289 2.297 ( 0.636 2.170 -1.966) 2.996 2.325 ( -4.069 0.314 1.224) 4.260 2.381 ( 2.109 -1.102 0.165) 2.385 2.431 ( 1.650 -1.835 1.741) 3.020 2.490 ( 0.700 -6.459 -0.080) 6.497 2.627 ( 2.339 -10.929 -1.874) 11.333 2.785 ( -2.655 0.600 0.092) 2.724 2.854 ( -1.533 -3.185 -0.568) 3.580 2.909 ( 0.142 -0.899 0.436) 1.009 2.936 ( -2.068 -2.427 -1.735) 3.630 3.289 ( -2.399 1.911 -0.039) 3.067 3.345 ( -0.665 4.332 -0.275) 4.391 3.403 ( -1.937 -1.706 -0.103) 2.583 3.590 ( -4.900 -6.454 0.446) 8.115 3.672 ( -9.856 0.860 1.760) 10.048 3.728 ( -3.269 -3.151 -0.132) 4.542 3.926 ( -11.342 5.742 1.681) 12.823 4.067 ( -10.006 -0.776 -4.122) 10.850 4.139 ( 0.585 4.776 -1.594) 5.069 4.219 ( -0.472 -1.219 1.413) 1.925 4.261 ( -3.684 -0.935 1.404) 4.052 4.389 ( 1.154 -4.592 -0.861) 4.813 4.723 ( -3.098 1.939 -0.731) 3.727 4.773 ( 5.271 -1.112 3.148) 6.240 4.888 ( 3.849 -2.827 -3.502) 5.922 4.986 ( -2.374 -3.115 1.039) 4.052 5.011 ( -4.680 0.204 -0.362) 4.699 5.082 ( -2.270 -3.027 -6.565) 7.577 5.293 ( -6.820 1.257 0.472) 6.951 5.389 ( -4.335 -1.804 -2.154) 5.166 5.515 ( -10.777 2.001 -1.213) 11.028 5.558 ( -12.534 1.870 3.196) 13.070 5.690 ( -3.575 -0.883 0.559) 3.725 5.784 ( 3.517 -5.224 2.745) 6.870 5.902 ( -0.057 1.826 -0.644) 1.937 6.026 ( -3.125 -3.638 -1.726) 5.097 6.134 ( 4.319 -1.907 -3.143) 5.672 6.250 ( 8.453 -15.260 0.716) 17.459 6.409 ( 6.380 -0.722 7.233) 9.672 6.482 ( -2.371 -4.730 -1.803) 5.590 6.672 ( 0.292 1.079 -3.932) 4.088 6.747 ( 4.938 -0.482 1.617) 5.218 6.902 ( -0.294 4.269 -2.974) 5.211 7.050 ( -3.925 0.531 2.341) 4.600 7.210 ( -4.197 2.757 -3.242) 5.977 7.328 ( 8.421 2.471 2.245) 9.059 7.404 ( 0.512 -4.980 -4.796) 6.933 7.473 ( 18.754 -5.388 -1.534) 19.573 7.694 ( 7.108 3.620 2.689) 8.418 7.741 ( 3.136 0.945 -1.569) 3.632 7.857 ( 9.275 -6.691 -4.610) 12.331 7.946 ( 3.061 -3.163 0.160) 4.404 8.049 ( 6.429 -0.501 3.227) 7.211 8.175 ( 9.122 -5.527 -0.975) 10.711 8.528 ( 5.413 1.934 -9.775) 11.340 8.642 ( 6.303 -1.733 -1.820) 6.785 8.762 ( 2.087 1.992 1.867) 3.437 8.837 ( 3.737 -3.670 6.077) 8.023 9.029 ( -0.945 2.212 -2.393) 3.393 9.200 ( -1.601 -4.876 0.653) 5.173 9.362 ( -3.724 2.013 -0.312) 4.245 9.454 ( -1.584 -1.938 0.574) 2.568 9.489 ( 0.997 0.201 -2.153) 2.381 9.518 ( -0.985 -1.206 -0.740) 1.724 10.038 ( 4.333 12.700 6.107) 14.743 10.329 ( -15.685 9.318 -3.246) 18.530 10.618 ( -3.012 5.486 1.280) 6.388 10.914 ( 2.851 -7.846 1.068) 8.416 11.278 ( -1.274 1.372 0.446) 1.924 11.478 ( -4.055 -5.227 -1.766) 6.847 11.793 ( -10.026 20.762 5.748) 23.761 12.317 ( -6.404 1.986 3.497) 7.562 12.856 ( -35.460 13.532 14.272) 40.548 13.245 ( -18.134 -5.568 -5.693) 19.806 ======================= Grid point 15 (10/81) ======================= q-point: ( 0.15 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 15.479 3.529 -0.670) 15.890 0.665 ( 9.519 3.399 5.175) 11.355 0.870 ( 5.207 -3.503 -1.088) 6.370 0.899 ( 11.118 1.277 -1.162) 11.251 0.997 ( 8.248 -1.608 1.936) 8.624 1.020 ( 7.437 -4.492 -2.486) 9.037 1.145 ( 4.224 8.359 -0.141) 9.366 1.171 ( 5.229 3.584 0.040) 6.340 1.208 ( 3.571 0.409 4.104) 5.455 1.257 ( 3.681 0.305 -0.070) 3.695 1.302 ( 7.499 1.825 0.811) 7.760 1.365 ( 6.645 5.308 2.567) 8.883 1.390 ( 7.355 1.600 1.544) 7.683 1.403 ( 7.393 4.395 3.315) 9.218 1.529 ( 4.749 1.275 1.777) 5.228 1.537 ( 4.392 -1.156 -0.928) 4.636 1.592 ( 4.333 4.615 -1.551) 6.517 1.628 ( 2.683 -1.961 1.336) 3.582 1.648 ( 2.967 -3.086 3.279) 5.393 1.711 ( 2.307 4.349 -0.488) 4.947 1.771 ( 3.626 5.673 -1.327) 6.862 1.799 ( 8.342 -1.224 0.475) 8.445 1.846 ( 7.098 -1.774 -0.811) 7.361 1.894 ( 6.433 0.420 4.042) 7.609 1.915 ( 8.196 1.049 0.334) 8.270 1.974 ( 3.328 -1.365 -1.206) 3.794 1.999 ( 8.133 0.881 1.631) 8.342 2.050 ( 4.385 -0.616 -2.403) 5.038 2.053 ( 4.068 0.911 -1.062) 4.302 2.107 ( 6.799 -1.492 0.686) 6.994 2.153 ( 1.148 -2.979 -1.240) 3.425 2.176 ( 5.103 2.219 -0.986) 5.651 2.229 ( 5.689 -3.346 -0.324) 6.608 2.273 ( 7.343 -1.757 -2.228) 7.872 2.321 ( 3.729 1.343 0.007) 3.964 2.376 ( 6.989 1.445 -0.256) 7.142 2.443 ( 4.536 -1.444 0.111) 4.762 2.477 ( 3.080 -3.366 0.818) 4.635 2.547 ( 5.935 0.219 -0.603) 5.969 2.713 ( 8.672 -2.048 -2.604) 9.284 2.792 ( 3.978 -3.591 0.763) 5.414 2.835 ( 1.265 -1.000 -0.797) 1.799 2.920 ( 2.863 -2.369 0.722) 3.785 2.974 ( 5.762 -2.336 -1.186) 6.329 3.233 ( -3.428 0.950 1.049) 3.708 3.327 ( -1.276 3.258 0.966) 3.630 3.359 ( -2.257 -1.783 -1.316) 3.163 3.469 ( -6.660 -3.537 0.851) 7.589 3.498 ( -9.538 2.959 2.923) 10.405 3.639 ( -6.929 -2.299 -1.319) 7.418 3.746 ( -8.958 1.441 0.877) 9.116 3.790 ( -12.390 0.275 -1.462) 12.479 4.072 ( -5.829 4.418 3.583) 8.144 4.160 ( -5.680 0.542 -3.823) 6.868 4.300 ( 3.357 -0.716 -1.752) 3.853 4.404 ( -0.847 -5.071 0.663) 5.183 4.591 ( -5.367 4.403 -2.607) 7.416 4.768 ( -8.716 -3.801 -3.018) 9.976 4.864 ( -10.217 0.977 -0.833) 10.298 4.875 ( -0.251 -0.252 3.190) 3.210 4.959 ( -5.808 -3.245 -3.721) 7.623 4.971 ( -4.086 -3.215 -0.064) 5.200 5.123 ( -8.361 -0.232 0.381) 8.373 5.188 ( -7.815 -2.013 -0.631) 8.095 5.328 ( -10.287 2.470 1.257) 10.654 5.358 ( -8.963 1.480 1.240) 9.169 5.680 ( -5.117 2.918 -0.534) 5.915 5.770 ( -7.190 -0.990 1.319) 7.377 5.865 ( -8.296 -2.681 -0.941) 8.769 5.990 ( 1.501 -3.112 2.834) 4.468 6.161 ( -7.160 -4.853 -2.160) 8.915 6.303 ( 7.368 -4.269 -1.637) 8.671 6.445 ( -2.739 -0.783 2.316) 3.671 6.532 ( 4.830 -6.930 -3.470) 9.133 6.607 ( -5.034 2.471 -4.592) 7.248 6.696 ( -5.020 -0.384 5.089) 7.159 6.918 ( -2.816 4.836 1.769) 5.869 7.032 ( 2.239 0.899 2.257) 3.304 7.088 ( -3.851 4.851 -3.048) 6.903 7.294 ( -3.880 -4.211 -9.861) 11.403 7.608 ( 12.210 3.563 3.846) 13.288 7.627 ( 2.859 4.429 -0.616) 5.307 7.824 ( 6.708 -4.758 2.989) 8.750 7.899 ( 5.203 -3.783 -1.572) 6.623 8.019 ( 10.651 -2.623 1.617) 11.088 8.067 ( 11.306 -6.063 -4.836) 13.710 8.251 ( 14.521 0.180 2.611) 14.755 8.432 ( 16.935 -6.215 -3.589) 18.393 8.568 ( 5.760 1.550 -12.171) 13.554 8.726 ( 3.993 -5.152 -5.542) 8.556 8.821 ( 2.574 3.300 2.942) 5.116 8.950 ( 0.916 -3.298 2.717) 4.370 9.013 ( 0.286 3.049 3.502) 4.652 9.150 ( -4.673 -2.549 2.999) 6.110 9.299 ( -0.440 0.810 -2.945) 3.085 9.418 ( -0.547 -0.175 -1.380) 1.495 9.484 ( -1.344 -0.429 -0.990) 1.724 9.520 ( 2.374 -4.458 -2.468) 5.622 10.064 ( -10.756 16.277 2.630) 19.686 10.180 ( 3.638 5.886 10.188) 12.316 10.564 ( -3.706 8.623 2.654) 9.753 10.981 ( 2.559 -10.019 2.463) 10.630 11.242 ( -2.383 0.267 -1.070) 2.626 11.374 ( -5.093 -4.195 -2.829) 7.179 11.666 ( -8.660 18.759 8.976) 22.527 12.116 ( -14.654 15.337 -4.143) 21.613 12.409 ( -23.490 -6.779 16.480) 29.484 12.781 ( -24.390 -7.948 -9.414) 27.325 ======================= Grid point 16 (11/81) ======================= q-point: ( 0.23 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 4.719 0.959 2.428) 5.392 0.872 ( 7.680 1.524 1.426) 7.959 0.939 ( 4.919 -0.861 -2.798) 5.724 1.077 ( 4.320 2.780 -0.328) 5.147 1.101 ( 5.159 1.193 1.606) 5.533 1.171 ( 6.578 -4.539 -1.003) 8.055 1.203 ( 6.417 0.090 -0.607) 6.446 1.262 ( 5.029 0.230 -0.197) 5.038 1.291 ( 3.431 0.471 3.538) 4.951 1.323 ( 3.303 -0.600 0.534) 3.399 1.453 ( 4.805 2.095 0.255) 5.248 1.462 ( 4.535 1.438 3.827) 6.105 1.502 ( 5.833 1.950 0.697) 6.190 1.560 ( 4.601 0.026 1.171) 4.748 1.592 ( 1.953 1.478 -1.855) 3.073 1.615 ( 2.588 -0.678 0.209) 2.684 1.644 ( 1.798 6.765 -0.897) 7.057 1.688 ( 3.353 -0.364 0.788) 3.463 1.714 ( 3.977 -0.205 3.183) 5.098 1.770 ( 4.590 -1.310 0.145) 4.776 1.828 ( 3.566 1.394 -3.190) 4.984 1.916 ( -0.364 0.594 -5.074) 5.121 1.925 ( 4.296 1.873 -0.319) 4.697 1.966 ( 4.183 -0.547 0.331) 4.232 1.991 ( 2.084 -0.150 -0.996) 2.315 2.075 ( 2.538 -2.147 -3.502) 4.829 2.111 ( 1.248 0.763 2.316) 2.739 2.130 ( 9.849 -1.316 0.554) 9.952 2.164 ( 2.242 -1.371 2.569) 3.675 2.184 ( 3.083 -1.745 -1.628) 3.899 2.195 ( 8.281 -0.846 -0.183) 8.326 2.262 ( 4.343 0.269 0.775) 4.420 2.330 ( 4.821 -3.659 1.655) 6.275 2.371 ( 5.058 -1.515 -0.803) 5.341 2.422 ( 5.536 1.087 0.832) 5.703 2.501 ( 4.771 1.847 2.949) 5.905 2.561 ( 8.056 -3.096 -0.905) 8.678 2.652 ( 11.729 -0.003 -0.257) 11.732 2.658 ( 5.669 1.458 0.166) 5.856 2.885 ( 5.335 -6.387 0.567) 8.342 2.903 ( 10.930 4.144 -0.219) 11.692 2.944 ( 7.535 -2.851 -1.268) 8.155 3.035 ( 9.964 0.726 -0.153) 9.991 3.116 ( 7.609 -0.256 -0.972) 7.675 3.197 ( -0.090 -0.319 0.890) 0.950 3.296 ( -3.589 -0.478 -0.409) 3.644 3.310 ( -2.642 1.574 1.507) 3.424 3.373 ( -5.094 5.336 3.411) 8.127 3.389 ( -0.220 -4.687 -0.532) 4.722 3.503 ( -5.990 -0.679 2.353) 6.471 3.580 ( -4.225 1.797 -2.638) 5.295 3.670 ( -3.104 -0.876 -0.547) 3.271 3.970 ( -7.514 1.597 4.276) 8.792 4.030 ( -5.349 0.851 -3.086) 6.234 4.250 ( -4.442 -1.335 -4.231) 6.278 4.353 ( -4.901 -3.357 -0.511) 5.962 4.506 ( -7.827 3.690 -0.246) 8.657 4.618 ( -3.255 -1.383 -0.834) 3.634 4.716 ( -1.150 0.271 -2.560) 2.819 4.790 ( -8.554 -2.394 0.326) 8.888 4.850 ( -3.969 -0.945 -1.072) 4.219 4.873 ( -4.950 -1.396 -0.257) 5.150 5.019 ( -4.979 -0.097 1.840) 5.308 5.081 ( -4.867 -1.993 1.620) 5.504 5.192 ( -5.446 3.096 -0.280) 6.271 5.229 ( -4.289 1.691 -1.174) 4.757 5.537 ( -9.240 1.895 -1.134) 9.501 5.570 ( -13.797 2.020 2.782) 14.219 5.675 ( -12.716 -3.758 2.016) 13.412 5.819 ( -14.319 -9.470 -1.017) 17.197 6.051 ( -9.095 3.812 -3.541) 10.478 6.177 ( -16.735 -0.082 -1.370) 16.791 6.412 ( 1.059 -0.497 1.308) 1.755 6.527 ( -2.147 -4.284 -0.790) 4.857 6.571 ( 1.175 3.932 -1.243) 4.288 6.755 ( 0.891 -3.135 4.037) 5.188 6.901 ( 1.255 3.243 0.550) 3.521 7.011 ( 0.547 3.246 2.280) 4.005 7.101 ( -0.559 -1.748 0.919) 2.053 7.196 ( 0.390 -1.113 -4.828) 4.970 7.627 ( 3.021 3.827 -3.060) 5.756 7.816 ( 2.440 -3.010 -3.333) 5.111 7.932 ( 4.964 0.273 1.088) 5.089 8.015 ( 9.520 -0.875 4.158) 10.425 8.169 ( 6.921 -1.075 -1.534) 7.170 8.282 ( 10.968 -6.475 -1.404) 12.814 8.545 ( 12.321 1.145 3.500) 12.859 8.584 ( 3.421 1.706 -10.390) 11.071 8.708 ( 8.410 -5.313 2.757) 10.322 8.724 ( 2.791 -4.905 -5.733) 8.045 8.833 ( -4.077 3.054 1.075) 5.206 8.907 ( -7.041 0.269 1.623) 7.231 8.976 ( -3.065 4.492 1.109) 5.550 9.128 ( 2.359 -0.884 -0.922) 2.683 9.348 ( 4.553 0.981 1.528) 4.902 9.430 ( 2.306 -0.693 -1.969) 3.111 9.484 ( 4.072 -1.792 -2.421) 5.065 9.547 ( 2.776 -5.636 -4.111) 7.508 9.944 ( -4.933 14.844 6.259) 16.848 10.278 ( -0.167 -2.911 8.526) 9.010 10.521 ( -2.898 12.663 4.177) 13.645 11.025 ( -0.804 -12.103 6.070) 13.564 11.178 ( -2.715 2.102 -3.814) 5.132 11.268 ( -3.585 -1.463 -4.981) 6.309 11.568 ( -7.442 12.287 7.722) 16.310 11.784 ( -15.794 13.560 -6.465) 21.798 12.115 ( -18.081 -10.276 10.578) 23.333 12.299 ( -20.069 -7.475 -8.507) 23.044 ======================= Grid point 17 (12/81) ======================= q-point: ( 0.31 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -1.479 0.106 1.609) 2.188 0.905 ( -1.532 -1.659 0.879) 2.423 0.991 ( -1.243 4.871 0.490) 5.051 1.082 ( -2.287 4.590 1.617) 5.377 1.181 ( 2.728 2.244 1.103) 3.701 1.299 ( 7.103 -2.962 2.000) 7.951 1.319 ( 2.292 -2.177 -1.435) 3.471 1.353 ( 3.316 -1.419 -0.977) 3.737 1.379 ( 8.059 -2.531 -2.354) 8.769 1.413 ( 4.672 -2.255 0.813) 5.251 1.500 ( 3.755 0.833 -1.919) 4.298 1.566 ( 2.935 0.241 -0.447) 2.979 1.593 ( 2.826 1.469 1.703) 3.612 1.612 ( 2.457 -2.155 1.778) 3.720 1.632 ( 2.490 2.601 0.396) 3.623 1.671 ( 2.446 2.333 0.318) 3.395 1.682 ( 6.260 2.282 -1.173) 6.765 1.754 ( 2.850 0.366 0.774) 2.975 1.801 ( 2.828 -2.740 -0.209) 3.943 1.841 ( 1.320 -0.679 0.120) 1.490 1.860 ( 2.375 2.127 -3.582) 4.795 1.896 ( 4.242 -3.303 -2.591) 5.968 1.969 ( 2.098 -1.119 -1.857) 3.017 2.020 ( 3.046 1.074 -1.049) 3.396 2.053 ( 2.931 2.330 1.903) 4.200 2.099 ( 2.770 -0.721 -2.702) 3.936 2.144 ( 1.113 0.748 1.556) 2.054 2.194 ( 0.783 1.404 1.025) 1.907 2.216 ( 2.135 0.990 1.385) 2.730 2.270 ( 0.083 0.540 0.251) 0.601 2.292 ( 4.365 -1.485 0.163) 4.613 2.387 ( 7.702 -3.229 -0.391) 8.361 2.408 ( 3.966 0.336 -0.595) 4.024 2.482 ( 4.753 -2.102 -2.670) 5.843 2.556 ( 9.732 -0.523 4.490) 10.731 2.609 ( 3.572 -2.697 2.844) 5.303 2.709 ( 6.559 -0.110 0.822) 6.612 2.768 ( 6.154 0.618 0.125) 6.186 2.811 ( 6.727 -3.623 0.056) 7.641 2.959 ( 2.751 -6.059 -0.681) 6.689 3.019 ( 1.238 0.751 -0.275) 1.474 3.066 ( 3.229 3.038 0.002) 4.434 3.104 ( -0.764 1.502 -1.451) 2.224 3.196 ( -0.301 -2.038 -1.352) 2.464 3.246 ( -1.572 0.975 -0.033) 1.851 3.261 ( 4.421 -0.037 -1.150) 4.569 3.302 ( 2.640 1.410 1.871) 3.529 3.378 ( 3.329 2.680 3.334) 5.420 3.399 ( 1.342 0.497 2.831) 3.172 3.512 ( 4.654 1.469 1.499) 5.105 3.597 ( 4.902 -0.903 -1.758) 5.286 3.661 ( 2.330 0.154 -0.357) 2.362 3.874 ( -3.909 0.393 3.507) 5.266 3.946 ( -0.812 -0.250 -1.387) 1.626 4.171 ( -1.274 -1.405 -3.431) 3.920 4.256 ( -3.141 -2.849 -1.863) 4.632 4.345 ( -7.042 4.572 -0.612) 8.418 4.514 ( -9.367 -2.916 1.659) 9.950 4.700 ( -0.244 1.114 -4.040) 4.198 4.736 ( 1.969 -0.105 -1.137) 2.276 4.777 ( -3.016 -0.510 -0.695) 3.137 4.803 ( -3.140 -0.923 1.296) 3.520 4.958 ( -2.709 0.236 1.635) 3.173 4.997 ( -3.945 -0.510 1.284) 4.180 5.124 ( -3.509 2.018 2.016) 4.522 5.150 ( -4.051 1.264 -2.618) 4.986 5.305 ( -13.294 1.767 3.265) 13.802 5.363 ( -9.774 1.434 -1.642) 10.014 5.422 ( -14.908 -3.455 1.758) 15.404 5.514 ( -16.606 -4.910 -1.453) 17.377 5.815 ( -11.647 2.419 -2.277) 12.111 5.874 ( -14.814 0.047 -0.666) 14.829 6.438 ( 0.932 -1.021 1.055) 1.739 6.486 ( -1.276 -2.155 0.575) 2.569 6.580 ( 0.056 5.162 -1.624) 5.412 6.770 ( -0.914 -2.685 2.954) 4.095 6.876 ( -0.746 0.878 -2.410) 2.671 6.992 ( -0.060 -4.244 -4.696) 6.330 7.180 ( 0.698 3.048 -0.024) 3.127 7.200 ( 1.134 1.203 6.363) 6.574 7.693 ( 4.396 1.491 1.019) 4.753 7.828 ( 1.618 -3.807 -0.100) 4.138 7.976 ( 1.215 2.396 -1.138) 2.917 8.156 ( 2.573 -5.091 -4.645) 7.356 8.322 ( 8.417 1.518 4.823) 9.819 8.424 ( 5.933 -2.659 -3.972) 7.619 8.543 ( -3.239 0.941 -3.502) 4.862 8.664 ( -3.800 -2.888 -2.451) 5.365 8.690 ( -3.242 1.627 1.105) 3.792 8.724 ( -9.091 -0.068 0.722) 9.120 8.748 ( 0.956 0.320 2.325) 2.534 8.820 ( -1.614 -0.763 1.946) 2.640 9.047 ( 8.733 3.267 -0.392) 9.332 9.209 ( 6.394 -1.057 -2.696) 7.019 9.444 ( 4.591 2.035 1.527) 5.249 9.476 ( 3.762 -0.469 0.251) 3.799 9.577 ( 5.663 -4.135 -5.092) 8.666 9.612 ( 7.703 -2.526 -1.266) 8.204 9.942 ( 0.144 10.501 5.730) 11.964 10.271 ( -4.361 -1.779 5.108) 6.948 10.508 ( -1.884 9.501 5.505) 11.141 11.011 ( -6.272 -9.353 10.500) 15.397 11.103 ( -1.925 1.078 -7.791) 8.097 11.175 ( -2.418 0.269 -7.943) 8.307 11.432 ( -11.415 3.322 -4.137) 12.588 11.511 ( -9.834 9.955 4.160) 14.599 11.860 ( -12.269 -7.087 2.047) 14.316 11.956 ( -13.342 -4.324 -2.351) 14.221 ======================= Grid point 18 (13/81) ======================= q-point: ( 0.38 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -3.129 0.340 1.721) 3.588 0.861 ( -2.978 -0.404 0.361) 3.026 0.949 ( -2.988 3.960 2.938) 5.766 1.047 ( -2.401 0.704 1.578) 2.958 1.200 ( -1.014 4.386 1.549) 4.761 1.292 ( -1.834 0.761 -2.487) 3.183 1.380 ( 0.430 -2.510 -3.285) 4.156 1.398 ( 1.632 -3.720 -0.853) 4.151 1.479 ( 4.460 -2.864 1.671) 5.558 1.541 ( 8.809 -2.947 -2.268) 9.561 1.578 ( 4.010 1.299 -0.639) 4.263 1.601 ( 2.654 0.587 0.730) 2.815 1.649 ( 1.971 2.397 0.557) 3.153 1.679 ( 3.308 0.045 -0.029) 3.308 1.700 ( 4.583 -2.175 0.190) 5.076 1.735 ( 4.170 2.093 0.476) 4.690 1.768 ( 2.356 0.501 -1.675) 2.934 1.814 ( 2.462 -1.283 0.977) 2.944 1.848 ( 2.902 0.961 1.609) 3.454 1.867 ( 3.537 1.023 0.175) 3.686 1.896 ( 2.671 -0.010 -2.243) 3.488 1.979 ( 3.386 -0.172 -1.256) 3.616 2.005 ( 2.723 -1.943 -0.526) 3.387 2.077 ( 3.458 -0.224 -0.931) 3.588 2.118 ( 3.228 1.879 1.830) 4.160 2.141 ( -1.129 0.654 1.682) 2.129 2.156 ( 3.399 0.725 -2.234) 4.131 2.210 ( 0.722 1.873 1.150) 2.314 2.265 ( 1.547 -0.163 0.818) 1.757 2.272 ( 0.344 -1.376 1.933) 2.398 2.326 ( 0.503 -0.790 -2.412) 2.588 2.460 ( 3.441 1.572 -0.741) 3.855 2.516 ( 4.799 -3.713 -1.482) 6.246 2.564 ( 6.393 -2.789 -3.546) 7.824 2.647 ( 0.573 -4.114 0.584) 4.194 2.719 ( 4.003 -3.281 0.653) 5.216 2.781 ( -0.220 0.806 1.219) 1.478 2.854 ( 1.456 1.078 -0.309) 1.838 2.895 ( -0.303 -1.904 3.350) 3.866 2.983 ( -0.560 0.311 1.367) 1.510 3.036 ( 2.740 -3.324 -0.276) 4.316 3.082 ( 0.924 4.806 0.270) 4.902 3.111 ( 1.565 -1.304 0.917) 2.234 3.177 ( 0.376 0.883 -3.333) 3.469 3.244 ( 3.917 -2.724 1.915) 5.142 3.320 ( 1.993 -1.415 -1.984) 3.147 3.338 ( 0.715 1.163 3.048) 3.340 3.422 ( 2.678 -0.113 2.092) 3.400 3.535 ( 3.026 3.267 -0.663) 4.502 3.592 ( 4.506 1.981 3.134) 5.836 3.681 ( 4.621 1.682 -1.088) 5.037 3.692 ( 2.967 1.566 -2.970) 4.481 3.899 ( 3.038 -0.183 4.528) 5.456 3.988 ( 3.350 -1.723 0.735) 3.838 4.159 ( 1.593 0.293 -1.690) 2.340 4.232 ( 0.522 -2.581 -0.639) 2.710 4.248 ( -1.861 2.317 -3.592) 4.662 4.349 ( -8.277 -1.361 0.594) 8.410 4.670 ( -3.459 0.428 -2.760) 4.446 4.678 ( -5.417 0.080 -2.735) 6.069 4.742 ( -3.161 -0.469 2.167) 3.861 4.765 ( -1.345 -0.946 2.145) 2.703 4.901 ( -5.884 2.601 3.743) 7.442 4.985 ( -0.325 1.204 -0.694) 1.427 5.027 ( -2.983 -0.056 -1.217) 3.222 5.067 ( -3.818 0.223 1.122) 3.986 5.156 ( -5.305 -1.831 -0.783) 5.666 5.175 ( -11.213 -2.340 0.889) 11.489 5.204 ( -4.612 2.041 0.242) 5.049 5.265 ( -7.708 -0.324 -1.158) 7.801 5.608 ( -9.797 0.748 -1.125) 9.890 5.623 ( -11.366 0.046 -0.291) 11.369 6.465 ( 1.301 -0.420 0.973) 1.678 6.492 ( 1.017 -1.022 1.052) 1.785 6.557 ( -0.543 3.643 -1.935) 4.160 6.727 ( -3.494 -3.562 -1.152) 5.121 6.912 ( 4.768 1.771 0.320) 5.096 7.021 ( 4.087 -2.934 -0.288) 5.040 7.140 ( -2.720 2.206 -1.438) 3.786 7.201 ( -3.795 -0.533 1.405) 4.081 7.811 ( 5.542 1.584 6.035) 8.345 7.837 ( -1.022 1.216 -2.880) 3.289 8.004 ( 1.019 -1.752 6.015) 6.347 8.093 ( -4.451 -4.631 -6.417) 9.079 8.431 ( -3.779 1.341 -1.337) 4.227 8.444 ( -0.816 1.331 -1.290) 2.025 8.468 ( 0.164 1.168 -3.216) 3.425 8.549 ( -5.462 -0.922 -3.421) 6.511 8.597 ( -1.869 -1.592 2.103) 3.232 8.640 ( -0.513 -1.165 0.871) 1.543 8.787 ( 0.221 1.358 3.514) 3.774 8.831 ( 0.852 -0.379 1.499) 1.766 9.174 ( 4.595 0.094 -1.292) 4.774 9.313 ( 5.803 -0.130 -0.142) 5.807 9.512 ( 1.559 -1.381 -2.040) 2.915 9.568 ( 6.090 -1.143 1.356) 6.343 9.698 ( 8.036 -0.325 0.641) 8.068 9.749 ( 7.298 -1.400 -1.629) 7.608 9.990 ( 1.500 6.618 3.160) 7.486 10.206 ( -4.455 4.257 2.705) 6.729 10.506 ( -1.951 3.717 5.311) 6.770 10.926 ( -8.567 -4.767 6.326) 11.668 10.982 ( -4.891 3.292 -8.907) 10.682 11.087 ( -1.422 -1.075 -8.975) 9.151 11.198 ( -9.740 0.397 -1.560) 9.873 11.374 ( -8.388 0.345 3.877) 9.247 11.704 ( -5.410 -1.809 -1.523) 5.904 11.772 ( -6.118 -2.290 2.446) 6.976 ======================= Grid point 19 (14/81) ======================= q-point: ( 0.46 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -1.203 2.222 0.746) 2.634 0.820 ( -1.466 -0.200 0.498) 1.561 0.933 ( -0.299 2.167 1.654) 2.743 1.005 ( -2.275 -2.270 0.093) 3.215 1.188 ( -0.606 6.152 0.381) 6.194 1.261 ( -0.457 1.015 -0.199) 1.130 1.350 ( -0.699 -1.746 -2.384) 3.037 1.401 ( -0.080 -4.950 -0.377) 4.965 1.549 ( 1.803 -1.202 0.509) 2.225 1.631 ( 1.574 2.009 1.152) 2.800 1.651 ( 1.623 1.327 0.491) 2.153 1.662 ( 3.364 -2.371 -0.147) 4.119 1.670 ( 0.891 2.250 -1.679) 2.945 1.730 ( 2.011 0.019 -0.023) 2.011 1.772 ( 2.515 -2.630 -0.166) 3.642 1.792 ( 0.834 4.313 -0.384) 4.409 1.816 ( 3.116 1.115 0.083) 3.311 1.836 ( 0.188 -0.615 1.312) 1.461 1.903 ( 1.592 0.106 -1.126) 1.953 1.925 ( 0.689 -0.682 -0.066) 0.971 1.941 ( 3.335 -0.206 1.296) 3.584 2.005 ( 0.012 -0.162 -0.064) 0.175 2.024 ( -0.224 0.408 -1.482) 1.553 2.128 ( 1.949 -2.630 0.393) 3.297 2.141 ( 0.723 -3.147 -0.178) 3.234 2.184 ( 1.443 -1.510 0.796) 2.235 2.196 ( 1.407 -1.146 1.064) 2.104 2.229 ( 0.845 1.369 -0.437) 1.667 2.277 ( -0.587 -1.520 2.206) 2.743 2.301 ( 0.396 -0.292 1.337) 1.425 2.307 ( 0.664 1.426 -4.433) 4.704 2.510 ( 2.021 4.649 -0.527) 5.096 2.573 ( 0.356 -5.270 0.550) 5.311 2.615 ( 2.767 1.091 -1.416) 3.294 2.700 ( 2.785 -0.052 -1.358) 3.099 2.735 ( -3.230 -1.538 1.219) 3.780 2.747 ( 2.470 -3.632 -2.800) 5.209 2.822 ( -3.108 -2.376 1.009) 4.040 2.901 ( -0.075 -0.557 1.006) 1.152 2.944 ( -3.815 3.187 0.797) 5.035 3.031 ( -0.749 3.709 -0.558) 3.825 3.117 ( 0.222 -2.884 -0.058) 2.894 3.162 ( 2.361 0.042 5.089) 5.610 3.198 ( 1.231 -4.779 -3.005) 5.778 3.297 ( -0.473 -2.445 0.543) 2.549 3.381 ( 3.747 0.302 -0.417) 3.782 3.386 ( 1.536 -0.047 2.358) 2.815 3.483 ( 3.918 0.726 1.579) 4.286 3.562 ( 1.175 2.481 -2.281) 3.569 3.636 ( -0.350 3.430 -1.424) 3.731 3.719 ( 1.945 2.272 0.642) 3.059 3.816 ( 7.347 0.320 -2.176) 7.669 3.979 ( 1.103 0.483 4.523) 4.681 4.049 ( 3.910 -1.609 0.412) 4.248 4.158 ( -5.316 -1.043 0.323) 5.427 4.161 ( -3.674 -0.047 1.585) 4.002 4.245 ( 1.418 1.773 -3.486) 4.160 4.304 ( 4.779 -1.100 -2.495) 5.502 4.490 ( -9.695 1.483 0.140) 9.808 4.589 ( -5.652 -1.333 0.589) 5.837 4.661 ( -3.016 0.251 -0.194) 3.032 4.770 ( 0.594 -2.684 0.876) 2.885 4.861 ( -0.435 2.527 3.475) 4.319 4.918 ( -3.513 2.611 -3.623) 5.681 4.984 ( -2.010 -1.637 0.409) 2.624 5.045 ( -1.916 -3.204 0.674) 3.794 5.086 ( 1.819 -0.495 0.773) 2.038 5.121 ( 0.362 -0.255 -1.425) 1.492 5.160 ( -0.402 1.489 -0.057) 1.543 5.197 ( -0.715 1.470 -0.007) 1.634 5.447 ( -5.610 0.739 0.261) 5.664 5.462 ( -5.328 0.506 -0.685) 5.395 6.481 ( 0.117 0.647 -0.258) 0.706 6.523 ( 1.180 -0.911 1.232) 1.934 6.557 ( 0.761 1.602 -0.800) 1.945 6.669 ( -1.412 -2.628 -1.029) 3.156 7.004 ( 3.352 1.517 0.814) 3.768 7.057 ( -1.357 0.234 -0.701) 1.545 7.123 ( 1.267 -0.884 0.255) 1.565 7.137 ( -1.457 -0.573 0.401) 1.617 7.770 ( -2.157 1.789 -2.343) 3.652 7.928 ( -1.728 -4.179 0.935) 4.618 7.979 ( 2.010 1.571 1.649) 3.038 8.088 ( 1.648 -2.010 4.461) 5.163 8.306 ( -4.794 2.213 -4.354) 6.844 8.405 ( -1.304 3.334 1.090) 3.742 8.427 ( -2.841 -1.986 -3.015) 4.595 8.470 ( -0.376 0.270 -1.656) 1.719 8.606 ( 0.227 -0.398 0.467) 0.654 8.683 ( 2.071 -3.092 1.231) 3.920 8.812 ( 0.536 1.327 1.779) 2.283 8.844 ( -0.119 -0.318 0.487) 0.594 9.213 ( 1.080 -0.238 -1.067) 1.536 9.412 ( 3.372 -6.034 1.281) 7.030 9.506 ( -0.422 3.441 -1.591) 3.814 9.666 ( 2.891 -1.199 0.404) 3.156 9.830 ( 4.431 -0.517 0.808) 4.534 9.847 ( 2.999 -1.031 -0.202) 3.178 10.019 ( 0.263 4.538 0.837) 4.622 10.160 ( -1.301 7.630 0.850) 7.787 10.500 ( -1.207 0.859 2.963) 3.312 10.777 ( -5.089 0.057 -3.471) 6.161 10.889 ( -2.405 4.759 -0.087) 5.333 11.028 ( 1.095 -2.934 -7.621) 8.239 11.059 ( -5.997 -1.512 4.315) 7.541 11.274 ( -3.210 -3.501 0.861) 4.828 11.627 ( -2.003 1.157 -0.328) 2.336 11.728 ( -1.039 -2.522 1.270) 3.009 ======================= Grid point 26 (15/81) ======================= q-point: ( 0.00 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.000 -11.680 0.000) 11.680 0.472 ( 0.000 11.680 0.000) 11.680 0.553 ( 0.000 -14.289 0.000) 14.289 0.553 ( 0.000 14.289 0.000) 14.289 0.815 ( 0.000 -1.396 0.000) 1.396 0.815 ( 0.000 1.396 0.000) 1.396 1.011 ( 0.000 -4.416 0.000) 4.416 1.011 ( 0.000 4.416 0.000) 4.416 1.109 ( 0.000 -0.871 0.000) 0.871 1.109 ( 0.000 0.871 0.000) 0.871 1.231 ( 0.000 -1.995 0.000) 1.995 1.231 ( 0.000 1.995 0.000) 1.995 1.313 ( 0.000 -4.289 0.000) 4.289 1.313 ( 0.000 4.289 0.000) 4.289 1.354 ( 0.000 -1.598 0.000) 1.598 1.354 ( 0.000 1.598 0.000) 1.598 1.484 ( 0.000 -4.037 0.000) 4.037 1.484 ( 0.000 4.037 0.000) 4.037 1.511 ( 0.000 -2.881 0.000) 2.881 1.511 ( 0.000 2.881 0.000) 2.881 1.643 ( 0.000 -3.477 0.000) 3.477 1.643 ( 0.000 3.477 0.000) 3.477 1.708 ( 0.000 -0.324 0.000) 0.324 1.708 ( 0.000 0.324 0.000) 0.324 1.800 ( 0.000 -7.587 0.000) 7.587 1.800 ( 0.000 7.587 0.000) 7.587 1.897 ( 0.000 -1.187 0.000) 1.187 1.897 ( 0.000 1.187 0.000) 1.187 2.011 ( 0.000 -2.792 0.000) 2.792 2.011 ( 0.000 2.792 0.000) 2.792 2.073 ( 0.000 -0.726 0.000) 0.726 2.073 ( 0.000 0.726 0.000) 0.726 2.209 ( 0.000 -4.770 0.000) 4.770 2.209 ( 0.000 4.770 0.000) 4.770 2.327 ( 0.000 -0.715 0.000) 0.715 2.327 ( 0.000 0.715 0.000) 0.715 2.351 ( 0.000 -0.827 0.000) 0.827 2.351 ( 0.000 0.827 0.000) 0.827 2.434 ( 0.000 -8.569 0.000) 8.569 2.434 ( 0.000 8.569 0.000) 8.569 2.821 ( 0.000 -0.465 0.000) 0.465 2.821 ( 0.000 0.465 0.000) 0.465 2.955 ( 0.000 -1.354 0.000) 1.354 2.955 ( 0.000 1.354 0.000) 1.354 3.353 ( 0.000 -2.249 0.000) 2.249 3.353 ( 0.000 2.249 0.000) 2.249 3.475 ( 0.000 -5.651 0.000) 5.651 3.475 ( 0.000 5.651 0.000) 5.651 3.797 ( 0.000 -0.012 0.000) 0.012 3.797 ( 0.000 0.012 0.000) 0.012 4.131 ( 0.000 -4.124 0.000) 4.124 4.131 ( 0.000 4.124 0.000) 4.124 4.180 ( 0.000 -1.482 0.000) 1.482 4.180 ( 0.000 1.482 0.000) 1.482 4.328 ( 0.000 -2.516 0.000) 2.516 4.328 ( 0.000 2.516 0.000) 2.516 4.642 ( 0.000 -1.681 0.000) 1.681 4.642 ( 0.000 1.681 0.000) 1.681 4.949 ( 0.000 -3.976 0.000) 3.976 4.949 ( 0.000 3.976 0.000) 3.976 5.077 ( 0.000 -1.570 0.000) 1.570 5.077 ( 0.000 1.570 0.000) 1.570 5.361 ( 0.000 -0.800 0.000) 0.800 5.361 ( 0.000 0.800 0.000) 0.800 5.623 ( 0.000 -3.627 0.000) 3.627 5.623 ( 0.000 3.627 0.000) 3.627 5.794 ( 0.000 -0.762 0.000) 0.762 5.794 ( 0.000 0.762 0.000) 0.762 5.993 ( 0.000 -0.250 0.000) 0.250 5.993 ( 0.000 0.250 0.000) 0.250 6.128 ( 0.000 -4.932 0.000) 4.932 6.128 ( 0.000 4.932 0.000) 4.932 6.239 ( 0.000 -5.041 0.000) 5.041 6.239 ( 0.000 5.041 0.000) 5.041 6.716 ( 0.000 -0.969 0.000) 0.969 6.716 ( 0.000 0.969 0.000) 0.969 7.008 ( 0.000 -2.689 0.000) 2.689 7.008 ( 0.000 2.689 0.000) 2.689 7.201 ( 0.000 -0.658 0.000) 0.658 7.201 ( 0.000 0.658 0.000) 0.658 7.402 ( 0.000 -0.480 0.000) 0.480 7.402 ( 0.000 0.480 0.000) 0.480 7.706 ( 0.000 -5.263 0.000) 5.263 7.706 ( 0.000 5.263 0.000) 5.263 7.755 ( 0.000 -1.876 0.000) 1.876 7.755 ( 0.000 1.876 0.000) 1.876 8.065 ( 0.000 -2.947 0.000) 2.947 8.065 ( 0.000 2.947 0.000) 2.947 8.537 ( 0.000 -2.393 0.000) 2.393 8.537 ( 0.000 2.393 0.000) 2.393 8.763 ( 0.000 -0.670 0.000) 0.670 8.763 ( 0.000 0.670 0.000) 0.670 9.101 ( 0.000 -4.572 0.000) 4.572 9.101 ( 0.000 4.572 0.000) 4.572 9.433 ( 0.000 -0.092 0.000) 0.092 9.433 ( 0.000 0.092 0.000) 0.092 9.515 ( 0.000 -0.290 0.000) 0.290 9.515 ( 0.000 0.290 0.000) 0.290 10.288 ( 0.000 -15.344 0.000) 15.344 10.288 ( 0.000 15.344 0.000) 15.344 10.754 ( 0.000 -6.177 0.000) 6.177 10.754 ( 0.000 6.177 0.000) 6.177 11.408 ( 0.000 -6.656 0.000) 6.656 11.408 ( 0.000 6.656 0.000) 6.656 12.190 ( 0.000 -11.406 0.000) 11.406 12.190 ( 0.000 11.406 0.000) 11.406 13.370 ( 0.000 -2.881 0.000) 2.881 13.370 ( 0.000 2.881 0.000) 2.881 ======================= Grid point 28 (16/81) ======================= q-point: ( 0.08 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 6.954 -5.818 2.902) 9.520 0.551 ( 6.954 5.818 2.902) 9.520 0.656 ( 7.987 -8.460 1.968) 11.800 0.656 ( 7.987 8.460 1.968) 11.800 0.879 ( 6.737 -3.581 -2.778) 8.120 0.879 ( 6.737 3.581 -2.778) 8.120 1.089 ( 5.042 -0.427 3.219) 5.997 1.089 ( 5.042 0.427 3.219) 5.997 1.166 ( 5.798 -2.215 -0.318) 6.215 1.166 ( 5.798 2.215 -0.318) 6.215 1.267 ( 4.082 -2.165 0.605) 4.660 1.267 ( 4.082 2.165 0.605) 4.660 1.347 ( 4.080 -6.040 -2.388) 7.670 1.347 ( 4.080 6.040 -2.388) 7.670 1.450 ( 8.556 -4.955 2.176) 10.124 1.450 ( 8.556 4.955 2.176) 10.124 1.519 ( 2.211 -4.019 1.176) 4.736 1.519 ( 2.211 4.019 1.176) 4.736 1.545 ( 2.707 -5.692 1.272) 6.430 1.545 ( 2.707 5.692 1.272) 6.430 1.705 ( 5.487 -0.947 1.720) 5.828 1.705 ( 5.487 0.947 1.720) 5.828 1.772 ( 6.674 -2.563 -0.672) 7.180 1.772 ( 6.674 2.563 -0.672) 7.180 1.856 ( 5.490 -6.380 1.860) 8.620 1.856 ( 5.490 6.380 1.860) 8.620 1.900 ( 1.331 -2.519 -0.205) 2.856 1.900 ( 1.331 2.519 -0.205) 2.856 2.035 ( 2.285 -2.788 -0.638) 3.661 2.035 ( 2.285 2.788 -0.638) 3.661 2.105 ( 3.798 -0.312 -1.259) 4.013 2.105 ( 3.798 0.312 -1.259) 4.013 2.209 ( 0.417 -3.576 -2.262) 4.252 2.209 ( 0.417 3.576 -2.262) 4.252 2.321 ( 0.302 -1.369 -1.172) 1.828 2.321 ( 0.302 1.369 -1.172) 1.828 2.373 ( 0.969 -1.840 0.296) 2.100 2.373 ( 0.969 1.840 0.296) 2.100 2.448 ( 3.807 -4.712 0.492) 6.078 2.448 ( 3.807 4.712 0.492) 6.078 2.799 ( -1.423 -1.536 -0.184) 2.102 2.799 ( -1.423 1.536 -0.184) 2.102 2.902 ( -2.425 -0.517 -0.606) 2.552 2.902 ( -2.425 0.517 -0.606) 2.552 3.343 ( -1.362 -3.142 -0.958) 3.556 3.343 ( -1.362 3.142 -0.958) 3.556 3.458 ( -3.265 -6.258 1.814) 7.288 3.458 ( -3.265 6.258 1.814) 7.288 3.692 ( -7.338 -1.030 1.559) 7.572 3.692 ( -7.338 1.030 1.559) 7.572 4.021 ( -12.238 -3.617 -2.311) 12.969 4.021 ( -12.238 3.617 -2.311) 12.969 4.220 ( 4.850 -1.570 -0.299) 5.107 4.220 ( 4.850 1.570 -0.299) 5.107 4.278 ( -4.140 -5.595 0.453) 6.975 4.278 ( -4.140 5.595 0.453) 6.975 4.749 ( 5.031 -1.201 0.930) 5.256 4.749 ( 5.031 1.201 0.930) 5.256 4.905 ( -3.240 -3.700 -1.448) 5.127 4.905 ( -3.240 3.700 -1.448) 5.127 5.035 ( -4.737 -1.779 0.159) 5.062 5.035 ( -4.737 1.779 0.159) 5.062 5.337 ( -6.596 -2.872 -0.920) 7.252 5.337 ( -6.596 2.872 -0.920) 7.252 5.559 ( -14.905 -1.764 -0.075) 15.009 5.559 ( -14.905 1.764 -0.075) 15.009 5.700 ( 6.376 -2.574 1.832) 7.116 5.700 ( 6.376 2.574 1.832) 7.116 5.950 ( -0.814 -3.191 -1.313) 3.546 5.950 ( -0.814 3.191 -1.313) 3.546 6.122 ( 2.637 -2.230 -3.660) 5.032 6.122 ( 2.637 2.230 -3.660) 5.032 6.412 ( 2.768 -1.637 3.267) 4.584 6.412 ( 2.768 1.637 3.267) 4.584 6.718 ( 2.533 -2.440 -1.197) 3.715 6.718 ( 2.533 2.440 -1.197) 3.715 6.995 ( -1.837 -4.574 -2.184) 5.392 6.995 ( -1.837 4.574 -2.184) 5.392 7.284 ( 3.360 -4.660 -0.863) 5.809 7.284 ( 3.360 4.660 -0.863) 5.809 7.404 ( 7.011 -3.053 0.376) 7.656 7.404 ( 7.011 3.053 0.376) 7.656 7.754 ( 4.174 -0.313 -1.374) 4.405 7.754 ( 4.174 0.313 -1.374) 4.405 7.849 ( 6.625 -4.944 2.986) 8.790 7.849 ( 6.625 4.944 2.986) 8.790 8.083 ( 4.710 -3.579 0.731) 5.961 8.083 ( 4.710 3.579 0.731) 5.961 8.583 ( 5.993 -3.379 -7.416) 10.116 8.583 ( 5.993 3.379 -7.416) 10.116 8.797 ( 2.969 -1.441 2.716) 4.274 8.797 ( 2.969 1.441 2.716) 4.274 9.101 ( -0.152 -4.723 0.175) 4.729 9.101 ( -0.152 4.723 0.175) 4.729 9.403 ( -2.976 -2.312 -0.020) 3.768 9.403 ( -2.976 2.312 -0.020) 3.768 9.502 ( -0.618 -0.675 -1.321) 1.607 9.502 ( -0.618 0.675 -1.321) 1.607 10.277 ( -2.332 -9.606 2.283) 10.145 10.277 ( -2.332 9.606 2.283) 10.145 10.754 ( -0.203 -7.731 1.884) 7.960 10.754 ( -0.203 7.731 1.884) 7.960 11.364 ( -3.072 -5.927 -2.912) 7.283 11.364 ( -3.072 5.927 -2.912) 7.283 12.157 ( -6.740 -14.771 9.258) 18.691 12.157 ( -6.740 14.771 9.258) 18.691 13.093 ( -24.981 -9.574 -3.268) 26.952 13.093 ( -24.981 9.574 -3.268) 26.952 ======================= Grid point 30 (17/81) ======================= q-point: ( 0.15 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 8.613 -0.781 4.249) 9.636 0.735 ( 8.613 0.781 4.249) 9.636 0.819 ( 10.007 -5.402 -2.229) 11.588 0.819 ( 10.007 5.402 -2.229) 11.588 0.994 ( 7.218 -3.139 -1.915) 8.101 0.994 ( 7.218 3.139 -1.915) 8.101 1.187 ( 3.147 -1.144 2.895) 4.427 1.187 ( 3.147 1.144 2.895) 4.427 1.249 ( 2.890 -1.620 -0.802) 3.409 1.249 ( 2.890 1.620 -0.802) 3.409 1.406 ( 7.407 -2.960 2.458) 8.347 1.406 ( 7.407 2.960 2.458) 8.347 1.437 ( 6.027 -1.550 0.068) 6.223 1.437 ( 6.027 1.550 0.068) 6.223 1.548 ( 1.730 -2.785 2.802) 4.313 1.548 ( 1.730 2.785 2.802) 4.313 1.582 ( 2.272 -4.901 0.650) 5.441 1.582 ( 2.272 4.901 0.650) 5.441 1.681 ( 10.869 -3.739 -0.742) 11.518 1.681 ( 10.869 3.739 -0.742) 11.518 1.814 ( 4.391 -1.350 1.160) 4.738 1.814 ( 4.391 1.350 1.160) 4.738 1.888 ( 5.449 -2.635 -2.508) 6.552 1.888 ( 5.449 2.635 -2.508) 6.552 1.958 ( 4.755 -2.934 4.057) 6.905 1.958 ( 4.755 2.934 4.057) 6.905 2.005 ( 4.535 -3.999 0.569) 6.073 2.005 ( 4.535 3.999 0.569) 6.073 2.082 ( 4.560 -2.194 -0.360) 5.073 2.082 ( 4.560 2.194 -0.360) 5.073 2.157 ( 0.977 -2.707 -3.549) 4.569 2.157 ( 0.977 2.707 -3.549) 4.569 2.221 ( 5.291 -2.723 -1.806) 6.219 2.221 ( 5.291 2.723 -1.806) 6.219 2.378 ( 3.088 -3.708 0.828) 4.896 2.378 ( 3.088 3.708 0.828) 4.896 2.419 ( 8.371 -2.825 0.405) 8.844 2.419 ( 8.371 2.825 0.405) 8.844 2.595 ( 10.263 -5.559 -1.237) 11.737 2.595 ( 10.263 5.559 -1.237) 11.737 2.805 ( 2.897 -2.219 0.503) 3.684 2.805 ( 2.897 2.219 0.503) 3.684 2.917 ( 5.160 -2.414 -1.110) 5.804 2.917 ( 5.160 2.414 -1.110) 5.804 3.290 ( -3.361 -4.236 -0.592) 5.439 3.290 ( -3.361 4.236 -0.592) 5.439 3.390 ( -4.582 -3.330 3.283) 6.547 3.390 ( -4.582 3.330 3.283) 6.547 3.580 ( -6.250 -3.819 0.383) 7.334 3.580 ( -6.250 3.819 0.383) 7.334 3.776 ( -11.068 -1.299 -1.429) 11.235 3.776 ( -11.068 1.299 -1.429) 11.235 4.153 ( -6.890 -2.368 -0.899) 7.341 4.153 ( -6.890 2.368 -0.899) 7.341 4.313 ( 2.012 -3.020 0.434) 3.655 4.313 ( 2.012 3.020 0.434) 3.655 4.681 ( -6.971 -4.615 -2.950) 8.865 4.681 ( -6.971 4.615 -2.950) 8.865 4.888 ( -5.885 -0.428 1.994) 6.228 4.888 ( -5.885 0.428 1.994) 6.228 4.909 ( -3.981 -1.063 -2.165) 4.655 4.909 ( -3.981 1.063 -2.165) 4.655 5.145 ( -8.648 -1.969 0.379) 8.877 5.145 ( -8.648 1.969 0.379) 8.877 5.366 ( -8.431 -0.876 0.928) 8.527 5.366 ( -8.431 0.876 0.928) 8.527 5.742 ( -4.874 -2.476 1.356) 5.632 5.742 ( -4.874 2.476 1.356) 5.632 5.863 ( -8.420 -4.355 -0.218) 9.483 5.863 ( -8.420 4.355 -0.218) 9.483 6.200 ( 5.328 -5.181 -2.258) 7.768 6.200 ( 5.328 5.181 -2.258) 7.768 6.450 ( 1.943 -1.657 -0.065) 2.554 6.450 ( 1.943 1.657 -0.065) 2.554 6.666 ( -5.254 -2.638 -0.553) 5.905 6.666 ( -5.254 2.638 -0.553) 5.905 6.997 ( 1.316 -3.103 1.462) 3.674 6.997 ( 1.316 3.103 1.462) 3.674 7.200 ( -5.494 -5.136 -5.528) 9.334 7.200 ( -5.494 5.136 -5.528) 9.334 7.683 ( 12.703 -3.722 3.834) 13.781 7.683 ( 12.703 3.722 3.834) 13.781 7.777 ( 2.515 -5.199 -0.954) 5.854 7.777 ( 2.515 5.199 -0.954) 5.854 8.012 ( 8.817 -1.074 -0.256) 8.886 8.012 ( 8.817 1.074 -0.256) 8.886 8.306 ( 15.931 -5.007 2.601) 16.900 8.306 ( 15.931 5.007 2.601) 16.900 8.631 ( 5.377 -3.955 -12.429) 14.109 8.631 ( 5.377 3.955 -12.429) 14.109 8.892 ( 3.952 -3.149 2.519) 5.646 8.892 ( 3.952 3.149 2.519) 5.646 9.087 ( -2.425 -3.520 2.590) 4.998 9.087 ( -2.425 3.520 2.590) 4.998 9.355 ( -1.038 -4.341 0.108) 4.465 9.355 ( -1.038 4.341 0.108) 4.465 9.482 ( -0.295 -0.258 -2.442) 2.474 9.482 ( -0.295 0.258 -2.442) 2.474 10.227 ( -4.868 -2.028 4.808) 7.137 10.227 ( -4.868 2.028 4.808) 7.137 10.772 ( 0.026 -10.878 3.570) 11.449 10.772 ( 0.026 10.878 3.570) 11.449 11.288 ( -2.543 -3.911 -3.627) 5.909 11.288 ( -2.543 3.911 -3.627) 5.909 12.045 ( -12.040 -17.140 11.606) 23.947 12.045 ( -12.040 17.140 11.606) 23.947 12.551 ( -27.132 -14.604 -6.423) 31.475 12.551 ( -27.132 14.604 -6.423) 31.475 ======================= Grid point 32 (18/81) ======================= q-point: ( 0.23 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 2.933 -2.336 1.842) 4.178 0.861 ( 2.933 2.336 1.842) 4.178 1.013 ( 10.553 -7.265 -2.195) 12.998 1.013 ( 10.553 7.265 -2.195) 12.998 1.138 ( 8.950 -1.739 -0.938) 9.166 1.138 ( 8.950 1.739 -0.938) 9.166 1.217 ( -0.365 -3.288 1.918) 3.825 1.217 ( -0.365 3.288 1.918) 3.825 1.310 ( 2.792 -1.759 1.560) 3.649 1.310 ( 2.792 1.759 1.560) 3.649 1.490 ( 2.420 -0.763 0.161) 2.542 1.490 ( 2.420 0.763 0.161) 2.542 1.560 ( 5.586 -3.915 0.443) 6.835 1.560 ( 5.586 3.915 0.443) 6.835 1.594 ( 1.757 -1.888 0.809) 2.703 1.594 ( 1.757 1.888 0.809) 2.703 1.656 ( 4.827 -2.193 3.483) 6.344 1.656 ( 4.827 2.193 3.483) 6.344 1.762 ( -0.657 -1.955 -1.335) 2.457 1.762 ( -0.657 1.955 -1.335) 2.457 1.882 ( 2.286 -2.327 -4.679) 5.703 1.882 ( 2.286 2.327 -4.679) 5.703 1.970 ( 3.237 -2.756 -0.705) 4.309 1.970 ( 3.237 2.756 -0.705) 4.309 2.031 ( 3.158 -3.213 0.425) 4.525 2.031 ( 3.158 3.213 0.425) 4.525 2.090 ( 5.828 -0.616 -0.044) 5.860 2.090 ( 5.828 0.616 -0.044) 5.860 2.160 ( 3.625 -0.494 0.754) 3.735 2.160 ( 3.625 0.494 0.754) 3.735 2.229 ( 7.812 -4.018 1.015) 8.843 2.229 ( 7.812 4.018 1.015) 8.843 2.313 ( 4.522 -3.797 -0.706) 5.947 2.313 ( 4.522 3.797 -0.706) 5.947 2.468 ( 5.311 -2.568 0.908) 5.969 2.468 ( 5.311 2.568 0.908) 5.969 2.601 ( 8.103 -4.852 1.638) 9.585 2.601 ( 8.103 4.852 1.638) 9.585 2.742 ( 5.636 -6.380 -0.607) 8.534 2.742 ( 5.636 6.380 -0.607) 8.534 2.935 ( 9.417 -1.217 0.265) 9.499 2.935 ( 9.417 1.217 0.265) 9.499 3.077 ( 10.996 -3.110 -1.333) 11.505 3.077 ( 10.996 3.110 -1.333) 11.505 3.234 ( -1.893 -3.849 -0.859) 4.374 3.234 ( -1.893 3.849 -0.859) 4.374 3.341 ( -2.299 -1.336 2.708) 3.795 3.341 ( -2.299 1.336 2.708) 3.795 3.466 ( -5.065 -3.398 2.201) 6.484 3.466 ( -5.065 3.398 2.201) 6.484 3.629 ( -3.422 -2.804 -1.910) 4.819 3.629 ( -3.422 2.804 -1.910) 4.819 4.012 ( -7.441 -2.332 0.069) 7.798 4.012 ( -7.441 2.332 0.069) 7.798 4.276 ( -4.525 -3.652 -1.875) 6.109 4.276 ( -4.525 3.652 -1.875) 6.109 4.577 ( -5.086 -2.941 -0.227) 5.880 4.577 ( -5.086 2.941 -0.227) 5.880 4.739 ( -4.354 -2.210 -0.843) 4.955 4.739 ( -4.354 2.210 -0.843) 4.955 4.844 ( -3.590 -0.692 -2.049) 4.192 4.844 ( -3.590 0.692 -2.049) 4.192 5.043 ( -4.969 -1.873 2.798) 6.002 5.043 ( -4.969 1.873 2.798) 6.002 5.238 ( -5.067 -1.052 -0.940) 5.260 5.238 ( -5.067 1.052 -0.940) 5.260 5.590 ( -11.612 -2.890 1.614) 12.075 5.590 ( -11.612 2.890 1.614) 12.075 5.657 ( -12.444 -5.597 -0.033) 13.645 5.657 ( -12.444 5.597 -0.033) 13.645 6.130 ( -11.510 -3.724 -3.014) 12.468 6.130 ( -11.510 3.724 -3.014) 12.468 6.444 ( -0.870 -3.164 0.769) 3.370 6.444 ( -0.870 3.164 0.769) 3.370 6.667 ( 2.208 -4.984 1.737) 5.721 6.667 ( 2.208 4.984 1.737) 5.721 6.981 ( -3.754 -3.963 -1.641) 5.700 6.981 ( -3.754 3.963 -1.641) 5.700 7.145 ( 3.115 -3.698 0.729) 4.889 7.145 ( 3.115 3.698 0.729) 4.889 7.724 ( 0.451 -5.412 -3.872) 6.670 7.724 ( 0.451 5.412 -3.872) 6.670 7.970 ( 8.377 -3.010 1.540) 9.034 7.970 ( 8.377 3.010 1.540) 9.034 8.182 ( 9.687 -2.884 1.682) 10.246 8.182 ( 9.687 2.884 1.682) 10.246 8.591 ( 8.720 -2.685 0.572) 9.142 8.591 ( 8.720 2.685 0.572) 9.142 8.651 ( 5.734 -1.741 -6.693) 8.983 8.651 ( 5.734 1.741 -6.693) 8.983 8.887 ( -6.411 -1.995 0.636) 6.745 8.887 ( -6.411 1.995 0.636) 6.745 9.077 ( 1.782 -4.372 -0.359) 4.735 9.077 ( 1.782 4.372 -0.359) 4.735 9.393 ( 4.088 -3.155 1.740) 5.449 9.393 ( 4.088 3.155 1.740) 5.449 9.474 ( 2.071 -0.920 -3.542) 4.205 9.474 ( 2.071 0.920 -3.542) 4.205 10.173 ( -4.259 -8.024 6.423) 11.126 10.173 ( -4.259 8.024 6.423) 11.126 10.783 ( -1.941 -12.608 5.310) 13.818 10.783 ( -1.941 12.608 5.310) 13.818 11.226 ( -1.304 -2.511 -5.604) 6.278 11.226 ( -1.304 2.511 -5.604) 6.278 11.845 ( -16.565 -14.746 9.214) 24.015 11.845 ( -16.565 14.746 9.214) 24.015 12.082 ( -17.196 -13.662 -6.892) 23.019 12.082 ( -17.196 13.662 -6.892) 23.019 ======================= Grid point 34 (19/81) ======================= q-point: ( 0.31 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -1.623 -1.235 0.990) 2.267 0.877 ( -1.623 1.235 0.990) 2.267 1.096 ( -1.775 -4.541 0.531) 4.904 1.096 ( -1.775 4.541 0.531) 4.904 1.249 ( 3.231 -5.270 3.145) 6.936 1.249 ( 3.231 5.270 3.145) 6.936 1.306 ( 8.576 -3.418 -2.651) 9.605 1.306 ( 8.576 3.418 -2.651) 9.605 1.358 ( 2.039 -1.841 -0.631) 2.819 1.358 ( 2.039 1.841 -0.631) 2.819 1.540 ( 3.463 -3.472 -0.217) 4.908 1.540 ( 3.463 3.472 -0.217) 4.908 1.607 ( 1.331 -1.501 0.835) 2.173 1.607 ( 1.331 1.501 0.835) 2.173 1.671 ( 4.382 -2.047 0.771) 4.898 1.671 ( 4.382 2.047 0.771) 4.898 1.732 ( 0.042 -1.675 -2.518) 3.025 1.732 ( 0.042 1.675 -2.518) 3.025 1.782 ( 5.916 -3.408 2.892) 7.414 1.782 ( 5.916 3.408 2.892) 7.414 1.886 ( 1.704 -0.853 -3.491) 3.977 1.886 ( 1.704 0.853 -3.491) 3.977 1.993 ( 1.923 -3.078 -1.814) 4.057 1.993 ( 1.923 3.078 -1.814) 4.057 2.094 ( 2.776 -0.917 0.835) 3.041 2.094 ( 2.776 0.917 0.835) 3.041 2.192 ( 4.720 -4.368 -0.773) 6.478 2.192 ( 4.720 4.368 -0.773) 6.478 2.226 ( 1.715 -1.235 2.065) 2.954 2.226 ( 1.715 1.235 2.065) 2.954 2.329 ( 1.949 -2.574 -0.826) 3.332 2.329 ( 1.949 2.574 -0.826) 3.332 2.425 ( 6.919 -2.248 -0.239) 7.279 2.425 ( 6.919 2.248 -0.239) 7.279 2.566 ( 4.121 -1.656 2.051) 4.892 2.566 ( 4.121 1.656 2.051) 4.892 2.735 ( 6.588 -2.688 0.917) 7.174 2.735 ( 6.588 2.688 0.917) 7.174 2.836 ( 5.121 -5.342 0.316) 7.407 2.836 ( 5.121 5.342 0.316) 7.407 3.056 ( 1.327 -2.055 -0.119) 2.449 3.056 ( 1.327 2.055 -0.119) 2.449 3.159 ( -0.573 -2.025 -0.408) 2.143 3.159 ( -0.573 2.025 -0.408) 2.143 3.251 ( 3.295 -0.583 -3.039) 4.520 3.251 ( 3.295 0.583 -3.039) 4.520 3.345 ( 0.890 -2.543 2.577) 3.728 3.345 ( 0.890 2.543 2.577) 3.728 3.483 ( 4.478 -4.104 4.596) 7.617 3.483 ( 4.478 4.104 4.596) 7.617 3.633 ( 4.275 -2.907 -2.214) 5.624 3.633 ( 4.275 2.907 -2.214) 5.624 3.907 ( -2.850 -2.643 0.913) 3.992 3.907 ( -2.850 2.643 0.913) 3.992 4.193 ( -1.967 -2.892 -2.552) 4.329 4.193 ( -1.967 2.892 -2.552) 4.329 4.437 ( -8.358 -4.535 0.577) 9.526 4.437 ( -8.358 4.535 0.577) 9.526 4.723 ( 0.919 -1.051 -3.310) 3.592 4.723 ( 0.919 1.051 -3.310) 3.592 4.781 ( -2.284 -1.090 0.317) 2.550 4.781 ( -2.284 1.090 0.317) 2.550 4.978 ( -3.220 -1.309 2.711) 4.408 4.978 ( -3.220 1.309 2.711) 4.408 5.157 ( -3.628 -0.990 -0.930) 3.874 5.157 ( -3.628 0.990 -0.930) 3.874 5.349 ( -14.146 -3.182 1.404) 14.568 5.349 ( -14.146 3.182 1.404) 14.568 5.421 ( -12.295 -4.011 -0.301) 12.937 5.421 ( -12.295 4.011 -0.301) 12.937 5.858 ( -13.926 -1.620 -1.601) 14.111 5.858 ( -13.926 1.620 -1.601) 14.111 6.445 ( 0.253 -1.511 1.147) 1.914 6.445 ( 0.253 1.511 1.147) 1.914 6.686 ( -0.923 -5.175 -0.131) 5.258 6.686 ( -0.923 5.175 -0.131) 5.258 6.918 ( -0.020 -3.047 -2.843) 4.167 6.918 ( -0.020 3.047 -2.843) 4.167 7.214 ( 0.404 -0.254 2.752) 2.793 7.214 ( 0.404 0.254 2.752) 2.793 7.746 ( 3.274 -3.801 1.625) 5.274 7.746 ( 3.274 3.801 1.625) 5.274 8.050 ( 1.693 -4.877 -4.265) 6.697 8.050 ( 1.693 4.877 -4.265) 6.697 8.366 ( 7.463 -2.760 2.319) 8.288 8.366 ( 7.463 2.760 2.319) 8.288 8.589 ( -1.500 -3.436 -4.555) 5.900 8.589 ( -1.500 3.436 -4.555) 5.900 8.718 ( -8.537 -0.905 0.382) 8.593 8.718 ( -8.537 0.905 0.382) 8.593 8.782 ( 1.895 -2.411 3.102) 4.362 8.782 ( 1.895 2.411 3.102) 4.362 9.144 ( 6.164 -5.104 -3.005) 8.548 9.144 ( 6.164 5.104 -3.005) 8.548 9.466 ( 3.344 -0.636 -1.085) 3.573 9.466 ( 3.344 0.636 -1.085) 3.573 9.562 ( 7.953 -2.061 0.246) 8.220 9.562 ( 7.953 2.061 0.246) 8.220 10.146 ( -2.523 -9.137 5.425) 10.922 10.146 ( -2.523 9.137 5.425) 10.922 10.765 ( -3.824 -13.649 6.692) 15.675 10.765 ( -3.824 13.649 6.692) 15.675 11.156 ( -1.982 -2.207 -8.826) 9.312 11.156 ( -1.982 2.207 -8.826) 9.312 11.555 ( -16.523 -6.834 2.488) 18.053 11.555 ( -16.523 6.834 2.488) 18.053 11.832 ( -8.646 -6.217 -0.902) 10.688 11.832 ( -8.646 6.217 -0.902) 10.688 ======================= Grid point 36 (20/81) ======================= q-point: ( 0.38 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -2.516 -1.418 1.091) 3.088 0.838 ( -2.516 1.418 1.091) 3.088 1.033 ( -4.580 -3.156 2.022) 5.918 1.033 ( -4.580 3.156 2.022) 5.918 1.293 ( 0.068 -3.166 1.684) 3.586 1.293 ( 0.068 3.166 1.684) 3.586 1.343 ( -0.741 -0.555 -2.796) 2.945 1.343 ( -0.741 0.555 -2.796) 2.945 1.468 ( 8.414 -2.789 -1.580) 9.004 1.468 ( 8.414 2.789 -1.580) 9.004 1.620 ( 4.611 -2.661 0.149) 5.326 1.620 ( 4.611 2.661 0.149) 5.326 1.649 ( 2.398 -2.723 0.990) 3.762 1.649 ( 2.398 2.723 0.990) 3.762 1.720 ( 1.428 -3.294 -0.881) 3.697 1.720 ( 1.428 3.294 -0.881) 3.697 1.777 ( 4.735 -1.889 -0.139) 5.099 1.777 ( 4.735 1.889 -0.139) 5.099 1.878 ( 2.856 -1.710 -0.527) 3.371 1.878 ( 2.856 1.710 -0.527) 3.371 1.930 ( 3.737 -4.217 1.345) 5.793 1.930 ( 3.737 4.217 1.345) 5.793 2.026 ( 2.508 -3.513 -1.841) 4.692 2.026 ( 2.508 3.513 -1.841) 4.692 2.140 ( 1.005 -0.829 1.592) 2.058 2.140 ( 1.005 0.829 1.592) 2.058 2.220 ( -0.249 -4.117 -2.035) 4.600 2.220 ( -0.249 4.117 -2.035) 4.600 2.271 ( 0.966 -0.882 1.304) 1.847 2.271 ( 0.966 0.882 1.304) 1.847 2.358 ( 2.844 -5.923 0.418) 6.583 2.358 ( 2.844 5.923 0.418) 6.583 2.521 ( 5.574 -1.399 -3.457) 6.706 2.521 ( 5.574 1.399 -3.457) 6.706 2.644 ( 2.960 -3.485 1.268) 4.745 2.644 ( 2.960 3.485 1.268) 4.745 2.825 ( -0.384 -3.627 1.492) 3.941 2.825 ( -0.384 3.627 1.492) 3.941 2.919 ( 3.039 -4.849 -0.278) 5.729 2.919 ( 3.039 4.849 -0.278) 5.729 3.048 ( 0.392 -3.326 1.190) 3.555 3.048 ( 0.392 3.326 1.190) 3.555 3.173 ( 1.883 -4.095 2.362) 5.089 3.173 ( 1.883 4.095 2.362) 5.089 3.245 ( -0.529 -4.484 -4.210) 6.173 3.245 ( -0.529 4.484 -4.210) 6.173 3.401 ( 3.217 -2.457 3.439) 5.312 3.401 ( 3.217 2.457 3.439) 5.312 3.590 ( 2.336 -1.862 1.515) 3.350 3.590 ( 2.336 1.862 1.515) 3.350 3.708 ( 5.910 -0.551 -2.454) 6.423 3.708 ( 5.910 0.551 -2.454) 6.423 3.931 ( 2.695 -3.019 2.803) 4.923 3.931 ( 2.695 3.019 2.803) 4.923 4.185 ( 1.995 -2.029 -1.154) 3.070 4.185 ( 1.995 2.029 -1.154) 3.070 4.302 ( -5.464 -2.878 -1.728) 6.413 4.302 ( -5.464 2.878 -1.728) 6.413 4.677 ( -4.485 -0.236 -3.151) 5.486 4.677 ( -4.485 0.236 -3.151) 5.486 4.745 ( -2.944 -0.763 2.610) 4.008 4.745 ( -2.944 0.763 2.610) 4.008 4.961 ( -1.356 -2.716 2.589) 3.990 4.961 ( -1.356 2.716 2.589) 3.990 5.063 ( -5.572 -1.435 -1.179) 5.873 5.063 ( -5.572 1.435 -1.179) 5.873 5.128 ( -7.987 -0.787 -0.360) 8.034 5.128 ( -7.987 0.787 -0.360) 8.034 5.248 ( -5.132 -1.616 0.058) 5.381 5.248 ( -5.132 1.616 0.058) 5.381 5.620 ( -10.696 -0.410 -0.661) 10.724 5.620 ( -10.696 0.410 -0.661) 10.724 6.470 ( 1.531 -0.888 1.276) 2.182 6.470 ( 1.531 0.888 1.276) 2.182 6.642 ( -2.250 -4.603 -1.909) 5.467 6.642 ( -2.250 4.603 -1.909) 5.467 6.960 ( 4.629 -2.935 0.092) 5.482 6.960 ( 4.629 2.935 0.092) 5.482 7.180 ( -3.760 -1.603 -0.258) 4.096 7.180 ( -3.760 1.603 -0.258) 4.096 7.844 ( 3.245 -1.093 5.102) 6.145 7.844 ( 3.245 1.093 5.102) 6.145 8.006 ( -2.199 -2.833 -3.727) 5.172 8.006 ( -2.199 2.833 -3.727) 5.172 8.457 ( 1.269 -1.518 -1.123) 2.275 8.457 ( 1.269 1.518 -1.123) 2.275 8.504 ( -5.641 -3.274 -2.625) 7.031 8.504 ( -5.641 3.274 -2.625) 7.031 8.605 ( -1.280 -1.872 0.721) 2.380 8.605 ( -1.280 1.872 0.721) 2.380 8.815 ( 0.051 -1.224 3.237) 3.461 8.815 ( 0.051 1.224 3.237) 3.461 9.234 ( 4.537 -5.107 -3.303) 7.588 9.234 ( 4.537 5.107 -3.303) 7.588 9.535 ( 4.210 -2.069 0.757) 4.751 9.535 ( 4.210 2.069 0.757) 4.751 9.718 ( 7.766 -1.652 0.572) 7.960 9.718 ( 7.766 1.652 0.572) 7.960 10.138 ( -1.208 -7.473 2.927) 8.116 10.138 ( -1.208 7.473 2.927) 8.116 10.724 ( -4.626 -13.446 6.240) 15.528 10.724 ( -4.626 13.446 6.240) 15.528 11.042 ( -3.712 -2.264 -10.408) 11.280 11.042 ( -3.712 2.264 -10.408) 11.280 11.302 ( -11.130 -6.778 1.087) 13.077 11.302 ( -11.130 6.778 1.087) 13.077 11.715 ( -4.468 -2.690 1.320) 5.380 11.715 ( -4.468 2.690 1.320) 5.380 ======================= Grid point 38 (21/81) ======================= q-point: ( 0.46 -0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.634 -0.924 0.588) 1.266 0.814 ( -0.634 0.924 0.588) 1.266 0.972 ( -2.363 -1.718 0.917) 3.062 0.972 ( -2.363 1.718 0.917) 3.062 1.290 ( -0.621 -2.513 0.190) 2.596 1.290 ( -0.621 2.513 0.190) 2.596 1.317 ( -0.240 -3.800 -1.158) 3.980 1.317 ( -0.240 3.800 -1.158) 3.980 1.578 ( 3.040 -4.191 0.010) 5.177 1.578 ( 3.040 4.191 0.010) 5.177 1.688 ( 1.914 -2.526 0.651) 3.235 1.688 ( 1.914 2.526 0.651) 3.235 1.707 ( 2.798 -3.614 0.367) 4.585 1.707 ( 2.798 3.614 0.367) 4.585 1.739 ( 0.867 -4.957 -1.113) 5.154 1.739 ( 0.867 4.957 -1.113) 5.154 1.850 ( 2.325 -1.062 0.385) 2.585 1.850 ( 2.325 1.062 0.385) 2.585 1.906 ( 1.016 -0.936 -0.980) 1.694 1.906 ( 1.016 0.936 -0.980) 1.694 1.994 ( 1.415 -3.164 1.763) 3.889 1.994 ( 1.415 3.164 1.763) 3.889 2.052 ( 1.216 -3.977 -0.973) 4.271 2.052 ( 1.216 3.977 -0.973) 4.271 2.137 ( -2.151 -2.659 0.339) 3.437 2.137 ( -2.151 2.659 0.339) 3.437 2.198 ( 0.064 -2.739 -0.998) 2.916 2.198 ( 0.064 2.739 -0.998) 2.916 2.282 ( 0.344 -1.880 0.036) 1.912 2.282 ( 0.344 1.880 0.036) 1.912 2.424 ( 2.332 -7.049 1.027) 7.496 2.424 ( 2.332 7.049 1.027) 7.496 2.619 ( 6.330 -3.301 -2.757) 7.653 2.619 ( 6.330 3.301 -2.757) 7.653 2.674 ( 0.021 -2.548 -0.360) 2.574 2.674 ( 0.021 2.548 -0.360) 2.574 2.764 ( -4.822 -2.834 1.256) 5.732 2.764 ( -4.822 2.834 1.256) 5.732 2.948 ( 1.016 -4.003 0.230) 4.136 2.948 ( 1.016 4.003 0.230) 4.136 3.058 ( -1.621 -3.991 1.520) 4.568 3.058 ( -1.621 3.991 1.520) 4.568 3.184 ( 0.230 -6.373 -1.590) 6.572 3.184 ( 0.230 6.373 -1.590) 6.572 3.270 ( 1.882 -4.295 1.514) 4.927 3.270 ( 1.882 4.295 1.514) 4.927 3.482 ( 2.896 -2.065 1.271) 3.777 3.482 ( 2.896 2.065 1.271) 3.777 3.621 ( 1.612 -3.483 -1.103) 3.993 3.621 ( 1.612 3.483 -1.103) 3.993 3.786 ( 2.509 -3.274 -0.755) 4.193 3.786 ( 2.509 3.274 -0.755) 4.193 4.010 ( 3.733 -2.087 2.294) 4.854 4.010 ( 3.733 2.087 2.294) 4.854 4.156 ( -5.222 -0.415 0.844) 5.306 4.156 ( -5.222 0.415 0.844) 5.306 4.277 ( 3.655 -1.491 -3.084) 5.009 4.277 ( 3.655 1.491 -3.084) 5.009 4.536 ( -6.907 -2.903 -0.207) 7.495 4.536 ( -6.907 2.903 -0.207) 7.495 4.703 ( -2.096 -3.185 0.570) 3.855 4.703 ( -2.096 3.185 0.570) 3.855 4.927 ( -1.899 -2.732 2.297) 4.043 4.927 ( -1.899 2.732 2.297) 4.043 4.982 ( -2.453 -2.075 -1.213) 3.434 4.982 ( -2.453 2.075 -1.213) 3.434 5.094 ( 2.320 -1.500 -0.875) 2.898 5.094 ( 2.320 1.500 -0.875) 2.898 5.200 ( -1.177 -1.255 0.140) 1.726 5.200 ( -1.177 1.255 0.140) 1.726 5.462 ( -5.195 -0.517 -0.130) 5.222 5.462 ( -5.195 0.517 -0.130) 5.222 6.499 ( 0.649 -1.161 0.380) 1.384 6.499 ( 0.649 1.161 0.380) 1.384 6.607 ( -0.386 -3.189 -0.842) 3.321 6.607 ( -0.386 3.189 -0.842) 3.321 7.041 ( 2.233 -1.791 0.272) 2.875 7.041 ( 2.233 1.791 0.272) 2.875 7.121 ( -1.197 -0.728 0.144) 1.408 7.121 ( -1.197 0.728 0.144) 1.408 7.832 ( -2.952 -4.369 -1.781) 5.565 7.832 ( -2.952 4.369 -1.781) 5.565 8.033 ( 2.986 -3.148 3.952) 5.868 8.033 ( 2.986 3.148 3.952) 5.868 8.366 ( -4.570 -3.363 -2.809) 6.331 8.366 ( -4.570 3.363 -2.809) 6.331 8.463 ( 0.050 -1.440 -0.985) 1.746 8.463 ( 0.050 1.440 -0.985) 1.746 8.623 ( 0.847 -2.349 0.708) 2.595 8.623 ( 0.847 2.349 0.708) 2.595 8.833 ( 0.196 -0.804 1.582) 1.786 8.833 ( 0.196 0.804 1.582) 1.786 9.268 ( 1.110 -5.561 -1.724) 5.927 9.268 ( 1.110 5.561 -1.724) 5.927 9.611 ( 2.356 -4.389 1.040) 5.088 9.611 ( 2.356 4.389 1.040) 5.088 9.832 ( 3.499 -0.545 0.254) 3.550 9.832 ( 3.499 0.545 0.254) 3.550 10.134 ( -0.437 -6.141 0.721) 6.199 10.134 ( -0.437 6.141 0.721) 6.199 10.678 ( -2.584 -11.199 2.707) 11.807 10.678 ( -2.584 11.199 2.707) 11.807 10.930 ( -2.164 -1.731 -4.927) 5.653 10.930 ( -2.164 1.731 -4.927) 5.653 11.165 ( -3.876 -6.918 0.412) 7.941 11.165 ( -3.876 6.918 0.412) 7.941 11.669 ( -1.329 -2.918 0.785) 3.302 11.669 ( -1.329 2.918 0.785) 3.302 ======================= Grid point 65 (22/81) ======================= q-point: ( 0.00 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( 0.555 0.000 11.467) 11.480 0.304 ( 7.388 0.000 14.725) 16.475 0.602 ( -0.224 0.000 25.059) 25.060 0.698 ( -0.302 0.000 -5.616) 5.624 0.758 ( -8.982 0.000 -2.377) 9.291 0.904 ( -0.498 0.000 1.141) 1.245 0.944 ( -1.234 0.000 -2.167) 2.494 0.973 ( -0.510 0.000 9.451) 9.465 1.034 ( -1.415 0.000 1.402) 1.992 1.064 ( 0.720 0.000 0.540) 0.900 1.097 ( -1.695 0.000 7.474) 7.664 1.199 ( -1.834 0.000 1.253) 2.221 1.271 ( -5.831 0.000 -1.645) 6.059 1.302 ( 4.266 0.000 8.272) 9.307 1.331 ( -0.281 0.000 0.787) 0.836 1.388 ( 4.495 0.000 8.034) 9.206 1.421 ( -2.187 0.000 0.254) 2.202 1.519 ( 0.372 0.000 0.386) 0.537 1.527 ( 1.739 0.000 -1.378) 2.219 1.628 ( -1.473 0.000 3.107) 3.439 1.637 ( 2.491 0.000 1.647) 2.986 1.642 ( 4.140 0.000 0.645) 4.190 1.645 ( 3.004 0.000 2.579) 3.959 1.721 ( 0.389 0.000 3.700) 3.721 1.747 ( -0.134 0.000 2.420) 2.424 1.762 ( 0.914 0.000 -1.379) 1.655 1.823 ( -1.869 0.000 -2.476) 3.102 1.882 ( -1.498 0.000 -2.015) 2.511 1.884 ( 7.070 0.000 -3.888) 8.069 1.933 ( -1.303 0.000 -3.570) 3.801 2.055 ( 2.759 0.000 -1.168) 2.996 2.124 ( -2.607 0.000 -2.375) 3.527 2.124 ( -0.530 0.000 -2.126) 2.190 2.154 ( -2.206 0.000 -3.372) 4.029 2.277 ( -0.822 0.000 1.119) 1.388 2.335 ( 0.530 0.000 -1.965) 2.035 2.458 ( 0.661 0.000 0.571) 0.873 2.552 ( 4.504 0.000 -4.572) 6.418 2.591 ( -0.751 0.000 -0.245) 0.790 2.764 ( -1.557 0.000 -2.471) 2.921 2.819 ( -2.642 0.000 -3.292) 4.221 2.874 ( 0.231 0.000 -2.860) 2.869 2.951 ( 3.729 0.000 -2.963) 4.763 2.953 ( -1.009 0.000 -3.178) 3.334 3.270 ( 0.191 0.000 -1.574) 1.586 3.281 ( -0.853 0.000 -1.498) 1.724 3.460 ( -1.288 0.000 1.912) 2.305 3.553 ( -3.127 0.000 -2.624) 4.082 3.804 ( -12.538 0.000 1.876) 12.677 3.871 ( 2.995 0.000 4.578) 5.470 3.901 ( 12.290 0.000 -2.961) 12.641 4.067 ( -4.651 0.000 -2.777) 5.417 4.134 ( -5.674 0.000 3.490) 6.661 4.238 ( 13.193 0.000 1.056) 13.235 4.372 ( -6.588 0.000 -1.360) 6.727 4.418 ( 6.472 0.000 -1.542) 6.653 4.701 ( -13.591 0.000 4.227) 14.233 4.731 ( 2.989 0.000 0.647) 3.058 4.775 ( 4.442 0.000 -0.709) 4.498 4.853 ( -4.302 0.000 -1.161) 4.456 5.052 ( -2.002 0.000 -2.056) 2.870 5.055 ( 1.272 0.000 -0.873) 1.543 5.349 ( -5.556 0.000 7.354) 9.217 5.398 ( 2.096 0.000 5.160) 5.569 5.680 ( 8.806 0.000 -5.740) 10.512 5.715 ( -3.483 0.000 -6.518) 7.390 5.838 ( -10.866 0.000 0.368) 10.872 5.843 ( 2.747 0.000 -0.518) 2.795 5.913 ( -8.349 0.000 -2.948) 8.854 6.017 ( 20.844 0.000 -5.840) 21.646 6.067 ( -3.287 0.000 4.209) 5.340 6.211 ( 5.353 0.000 -1.703) 5.617 6.276 ( 16.899 0.000 9.588) 19.430 6.565 ( 2.554 0.000 2.585) 3.634 6.579 ( -4.747 0.000 -4.476) 6.524 6.706 ( -2.208 0.000 -1.401) 2.615 6.895 ( 0.986 0.000 0.148) 0.997 6.969 ( -0.245 0.000 -3.965) 3.973 7.137 ( -5.700 0.000 0.169) 5.703 7.217 ( -2.918 0.000 -4.742) 5.568 7.256 ( -7.421 0.000 -1.174) 7.513 7.385 ( 0.250 0.000 -3.897) 3.905 7.555 ( 3.891 0.000 6.524) 7.597 7.679 ( -1.928 0.000 -2.089) 2.843 7.746 ( 1.187 0.000 2.771) 3.015 7.910 ( 3.338 0.000 -2.474) 4.155 7.984 ( -0.882 0.000 1.958) 2.147 8.088 ( 0.758 0.000 -2.918) 3.014 8.545 ( -4.903 0.000 -1.023) 5.009 8.554 ( 4.047 0.000 -0.972) 4.163 8.815 ( 0.065 0.000 7.942) 7.942 8.917 ( -1.645 0.000 0.073) 1.647 9.149 ( 2.180 0.000 -3.321) 3.973 9.235 ( 2.650 0.000 -4.551) 5.266 9.390 ( -0.478 0.000 1.832) 1.893 9.488 ( -2.249 0.000 -2.011) 3.017 9.574 ( -1.188 0.000 2.456) 2.728 9.576 ( -2.809 0.000 5.598) 6.263 9.912 ( 4.264 0.000 13.860) 14.501 10.552 ( -21.081 0.000 -8.502) 22.731 10.629 ( -0.415 0.000 3.232) 3.259 10.864 ( 2.702 0.000 -8.253) 8.684 11.461 ( 0.777 0.000 3.235) 3.327 11.590 ( -2.702 0.000 -1.531) 3.106 11.796 ( -3.458 0.000 11.321) 11.837 12.156 ( 0.580 0.000 -4.323) 4.361 13.274 ( 32.056 0.000 1.026) 32.073 13.432 ( -5.388 0.000 -4.888) 7.275 ======================= Grid point 66 (23/81) ======================= q-point: ( 0.08 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 12.760 0.000 7.705) 14.906 0.528 ( 7.109 0.000 12.299) 14.206 0.691 ( 5.558 0.000 -4.385) 7.079 0.719 ( 7.590 0.000 -6.179) 9.787 0.887 ( 10.018 0.000 17.168) 19.877 0.939 ( 2.877 0.000 -0.991) 3.043 1.015 ( 6.293 0.000 5.938) 8.652 1.065 ( 3.030 0.000 -1.181) 3.252 1.120 ( 7.564 0.000 8.459) 11.348 1.163 ( 6.042 0.000 -0.252) 6.047 1.179 ( 6.674 0.000 4.456) 8.024 1.202 ( 0.740 0.000 -2.116) 2.242 1.221 ( 6.939 0.000 3.724) 7.875 1.335 ( 2.276 0.000 0.645) 2.366 1.413 ( 3.409 0.000 -2.495) 4.224 1.451 ( 4.405 0.000 4.639) 6.397 1.508 ( 3.048 0.000 6.038) 6.764 1.573 ( 3.978 0.000 -2.751) 4.836 1.590 ( 3.439 0.000 -0.411) 3.463 1.672 ( 4.378 0.000 4.828) 6.518 1.705 ( 2.580 0.000 0.171) 2.586 1.711 ( 2.910 0.000 3.437) 4.504 1.780 ( 4.499 0.000 1.732) 4.821 1.784 ( 4.130 0.000 -1.569) 4.418 1.791 ( 7.168 0.000 -4.084) 8.250 1.820 ( 5.745 0.000 -0.910) 5.817 1.848 ( 6.291 0.000 3.200) 7.058 1.906 ( 9.355 0.000 0.044) 9.355 1.918 ( 3.522 0.000 -2.486) 4.311 2.004 ( 6.722 0.000 -4.192) 7.922 2.069 ( -1.474 0.000 -2.441) 2.852 2.083 ( -0.103 0.000 -4.349) 4.350 2.139 ( 6.901 0.000 0.958) 6.967 2.153 ( 2.918 0.000 -1.545) 3.301 2.272 ( 0.097 0.000 0.601) 0.609 2.363 ( 1.971 0.000 -0.739) 2.105 2.465 ( 0.320 0.000 -2.205) 2.228 2.479 ( -4.436 0.000 4.429) 6.269 2.545 ( -3.663 0.000 1.919) 4.136 2.640 ( -1.590 0.000 -6.628) 6.816 2.816 ( 1.071 0.000 1.763) 2.062 2.867 ( 0.915 0.000 -1.493) 1.751 2.895 ( -1.628 0.000 -3.279) 3.661 2.933 ( 0.331 0.000 0.313) 0.455 3.257 ( -1.049 0.000 -1.364) 1.721 3.271 ( 1.106 0.000 -0.646) 1.281 3.428 ( -3.265 0.000 1.649) 3.658 3.562 ( -4.818 0.000 -4.383) 6.514 3.678 ( 0.778 0.000 -5.308) 5.365 3.786 ( -13.991 0.000 6.244) 15.321 3.925 ( -9.784 0.000 -3.014) 10.237 3.978 ( -9.739 0.000 -1.993) 9.940 4.082 ( 5.642 0.000 3.645) 6.717 4.232 ( -4.994 0.000 -2.322) 5.508 4.337 ( -7.344 0.000 2.559) 7.777 4.380 ( 3.145 0.000 -3.733) 4.881 4.727 ( -9.895 0.000 3.098) 10.369 4.759 ( 7.043 0.000 -5.929) 9.206 4.873 ( 6.216 0.000 3.937) 7.358 4.912 ( 5.719 0.000 -6.004) 8.292 4.985 ( -5.727 0.000 0.862) 5.792 5.060 ( -1.595 0.000 0.223) 1.611 5.349 ( -11.613 0.000 4.389) 12.414 5.376 ( -3.947 0.000 0.223) 3.954 5.449 ( -7.851 0.000 -3.132) 8.452 5.641 ( -11.538 0.000 5.199) 12.655 5.720 ( -6.814 0.000 1.863) 7.065 5.779 ( 2.704 0.000 -6.959) 7.466 5.909 ( 0.365 0.000 2.805) 2.829 6.004 ( -3.703 0.000 -3.508) 5.100 6.153 ( 10.570 0.000 2.211) 10.798 6.363 ( 3.931 0.000 -10.550) 11.258 6.452 ( -5.421 0.000 -11.332) 12.562 6.593 ( 9.015 0.000 6.413) 11.064 6.681 ( 0.507 0.000 -7.606) 7.623 6.704 ( 2.430 0.000 1.828) 3.040 6.887 ( 1.963 0.000 3.314) 3.852 6.966 ( 2.957 0.000 -5.331) 6.097 7.061 ( -9.698 0.000 -4.814) 10.827 7.157 ( 3.206 0.000 -1.320) 3.468 7.405 ( 16.578 0.000 1.669) 16.661 7.507 ( 7.749 0.000 -1.368) 7.869 7.679 ( 6.771 0.000 -0.861) 6.826 7.686 ( 13.111 0.000 -0.042) 13.111 7.858 ( 4.546 0.000 1.724) 4.862 7.988 ( 9.833 0.000 -6.666) 11.879 7.989 ( 1.986 0.000 2.414) 3.126 8.095 ( 1.168 0.000 -2.348) 2.623 8.499 ( 1.420 0.000 -1.617) 2.151 8.673 ( 7.690 0.000 0.730) 7.724 8.877 ( 1.228 0.000 6.655) 6.768 8.911 ( 1.030 0.000 0.223) 1.054 9.171 ( 2.582 0.000 -3.940) 4.710 9.246 ( 1.888 0.000 -6.354) 6.628 9.353 ( -6.026 0.000 4.995) 7.827 9.381 ( -7.596 0.000 0.543) 7.615 9.551 ( -2.558 0.000 2.291) 3.434 9.566 ( -0.787 0.000 2.121) 2.263 10.131 ( 7.562 0.000 17.954) 19.482 10.167 ( -16.684 0.000 4.811) 17.364 10.612 ( -3.486 0.000 4.083) 5.369 10.890 ( 5.374 0.000 -9.665) 11.058 11.483 ( -0.921 0.000 4.093) 4.196 11.503 ( -5.270 0.000 -0.712) 5.318 11.712 ( -11.554 0.000 14.432) 18.487 12.041 ( -9.306 0.000 -6.139) 11.148 13.113 ( -21.324 0.000 -12.665) 24.802 13.208 ( -22.320 0.000 10.192) 24.536 ======================= Grid point 67 (24/81) ======================= q-point: ( 0.15 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 11.222 0.000 5.323) 12.421 0.730 ( 8.165 0.000 5.180) 9.670 0.868 ( 9.745 0.000 -1.074) 9.804 0.903 ( 16.110 0.000 -1.574) 16.187 1.014 ( 5.131 0.000 2.510) 5.712 1.018 ( 2.107 0.000 0.263) 2.124 1.121 ( 3.836 0.000 1.074) 3.983 1.185 ( 5.935 0.000 6.100) 8.511 1.200 ( 0.484 0.000 1.474) 1.551 1.251 ( 5.294 0.000 -0.685) 5.338 1.324 ( 7.063 0.000 -0.587) 7.088 1.370 ( 8.670 0.000 2.539) 9.034 1.402 ( 4.257 0.000 0.691) 4.313 1.437 ( 8.964 0.000 2.861) 9.410 1.491 ( 3.543 0.000 -1.417) 3.815 1.523 ( 1.765 0.000 1.524) 2.332 1.584 ( 3.249 0.000 0.345) 3.267 1.608 ( 3.630 0.000 -2.009) 4.149 1.659 ( 3.364 0.000 5.284) 6.264 1.761 ( 4.456 0.000 -0.805) 4.528 1.773 ( 5.172 0.000 -4.896) 7.122 1.794 ( 1.225 0.000 5.381) 5.518 1.799 ( 3.236 0.000 -2.596) 4.148 1.906 ( 6.862 0.000 -0.326) 6.870 1.914 ( 6.516 0.000 -1.055) 6.601 1.923 ( 5.830 0.000 -1.756) 6.089 2.031 ( 8.431 0.000 1.108) 8.504 2.035 ( 8.541 0.000 -2.458) 8.888 2.057 ( 3.385 0.000 -1.037) 3.540 2.115 ( 6.865 0.000 3.151) 7.554 2.141 ( 8.307 0.000 -3.802) 9.136 2.167 ( 1.229 0.000 -0.401) 1.293 2.201 ( 13.110 0.000 -0.565) 13.122 2.296 ( 4.834 0.000 2.745) 5.559 2.321 ( 6.790 0.000 0.583) 6.815 2.384 ( 2.752 0.000 0.673) 2.833 2.470 ( 3.359 0.000 -2.566) 4.227 2.524 ( 4.721 0.000 0.249) 4.727 2.564 ( 6.370 0.000 4.795) 7.973 2.610 ( 2.577 0.000 -4.764) 5.417 2.852 ( 1.581 0.000 0.134) 1.587 2.892 ( 6.167 0.000 1.435) 6.332 2.952 ( 6.435 0.000 -0.031) 6.435 2.962 ( 3.146 0.000 -1.934) 3.693 3.231 ( -1.103 0.000 -0.565) 1.239 3.296 ( 1.049 0.000 0.704) 1.263 3.372 ( -2.791 0.000 0.122) 2.794 3.397 ( -6.792 0.000 -5.841) 8.958 3.541 ( -13.221 0.000 5.320) 14.251 3.678 ( 0.359 0.000 -5.092) 5.104 3.692 ( -11.646 0.000 -1.779) 11.781 3.765 ( -11.555 0.000 -0.161) 11.556 4.078 ( -8.549 0.000 -3.818) 9.363 4.149 ( -2.011 0.000 8.571) 8.804 4.291 ( -1.331 0.000 -0.777) 1.541 4.447 ( 4.724 0.000 -2.375) 5.287 4.537 ( -10.005 0.000 4.214) 10.856 4.738 ( -5.074 0.000 -5.401) 7.410 4.770 ( -9.926 0.000 -2.538) 10.245 4.927 ( -3.486 0.000 -0.103) 3.487 4.990 ( -0.766 0.000 -1.375) 1.574 4.996 ( -6.836 0.000 3.690) 7.768 5.152 ( -9.931 0.000 -1.874) 10.106 5.154 ( -6.079 0.000 1.074) 6.173 5.335 ( -7.346 0.000 -0.093) 7.347 5.365 ( -16.435 0.000 1.195) 16.478 5.648 ( -6.192 0.000 -0.254) 6.198 5.744 ( -5.477 0.000 -1.509) 5.681 5.933 ( -4.638 0.000 1.930) 5.023 5.996 ( 2.735 0.000 1.150) 2.967 6.269 ( -12.344 0.000 -0.421) 12.351 6.328 ( 2.653 0.000 -1.835) 3.226 6.350 ( 1.974 0.000 -7.502) 7.757 6.561 ( -11.171 0.000 3.471) 11.698 6.654 ( 4.836 0.000 -8.025) 9.370 6.732 ( -0.361 0.000 1.746) 1.783 6.880 ( -1.128 0.000 5.824) 5.933 6.984 ( 0.962 0.000 -3.135) 3.279 7.100 ( 11.416 0.000 5.337) 12.602 7.113 ( -4.547 0.000 -5.885) 7.437 7.482 ( -0.926 0.000 -4.038) 4.143 7.683 ( 9.987 0.000 0.998) 10.037 7.894 ( 8.352 0.000 1.211) 8.439 7.905 ( 5.565 0.000 0.581) 5.595 8.021 ( 9.997 0.000 -4.620) 11.013 8.118 ( 8.474 0.000 -5.882) 10.315 8.132 ( 14.945 0.000 0.360) 14.949 8.258 ( 19.296 0.000 -0.299) 19.298 8.578 ( 7.119 0.000 -0.364) 7.128 8.815 ( 6.203 0.000 0.411) 6.217 8.914 ( -1.419 0.000 5.293) 5.480 8.934 ( -0.152 0.000 0.925) 0.938 9.178 ( -5.384 0.000 -5.458) 7.667 9.183 ( -2.903 0.000 -4.835) 5.639 9.241 ( -4.293 0.000 4.362) 6.120 9.307 ( 0.975 0.000 -0.695) 1.197 9.512 ( -2.384 0.000 1.142) 2.644 9.573 ( 0.405 0.000 1.434) 1.490 9.973 ( -8.818 0.000 7.498) 11.575 10.361 ( 5.487 0.000 14.740) 15.728 10.556 ( -5.524 0.000 5.728) 7.958 10.927 ( 5.366 0.000 -12.943) 14.011 11.391 ( -6.177 0.000 -1.461) 6.348 11.473 ( -2.818 0.000 4.234) 5.086 11.576 ( -11.076 0.000 13.919) 17.788 11.764 ( -13.899 0.000 -10.101) 17.182 12.591 ( -22.469 0.000 -16.700) 27.996 12.824 ( -25.136 0.000 11.844) 27.786 ======================= Grid point 68 (25/81) ======================= q-point: ( 0.23 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 3.968 0.000 0.623) 4.017 0.915 ( 6.194 0.000 4.983) 7.950 1.005 ( -0.202 0.000 2.113) 2.122 1.045 ( 2.414 0.000 0.692) 2.511 1.060 ( 6.528 0.000 -0.867) 6.586 1.207 ( 4.740 0.000 -0.538) 4.770 1.215 ( 6.189 0.000 -1.783) 6.441 1.273 ( 10.979 0.000 1.708) 11.111 1.313 ( 5.303 0.000 2.682) 5.942 1.331 ( 2.876 0.000 -1.017) 3.051 1.409 ( 4.994 0.000 -1.609) 5.247 1.477 ( 2.305 0.000 2.123) 3.134 1.492 ( 1.103 0.000 -2.614) 2.837 1.501 ( 5.944 0.000 -0.537) 5.968 1.574 ( 2.842 0.000 1.419) 3.176 1.589 ( 7.434 0.000 -1.079) 7.512 1.652 ( 4.168 0.000 1.074) 4.304 1.674 ( 2.393 0.000 -2.208) 3.256 1.725 ( 1.512 0.000 -0.973) 1.798 1.798 ( -0.845 0.000 1.758) 1.950 1.805 ( 3.731 0.000 -1.351) 3.968 1.872 ( 4.874 0.000 2.564) 5.508 1.896 ( 4.966 0.000 0.809) 5.032 1.982 ( 2.116 0.000 0.163) 2.123 1.995 ( 3.451 0.000 -1.326) 3.697 2.006 ( 2.932 0.000 -2.037) 3.570 2.126 ( 4.986 0.000 -1.816) 5.306 2.144 ( 1.716 0.000 -1.050) 2.012 2.164 ( 1.484 0.000 1.357) 2.011 2.170 ( 6.147 0.000 1.817) 6.410 2.238 ( 8.032 0.000 -0.554) 8.051 2.335 ( 2.786 0.000 -2.997) 4.092 2.364 ( 0.541 0.000 0.645) 0.842 2.380 ( 12.693 0.000 4.891) 13.602 2.418 ( 2.925 0.000 -0.123) 2.928 2.554 ( 12.995 0.000 3.883) 13.563 2.579 ( 7.844 0.000 -0.089) 7.844 2.598 ( 6.032 0.000 -5.977) 8.492 2.692 ( 7.256 0.000 -1.242) 7.361 2.811 ( 12.366 0.000 4.732) 13.240 2.981 ( 2.914 0.000 -1.105) 3.116 2.983 ( 9.362 0.000 -0.585) 9.381 3.058 ( 5.043 0.000 -0.630) 5.083 3.086 ( 7.151 0.000 2.983) 7.748 3.212 ( 0.162 0.000 -0.171) 0.236 3.295 ( -1.214 0.000 -0.896) 1.508 3.316 ( 3.527 0.000 -7.552) 8.335 3.354 ( 0.596 0.000 1.207) 1.347 3.355 ( -9.041 0.000 2.823) 9.471 3.542 ( -3.168 0.000 1.460) 3.489 3.572 ( -7.517 0.000 0.780) 7.557 3.649 ( -0.458 0.000 -2.054) 2.104 3.902 ( -6.861 0.000 -5.165) 8.588 4.132 ( -5.613 0.000 9.064) 10.661 4.193 ( -6.132 0.000 -1.345) 6.278 4.411 ( -8.378 0.000 2.838) 8.846 4.458 ( -6.808 0.000 -0.410) 6.820 4.574 ( -3.641 0.000 -4.041) 5.440 4.664 ( 1.397 0.000 -1.999) 2.439 4.797 ( -7.039 0.000 -0.887) 7.095 4.885 ( -5.819 0.000 -0.281) 5.826 4.888 ( -6.939 0.000 1.482) 7.095 5.046 ( -2.660 0.000 -4.458) 5.192 5.074 ( -7.557 0.000 1.947) 7.804 5.182 ( -1.980 0.000 2.073) 2.867 5.198 ( -6.757 0.000 -0.138) 6.759 5.494 ( -9.187 0.000 -1.548) 9.317 5.569 ( -12.106 0.000 0.524) 12.117 5.823 ( -10.988 0.000 6.164) 12.599 5.872 ( -14.055 0.000 -4.166) 14.659 5.972 ( -16.661 0.000 -0.100) 16.661 6.135 ( -15.100 0.000 -1.586) 15.183 6.383 ( 4.683 0.000 -4.387) 6.416 6.513 ( -1.103 0.000 3.104) 3.295 6.605 ( -6.215 0.000 0.546) 6.239 6.745 ( 6.337 0.000 -1.744) 6.573 6.949 ( -2.674 0.000 -11.034) 11.353 6.977 ( -4.719 0.000 2.275) 5.239 7.072 ( 6.332 0.000 3.720) 7.344 7.256 ( 3.570 0.000 7.981) 8.743 7.562 ( 8.081 0.000 0.155) 8.083 7.766 ( 2.671 0.000 -4.598) 5.317 7.950 ( 4.319 0.000 1.931) 4.731 8.086 ( 4.103 0.000 -2.598) 4.856 8.166 ( 12.922 0.000 4.414) 13.655 8.239 ( 6.523 0.000 -6.719) 9.364 8.420 ( 13.141 0.000 -1.339) 13.209 8.592 ( 9.726 0.000 2.942) 10.161 8.728 ( 7.792 0.000 0.552) 7.811 8.833 ( -6.447 0.000 0.624) 6.477 8.910 ( -2.256 0.000 1.270) 2.589 8.923 ( 2.316 0.000 5.026) 5.534 8.976 ( -13.187 0.000 0.403) 13.193 9.088 ( 0.606 0.000 -4.205) 4.248 9.304 ( 7.264 0.000 -2.728) 7.759 9.357 ( 5.163 0.000 -3.438) 6.203 9.491 ( -0.024 0.000 0.271) 0.272 9.594 ( 0.710 0.000 1.761) 1.899 9.921 ( -2.194 0.000 8.891) 9.158 10.438 ( -5.081 0.000 2.449) 5.641 10.529 ( -0.788 0.000 11.538) 11.565 10.924 ( 3.350 0.000 -15.235) 15.598 11.253 ( -7.610 0.000 -0.672) 7.640 11.372 ( -10.990 0.000 -7.811) 13.483 11.494 ( -6.019 0.000 11.366) 12.862 11.514 ( -4.801 0.000 0.988) 4.902 12.134 ( -16.457 0.000 -13.599) 21.348 12.425 ( -23.577 0.000 7.931) 24.875 ======================= Grid point 69 (26/81) ======================= q-point: ( 0.31 0.00 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -2.016 0.000 0.101) 2.018 0.959 ( -3.244 0.000 -0.118) 3.246 0.977 ( -1.987 0.000 3.450) 3.981 1.079 ( 0.726 0.000 1.751) 1.895 1.154 ( 1.752 0.000 0.715) 1.892 1.279 ( 5.079 0.000 -3.926) 6.419 1.299 ( -1.748 0.000 -3.668) 4.063 1.329 ( 7.771 0.000 -3.214) 8.409 1.418 ( 4.877 0.000 0.748) 4.934 1.472 ( 4.825 0.000 1.638) 5.095 1.509 ( 7.128 0.000 -1.351) 7.254 1.516 ( 1.495 0.000 1.534) 2.142 1.548 ( 4.950 0.000 -0.238) 4.955 1.615 ( 5.363 0.000 1.280) 5.513 1.636 ( 3.723 0.000 1.044) 3.867 1.669 ( 2.707 0.000 0.016) 2.707 1.716 ( 1.785 0.000 1.385) 2.259 1.724 ( 3.142 0.000 -2.706) 4.147 1.793 ( 6.012 0.000 4.005) 7.224 1.827 ( 3.796 0.000 0.835) 3.887 1.862 ( 1.058 0.000 2.004) 2.267 1.950 ( 3.026 0.000 -0.628) 3.091 1.971 ( 3.126 0.000 0.822) 3.232 1.977 ( -1.304 0.000 -0.012) 1.304 2.060 ( 4.369 0.000 0.900) 4.461 2.064 ( 3.389 0.000 -1.314) 3.635 2.154 ( 0.040 0.000 -0.639) 0.641 2.156 ( 2.098 0.000 -2.242) 3.070 2.231 ( 4.377 0.000 0.774) 4.445 2.305 ( 1.572 0.000 -0.425) 1.629 2.327 ( -1.607 0.000 -0.874) 1.829 2.344 ( 3.060 0.000 1.781) 3.541 2.389 ( 6.581 0.000 -2.854) 7.173 2.472 ( 4.470 0.000 0.032) 4.471 2.618 ( 8.510 0.000 -3.405) 9.166 2.674 ( 8.962 0.000 1.222) 9.045 2.712 ( 5.588 0.000 0.352) 5.599 2.814 ( 6.501 0.000 2.921) 7.128 2.854 ( 13.142 0.000 -2.792) 13.435 2.951 ( -1.481 0.000 1.255) 1.941 3.016 ( -0.084 0.000 -0.224) 0.239 3.044 ( 1.771 0.000 1.604) 2.389 3.082 ( 0.984 0.000 -0.431) 1.074 3.227 ( -3.444 0.000 -0.725) 3.520 3.235 ( -0.483 0.000 -0.219) 0.530 3.239 ( 0.228 0.000 -0.874) 0.903 3.314 ( 9.226 0.000 1.732) 9.387 3.397 ( 4.140 0.000 -5.551) 6.924 3.400 ( 3.376 0.000 2.134) 3.994 3.466 ( -0.975 0.000 2.835) 2.998 3.648 ( -0.323 0.000 0.520) 0.612 3.660 ( 8.600 0.000 1.328) 8.702 3.809 ( 3.367 0.000 -6.205) 7.060 4.043 ( -7.816 0.000 8.240) 11.358 4.118 ( -0.577 0.000 -4.209) 4.248 4.268 ( -9.317 0.000 0.016) 9.317 4.295 ( -4.479 0.000 2.083) 4.940 4.540 ( -0.717 0.000 -3.555) 3.626 4.652 ( -8.380 0.000 1.505) 8.514 4.718 ( 3.019 0.000 -0.969) 3.171 4.803 ( -3.530 0.000 1.987) 4.051 4.819 ( -0.960 0.000 -0.174) 0.976 4.944 ( -4.521 0.000 -3.928) 5.989 4.990 ( -2.347 0.000 1.245) 2.656 5.096 ( -3.892 0.000 -1.279) 4.097 5.178 ( -1.759 0.000 2.834) 3.336 5.303 ( -9.152 0.000 -3.147) 9.678 5.324 ( -13.934 0.000 1.697) 14.037 5.527 ( -18.241 0.000 -2.442) 18.404 5.556 ( -18.975 0.000 5.988) 19.898 5.742 ( -9.144 0.000 -1.083) 9.208 5.859 ( -13.666 0.000 -0.534) 13.676 6.438 ( 2.685 0.000 -2.546) 3.700 6.494 ( -0.617 0.000 0.086) 0.623 6.547 ( -2.239 0.000 3.148) 3.863 6.800 ( -4.332 0.000 -7.224) 8.423 6.842 ( 3.266 0.000 2.110) 3.889 6.982 ( 3.184 0.000 1.243) 3.418 7.097 ( -0.659 0.000 -3.097) 3.166 7.322 ( -3.514 0.000 3.887) 5.240 7.723 ( 9.403 0.000 4.947) 10.625 7.766 ( 0.402 0.000 -4.564) 4.582 8.095 ( 0.044 0.000 -5.979) 5.979 8.123 ( 7.269 0.000 9.612) 12.051 8.276 ( 2.594 0.000 -7.662) 8.089 8.403 ( 7.697 0.000 4.104) 8.723 8.559 ( 0.323 0.000 1.671) 1.702 8.592 ( -5.673 0.000 -2.782) 6.319 8.697 ( -5.086 0.000 0.452) 5.106 8.742 ( -10.335 0.000 -1.786) 10.488 8.820 ( 0.611 0.000 4.202) 4.246 8.855 ( -2.976 0.000 2.301) 3.762 9.118 ( 4.018 0.000 -4.969) 6.391 9.123 ( 11.489 0.000 4.860) 12.475 9.446 ( 6.104 0.000 -3.098) 6.845 9.472 ( 11.703 0.000 -3.408) 12.189 9.514 ( 2.582 0.000 0.998) 2.769 9.635 ( 3.042 0.000 2.119) 3.707 9.969 ( 0.600 0.000 8.735) 8.756 10.321 ( -8.011 0.000 2.812) 8.491 10.553 ( -1.712 0.000 1.363) 2.188 10.871 ( 0.899 0.000 -14.867) 14.894 11.101 ( -10.760 0.000 -6.233) 12.435 11.113 ( -7.093 0.000 0.469) 7.109 11.460 ( -5.041 0.000 8.204) 9.629 11.484 ( -3.646 0.000 6.796) 7.712 11.811 ( -10.417 0.000 -10.397) 14.718 12.065 ( -17.994 0.000 3.847) 18.401 ======================= Grid point 70 (27/81) ======================= q-point: ( 0.38 0.00 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -4.271 0.000 0.142) 4.274 0.911 ( -1.485 0.000 -0.168) 1.494 0.913 ( -5.088 0.000 -0.432) 5.106 1.088 ( -0.464 0.000 0.079) 0.471 1.143 ( -2.735 0.000 1.216) 2.993 1.244 ( -0.904 0.000 -4.254) 4.349 1.339 ( 2.641 0.000 0.456) 2.680 1.442 ( 4.159 0.000 -0.305) 4.170 1.518 ( 7.030 0.000 -2.665) 7.518 1.537 ( 3.073 0.000 -1.611) 3.469 1.563 ( 2.734 0.000 1.511) 3.124 1.605 ( 3.447 0.000 -0.148) 3.450 1.637 ( 3.850 0.000 0.966) 3.970 1.680 ( 1.468 0.000 2.099) 2.561 1.728 ( 0.205 0.000 1.259) 1.275 1.740 ( 4.407 0.000 0.616) 4.450 1.746 ( 3.048 0.000 3.031) 4.298 1.793 ( 5.645 0.000 -1.288) 5.790 1.874 ( 0.959 0.000 1.585) 1.853 1.898 ( 0.950 0.000 1.375) 1.671 1.936 ( 4.868 0.000 5.040) 7.007 1.970 ( 2.672 0.000 -1.025) 2.862 1.990 ( 1.712 0.000 -1.049) 2.007 2.061 ( 5.582 0.000 1.566) 5.798 2.107 ( 3.046 0.000 -2.468) 3.920 2.152 ( 3.617 0.000 1.445) 3.895 2.163 ( 1.183 0.000 0.387) 1.245 2.188 ( 3.196 0.000 -3.123) 4.469 2.268 ( -2.414 0.000 -4.564) 5.163 2.304 ( 3.462 0.000 -1.022) 3.609 2.327 ( 1.581 0.000 1.407) 2.116 2.381 ( 0.120 0.000 1.192) 1.198 2.456 ( 3.619 0.000 -3.598) 5.103 2.613 ( 7.982 0.000 -0.025) 7.982 2.683 ( 2.343 0.000 -2.205) 3.217 2.768 ( -0.735 0.000 2.204) 2.324 2.825 ( -0.168 0.000 0.681) 0.701 2.895 ( -2.585 0.000 1.104) 2.811 2.899 ( 2.951 0.000 -0.056) 2.952 3.021 ( -1.758 0.000 -0.063) 1.759 3.033 ( -5.191 0.000 2.499) 5.761 3.046 ( 9.066 0.000 -3.001) 9.550 3.105 ( 6.450 0.000 1.623) 6.651 3.169 ( -1.151 0.000 -0.403) 1.220 3.258 ( 3.060 0.000 -2.807) 4.152 3.302 ( 5.718 0.000 -2.466) 6.227 3.389 ( 2.334 0.000 -2.965) 3.774 3.414 ( 0.729 0.000 3.483) 3.558 3.480 ( 5.099 0.000 0.276) 5.106 3.568 ( 6.580 0.000 -0.565) 6.604 3.645 ( -0.124 0.000 0.429) 0.447 3.737 ( -3.075 0.000 4.595) 5.529 3.925 ( 9.210 0.000 -4.669) 10.326 4.016 ( 1.683 0.000 3.068) 3.499 4.126 ( 4.130 0.000 -3.875) 5.663 4.143 ( -4.254 0.000 0.601) 4.296 4.254 ( -1.396 0.000 -0.065) 1.397 4.449 ( -9.406 0.000 4.868) 10.591 4.575 ( 1.162 0.000 -3.867) 4.038 4.657 ( -7.863 0.000 0.205) 7.865 4.802 ( -3.201 0.000 0.474) 3.236 4.817 ( 1.407 0.000 3.924) 4.168 4.869 ( -1.758 0.000 -5.289) 5.574 4.938 ( -5.770 0.000 2.291) 6.208 5.033 ( -1.495 0.000 -1.676) 2.247 5.126 ( -2.970 0.000 2.672) 3.995 5.148 ( -4.952 0.000 -2.059) 5.363 5.160 ( -3.904 0.000 0.246) 3.912 5.232 ( -10.256 0.000 -1.646) 10.387 5.269 ( -13.985 0.000 3.999) 14.545 5.570 ( -8.626 0.000 -0.890) 8.672 5.622 ( -11.456 0.000 0.131) 11.457 6.452 ( 0.823 0.000 -1.544) 1.749 6.508 ( 1.574 0.000 0.050) 1.574 6.547 ( 0.158 0.000 3.371) 3.375 6.697 ( -2.298 0.000 -4.835) 5.353 6.934 ( 4.539 0.000 2.848) 5.358 7.051 ( -1.733 0.000 -3.493) 3.899 7.084 ( 5.289 0.000 2.487) 5.844 7.224 ( -5.948 0.000 -0.526) 5.971 7.732 ( -0.849 0.000 -3.370) 3.476 7.939 ( 7.510 0.000 8.804) 11.572 8.018 ( -3.702 0.000 -5.961) 7.017 8.240 ( -2.232 0.000 7.790) 8.103 8.252 ( -0.486 0.000 -4.968) 4.992 8.450 ( -3.990 0.000 2.296) 4.603 8.454 ( -4.630 0.000 -5.345) 7.072 8.514 ( -3.015 0.000 3.195) 4.393 8.599 ( -2.549 0.000 -2.630) 3.663 8.702 ( 2.769 0.000 2.157) 3.510 8.829 ( -1.210 0.000 2.378) 2.668 8.840 ( -0.381 0.000 -0.554) 0.673 9.161 ( 3.605 0.000 -3.833) 5.262 9.332 ( 7.020 0.000 4.369) 8.268 9.534 ( 4.504 0.000 -1.172) 4.654 9.536 ( 3.929 0.000 -6.213) 7.351 9.715 ( 11.101 0.000 2.763) 11.439 9.737 ( 6.204 0.000 1.393) 6.359 10.015 ( -1.292 0.000 6.692) 6.815 10.194 ( -7.140 0.000 3.200) 7.824 10.476 ( -3.214 0.000 -9.274) 9.815 10.788 ( -0.743 0.000 -12.267) 12.289 10.937 ( -6.725 0.000 6.577) 9.406 11.004 ( -4.659 0.000 0.676) 4.707 11.372 ( -9.066 0.000 6.576) 11.200 11.420 ( -6.565 0.000 3.795) 7.583 11.631 ( -3.583 0.000 -5.959) 6.953 11.833 ( -8.013 0.000 0.148) 8.014 ======================= Grid point 71 (28/81) ======================= q-point: ( 0.46 0.00 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -2.336 0.000 -0.313) 2.357 0.814 ( -3.515 0.000 -2.878) 4.542 0.902 ( 0.321 0.000 -0.189) 0.372 1.061 ( -1.359 0.000 -3.285) 3.555 1.098 ( -2.571 0.000 3.029) 3.973 1.226 ( 1.177 0.000 -2.639) 2.889 1.389 ( 1.512 0.000 3.730) 4.025 1.477 ( 0.419 0.000 0.436) 0.605 1.570 ( 1.045 0.000 -1.130) 1.539 1.604 ( 1.741 0.000 0.373) 1.781 1.642 ( 4.633 0.000 -1.588) 4.897 1.651 ( 1.444 0.000 1.584) 2.143 1.686 ( 0.206 0.000 1.474) 1.488 1.700 ( 0.104 0.000 -0.142) 0.176 1.737 ( 0.222 0.000 1.946) 1.959 1.801 ( 1.554 0.000 -0.074) 1.555 1.807 ( 1.206 0.000 1.897) 2.248 1.848 ( 1.126 0.000 -0.084) 1.129 1.918 ( 2.470 0.000 -0.555) 2.531 1.922 ( 2.246 0.000 0.289) 2.265 1.984 ( -1.624 0.000 0.484) 1.695 2.032 ( 1.066 0.000 4.978) 5.091 2.046 ( 3.782 0.000 -0.220) 3.788 2.139 ( 0.502 0.000 -0.854) 0.990 2.146 ( 2.140 0.000 -1.683) 2.722 2.168 ( -2.646 0.000 -5.804) 6.379 2.193 ( 1.217 0.000 0.386) 1.277 2.202 ( 2.046 0.000 -0.368) 2.079 2.258 ( 4.489 0.000 -2.473) 5.125 2.341 ( -1.196 0.000 -0.068) 1.198 2.371 ( 0.722 0.000 2.460) 2.564 2.381 ( 2.340 0.000 -1.837) 2.975 2.526 ( 5.821 0.000 -1.643) 6.048 2.686 ( -1.833 0.000 0.508) 1.903 2.719 ( 1.122 0.000 1.333) 1.742 2.754 ( 1.973 0.000 0.304) 1.997 2.755 ( -3.663 0.000 -1.502) 3.959 2.881 ( -0.993 0.000 3.468) 3.607 2.922 ( -0.236 0.000 -1.617) 1.634 2.950 ( -4.439 0.000 4.191) 6.105 2.971 ( -0.642 0.000 0.547) 0.843 3.127 ( -0.450 0.000 -3.086) 3.119 3.156 ( 0.564 0.000 -2.626) 2.686 3.167 ( 1.787 0.000 -4.459) 4.804 3.390 ( 10.995 0.000 0.366) 11.001 3.412 ( 5.528 0.000 -4.269) 6.985 3.413 ( -2.260 0.000 2.680) 3.506 3.467 ( -9.095 0.000 4.459) 10.130 3.492 ( 6.984 0.000 -0.219) 6.988 3.632 ( -1.611 0.000 3.432) 3.791 3.645 ( 1.308 0.000 -3.275) 3.527 3.759 ( 6.458 0.000 -1.652) 6.666 4.042 ( -3.220 0.000 0.377) 3.242 4.047 ( 6.830 0.000 -4.361) 8.103 4.111 ( 0.025 0.000 0.623) 0.623 4.169 ( 1.831 0.000 -1.487) 2.359 4.282 ( 6.660 0.000 -1.925) 6.933 4.286 ( -11.322 0.000 6.346) 12.979 4.499 ( -8.655 0.000 3.299) 9.262 4.589 ( 0.533 0.000 -2.648) 2.701 4.678 ( -5.466 0.000 1.385) 5.639 4.779 ( -3.388 0.000 -4.790) 5.867 4.869 ( 2.364 0.000 4.159) 4.784 4.885 ( -2.346 0.000 1.981) 3.070 5.016 ( -0.065 0.000 -1.994) 1.995 5.090 ( -3.683 0.000 0.650) 3.740 5.091 ( -4.382 0.000 1.735) 4.713 5.123 ( 1.907 0.000 -0.574) 1.992 5.141 ( 0.492 0.000 -1.317) 1.406 5.161 ( 0.618 0.000 0.292) 0.684 5.436 ( -3.804 0.000 -0.698) 3.868 5.448 ( -6.588 0.000 0.644) 6.619 6.466 ( 1.171 0.000 -0.153) 1.181 6.524 ( -0.173 0.000 -0.974) 0.989 6.582 ( 0.527 0.000 3.155) 3.198 6.663 ( 0.978 0.000 -2.125) 2.339 7.008 ( 0.919 0.000 0.855) 1.255 7.014 ( 0.441 0.000 -2.085) 2.131 7.142 ( -1.945 0.000 0.134) 1.949 7.160 ( 0.783 0.000 0.930) 1.216 7.730 ( 2.456 0.000 0.091) 2.458 7.948 ( 0.870 0.000 -1.862) 2.055 7.993 ( -5.829 0.000 -1.922) 6.138 8.158 ( -7.966 0.000 -0.507) 7.982 8.266 ( 5.634 0.000 4.967) 7.510 8.385 ( -3.692 0.000 2.163) 4.279 8.426 ( 3.113 0.000 -0.373) 3.135 8.490 ( -1.541 0.000 3.178) 3.532 8.586 ( 1.050 0.000 -2.034) 2.289 8.735 ( -1.518 0.000 -1.829) 2.377 8.815 ( -1.470 0.000 1.100) 1.836 8.827 ( 0.841 0.000 -1.651) 1.853 9.209 ( 3.251 0.000 -1.656) 3.648 9.375 ( -2.322 0.000 -3.548) 4.240 9.598 ( 2.264 0.000 1.368) 2.645 9.626 ( 6.866 0.000 0.296) 6.872 9.847 ( 3.794 0.000 0.279) 3.804 9.871 ( 3.927 0.000 -0.411) 3.948 9.992 ( -4.150 0.000 3.377) 5.350 10.097 ( -5.328 0.000 2.682) 5.965 10.392 ( 1.327 0.000 -7.393) 7.511 10.712 ( 0.008 0.000 -9.261) 9.261 10.909 ( -2.444 0.000 10.908) 11.178 10.962 ( 0.110 0.000 0.472) 0.484 11.253 ( -6.288 0.000 6.728) 9.209 11.327 ( -3.945 0.000 0.866) 4.039 11.580 ( 0.359 0.000 -2.239) 2.267 11.734 ( -2.609 0.000 -3.331) 4.231 ======================= Grid point 72 (29/81) ======================= q-point: (-0.46 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 2.148 0.000 -0.274) 2.165 0.770 ( 0.758 0.000 -2.727) 2.831 0.909 ( -0.011 0.000 1.787) 1.787 1.007 ( -1.397 0.000 -5.158) 5.344 1.103 ( 1.128 0.000 2.130) 2.410 1.251 ( 2.678 0.000 -1.777) 3.215 1.442 ( 1.859 0.000 2.907) 3.450 1.481 ( -0.116 0.000 -0.077) 0.139 1.548 ( -3.346 0.000 -0.048) 3.346 1.607 ( -1.726 0.000 1.282) 2.150 1.646 ( -2.326 0.000 -1.254) 2.643 1.670 ( -1.487 0.000 0.602) 1.605 1.690 ( -0.843 0.000 0.914) 1.243 1.698 ( 0.469 0.000 1.420) 1.495 1.748 ( -0.544 0.000 1.348) 1.453 1.786 ( -2.242 0.000 -1.561) 2.732 1.799 ( -3.698 0.000 1.791) 4.109 1.858 ( -0.823 0.000 1.165) 1.426 1.933 ( -1.161 0.000 0.006) 1.161 1.940 ( -2.143 0.000 0.327) 2.167 1.982 ( 2.559 0.000 1.736) 3.092 1.988 ( -5.980 0.000 1.098) 6.080 2.085 ( -0.048 0.000 1.165) 1.166 2.095 ( -2.903 0.000 -2.504) 3.834 2.120 ( -0.217 0.000 -3.717) 3.723 2.159 ( -0.639 0.000 -0.041) 0.640 2.197 ( -2.397 0.000 -0.337) 2.421 2.199 ( -0.476 0.000 0.360) 0.597 2.278 ( -3.137 0.000 -3.176) 4.464 2.324 ( 1.154 0.000 -0.416) 1.227 2.365 ( -0.324 0.000 0.375) 0.496 2.420 ( 0.644 0.000 -0.148) 0.661 2.631 ( -1.113 0.000 -5.826) 5.931 2.640 ( 5.834 0.000 1.167) 5.949 2.690 ( -3.718 0.000 2.947) 4.745 2.723 ( 0.257 0.000 -0.036) 0.259 2.854 ( 5.995 0.000 0.079) 5.996 2.880 ( -2.284 0.000 -4.090) 4.684 2.895 ( -0.537 0.000 4.833) 4.863 2.916 ( -2.531 0.000 4.889) 5.505 3.013 ( 2.830 0.000 1.271) 3.102 3.061 ( -2.661 0.000 -1.111) 2.883 3.168 ( 0.537 0.000 -5.366) 5.393 3.170 ( 2.292 0.000 -3.618) 4.283 3.278 ( -10.056 0.000 1.184) 10.125 3.380 ( -1.992 0.000 -0.809) 2.150 3.417 ( -2.509 0.000 -0.376) 2.537 3.506 ( -3.844 0.000 2.208) 4.433 3.553 ( 2.370 0.000 2.130) 3.186 3.600 ( -4.061 0.000 -4.284) 5.903 3.675 ( 2.409 0.000 3.415) 4.179 3.816 ( 0.239 0.000 -2.748) 2.758 3.895 ( -9.463 0.000 -0.803) 9.497 4.092 ( -3.204 0.000 -0.750) 3.291 4.115 ( 0.405 0.000 0.295) 0.501 4.213 ( 4.940 0.000 -0.177) 4.943 4.222 ( 3.090 0.000 -1.144) 3.295 4.359 ( -1.828 0.000 2.819) 3.360 4.503 ( 9.382 0.000 0.952) 9.430 4.566 ( 1.608 0.000 1.297) 2.065 4.704 ( 4.401 0.000 -0.540) 4.434 4.723 ( 0.032 0.000 -1.876) 1.876 4.848 ( -2.319 0.000 1.688) 2.868 4.956 ( 3.037 0.000 1.016) 3.202 5.011 ( 1.855 0.000 0.881) 2.054 5.048 ( -0.212 0.000 -2.218) 2.228 5.066 ( -0.060 0.000 1.627) 1.628 5.139 ( -1.474 0.000 -0.842) 1.698 5.161 ( -0.218 0.000 -0.348) 0.411 5.165 ( 4.224 0.000 0.509) 4.254 5.438 ( 5.796 0.000 -0.221) 5.800 5.464 ( 6.207 0.000 0.210) 6.210 6.489 ( 1.057 0.000 0.809) 1.331 6.491 ( -2.073 0.000 -1.426) 2.516 6.578 ( -2.302 0.000 1.881) 2.973 6.696 ( 2.885 0.000 -1.381) 3.198 6.971 ( -3.804 0.000 -0.381) 3.823 7.051 ( 3.630 0.000 -1.001) 3.765 7.132 ( -2.832 0.000 0.179) 2.837 7.152 ( 1.683 0.000 1.048) 1.983 7.824 ( 5.556 0.000 4.291) 7.020 7.832 ( -6.888 0.000 -4.877) 8.439 7.998 ( -6.202 0.000 -4.741) 7.806 8.058 ( 9.359 0.000 2.876) 9.791 8.346 ( -0.845 0.000 0.321) 0.904 8.443 ( 7.504 0.000 7.329) 10.489 8.488 ( -1.239 0.000 2.247) 2.566 8.514 ( 5.083 0.000 1.820) 5.399 8.594 ( 1.086 0.000 -1.602) 1.935 8.635 ( -4.868 0.000 -5.872) 7.628 8.780 ( -2.723 0.000 0.133) 2.726 8.841 ( 0.566 0.000 -0.548) 0.788 9.261 ( 2.649 0.000 0.719) 2.745 9.268 ( -5.373 0.000 -5.061) 7.381 9.619 ( -2.006 0.000 1.790) 2.689 9.675 ( -3.799 0.000 -1.178) 3.977 9.839 ( -4.121 0.000 0.518) 4.153 9.915 ( 3.669 0.000 -2.833) 4.636 9.934 ( -3.433 0.000 1.157) 3.622 10.029 ( -3.668 0.000 5.757) 6.826 10.417 ( 2.727 0.000 -3.257) 4.248 10.691 ( 4.011 0.000 -9.599) 10.403 10.981 ( 4.263 0.000 7.286) 8.442 11.017 ( 5.036 0.000 0.918) 5.119 11.243 ( 0.289 0.000 7.060) 7.066 11.296 ( 0.001 0.000 1.606) 1.606 11.625 ( 5.543 0.000 -0.077) 5.543 11.681 ( -0.036 0.000 -5.723) 5.723 ======================= Grid point 73 (30/81) ======================= q-point: (-0.38 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 3.280 0.000 -0.882) 3.397 0.824 ( 5.707 0.000 1.173) 5.826 0.937 ( 1.425 0.000 3.576) 3.849 0.964 ( 0.311 0.000 -4.617) 4.627 1.137 ( 1.074 0.000 -0.093) 1.078 1.280 ( 0.996 0.000 -4.499) 4.608 1.457 ( -4.068 0.000 -0.525) 4.102 1.461 ( -2.140 0.000 -1.256) 2.481 1.482 ( -0.422 0.000 1.606) 1.661 1.561 ( -3.930 0.000 1.773) 4.312 1.576 ( -4.409 0.000 0.689) 4.462 1.618 ( -3.731 0.000 0.056) 3.732 1.644 ( -4.404 0.000 -2.060) 4.862 1.696 ( -4.612 0.000 -1.654) 4.899 1.711 ( -2.681 0.000 1.677) 3.162 1.715 ( -3.258 0.000 3.012) 4.437 1.742 ( -2.666 0.000 2.270) 3.501 1.828 ( -6.111 0.000 4.057) 7.335 1.878 ( -1.629 0.000 1.312) 2.091 1.900 ( -3.228 0.000 -1.718) 3.657 1.901 ( -2.432 0.000 0.092) 2.434 2.016 ( -1.000 0.000 2.585) 2.772 2.039 ( -1.803 0.000 -0.314) 1.830 2.072 ( -2.237 0.000 2.573) 3.409 2.098 ( 0.082 0.000 -2.048) 2.049 2.126 ( -1.964 0.000 -1.201) 2.302 2.141 ( -2.855 0.000 -0.385) 2.881 2.186 ( -1.855 0.000 1.321) 2.277 2.208 ( -1.335 0.000 -3.590) 3.831 2.267 ( -3.937 0.000 0.048) 3.937 2.393 ( -2.683 0.000 -0.588) 2.747 2.400 ( 1.632 0.000 -0.721) 1.784 2.570 ( -1.497 0.000 -8.407) 8.539 2.598 ( -6.500 0.000 2.096) 6.830 2.664 ( -6.491 0.000 -5.483) 8.497 2.714 ( -5.011 0.000 5.034) 7.103 2.852 ( -4.759 0.000 4.975) 6.884 2.854 ( -0.257 0.000 -0.215) 0.336 2.927 ( 2.671 0.000 2.665) 3.773 2.962 ( 2.525 0.000 -0.401) 2.557 2.970 ( -1.916 0.000 -2.085) 2.832 3.109 ( 2.070 0.000 2.654) 3.366 3.120 ( -0.559 0.000 -2.140) 2.212 3.138 ( -0.696 0.000 -1.407) 1.570 3.236 ( 1.409 0.000 -3.510) 3.783 3.312 ( -7.348 0.000 3.839) 8.290 3.326 ( -1.840 0.000 -3.325) 3.800 3.442 ( -4.627 0.000 2.489) 5.254 3.455 ( -7.353 0.000 -5.084) 8.940 3.560 ( -1.375 0.000 1.856) 2.310 3.701 ( -2.579 0.000 3.657) 4.475 3.727 ( -6.843 0.000 2.782) 7.387 3.790 ( -1.785 0.000 -4.894) 5.209 4.027 ( -3.611 0.000 1.509) 3.913 4.150 ( 4.636 0.000 -2.910) 5.474 4.243 ( 1.107 0.000 -2.239) 2.498 4.337 ( 7.960 0.000 -0.777) 7.998 4.337 ( -2.547 0.000 5.629) 6.179 4.666 ( 5.869 0.000 -2.541) 6.395 4.670 ( 6.623 0.000 -1.632) 6.821 4.758 ( 2.899 0.000 2.061) 3.557 4.771 ( 2.484 0.000 0.279) 2.499 4.856 ( 3.647 0.000 3.045) 4.751 4.981 ( 0.818 0.000 -0.184) 0.839 4.982 ( -3.074 0.000 -3.663) 4.782 5.100 ( 4.791 0.000 2.917) 5.609 5.146 ( 2.456 0.000 -0.472) 2.501 5.190 ( 11.721 0.000 -0.011) 11.721 5.199 ( 6.625 0.000 -0.749) 6.667 5.309 ( 10.837 0.000 1.815) 10.988 5.612 ( 12.198 0.000 -1.209) 12.257 5.622 ( 9.762 0.000 0.714) 9.788 6.451 ( -0.944 0.000 -1.429) 1.713 6.509 ( 0.377 0.000 0.511) 0.635 6.547 ( -1.666 0.000 2.211) 2.769 6.717 ( 0.934 0.000 -4.352) 4.451 6.918 ( -1.788 0.000 2.458) 3.040 7.087 ( 0.905 0.000 -3.966) 4.068 7.117 ( 1.129 0.000 3.972) 4.129 7.164 ( -1.791 0.000 -1.138) 2.122 7.717 ( -2.793 0.000 -2.622) 3.831 7.906 ( -0.834 0.000 -2.196) 2.349 7.944 ( 2.658 0.000 6.367) 6.899 8.260 ( 7.495 0.000 4.776) 8.887 8.345 ( -2.785 0.000 -6.308) 6.895 8.433 ( 0.209 0.000 -0.245) 0.322 8.576 ( 2.382 0.000 -2.735) 3.627 8.581 ( 4.248 0.000 -1.025) 4.370 8.603 ( -0.391 0.000 2.291) 2.324 8.644 ( 6.358 0.000 5.032) 8.108 8.729 ( -1.676 0.000 -0.559) 1.766 8.840 ( -0.502 0.000 1.176) 1.279 9.133 ( -6.317 0.000 -3.281) 7.118 9.311 ( 0.847 0.000 3.272) 3.379 9.522 ( -6.923 0.000 -3.196) 7.626 9.525 ( -9.116 0.000 -1.910) 9.314 9.784 ( -3.264 0.000 4.950) 5.929 9.846 ( -6.229 0.000 0.415) 6.243 9.882 ( -4.546 0.000 -2.333) 5.109 10.101 ( 5.220 0.000 6.589) 8.406 10.411 ( -1.723 0.000 -2.668) 3.175 10.742 ( 7.856 0.000 -11.518) 13.942 11.114 ( 6.495 0.000 -1.120) 6.591 11.139 ( 6.493 0.000 1.375) 6.637 11.306 ( 1.252 0.000 5.597) 5.736 11.366 ( 5.430 0.000 5.983) 8.079 11.686 ( 5.277 0.000 -6.328) 8.240 11.790 ( 11.713 0.000 1.555) 11.816 ======================= Grid point 74 (31/81) ======================= q-point: (-0.31 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 1.603 0.000 1.257) 2.037 0.942 ( 4.245 0.000 3.485) 5.492 0.964 ( 2.031 0.000 -2.795) 3.455 0.980 ( -0.350 0.000 3.186) 3.205 1.133 ( -0.294 0.000 -1.186) 1.222 1.199 ( -4.895 0.000 -5.587) 7.428 1.368 ( -6.664 0.000 -1.807) 6.904 1.393 ( -3.103 0.000 -3.300) 4.530 1.441 ( -5.437 0.000 1.450) 5.627 1.490 ( -5.920 0.000 3.146) 6.704 1.496 ( -5.182 0.000 1.370) 5.360 1.533 ( -6.692 0.000 0.792) 6.739 1.555 ( -2.375 0.000 -0.729) 2.484 1.568 ( -5.245 0.000 -1.655) 5.500 1.667 ( -3.249 0.000 0.944) 3.384 1.668 ( -4.131 0.000 0.588) 4.173 1.712 ( -1.367 0.000 0.222) 1.385 1.728 ( -5.805 0.000 3.978) 7.037 1.803 ( -5.121 0.000 -0.267) 5.128 1.832 ( -5.086 0.000 -0.416) 5.103 1.922 ( 2.091 0.000 2.666) 3.388 1.973 ( -5.053 0.000 1.727) 5.340 2.016 ( -1.594 0.000 0.033) 1.595 2.036 ( -3.039 0.000 1.284) 3.299 2.067 ( -2.310 0.000 -3.950) 4.576 2.072 ( -4.623 0.000 3.404) 5.741 2.108 ( 2.437 0.000 -3.889) 4.589 2.153 ( -1.035 0.000 -1.517) 1.836 2.196 ( -0.067 0.000 1.857) 1.858 2.231 ( 0.899 0.000 -1.442) 1.699 2.338 ( -2.525 0.000 -0.934) 2.692 2.372 ( -6.478 0.000 0.619) 6.507 2.459 ( -9.578 0.000 -1.544) 9.702 2.487 ( -4.055 0.000 -6.644) 7.784 2.489 ( -4.524 0.000 1.046) 4.643 2.571 ( -9.425 0.000 4.488) 10.439 2.757 ( -7.746 0.000 -0.848) 7.793 2.758 ( -8.011 0.000 1.006) 8.074 2.909 ( -6.798 0.000 -0.990) 6.870 2.963 ( -1.819 0.000 0.760) 1.972 3.021 ( 3.556 0.000 0.800) 3.645 3.091 ( -3.414 0.000 0.882) 3.527 3.143 ( -1.772 0.000 -3.789) 4.182 3.156 ( 1.300 0.000 2.453) 2.776 3.199 ( -0.726 0.000 -2.588) 2.688 3.258 ( -2.856 0.000 2.558) 3.834 3.264 ( -5.461 0.000 0.002) 5.461 3.343 ( 2.737 0.000 -3.130) 4.158 3.355 ( -6.220 0.000 3.452) 7.114 3.529 ( -1.466 0.000 -0.276) 1.492 3.645 ( -3.802 0.000 0.998) 3.931 3.645 ( -5.902 0.000 1.912) 6.204 3.746 ( 3.664 0.000 -5.397) 6.523 4.013 ( 1.704 0.000 2.677) 3.173 4.253 ( 8.232 0.000 -2.233) 8.530 4.280 ( 4.134 0.000 0.195) 4.139 4.350 ( 0.882 0.000 5.218) 5.292 4.502 ( 10.723 0.000 -2.703) 11.058 4.711 ( -0.468 0.000 -1.689) 1.753 4.726 ( 2.663 0.000 -1.082) 2.874 4.795 ( 0.248 0.000 1.110) 1.137 4.823 ( 3.020 0.000 1.417) 3.336 4.943 ( 2.473 0.000 -2.974) 3.867 5.012 ( 7.766 0.000 0.036) 7.766 5.013 ( 3.797 0.000 0.023) 3.797 5.189 ( 2.439 0.000 2.151) 3.252 5.239 ( 9.934 0.000 -1.049) 9.989 5.372 ( 10.171 0.000 0.045) 10.171 5.456 ( 15.076 0.000 0.948) 15.106 5.612 ( 20.499 0.000 1.203) 20.535 5.826 ( 11.250 0.000 1.696) 11.377 5.850 ( 13.629 0.000 -2.306) 13.823 6.436 ( -0.186 0.000 -2.239) 2.247 6.510 ( 0.249 0.000 0.004) 0.249 6.558 ( 1.396 0.000 3.481) 3.750 6.709 ( 1.709 0.000 -4.518) 4.831 6.923 ( -0.238 0.000 3.834) 3.841 7.006 ( -7.602 0.000 -7.338) 10.565 7.090 ( -1.852 0.000 -2.763) 3.326 7.225 ( 6.105 0.000 7.072) 9.342 7.674 ( -1.966 0.000 0.248) 1.982 7.928 ( 2.282 0.000 1.832) 2.927 7.977 ( -3.367 0.000 4.279) 5.445 8.127 ( -11.046 0.000 -8.751) 14.092 8.319 ( -3.869 0.000 2.038) 4.372 8.546 ( -5.937 0.000 -1.412) 6.103 8.554 ( 8.056 0.000 0.928) 8.109 8.622 ( 0.101 0.000 0.261) 0.280 8.679 ( 9.479 0.000 -2.742) 9.868 8.733 ( 1.605 0.000 -0.390) 1.651 8.788 ( 6.165 0.000 3.024) 6.866 8.858 ( 1.013 0.000 4.805) 4.911 8.988 ( -8.343 0.000 0.278) 8.348 9.263 ( -8.954 0.000 1.578) 9.092 9.368 ( -5.554 0.000 -0.891) 5.625 9.424 ( 0.791 0.000 -4.886) 4.950 9.674 ( -7.947 0.000 -4.085) 8.935 9.770 ( -6.045 0.000 -0.099) 6.046 9.815 ( -2.165 0.000 14.089) 14.255 10.240 ( 5.914 0.000 3.213) 6.730 10.323 ( -5.933 0.000 -1.948) 6.245 10.832 ( 9.203 0.000 -12.585) 15.591 11.205 ( 5.485 0.000 -3.593) 6.557 11.231 ( 2.782 0.000 -2.965) 4.066 11.361 ( 0.802 0.000 9.778) 9.811 11.536 ( 8.020 0.000 5.008) 9.455 11.804 ( 11.350 0.000 -8.174) 13.987 12.086 ( 18.645 0.000 2.945) 18.877 ======================= Grid point 75 (32/81) ======================= q-point: (-0.23 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -7.206 0.000 1.553) 7.371 0.877 ( -10.648 0.000 5.141) 11.824 0.999 ( 1.767 0.000 -0.252) 1.785 1.034 ( 1.042 0.000 1.594) 1.904 1.088 ( -4.173 0.000 -1.084) 4.312 1.139 ( 0.276 0.000 0.508) 0.578 1.211 ( -8.868 0.000 -0.308) 8.874 1.281 ( -5.801 0.000 -4.841) 7.555 1.308 ( -9.269 0.000 4.421) 10.270 1.353 ( -10.315 0.000 2.170) 10.541 1.384 ( -8.117 0.000 -0.841) 8.160 1.402 ( -5.651 0.000 -1.183) 5.773 1.477 ( -5.275 0.000 0.054) 5.276 1.524 ( -3.736 0.000 -1.757) 4.129 1.559 ( -6.386 0.000 -0.464) 6.403 1.607 ( -4.011 0.000 -0.346) 4.026 1.638 ( -4.638 0.000 -1.822) 4.983 1.672 ( -1.558 0.000 -1.990) 2.527 1.722 ( -5.443 0.000 6.110) 8.182 1.735 ( -5.302 0.000 2.653) 5.928 1.859 ( -6.629 0.000 0.400) 6.641 1.926 ( -5.750 0.000 2.235) 6.169 1.945 ( -5.639 0.000 -5.369) 7.786 1.964 ( -1.651 0.000 3.060) 3.477 2.016 ( -1.598 0.000 -2.360) 2.850 2.035 ( -1.494 0.000 -2.195) 2.655 2.120 ( -2.383 0.000 -5.814) 6.283 2.133 ( -0.487 0.000 -0.190) 0.522 2.198 ( -5.338 0.000 2.006) 5.702 2.200 ( -5.168 0.000 1.418) 5.359 2.240 ( -5.853 0.000 1.694) 6.093 2.271 ( 0.056 0.000 1.035) 1.036 2.317 ( -2.565 0.000 1.681) 3.067 2.396 ( -7.307 0.000 -2.287) 7.656 2.423 ( -2.347 0.000 -0.217) 2.357 2.488 ( -2.090 0.000 4.578) 5.032 2.558 ( -13.835 0.000 -1.488) 13.914 2.607 ( -7.073 0.000 -1.518) 7.234 2.719 ( -11.427 0.000 -0.860) 11.459 2.862 ( -8.896 0.000 3.107) 9.423 2.968 ( -7.306 0.000 -1.034) 7.379 2.996 ( -7.771 0.000 -0.704) 7.803 3.023 ( -7.276 0.000 1.443) 7.417 3.136 ( -8.721 0.000 1.068) 8.786 3.188 ( 3.889 0.000 -3.280) 5.087 3.220 ( 3.060 0.000 0.734) 3.147 3.262 ( 2.681 0.000 -2.059) 3.381 3.306 ( 0.443 0.000 1.678) 1.736 3.458 ( 10.843 0.000 -2.677) 11.169 3.540 ( 1.462 0.000 2.715) 3.083 3.581 ( -0.628 0.000 1.282) 1.427 3.637 ( 4.261 0.000 -2.706) 5.047 3.844 ( 8.008 0.000 -3.131) 8.599 4.103 ( 5.174 0.000 3.064) 6.013 4.391 ( 3.141 0.000 5.459) 6.298 4.416 ( 4.147 0.000 1.453) 4.394 4.434 ( 11.142 0.000 -2.122) 11.342 4.634 ( 1.471 0.000 -0.478) 1.547 4.726 ( 9.276 0.000 -9.009) 12.931 4.772 ( 5.303 0.000 2.050) 5.686 4.848 ( 4.887 0.000 0.086) 4.888 4.891 ( 3.252 0.000 1.839) 3.736 5.035 ( 8.779 0.000 -2.838) 9.226 5.119 ( 7.459 0.000 -1.084) 7.537 5.124 ( 5.040 0.000 2.753) 5.743 5.223 ( 0.815 0.000 0.797) 1.140 5.484 ( 15.106 0.000 -3.178) 15.436 5.547 ( 7.870 0.000 1.666) 8.045 5.728 ( 12.615 0.000 2.392) 12.840 6.003 ( 13.646 0.000 1.512) 13.729 6.059 ( 12.168 0.000 2.539) 12.430 6.071 ( 15.207 0.000 -5.903) 16.312 6.402 ( -0.185 0.000 -3.528) 3.533 6.556 ( 5.034 0.000 1.521) 5.258 6.626 ( -0.053 0.000 1.021) 1.022 6.725 ( 2.144 0.000 -3.311) 3.944 6.780 ( -8.137 0.000 -1.899) 8.356 6.942 ( -0.519 0.000 3.548) 3.586 7.071 ( 0.886 0.000 -2.748) 2.888 7.393 ( 6.376 0.000 6.745) 9.281 7.629 ( -3.454 0.000 2.124) 4.055 7.757 ( -15.498 0.000 -9.093) 17.969 7.966 ( -6.294 0.000 0.161) 6.296 7.978 ( 1.154 0.000 2.305) 2.578 8.195 ( -8.258 0.000 -0.976) 8.316 8.356 ( -12.610 0.000 -3.480) 13.081 8.539 ( -9.537 0.000 -3.845) 10.283 8.660 ( 1.311 0.000 0.113) 1.316 8.754 ( -0.462 0.000 2.897) 2.934 8.840 ( 8.074 0.000 0.133) 8.075 8.855 ( -5.885 0.000 5.503) 8.057 8.920 ( 6.778 0.000 -0.518) 6.797 8.924 ( 0.097 0.000 4.095) 4.096 9.092 ( -5.114 0.000 -3.470) 6.180 9.324 ( 0.845 0.000 -1.022) 1.326 9.407 ( -0.324 0.000 -9.357) 9.362 9.517 ( -4.987 0.000 0.228) 4.993 9.671 ( -5.169 0.000 2.584) 5.779 9.901 ( -0.490 0.000 23.543) 23.548 10.154 ( -8.801 0.000 -4.867) 10.057 10.372 ( 4.882 0.000 4.912) 6.925 10.918 ( 7.594 0.000 -12.826) 14.905 11.233 ( 0.457 0.000 -2.560) 2.601 11.288 ( 5.266 0.000 -2.237) 5.722 11.447 ( 1.335 0.000 10.458) 10.543 11.712 ( 9.299 0.000 0.705) 9.326 11.986 ( 13.724 0.000 -10.736) 17.424 12.511 ( 24.068 0.000 3.895) 24.382 ======================= Grid point 76 (33/81) ======================= q-point: (-0.15 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -14.168 0.000 2.024) 14.312 0.675 ( -14.396 0.000 7.213) 16.102 0.951 ( -9.526 0.000 -1.470) 9.639 0.975 ( -6.324 0.000 5.347) 8.282 0.986 ( -20.863 0.000 2.690) 21.035 1.038 ( -3.311 0.000 5.363) 6.302 1.126 ( -3.421 0.000 1.145) 3.608 1.157 ( -3.412 0.000 -2.843) 4.441 1.168 ( -6.406 0.000 4.637) 7.908 1.191 ( -4.365 0.000 -1.231) 4.535 1.212 ( -5.891 0.000 -3.740) 6.978 1.318 ( -4.229 0.000 1.123) 4.375 1.366 ( -6.671 0.000 1.137) 6.767 1.376 ( -8.000 0.000 0.454) 8.013 1.496 ( -2.919 0.000 0.604) 2.981 1.519 ( -5.926 0.000 2.244) 6.337 1.531 ( -5.359 0.000 -2.311) 5.836 1.625 ( -7.440 0.000 -2.802) 7.950 1.645 ( -1.773 0.000 0.153) 1.779 1.658 ( -5.122 0.000 4.757) 6.991 1.763 ( -5.044 0.000 0.839) 5.113 1.796 ( -5.645 0.000 -1.571) 5.860 1.811 ( -7.671 0.000 2.610) 8.103 1.882 ( -10.902 0.000 -2.739) 11.241 1.935 ( -6.520 0.000 -2.963) 7.162 1.964 ( -2.787 0.000 1.075) 2.987 1.986 ( -5.892 0.000 -0.201) 5.896 2.042 ( -6.172 0.000 1.651) 6.389 2.072 ( -13.136 0.000 -3.402) 13.569 2.142 ( -0.486 0.000 1.692) 1.760 2.170 ( -8.299 0.000 2.130) 8.568 2.202 ( -9.979 0.000 -0.614) 9.997 2.257 ( -4.382 0.000 -3.273) 5.469 2.294 ( -1.165 0.000 2.692) 2.933 2.336 ( -3.837 0.000 -1.097) 3.991 2.359 ( -3.887 0.000 -0.771) 3.962 2.471 ( -6.806 0.000 -2.175) 7.145 2.479 ( -2.668 0.000 3.169) 4.143 2.556 ( -2.730 0.000 -0.788) 2.841 2.777 ( -0.642 0.000 3.107) 3.173 2.823 ( -7.175 0.000 -3.362) 7.924 2.867 ( -2.784 0.000 1.292) 3.070 2.956 ( -0.041 0.000 -0.623) 0.624 2.992 ( -6.223 0.000 -0.781) 6.272 3.227 ( 2.259 0.000 -1.832) 2.909 3.269 ( 1.336 0.000 1.712) 2.172 3.353 ( 7.190 0.000 -1.683) 7.384 3.407 ( 9.542 0.000 -0.862) 9.581 3.594 ( 3.292 0.000 -2.246) 3.985 3.628 ( 5.864 0.000 2.874) 6.530 3.715 ( 4.364 0.000 -1.749) 4.701 3.731 ( 18.698 0.000 -3.195) 18.969 3.981 ( 7.449 0.000 0.039) 7.449 4.220 ( 4.640 0.000 2.699) 5.368 4.344 ( -7.015 0.000 2.285) 7.377 4.500 ( -1.223 0.000 -2.377) 2.673 4.574 ( 7.628 0.000 3.902) 8.568 4.755 ( 11.322 0.000 -5.057) 12.400 4.794 ( 1.123 0.000 -3.218) 3.408 4.932 ( 3.637 0.000 1.503) 3.936 5.002 ( 13.549 0.000 1.670) 13.652 5.013 ( 10.605 0.000 -2.982) 11.016 5.211 ( 11.265 0.000 -4.232) 12.034 5.219 ( 4.074 0.000 -0.548) 4.110 5.265 ( 7.686 0.000 6.761) 10.236 5.325 ( 12.084 0.000 0.437) 12.092 5.674 ( 3.650 0.000 2.156) 4.239 5.692 ( 9.159 0.000 -6.858) 11.442 5.955 ( 9.633 0.000 3.718) 10.326 6.004 ( -9.347 0.000 2.567) 9.693 6.260 ( 4.896 0.000 -8.911) 10.168 6.279 ( 8.921 0.000 -0.081) 8.921 6.404 ( -11.084 0.000 1.635) 11.204 6.548 ( 12.595 0.000 -7.810) 14.820 6.715 ( 5.632 0.000 0.678) 5.672 6.738 ( 4.858 0.000 -0.993) 4.958 6.807 ( 0.735 0.000 3.084) 3.170 6.920 ( -4.537 0.000 2.282) 5.078 7.095 ( 3.945 0.000 0.662) 4.000 7.406 ( -10.283 0.000 -7.797) 12.904 7.517 ( -1.279 0.000 -0.197) 1.294 7.589 ( -2.161 0.000 2.436) 3.256 7.810 ( -8.428 0.000 -1.527) 8.565 7.953 ( -9.107 0.000 1.818) 9.287 8.046 ( -6.551 0.000 -0.001) 6.551 8.088 ( -8.701 0.000 -6.148) 10.654 8.271 ( -13.540 0.000 -4.160) 14.165 8.564 ( -10.405 0.000 -10.926) 15.088 8.738 ( -3.713 0.000 3.542) 5.132 8.757 ( -11.238 0.000 -10.659) 15.489 8.807 ( -4.013 0.000 7.284) 8.316 8.953 ( 2.079 0.000 0.940) 2.281 9.040 ( 6.574 0.000 -2.681) 7.100 9.129 ( 6.055 0.000 -3.129) 6.816 9.349 ( 1.755 0.000 -1.195) 2.123 9.369 ( 3.897 0.000 -0.244) 3.905 9.507 ( 0.754 0.000 3.038) 3.130 9.614 ( -3.241 0.000 4.664) 5.680 9.956 ( -9.416 0.000 -1.079) 9.478 10.123 ( 6.648 0.000 40.353) 40.897 10.488 ( 4.617 0.000 3.929) 6.062 10.940 ( 2.422 0.000 -11.136) 11.396 11.236 ( 0.761 0.000 0.314) 0.824 11.366 ( 3.845 0.000 -0.656) 3.901 11.536 ( 2.650 0.000 6.871) 7.364 11.901 ( 11.376 0.000 -2.308) 11.608 12.166 ( 11.563 0.000 -9.248) 14.806 12.990 ( 23.703 0.000 2.868) 23.876 ======================= Grid point 77 (34/81) ======================= q-point: (-0.08 0.00 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -15.458 0.000 5.086) 16.273 0.401 ( -20.096 0.000 3.301) 20.365 0.609 ( -16.222 0.000 17.038) 23.526 0.785 ( -6.701 0.000 -2.821) 7.270 0.891 ( -6.066 0.000 7.621) 9.740 0.975 ( -5.681 0.000 5.062) 7.609 1.016 ( -6.729 0.000 -0.680) 6.763 1.075 ( -7.843 0.000 -4.142) 8.869 1.107 ( -5.147 0.000 7.044) 8.724 1.151 ( -1.925 0.000 6.009) 6.310 1.157 ( -5.826 0.000 3.711) 6.908 1.204 ( -5.986 0.000 0.392) 5.999 1.211 ( -3.780 0.000 -2.424) 4.491 1.301 ( -0.695 0.000 4.742) 4.793 1.403 ( -6.851 0.000 -1.333) 6.979 1.413 ( -8.140 0.000 5.032) 9.570 1.457 ( -2.679 0.000 1.399) 3.022 1.484 ( -3.431 0.000 2.490) 4.239 1.599 ( -4.667 0.000 0.292) 4.676 1.607 ( -1.216 0.000 -0.427) 1.289 1.630 ( -7.841 0.000 2.004) 8.093 1.666 ( -4.089 0.000 -0.470) 4.116 1.703 ( -6.547 0.000 -0.957) 6.617 1.731 ( -3.466 0.000 3.249) 4.751 1.798 ( -8.172 0.000 1.502) 8.309 1.807 ( -4.129 0.000 -1.511) 4.397 1.890 ( -4.736 0.000 0.805) 4.804 1.932 ( -9.512 0.000 -0.432) 9.522 1.947 ( -3.075 0.000 -0.857) 3.193 1.990 ( -4.303 0.000 -0.560) 4.339 2.049 ( -2.021 0.000 -4.043) 4.520 2.165 ( 0.283 0.000 0.253) 0.380 2.170 ( -3.174 0.000 -2.671) 4.148 2.250 ( -6.410 0.000 -2.861) 7.020 2.291 ( -1.687 0.000 0.780) 1.858 2.338 ( 4.187 0.000 2.546) 4.901 2.381 ( 0.102 0.000 0.935) 0.941 2.453 ( -1.011 0.000 1.527) 1.831 2.574 ( 2.480 0.000 -0.851) 2.622 2.726 ( -0.123 0.000 -2.404) 2.407 2.833 ( 3.203 0.000 -0.484) 3.239 2.867 ( 1.736 0.000 -1.802) 2.502 2.899 ( -2.778 0.000 -1.581) 3.197 2.967 ( 0.775 0.000 -1.331) 1.540 3.260 ( 2.001 0.000 -1.565) 2.540 3.292 ( 0.392 0.000 0.188) 0.435 3.449 ( 1.794 0.000 2.176) 2.820 3.610 ( 10.500 0.000 -5.386) 11.801 3.694 ( 11.162 0.000 -6.038) 12.690 3.737 ( 4.139 0.000 -0.256) 4.147 3.804 ( 5.956 0.000 6.241) 8.627 4.070 ( 12.117 0.000 -4.818) 13.039 4.138 ( 14.192 0.000 1.996) 14.332 4.214 ( -7.529 0.000 2.730) 8.009 4.250 ( -3.676 0.000 -1.050) 3.823 4.467 ( -0.711 0.000 -2.850) 2.938 4.704 ( 4.448 0.000 0.939) 4.546 4.726 ( -4.081 0.000 -0.845) 4.167 4.911 ( 6.158 0.000 -4.352) 7.540 4.949 ( -2.534 0.000 -0.235) 2.544 5.103 ( -1.477 0.000 0.339) 1.516 5.200 ( 8.286 0.000 -8.971) 12.212 5.340 ( 2.505 0.000 -4.350) 5.020 5.452 ( 9.799 0.000 1.582) 9.926 5.508 ( 13.594 0.000 4.501) 14.320 5.518 ( 2.968 0.000 2.512) 3.888 5.712 ( -1.366 0.000 -5.973) 6.127 5.731 ( 11.045 0.000 1.732) 11.180 5.915 ( 1.191 0.000 4.600) 4.752 6.100 ( 2.507 0.000 -4.560) 5.203 6.191 ( -7.887 0.000 3.633) 8.684 6.212 ( -8.033 0.000 -9.277) 12.272 6.246 ( -10.456 0.000 -8.234) 13.309 6.629 ( -3.939 0.000 -3.406) 5.207 6.713 ( -1.393 0.000 2.050) 2.479 6.751 ( -6.611 0.000 -3.870) 7.661 6.831 ( 3.965 0.000 1.949) 4.418 6.946 ( 5.865 0.000 -0.543) 5.890 7.209 ( 5.380 0.000 -1.252) 5.524 7.247 ( -4.231 0.000 -7.586) 8.687 7.428 ( -0.900 0.000 -1.693) 1.918 7.518 ( -8.726 0.000 -0.816) 8.764 7.669 ( -11.809 0.000 1.130) 11.863 7.751 ( -5.627 0.000 0.363) 5.639 7.930 ( -5.420 0.000 -6.353) 8.350 7.960 ( -7.609 0.000 -7.501) 10.684 8.037 ( -23.127 0.000 -15.453) 27.814 8.112 ( -2.108 0.000 -1.739) 2.733 8.565 ( -3.796 0.000 -4.370) 5.789 8.657 ( -6.091 0.000 0.914) 6.159 8.790 ( -2.685 0.000 8.514) 8.928 8.952 ( -1.629 0.000 0.213) 1.643 9.119 ( 3.751 0.000 -3.407) 5.067 9.200 ( 4.096 0.000 -4.409) 6.018 9.371 ( 1.394 0.000 -0.392) 1.448 9.481 ( 4.007 0.000 -0.356) 4.023 9.553 ( 1.816 0.000 2.874) 3.400 9.594 ( -2.960 0.000 6.301) 6.961 9.841 ( -3.364 0.000 5.885) 6.779 10.584 ( 2.977 0.000 3.462) 4.566 10.691 ( 19.500 0.000 16.473) 25.526 10.897 ( 0.248 0.000 -8.627) 8.631 11.380 ( 18.589 0.000 30.535) 35.749 11.421 ( 2.016 0.000 1.279) 2.387 11.613 ( 2.088 0.000 3.131) 3.764 12.083 ( 9.054 0.000 -3.661) 9.766 12.354 ( 15.615 0.000 14.180) 21.092 13.363 ( 13.476 0.000 -0.073) 13.477 ======================= Grid point 78 (35/81) ======================= q-point: ( 0.00 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 4.169 8.915 10.594) 14.460 0.502 ( -0.765 14.869 7.806) 16.811 0.669 ( -0.134 6.151 17.748) 18.784 0.765 ( -4.406 4.394 3.074) 6.941 0.800 ( -3.826 2.754 -1.767) 5.034 0.856 ( 0.212 -5.180 2.691) 5.841 0.903 ( -0.202 -1.350 5.902) 6.057 0.993 ( -0.158 0.317 1.482) 1.524 1.042 ( -1.626 5.106 -5.583) 7.739 1.115 ( -2.065 2.627 2.056) 3.923 1.187 ( -0.468 5.433 3.083) 6.264 1.257 ( 0.116 1.741 3.768) 4.153 1.287 ( -0.515 2.803 3.512) 4.523 1.319 ( -0.346 2.379 1.654) 2.918 1.373 ( 3.226 0.521 7.593) 8.266 1.435 ( 1.903 0.692 -0.402) 2.065 1.461 ( -1.834 2.525 4.361) 5.363 1.492 ( -1.760 -0.709 -0.066) 1.898 1.543 ( 0.002 4.919 -1.262) 5.078 1.600 ( -0.323 -2.211 4.545) 5.065 1.628 ( 1.638 1.154 1.077) 2.275 1.653 ( 1.651 1.103 1.590) 2.544 1.684 ( 4.113 0.145 2.803) 4.979 1.708 ( 1.225 -0.239 1.987) 2.346 1.754 ( 0.390 2.899 1.023) 3.099 1.789 ( -1.800 -0.590 -0.981) 2.133 1.836 ( -1.521 1.327 -1.169) 2.333 1.864 ( -0.437 1.418 -1.453) 2.077 1.926 ( 2.140 5.015 -4.331) 6.964 2.017 ( 1.511 -3.036 -2.386) 4.146 2.052 ( 0.601 6.167 -2.586) 6.714 2.091 ( -2.714 -0.688 0.397) 2.828 2.142 ( -1.630 -0.724 -0.973) 2.031 2.183 ( -1.667 2.160 -3.342) 4.314 2.280 ( -0.196 0.520 -1.830) 1.912 2.317 ( 0.352 -1.475 -1.539) 2.161 2.413 ( 0.979 -3.613 -0.496) 3.776 2.440 ( 2.622 -8.582 -3.303) 9.562 2.481 ( 0.180 -9.159 0.938) 9.208 2.636 ( -3.192 -11.788 -3.537) 12.714 2.804 ( -0.025 -0.364 -1.086) 1.145 2.848 ( 0.426 -1.638 -1.325) 2.150 2.910 ( -0.844 -2.554 -3.868) 4.711 2.954 ( 2.807 -1.451 -3.127) 4.445 3.306 ( 0.333 2.783 -0.718) 2.893 3.333 ( 0.076 3.802 -1.821) 4.216 3.441 ( 0.361 -1.411 2.244) 2.675 3.536 ( -1.111 -2.163 -2.338) 3.374 3.828 ( -1.451 1.445 3.516) 4.069 3.856 ( 1.659 0.193 4.736) 5.022 3.982 ( 3.773 6.011 -2.908) 7.669 4.087 ( -5.687 1.954 -3.321) 6.870 4.164 ( -5.124 2.249 2.301) 6.051 4.222 ( 1.755 -1.669 2.490) 3.474 4.321 ( -0.495 -3.227 -2.248) 3.964 4.376 ( 6.894 -3.766 -2.498) 8.243 4.663 ( -3.775 -1.287 2.748) 4.844 4.704 ( 4.234 -1.814 1.826) 4.955 4.798 ( 2.003 2.139 -3.112) 4.274 4.892 ( -1.642 -0.200 -4.784) 5.062 5.088 ( 1.876 3.225 1.026) 3.870 5.121 ( -5.559 3.656 -1.940) 6.931 5.380 ( -6.548 2.495 6.431) 9.511 5.401 ( 0.655 0.389 5.032) 5.089 5.626 ( 7.235 -3.159 -1.495) 8.035 5.699 ( 5.978 -4.741 -1.731) 7.823 5.771 ( -2.305 -2.125 -1.826) 3.629 5.828 ( -8.951 -1.836 -1.335) 9.235 5.913 ( -2.343 1.409 -3.825) 4.702 5.988 ( -2.194 -3.385 1.867) 4.445 6.010 ( 1.422 -0.290 -3.696) 3.970 6.165 ( -3.028 -4.083 -3.961) 6.444 6.286 ( 14.934 0.843 8.247) 17.081 6.441 ( 8.691 -7.467 2.951) 11.832 6.666 ( -4.233 1.868 -1.763) 4.951 6.685 ( -6.521 -0.423 -2.948) 7.169 6.867 ( -1.011 2.557 -2.094) 3.456 6.964 ( 7.617 -0.606 -5.751) 9.563 7.168 ( -0.304 0.044 -1.998) 2.022 7.207 ( -1.610 -1.470 -3.211) 3.882 7.317 ( -8.693 5.296 -0.823) 10.212 7.412 ( -0.241 2.161 -1.096) 2.435 7.582 ( 0.398 1.473 0.625) 1.649 7.681 ( 1.543 -1.185 -3.888) 4.347 7.767 ( 2.085 2.185 3.853) 4.896 7.914 ( 3.322 -1.829 -0.095) 3.793 7.985 ( -0.638 1.245 -1.821) 2.297 8.065 ( 1.649 -2.271 -3.162) 4.228 8.397 ( -3.233 -7.170 -1.429) 7.994 8.498 ( 2.594 -5.713 -5.274) 8.197 8.797 ( -0.046 0.951 5.051) 5.140 8.892 ( 0.399 -4.948 2.302) 5.472 9.043 ( -1.231 0.324 1.138) 1.708 9.163 ( 0.939 -3.805 -3.598) 5.320 9.439 ( 1.469 2.161 0.562) 2.673 9.487 ( -2.941 -0.530 -0.438) 3.021 9.547 ( -2.415 -0.691 4.353) 5.026 9.567 ( -1.491 -1.215 3.006) 3.569 10.104 ( 2.322 15.034 13.140) 20.102 10.590 ( -9.175 -4.189 -2.291) 10.343 10.673 ( 0.123 4.227 2.444) 4.884 10.834 ( 1.690 -2.209 -4.172) 5.014 11.319 ( 0.338 -3.138 3.418) 4.652 11.499 ( -1.517 -6.999 -3.302) 7.886 12.036 ( -0.290 17.637 11.902) 21.279 12.414 ( 0.500 8.156 0.794) 8.209 13.223 ( 13.956 -1.686 -4.768) 14.844 13.382 ( -3.695 -4.926 -6.102) 8.669 ======================= Grid point 79 (36/81) ======================= q-point: ( 0.08 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 5.238 7.644 7.766) 12.090 0.644 ( 6.344 6.563 10.820) 14.156 0.720 ( 3.655 5.015 -3.794) 7.274 0.820 ( 3.599 2.466 2.495) 5.026 0.891 ( 7.463 -1.248 6.070) 9.701 0.943 ( 4.889 -5.306 7.541) 10.437 1.003 ( 4.894 3.748 -3.981) 7.338 1.061 ( 8.376 6.320 3.899) 11.193 1.111 ( 9.170 0.277 1.318) 9.268 1.163 ( 6.167 0.685 2.291) 6.614 1.207 ( 2.190 1.966 -0.840) 3.060 1.297 ( 4.041 7.599 4.046) 9.510 1.329 ( 3.487 2.938 4.849) 6.657 1.376 ( 1.945 3.853 1.234) 4.489 1.432 ( 2.518 -1.382 2.362) 3.719 1.487 ( 3.844 1.720 0.593) 4.253 1.520 ( 3.784 2.220 2.468) 5.034 1.579 ( 8.592 -1.082 0.033) 8.660 1.610 ( 5.715 3.808 -1.494) 7.028 1.635 ( 1.638 -3.133 4.028) 5.359 1.665 ( 2.159 -2.818 -1.139) 3.728 1.708 ( 1.463 -0.619 0.327) 1.622 1.749 ( 2.916 2.280 0.867) 3.802 1.805 ( 5.945 1.328 1.413) 6.253 1.827 ( 6.811 2.856 0.915) 7.442 1.848 ( 6.238 0.542 3.351) 7.102 1.877 ( 5.265 1.169 -3.028) 6.185 1.916 ( 8.158 1.908 2.539) 8.754 1.973 ( 4.820 5.463 -3.008) 7.882 2.032 ( 1.736 -0.200 -1.450) 2.271 2.058 ( 1.887 0.040 -1.878) 2.663 2.080 ( 2.118 1.342 -5.810) 6.328 2.136 ( 2.787 -1.647 -0.550) 3.283 2.172 ( 2.908 2.159 1.408) 3.886 2.270 ( 0.615 0.446 -0.544) 0.935 2.332 ( 0.092 -3.532 -1.154) 3.717 2.385 ( -2.231 -4.379 -0.348) 4.927 2.444 ( 1.361 -3.707 -1.526) 4.233 2.484 ( 1.558 -5.453 1.458) 5.855 2.553 ( 0.207 -7.877 -4.360) 9.005 2.785 ( -0.883 -1.087 -0.184) 1.413 2.840 ( -0.445 -2.846 -0.291) 2.895 2.877 ( 0.107 -1.450 -3.079) 3.405 2.907 ( -1.068 -2.317 -1.057) 2.761 3.280 ( -1.700 2.144 -0.688) 2.822 3.324 ( 0.516 3.261 -1.019) 3.455 3.420 ( -3.927 -0.098 1.114) 4.083 3.560 ( -0.017 -2.347 -2.693) 3.572 3.671 ( -6.150 1.748 -2.728) 6.951 3.782 ( -13.620 -0.554 6.800) 15.233 3.936 ( -8.862 0.683 -3.334) 9.493 3.972 ( -10.633 -0.987 -2.853) 11.053 4.140 ( 5.550 5.325 2.426) 8.065 4.212 ( -2.621 -0.415 -1.159) 2.895 4.300 ( -4.970 -2.999 0.727) 5.850 4.367 ( 1.563 -2.335 -1.347) 3.117 4.738 ( -4.457 0.753 2.126) 4.996 4.774 ( 2.304 0.771 -4.116) 4.780 4.847 ( 5.134 -1.347 2.240) 5.761 4.902 ( 2.542 -1.379 -3.850) 4.815 5.006 ( -5.168 2.046 -0.855) 5.623 5.069 ( -3.936 0.228 1.294) 4.149 5.325 ( -10.641 -1.124 2.740) 11.045 5.364 ( -8.733 -1.671 -0.368) 8.899 5.483 ( -6.212 3.118 -1.793) 7.178 5.618 ( -13.226 -2.549 2.561) 13.711 5.727 ( 1.985 1.101 2.295) 3.228 5.788 ( -0.209 0.839 -2.405) 2.556 5.911 ( 1.486 0.460 1.905) 2.460 5.979 ( -1.375 -2.210 -2.273) 3.456 6.111 ( 9.785 -3.918 1.114) 10.599 6.209 ( 10.616 -16.290 -3.355) 19.731 6.405 ( -5.890 -2.856 -6.323) 9.101 6.434 ( -5.103 -2.404 -5.174) 7.654 6.633 ( 3.343 2.536 4.539) 6.181 6.794 ( 1.649 -4.588 0.322) 4.886 6.858 ( 10.701 4.550 -0.275) 11.631 7.014 ( -3.280 -3.401 -5.877) 7.540 7.126 ( -1.992 7.518 -7.071) 10.512 7.194 ( -0.865 2.210 -1.293) 2.702 7.410 ( 15.805 0.909 3.280) 16.167 7.515 ( 9.696 -0.705 1.377) 9.818 7.677 ( 11.859 1.306 -0.057) 11.931 7.703 ( 2.874 0.920 -2.601) 3.984 7.853 ( 3.127 0.187 2.038) 3.738 7.950 ( 2.282 -2.995 0.690) 3.828 8.023 ( 9.361 2.448 -5.292) 11.029 8.102 ( 4.182 -0.161 -4.266) 5.977 8.388 ( 3.311 -6.900 -0.532) 7.672 8.551 ( 5.610 -11.003 -4.559) 13.166 8.835 ( 1.003 0.715 3.646) 3.848 8.938 ( 2.941 -7.959 0.565) 8.504 9.047 ( 0.437 5.079 3.315) 6.081 9.155 ( 0.624 -3.562 -3.433) 4.986 9.393 ( -5.884 1.422 0.549) 6.078 9.455 ( -1.385 3.040 0.566) 3.388 9.528 ( -2.450 -2.833 3.496) 5.124 9.541 ( -2.267 -1.074 2.703) 3.687 10.251 ( 2.524 9.272 13.825) 16.837 10.383 ( -9.722 8.644 1.766) 13.128 10.666 ( -2.526 5.290 3.306) 6.730 10.861 ( 4.237 -2.635 -5.911) 7.735 11.321 ( -2.660 -5.558 3.937) 7.312 11.427 ( -3.566 -7.310 -3.020) 8.676 12.014 ( -9.494 21.753 13.796) 27.453 12.294 ( -11.103 15.943 -6.215) 20.398 13.052 ( -21.052 -6.394 -7.301) 23.182 13.092 ( -22.520 -8.745 2.850) 24.326 ======================= Grid point 80 (37/81) ======================= q-point: ( 0.15 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 11.380 2.075 4.991) 12.599 0.797 ( 5.380 4.454 2.097) 7.293 0.841 ( 8.179 0.396 3.124) 8.764 0.929 ( 5.631 -0.426 2.046) 6.007 1.011 ( 5.417 -0.719 1.957) 5.805 1.064 ( 5.860 -1.245 0.272) 5.998 1.097 ( 6.408 -1.056 1.232) 6.610 1.188 ( 3.143 2.466 0.371) 4.012 1.250 ( 4.809 1.324 -0.092) 4.989 1.293 ( 3.399 2.649 2.454) 4.959 1.328 ( 9.545 2.057 1.584) 9.892 1.391 ( 4.465 4.104 0.422) 6.079 1.434 ( 5.581 3.324 -1.908) 6.770 1.473 ( 3.789 0.151 2.231) 4.400 1.538 ( 6.194 1.605 2.901) 7.026 1.567 ( 2.930 0.509 1.294) 3.243 1.602 ( 2.782 6.212 1.258) 6.922 1.667 ( 1.436 3.801 -2.817) 4.944 1.684 ( 4.068 -2.160 1.166) 4.751 1.701 ( 3.510 -3.283 0.916) 4.892 1.714 ( 3.559 1.774 -0.938) 4.086 1.792 ( 6.505 -2.705 -1.434) 7.189 1.828 ( 6.495 0.259 0.409) 6.514 1.907 ( 2.465 3.817 -0.609) 4.584 1.925 ( 4.355 -0.126 -1.916) 4.760 1.972 ( 6.783 1.589 1.742) 7.181 1.990 ( 4.599 1.046 -1.514) 4.953 2.007 ( 4.754 -1.221 -0.844) 4.981 2.045 ( 4.504 -0.033 -3.674) 5.813 2.103 ( 5.799 -1.241 3.017) 6.653 2.143 ( 4.953 0.466 -0.341) 4.986 2.178 ( 7.850 -1.559 -0.555) 8.022 2.244 ( 2.887 -1.340 1.809) 3.661 2.276 ( 8.742 -0.529 1.963) 8.975 2.339 ( 4.607 0.910 2.019) 5.111 2.369 ( 9.017 1.146 0.211) 9.092 2.425 ( 5.243 -2.194 -1.732) 5.941 2.501 ( 3.122 -4.099 1.292) 5.312 2.518 ( 7.272 -0.623 -2.025) 7.574 2.647 ( 11.751 -0.607 -2.687) 12.069 2.807 ( 4.064 -4.190 0.567) 5.865 2.830 ( 1.440 -1.487 0.165) 2.077 2.927 ( 2.876 -2.440 -0.711) 3.838 2.947 ( 7.682 -2.398 -0.392) 8.057 3.244 ( -2.098 1.302 -0.017) 2.469 3.326 ( -3.612 -2.429 -1.634) 4.649 3.340 ( -0.578 3.827 -0.141) 3.873 3.461 ( -6.234 3.476 -1.178) 7.234 3.561 ( -11.636 0.395 2.807) 11.976 3.589 ( -3.162 -4.271 -3.297) 6.254 3.735 ( -9.447 1.152 -2.877) 9.942 3.766 ( -9.647 0.143 0.628) 9.669 4.082 ( -7.955 0.787 -3.464) 8.712 4.156 ( -4.361 -0.392 4.180) 6.053 4.295 ( 0.489 1.488 1.818) 2.400 4.432 ( 2.851 -2.006 0.812) 3.580 4.567 ( -8.872 2.889 1.356) 9.429 4.706 ( -7.834 -2.743 -2.256) 8.602 4.796 ( -6.642 2.255 -4.314) 8.234 4.900 ( -2.771 -2.023 -0.177) 3.435 4.954 ( -6.343 -2.261 1.456) 6.889 4.979 ( -5.655 -2.877 0.879) 6.405 5.139 ( -7.031 0.092 1.070) 7.113 5.158 ( -5.892 -0.320 -1.961) 6.218 5.347 ( -9.849 1.038 0.478) 9.915 5.370 ( -12.610 0.338 -0.217) 12.616 5.664 ( -6.893 2.048 -1.422) 7.330 5.771 ( -4.201 1.891 -0.068) 4.607 5.874 ( -6.648 -3.367 1.787) 7.663 6.057 ( 3.585 3.852 1.619) 5.506 6.124 ( -13.148 -11.491 -0.709) 17.477 6.273 ( 2.416 -5.139 -0.924) 5.754 6.394 ( 3.857 2.099 -4.943) 6.612 6.443 ( 7.761 -3.982 -2.527) 9.082 6.625 ( -6.851 -0.394 2.695) 7.373 6.804 ( 2.531 -5.189 4.940) 7.599 6.883 ( -4.164 6.834 -5.375) 9.640 7.031 ( -0.959 2.061 -5.555) 6.002 7.093 ( 5.919 0.236 4.596) 7.497 7.131 ( -1.418 0.943 -0.135) 1.708 7.531 ( -0.485 4.561 -5.535) 7.189 7.684 ( 8.370 -0.191 -0.865) 8.417 7.845 ( 7.239 -3.108 1.540) 8.027 7.900 ( 9.513 -3.450 0.440) 10.129 7.991 ( 9.655 0.278 -0.786) 9.691 8.064 ( 8.051 -1.996 2.049) 8.544 8.213 ( 13.345 3.953 -8.675) 16.400 8.278 ( 19.777 1.845 -1.244) 19.902 8.510 ( 8.765 -5.847 1.662) 10.667 8.634 ( 5.312 -13.378 -2.538) 14.616 8.872 ( 0.928 0.809 1.594) 2.014 8.964 ( -0.342 -5.602 -0.865) 5.679 9.068 ( -1.382 1.743 -0.104) 2.227 9.159 ( 0.585 -1.752 -1.903) 2.653 9.293 ( -3.684 5.708 2.363) 7.193 9.410 ( -2.725 3.538 0.381) 4.483 9.483 ( -2.955 -1.986 1.349) 3.807 9.537 ( -0.774 -3.499 2.928) 4.628 10.185 ( -8.326 13.608 5.331) 16.820 10.429 ( 1.727 1.806 13.385) 13.617 10.629 ( -3.431 8.553 3.494) 9.855 10.903 ( 4.816 -2.516 -9.529) 10.969 11.265 ( -4.788 -5.857 1.189) 7.658 11.344 ( -4.783 -7.156 1.658) 8.765 11.880 ( -11.904 20.284 10.867) 25.908 11.969 ( -16.711 15.920 -10.312) 25.279 12.526 ( -23.551 -6.303 -15.652) 28.972 12.699 ( -24.418 -11.964 11.559) 29.546 ======================= Grid point 81 (38/81) ======================= q-point: ( 0.23 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 3.359 2.154 0.708) 4.053 0.904 ( 7.483 -0.829 3.371) 8.249 0.968 ( 1.059 -0.452 5.952) 6.062 1.048 ( 8.120 0.054 -2.002) 8.364 1.096 ( 2.489 4.530 -0.921) 5.250 1.192 ( 6.978 -4.903 -1.480) 8.656 1.221 ( 4.310 -4.006 3.495) 6.844 1.248 ( 4.363 2.105 -0.140) 4.847 1.315 ( 2.043 1.432 -1.051) 2.708 1.363 ( 3.667 1.298 2.625) 4.693 1.438 ( 1.597 3.211 -1.364) 3.837 1.494 ( 5.092 2.304 -2.938) 6.314 1.521 ( 5.445 -0.028 0.453) 5.464 1.561 ( 6.545 -0.398 0.033) 6.557 1.587 ( 0.883 2.669 1.591) 3.230 1.625 ( 3.006 -1.411 1.041) 3.480 1.636 ( 1.944 8.598 -1.224) 8.899 1.688 ( 3.704 0.456 -2.327) 4.398 1.726 ( 1.433 -2.222 -4.164) 4.933 1.785 ( 3.111 0.297 2.850) 4.229 1.799 ( 3.182 -3.234 0.392) 4.554 1.826 ( 1.437 -0.364 0.704) 1.641 1.932 ( 2.357 0.901 1.367) 2.870 1.957 ( 3.411 -0.374 -0.328) 3.447 2.004 ( 2.783 -0.988 -2.783) 4.058 2.012 ( 3.011 2.215 1.216) 3.930 2.107 ( 4.898 -1.873 -0.405) 5.259 2.136 ( 4.289 -2.147 -1.337) 4.979 2.153 ( 9.008 2.064 0.799) 9.276 2.184 ( 3.487 1.144 0.100) 3.671 2.234 ( 5.164 -2.524 0.336) 5.757 2.289 ( 2.193 -1.590 -0.984) 2.882 2.332 ( 6.127 -1.149 3.443) 7.121 2.380 ( 4.070 -1.859 -1.038) 4.593 2.451 ( 6.215 1.489 2.215) 6.764 2.517 ( 5.516 -3.629 -1.931) 6.879 2.579 ( 10.035 1.040 2.186) 10.323 2.638 ( 8.535 1.379 -1.557) 8.785 2.659 ( 8.110 1.495 0.528) 8.263 2.897 ( 7.932 -1.726 0.160) 8.119 2.920 ( 9.280 2.039 1.617) 9.638 2.928 ( 7.264 -4.006 0.585) 8.316 3.024 ( 9.514 -1.606 -1.025) 9.703 3.112 ( 7.157 -0.330 0.626) 7.192 3.200 ( -1.336 -0.679 -0.044) 1.499 3.255 ( -1.245 -2.495 -3.769) 4.688 3.335 ( -1.864 1.271 0.729) 2.371 3.369 ( -1.980 3.198 -1.183) 3.944 3.420 ( -2.200 2.318 -0.016) 3.196 3.520 ( -1.381 -2.945 -0.930) 3.383 3.570 ( -6.456 2.194 1.863) 7.069 3.654 ( -2.518 -0.501 -0.362) 2.593 3.918 ( -6.566 1.810 -4.532) 8.181 4.085 ( -5.218 -4.661 2.399) 7.396 4.220 ( -8.166 3.118 3.280) 9.336 4.378 ( -8.689 -3.035 2.972) 9.672 4.504 ( -4.286 3.681 0.154) 5.652 4.586 ( -3.842 0.605 -2.147) 4.442 4.662 ( 0.217 0.495 -2.563) 2.619 4.784 ( -7.202 -1.203 -0.252) 7.306 4.838 ( -5.122 -2.767 -0.582) 5.851 4.863 ( -5.629 -3.674 0.202) 6.725 5.056 ( -4.111 1.133 -1.379) 4.481 5.085 ( -4.745 0.670 1.026) 4.901 5.192 ( -3.972 1.112 0.100) 4.126 5.205 ( -5.784 0.575 -0.456) 5.830 5.502 ( -9.460 1.301 -1.959) 9.748 5.614 ( -12.127 3.893 1.488) 12.823 5.703 ( -12.092 -7.454 -0.404) 14.210 5.843 ( -16.970 -7.160 2.954) 18.654 5.990 ( -9.307 5.151 -1.426) 10.732 6.153 ( -14.357 -1.051 -0.315) 14.399 6.409 ( 2.701 2.421 -1.915) 4.102 6.531 ( 0.717 -4.084 1.267) 4.336 6.551 ( -1.855 3.211 -0.249) 3.717 6.773 ( 0.865 -1.788 -2.627) 3.293 6.889 ( -3.356 -1.626 -3.575) 5.166 6.952 ( -1.336 -1.122 -2.114) 2.741 7.159 ( 2.974 4.985 3.144) 6.601 7.251 ( 3.958 -0.499 7.167) 8.202 7.583 ( 7.389 2.371 -0.711) 7.793 7.751 ( 4.130 -2.298 -2.518) 5.355 7.928 ( 3.180 -0.968 -0.332) 3.341 8.040 ( 3.797 -4.038 -2.610) 6.126 8.182 ( 12.080 1.310 2.369) 12.379 8.235 ( 8.110 -0.783 -2.226) 8.446 8.406 ( 9.836 0.526 -4.848) 10.979 8.619 ( 10.167 2.160 3.548) 10.983 8.653 ( 5.965 -8.664 -1.462) 10.621 8.760 ( 8.536 -3.806 2.362) 9.640 8.858 ( -3.593 -1.415 1.280) 4.069 8.915 ( -5.709 -3.066 -1.623) 6.680 9.003 ( -3.304 3.308 1.107) 4.804 9.095 ( -1.755 0.507 -1.256) 2.217 9.340 ( 5.690 4.737 -3.664) 8.261 9.407 ( 2.938 2.072 1.276) 3.815 9.456 ( -0.206 -2.191 0.886) 2.373 9.550 ( 0.876 -3.715 2.594) 4.615 10.102 ( -4.739 13.468 7.595) 16.172 10.477 ( -4.690 -4.197 10.194) 11.981 10.592 ( -1.944 12.018 1.768) 12.301 10.911 ( 3.224 -1.626 -13.730) 14.197 11.162 ( -5.454 -4.432 -3.636) 7.913 11.279 ( -5.261 -7.971 8.434) 12.742 11.597 ( -14.748 12.012 -9.100) 21.085 11.745 ( -8.599 15.174 7.024) 18.802 12.062 ( -16.758 -7.111 -12.319) 21.980 12.324 ( -21.751 -9.815 7.646) 25.058 ======================= Grid point 82 (39/81) ======================= q-point: ( 0.31 0.25 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -2.072 0.998 1.766) 2.899 0.945 ( -3.572 -0.628 2.057) 4.170 1.022 ( 0.885 3.474 2.189) 4.201 1.099 ( -1.262 2.811 0.611) 3.141 1.164 ( 3.962 1.847 -2.496) 5.034 1.267 ( 4.855 -0.978 -5.731) 7.575 1.291 ( 0.504 -1.104 -1.510) 1.937 1.337 ( 4.376 -1.126 -1.616) 4.799 1.351 ( 4.144 -3.431 2.849) 6.087 1.428 ( 3.015 -4.103 -0.607) 5.127 1.492 ( 4.725 2.534 1.795) 5.654 1.552 ( 4.287 1.566 -1.038) 4.680 1.613 ( 3.915 -0.701 -0.953) 4.090 1.639 ( 3.614 1.597 0.470) 3.979 1.661 ( 1.807 -1.064 2.128) 2.988 1.674 ( 1.822 2.887 0.494) 3.449 1.690 ( 4.550 3.044 1.541) 5.687 1.763 ( 5.497 -0.895 -1.607) 5.796 1.793 ( 4.162 1.495 1.541) 4.683 1.805 ( 2.385 -2.180 2.618) 4.159 1.854 ( 2.421 -1.006 -0.716) 2.718 1.896 ( 3.421 -2.107 1.381) 4.249 1.955 ( 0.106 -1.458 0.226) 1.479 2.011 ( 3.088 1.136 0.316) 3.305 2.049 ( 3.316 -0.347 -1.819) 3.798 2.081 ( 3.978 1.774 0.253) 4.363 2.168 ( 0.109 1.636 0.127) 1.645 2.184 ( 2.726 1.505 -0.616) 3.174 2.230 ( 3.290 0.447 0.005) 3.321 2.276 ( 0.967 -1.814 -1.337) 2.452 2.303 ( 1.358 -1.122 0.814) 1.940 2.354 ( 7.421 -2.703 -1.323) 8.008 2.391 ( 2.731 1.436 -1.168) 3.299 2.432 ( 1.880 -2.327 -1.580) 3.383 2.610 ( 6.133 -0.963 -1.779) 6.458 2.637 ( 8.443 -2.448 2.751) 9.211 2.713 ( 5.400 -0.293 -0.219) 5.412 2.784 ( 6.972 -0.460 -0.566) 7.010 2.839 ( 9.492 -1.975 2.247) 9.953 2.958 ( 0.576 -3.868 0.678) 3.969 3.011 ( 3.975 1.101 -0.198) 4.129 3.076 ( 1.670 4.237 0.942) 4.650 3.087 ( -1.096 1.419 -0.263) 1.812 3.175 ( -2.421 -2.289 -0.677) 3.400 3.213 ( 3.359 -2.319 -1.391) 4.312 3.246 ( 0.052 -1.860 -0.799) 2.025 3.339 ( 4.779 2.325 1.017) 5.410 3.386 ( 0.585 0.094 -1.691) 1.792 3.470 ( 5.803 3.022 2.106) 6.873 3.496 ( 3.041 3.982 -2.136) 5.446 3.624 ( 5.506 -1.565 3.161) 6.539 3.660 ( 2.055 -0.668 0.374) 2.193 3.824 ( 2.220 1.798 -5.077) 5.825 4.001 ( -4.256 -4.848 2.406) 6.885 4.115 ( -3.256 1.814 -0.253) 3.736 4.244 ( -5.798 -2.928 0.800) 6.544 4.359 ( -8.158 5.574 2.365) 10.159 4.536 ( -3.621 -1.096 -1.058) 3.928 4.643 ( -5.840 -0.313 -0.100) 5.849 4.704 ( 1.523 -1.654 -1.701) 2.819 4.777 ( -0.752 -0.958 0.519) 1.324 4.820 ( -0.257 -1.082 0.757) 1.345 4.954 ( -4.692 1.813 -2.550) 5.639 5.011 ( -2.731 0.572 0.913) 2.936 5.105 ( -3.826 1.852 -1.717) 4.584 5.172 ( -2.049 -0.543 2.308) 3.134 5.299 ( -10.019 -0.109 -2.772) 10.396 5.371 ( -13.674 3.381 1.544) 14.170 5.435 ( -15.043 -5.709 -1.147) 16.131 5.537 ( -17.398 -2.883 3.398) 17.959 5.784 ( -10.995 3.240 -0.172) 11.463 5.865 ( -14.762 -0.065 -0.017) 14.762 6.451 ( 1.747 1.102 -0.148) 2.071 6.503 ( -0.503 -0.296 -0.122) 0.597 6.549 ( -0.952 1.740 0.759) 2.124 6.745 ( -2.950 -5.268 -6.307) 8.731 6.851 ( 2.641 1.702 1.441) 3.457 6.955 ( 2.446 -2.429 1.214) 3.655 7.155 ( -1.685 4.542 -2.468) 5.437 7.302 ( -3.403 -1.994 2.552) 4.698 7.755 ( 9.487 3.083 5.916) 11.597 7.794 ( 0.883 2.580 -3.222) 4.221 8.041 ( 0.284 -4.434 -4.673) 6.448 8.058 ( 6.149 -5.738 6.840) 10.840 8.295 ( 3.906 1.618 -6.871) 8.067 8.401 ( 6.151 -2.715 1.454) 6.879 8.483 ( 0.967 1.190 -0.278) 1.558 8.665 ( -2.130 -3.680 1.355) 4.462 8.687 ( -5.211 2.713 -0.933) 5.948 8.723 ( -9.582 -0.981 -1.476) 9.744 8.809 ( 0.601 -0.068 2.973) 3.033 8.862 ( -1.731 -0.068 1.536) 2.315 9.057 ( 6.418 -0.065 1.018) 6.499 9.171 ( 8.413 -0.729 0.124) 8.445 9.410 ( 4.878 0.439 -4.600) 6.719 9.493 ( 3.499 -1.679 1.394) 4.123 9.531 ( 8.608 2.717 0.596) 9.047 9.616 ( 4.847 -1.744 1.542) 5.377 10.088 ( -2.300 9.727 7.888) 12.733 10.405 ( -7.647 0.898 7.375) 10.662 10.553 ( -2.235 6.054 -4.261) 7.733 10.856 ( 0.345 -1.799 -15.251) 15.360 11.027 ( -5.840 -1.558 -4.074) 7.289 11.223 ( -7.824 -3.155 8.818) 12.204 11.345 ( -7.968 3.736 -1.283) 8.894 11.631 ( -9.611 6.133 5.474) 12.647 11.760 ( -8.015 -3.600 -8.351) 12.122 12.000 ( -15.738 -6.088 3.221) 17.179 ======================= Grid point 83 (40/81) ======================= q-point: ( 0.38 0.25 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -3.967 1.942 1.087) 4.549 0.879 ( -3.597 -0.505 0.430) 3.657 0.987 ( -3.782 4.128 -0.568) 5.627 1.062 ( -3.110 -0.859 0.073) 3.227 1.192 ( 0.853 3.430 -0.738) 3.610 1.253 ( -0.108 1.123 -5.040) 5.165 1.318 ( 1.696 -1.075 0.952) 2.223 1.397 ( 0.926 -4.129 0.775) 4.301 1.465 ( 8.252 -2.862 -2.034) 8.968 1.510 ( 4.984 -1.654 0.352) 5.263 1.598 ( 4.184 0.861 1.772) 4.625 1.624 ( 3.228 2.548 0.252) 4.120 1.676 ( 1.079 0.614 0.493) 1.336 1.688 ( 3.566 0.636 1.283) 3.843 1.710 ( 3.129 -1.386 1.114) 3.599 1.737 ( 3.841 -0.626 -0.138) 3.894 1.768 ( 2.424 1.548 2.328) 3.701 1.827 ( 2.624 2.398 -0.124) 3.556 1.850 ( 1.400 -1.418 1.134) 2.293 1.892 ( 3.411 -1.785 1.204) 4.034 1.928 ( 3.225 0.423 3.307) 4.639 1.963 ( 3.650 -1.148 -0.303) 3.838 1.975 ( 2.755 0.610 -1.515) 3.203 2.062 ( 3.426 -2.365 -1.178) 4.327 2.098 ( 2.409 0.693 -1.450) 2.896 2.151 ( 3.189 0.228 0.123) 3.200 2.169 ( 0.637 1.094 -0.335) 1.310 2.206 ( -0.020 0.295 -1.866) 1.889 2.269 ( -1.215 1.667 -1.985) 2.863 2.295 ( 3.367 0.862 2.358) 4.200 2.305 ( 0.249 -3.008 0.910) 3.152 2.418 ( 3.664 2.563 -2.719) 5.233 2.457 ( 3.370 -0.254 -3.358) 4.765 2.529 ( 8.326 -6.365 0.132) 10.481 2.678 ( 1.185 -1.617 1.639) 2.590 2.723 ( 0.417 -2.575 0.746) 2.713 2.792 ( 1.174 -1.320 0.183) 1.776 2.855 ( -0.505 0.145 -0.230) 0.574 2.965 ( 1.093 0.017 -0.254) 1.122 2.982 ( 0.705 -3.159 2.616) 4.162 3.055 ( -1.613 1.402 0.333) 2.163 3.077 ( 2.174 3.093 -0.703) 3.845 3.129 ( 3.806 2.321 -0.836) 4.535 3.140 ( 2.916 -3.206 0.399) 4.352 3.234 ( 0.659 -2.676 -3.899) 4.775 3.258 ( 5.657 -2.340 -0.400) 6.135 3.361 ( 1.184 1.274 -1.623) 2.379 3.451 ( 2.916 0.683 1.183) 3.220 3.533 ( 2.412 3.882 -0.266) 4.578 3.620 ( 7.366 3.404 -1.837) 8.320 3.666 ( -1.264 0.796 1.422) 2.062 3.709 ( 0.288 -1.380 3.815) 4.067 3.924 ( 7.934 0.514 -2.647) 8.379 4.013 ( 3.871 -1.454 0.623) 4.182 4.104 ( 2.508 0.511 -2.147) 3.341 4.181 ( -0.513 -0.436 -0.759) 1.015 4.255 ( -4.822 2.371 2.045) 5.750 4.418 ( -9.167 -2.993 4.739) 10.745 4.583 ( -0.354 0.774 -3.805) 3.899 4.646 ( -6.281 -1.400 -1.069) 6.524 4.775 ( -2.799 -0.514 0.505) 2.890 4.823 ( -0.647 -0.405 3.307) 3.394 4.902 ( 0.250 2.214 -3.601) 4.235 4.986 ( -5.325 3.775 2.074) 6.849 5.007 ( -2.175 -1.351 -2.049) 3.279 5.103 ( -5.852 -0.940 0.733) 5.973 5.138 ( -4.785 -1.757 0.511) 5.123 5.185 ( -8.522 -2.769 -0.469) 8.973 5.207 ( -4.902 2.546 -0.142) 5.525 5.272 ( -11.000 -0.340 1.984) 11.182 5.589 ( -9.584 1.503 -0.391) 9.709 5.622 ( -11.292 -0.110 0.219) 11.294 6.468 ( 0.571 1.432 -0.929) 1.800 6.514 ( 1.256 0.120 -0.052) 1.263 6.545 ( 0.228 0.471 2.463) 2.518 6.662 ( -1.741 -3.183 -4.236) 5.577 6.939 ( 4.776 0.978 1.889) 5.228 7.037 ( 3.295 -2.416 1.005) 4.207 7.107 ( -0.694 2.901 -1.167) 3.203 7.212 ( -5.180 -1.294 -0.236) 5.344 7.758 ( -1.445 2.696 -3.681) 4.786 7.944 ( 0.521 -3.771 -0.339) 3.822 7.985 ( 2.599 1.884 3.408) 4.682 8.188 ( 0.092 -5.025 9.710) 10.934 8.290 ( -0.366 3.182 -6.898) 7.606 8.410 ( -1.332 -2.183 -3.643) 4.451 8.477 ( -3.064 1.305 0.958) 3.465 8.527 ( -6.894 0.496 0.912) 6.972 8.611 ( -1.619 0.586 -0.276) 1.744 8.675 ( 0.874 -2.362 1.938) 3.178 8.822 ( -0.219 0.308 0.036) 0.380 8.846 ( -0.798 0.004 -0.778) 1.114 9.152 ( 3.925 0.587 -0.259) 3.977 9.333 ( 7.093 -5.527 1.937) 9.199 9.457 ( 2.340 3.081 -2.686) 4.710 9.586 ( 5.332 -0.114 0.017) 5.334 9.710 ( 8.784 0.016 0.885) 8.829 9.738 ( 7.216 -0.595 0.467) 7.255 10.092 ( -2.332 6.407 6.467) 9.397 10.306 ( -6.896 5.236 6.291) 10.703 10.454 ( -2.549 2.230 -11.810) 12.286 10.754 ( -1.576 -2.728 -12.574) 12.962 10.931 ( -3.221 0.548 1.652) 3.661 11.101 ( -8.100 4.811 5.259) 10.789 11.249 ( -5.655 -5.815 5.662) 9.892 11.441 ( -10.753 -2.098 1.952) 11.128 11.647 ( -2.826 2.176 -3.299) 4.858 11.797 ( -7.097 -3.384 -0.364) 7.870 ======================= Grid point 84 (41/81) ======================= q-point: ( 0.46 0.25 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -2.372 2.898 -0.355) 3.762 0.822 ( -2.253 0.827 -0.288) 2.417 0.924 ( -1.532 1.627 -2.148) 3.100 0.999 ( -2.384 -2.911 -1.133) 3.929 1.192 ( -0.970 5.662 0.375) 5.757 1.239 ( 1.206 1.369 -1.766) 2.539 1.360 ( 1.663 -1.889 2.479) 3.533 1.407 ( -0.008 -4.709 0.853) 4.786 1.560 ( 1.687 -0.315 0.432) 1.769 1.607 ( 4.644 -0.764 -2.057) 5.136 1.647 ( 0.565 0.325 1.074) 1.256 1.665 ( 0.879 2.339 0.582) 2.566 1.698 ( 0.878 0.769 1.513) 1.911 1.751 ( 1.655 1.146 1.732) 2.655 1.768 ( 1.731 -0.339 -0.055) 1.764 1.789 ( 1.838 1.959 0.033) 2.687 1.823 ( 1.255 -0.907 0.389) 1.596 1.849 ( -0.425 -0.783 -0.283) 0.935 1.880 ( 2.258 1.193 0.986) 2.737 1.945 ( 1.010 -0.634 -0.592) 1.332 1.962 ( 0.668 0.756 1.097) 1.491 1.996 ( 0.561 -2.637 -0.182) 2.702 2.038 ( 1.521 -0.097 2.841) 3.224 2.119 ( 2.661 -3.338 -1.587) 4.554 2.132 ( 1.189 -2.990 -0.312) 3.232 2.161 ( -0.755 -1.219 -4.042) 4.288 2.183 ( -0.276 -0.232 -0.976) 1.040 2.202 ( 2.215 -1.204 -1.177) 2.782 2.244 ( 1.157 3.301 -1.382) 3.761 2.302 ( -0.849 -2.697 -0.198) 2.835 2.367 ( 0.951 2.076 3.972) 4.582 2.473 ( 3.270 3.876 -3.161) 5.976 2.538 ( 7.057 0.715 -1.915) 7.347 2.653 ( -3.667 -3.909 3.215) 6.249 2.680 ( 6.300 -2.829 -0.468) 6.922 2.720 ( -0.398 -0.193 0.161) 0.471 2.753 ( -3.449 -1.215 1.004) 3.792 2.847 ( -0.170 -1.583 1.522) 2.202 2.904 ( -4.516 -1.571 -1.182) 4.925 2.976 ( -2.831 2.061 1.955) 4.011 3.026 ( 1.207 3.882 0.666) 4.119 3.072 ( 0.297 -3.751 -3.281) 4.992 3.148 ( -1.328 -0.557 -2.284) 2.700 3.238 ( 1.428 1.656 -3.538) 4.159 3.270 ( 3.128 -3.231 3.338) 5.600 3.372 ( 3.417 -0.517 -3.082) 4.630 3.420 ( 3.324 -4.335 2.175) 5.880 3.486 ( 2.291 -0.133 -1.904) 2.981 3.555 ( -1.176 4.198 2.391) 4.972 3.618 ( -0.056 2.108 -0.024) 2.108 3.725 ( 0.385 2.508 -0.107) 2.540 3.749 ( 6.274 0.329 -3.263) 7.079 4.041 ( 3.529 0.417 -0.540) 3.595 4.059 ( 0.118 0.215 -0.736) 0.775 4.130 ( -0.557 2.082 0.791) 2.295 4.192 ( 2.076 1.908 -1.169) 3.052 4.248 ( 0.223 -2.612 2.024) 3.312 4.272 ( -3.830 -1.591 2.020) 4.613 4.506 ( -7.356 0.569 1.886) 7.616 4.562 ( -0.098 -2.284 -2.398) 3.313 4.686 ( -5.246 1.482 1.520) 5.659 4.813 ( -1.492 -3.550 2.823) 4.775 4.828 ( -3.135 3.635 -4.364) 6.487 4.924 ( -1.126 1.934 1.864) 2.913 4.978 ( -1.162 -2.240 -1.370) 2.871 5.046 ( -3.577 -3.359 0.050) 4.907 5.099 ( 1.701 -0.231 0.600) 1.818 5.130 ( 0.846 0.460 1.741) 1.990 5.158 ( -0.767 2.007 0.008) 2.149 5.189 ( -0.411 1.358 -0.732) 1.596 5.445 ( -4.364 0.749 -0.715) 4.485 5.453 ( -6.120 0.377 0.304) 6.139 6.477 ( 0.891 1.130 -0.087) 1.442 6.525 ( -0.216 -0.196 -0.705) 0.763 6.576 ( 0.659 -0.100 2.435) 2.524 6.640 ( 1.089 -2.088 -1.652) 2.877 7.011 ( 2.024 0.934 -0.384) 2.262 7.038 ( -0.630 1.272 -0.597) 1.540 7.128 ( -0.167 -0.887 0.187) 0.922 7.155 ( -0.994 -0.745 0.854) 1.507 7.742 ( 1.990 1.411 -0.279) 2.456 7.883 ( -0.031 -4.649 -2.535) 5.295 8.035 ( -4.454 2.768 0.070) 5.244 8.139 ( -7.193 -1.775 -0.167) 7.411 8.283 ( 3.871 1.792 2.949) 5.186 8.391 ( -0.113 -1.215 1.229) 1.732 8.448 ( 0.872 2.103 0.467) 2.324 8.476 ( -0.540 0.157 3.187) 3.237 8.597 ( -0.298 0.712 -0.974) 1.242 8.701 ( -0.284 -3.463 0.303) 3.488 8.801 ( -1.624 -0.428 -2.743) 3.216 8.819 ( 0.004 -0.690 -2.623) 2.712 9.215 ( 2.500 1.617 1.339) 3.264 9.416 ( 0.163 -4.430 -2.102) 4.906 9.489 ( 3.164 2.303 1.326) 4.131 9.663 ( 2.147 -1.025 -0.639) 2.463 9.830 ( 4.247 -0.623 -0.760) 4.359 9.850 ( 2.471 -1.245 0.401) 2.796 10.070 ( -3.217 5.577 4.111) 7.639 10.237 ( -4.018 8.674 4.701) 10.653 10.361 ( 0.736 -0.120 -9.874) 9.902 10.674 ( 0.744 -3.414 -9.829) 10.431 10.928 ( 0.861 1.195 5.016) 5.228 11.015 ( -3.677 3.794 4.048) 6.656 11.196 ( -3.891 -3.712 7.856) 9.520 11.304 ( -4.785 -2.680 2.240) 5.924 11.593 ( -0.591 1.408 -2.862) 3.244 11.704 ( -2.378 -2.809 -3.546) 5.110 ======================= Grid point 85 (42/81) ======================= q-point: (-0.46 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.620 2.062 -0.377) 2.185 0.812 ( 1.724 3.244 -0.676) 3.735 0.898 ( -0.309 -0.979 -0.474) 1.131 0.980 ( 1.295 -1.587 -2.550) 3.271 1.171 ( -0.866 5.338 -0.207) 5.412 1.267 ( 2.092 1.307 -0.898) 2.625 1.400 ( 0.599 -3.749 1.409) 4.050 1.417 ( 0.988 -3.131 1.011) 3.435 1.547 ( -3.362 -0.379 0.638) 3.443 1.616 ( -1.671 -0.562 -0.994) 2.024 1.649 ( -1.285 -0.946 1.077) 1.925 1.654 ( -1.815 2.444 0.827) 3.155 1.717 ( -1.802 2.063 1.348) 3.053 1.745 ( -1.806 -0.244 1.109) 2.133 1.763 ( -2.591 -1.906 -0.992) 3.366 1.795 ( -2.017 2.221 -1.574) 3.388 1.810 ( -0.881 2.674 1.328) 3.113 1.849 ( -0.641 -1.954 2.298) 3.084 1.896 ( -2.017 0.517 1.316) 2.463 1.924 ( -2.048 -1.295 -0.446) 2.464 1.973 ( -1.236 0.608 1.245) 1.857 2.003 ( 0.587 -1.377 -0.468) 1.568 2.057 ( -0.613 -0.155 2.122) 2.214 2.082 ( -1.607 -1.702 -3.709) 4.386 2.140 ( -0.899 -2.356 -0.099) 2.523 2.162 ( -0.523 -2.417 -0.664) 2.560 2.174 ( 0.517 1.288 -1.064) 1.749 2.211 ( -0.955 1.629 -1.901) 2.679 2.250 ( 0.269 -1.137 -0.978) 1.524 2.288 ( -0.405 -0.567 -0.391) 0.799 2.373 ( -1.656 1.130 1.733) 2.650 2.486 ( -0.239 -0.216 -2.639) 2.658 2.556 ( -2.933 0.452 -0.866) 3.091 2.660 ( -4.253 -1.024 1.003) 4.488 2.693 ( 6.021 1.955 -0.009) 6.330 2.732 ( -2.047 -0.486 0.633) 2.197 2.805 ( 2.920 -5.289 0.298) 6.049 2.821 ( 0.737 -3.324 2.687) 4.338 2.874 ( -0.033 -1.115 -1.706) 2.038 2.957 ( -1.042 3.447 3.077) 4.737 3.030 ( 0.558 -2.461 -2.673) 3.676 3.092 ( 0.175 1.689 1.508) 2.271 3.102 ( 0.119 0.819 -2.178) 2.330 3.216 ( -0.891 -0.494 -3.335) 3.487 3.278 ( -2.513 -3.573 0.344) 4.382 3.312 ( -5.957 2.211 -1.798) 6.604 3.435 ( -1.029 -4.714 2.643) 5.502 3.446 ( -4.587 0.310 -1.511) 4.839 3.599 ( 0.492 2.467 1.211) 2.792 3.634 ( -2.538 1.555 -2.061) 3.620 3.713 ( 1.701 3.306 0.597) 3.766 3.808 ( 1.526 -0.732 -2.918) 3.373 3.931 ( -9.415 3.081 0.432) 9.916 4.049 ( -4.647 -3.031 -0.610) 5.581 4.128 ( 0.624 1.220 0.358) 1.416 4.186 ( 0.996 -1.232 1.567) 2.228 4.286 ( 5.707 3.325 -0.643) 6.636 4.355 ( 0.022 -0.531 2.251) 2.313 4.485 ( 6.843 -0.391 0.437) 6.868 4.565 ( 3.448 -1.514 -1.265) 3.973 4.688 ( 3.351 0.757 2.043) 3.997 4.774 ( -0.036 3.342 -1.803) 3.798 4.810 ( -0.863 -3.062 1.399) 3.475 4.939 ( 2.541 -2.442 -1.879) 3.994 4.992 ( 2.910 -0.506 1.317) 3.234 5.025 ( 1.663 -1.662 -0.716) 2.457 5.099 ( -2.082 1.613 1.729) 3.150 5.144 ( -0.126 1.158 0.406) 1.234 5.163 ( -0.229 0.395 0.372) 0.589 5.189 ( 1.863 1.104 -0.751) 2.292 5.442 ( 5.795 0.617 -0.245) 5.833 5.468 ( 6.178 0.084 -0.123) 6.180 6.484 ( -1.374 0.194 -0.083) 1.390 6.504 ( -0.515 0.299 -0.268) 0.654 6.581 ( -1.017 0.710 1.368) 1.847 6.671 ( 2.545 -2.324 -1.046) 3.602 6.990 ( -3.703 1.761 -0.344) 4.115 7.055 ( 1.937 -0.055 -0.710) 2.063 7.122 ( -1.659 -0.591 0.197) 1.772 7.146 ( 2.107 -0.675 0.922) 2.397 7.816 ( 1.405 -0.002 0.591) 1.524 7.841 ( -2.812 0.042 -3.205) 4.263 7.989 ( -2.806 -0.237 -1.213) 3.066 8.045 ( 5.589 -1.526 2.046) 6.144 8.363 ( 0.765 1.570 0.449) 1.804 8.417 ( 2.886 -1.380 2.073) 3.812 8.520 ( 4.057 0.465 3.485) 5.368 8.524 ( 3.266 2.138 5.640) 6.859 8.573 ( -1.651 -1.036 -2.719) 3.346 8.646 ( -3.175 -0.115 -3.351) 4.617 8.755 ( -1.503 -1.306 -2.248) 3.003 8.810 ( 0.300 -2.688 -2.458) 3.654 9.252 ( -0.665 2.442 2.663) 3.674 9.361 ( -2.189 3.699 -3.668) 5.651 9.554 ( 0.617 -4.147 3.146) 5.241 9.636 ( -3.223 -3.328 -2.563) 5.294 9.812 ( -5.517 -0.311 -0.574) 5.556 9.854 ( -1.755 -1.670 0.320) 2.444 10.031 ( -3.049 6.192 2.060) 7.203 10.214 ( -1.250 10.137 4.524) 11.171 10.361 ( 3.097 -2.223 -5.664) 6.828 10.669 ( 4.974 -3.521 -10.467) 12.111 11.012 ( 2.487 2.812 4.929) 6.196 11.042 ( 6.996 1.937 1.804) 7.480 11.211 ( -0.089 -1.802 8.909) 9.090 11.287 ( 0.797 -1.589 2.886) 3.390 11.609 ( 4.046 -0.990 -1.657) 4.483 11.657 ( 0.717 -2.150 -5.418) 5.873 ======================= Grid point 86 (43/81) ======================= q-point: (-0.38 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 3.083 1.409 1.004) 3.536 0.874 ( 4.150 1.758 0.935) 4.603 0.916 ( 2.485 0.748 0.207) 2.604 1.004 ( 2.629 2.277 -1.897) 3.962 1.160 ( -0.071 2.030 -1.674) 2.632 1.280 ( -0.191 -0.130 -3.958) 3.965 1.392 ( -1.970 -3.196 -0.608) 3.803 1.434 ( -0.818 -2.283 1.062) 2.648 1.470 ( -3.881 -0.970 0.510) 4.032 1.551 ( -4.654 -1.846 -0.495) 5.031 1.601 ( -3.859 1.586 1.016) 4.294 1.632 ( -1.918 -0.393 2.303) 3.022 1.660 ( -4.512 -0.172 1.602) 4.791 1.671 ( -5.550 -1.679 -1.652) 6.029 1.698 ( -4.303 3.127 0.742) 5.371 1.735 ( -3.101 1.031 1.303) 3.518 1.790 ( -2.481 1.350 0.230) 2.834 1.834 ( -5.195 0.391 2.828) 5.928 1.851 ( -1.331 -3.113 1.873) 3.869 1.872 ( -3.058 -0.456 -0.001) 3.092 1.933 ( -2.475 2.329 -0.487) 3.433 1.991 ( -2.018 -2.446 2.023) 3.761 2.028 ( -1.340 -0.663 0.578) 1.603 2.069 ( -1.296 1.099 -1.434) 2.223 2.101 ( -1.565 0.044 -1.184) 1.963 2.112 ( -3.183 -1.042 0.674) 3.416 2.171 ( -1.263 2.143 -2.601) 3.599 2.199 ( 0.558 0.433 -0.609) 0.933 2.224 ( -2.313 1.763 -0.661) 2.982 2.269 ( -0.800 -0.501 1.017) 1.388 2.346 ( -2.155 -0.689 -0.087) 2.264 2.454 ( -1.493 -2.428 -1.379) 3.166 2.496 ( -2.853 -0.199 -4.156) 5.045 2.571 ( -5.020 -3.165 -2.186) 6.324 2.645 ( -5.896 -1.573 -0.145) 6.104 2.720 ( -6.605 -0.720 2.266) 7.020 2.792 ( -2.931 -3.123 2.137) 4.787 2.849 ( -1.225 -0.752 -0.143) 1.445 2.898 ( -1.622 -0.467 2.218) 2.787 2.949 ( 2.959 1.743 -0.338) 3.451 3.057 ( -0.680 -3.024 0.766) 3.193 3.077 ( 2.923 2.624 -0.362) 3.944 3.113 ( -1.851 -1.873 0.947) 2.798 3.176 ( -1.119 -0.982 -3.733) 4.019 3.221 ( 1.545 1.257 -4.587) 5.001 3.252 ( -1.860 0.951 2.580) 3.320 3.334 ( -3.472 -1.012 -1.974) 4.120 3.422 ( -4.176 -2.391 2.186) 5.285 3.510 ( -6.163 3.790 -1.932) 7.488 3.579 ( -3.385 0.857 0.701) 3.562 3.727 ( -3.578 2.220 3.087) 5.221 3.756 ( -6.901 1.831 3.372) 7.896 3.801 ( -1.653 1.844 -4.707) 5.318 3.980 ( -2.145 -4.483 -0.303) 4.979 4.142 ( 2.196 0.505 -2.225) 3.166 4.218 ( 1.955 -2.127 -0.973) 3.048 4.352 ( -0.639 1.586 5.232) 5.504 4.381 ( 4.406 2.098 1.366) 5.067 4.636 ( 8.255 -1.279 -2.986) 8.871 4.664 ( 6.043 -0.784 -3.766) 7.164 4.761 ( 2.518 -0.340 1.194) 2.807 4.788 ( -0.402 0.798 3.363) 3.480 4.852 ( 5.899 0.885 0.566) 5.992 4.956 ( -1.302 -1.541 -2.401) 3.136 5.039 ( 1.702 3.537 -0.454) 3.952 5.093 ( 4.530 -0.146 2.306) 5.085 5.143 ( 6.631 -2.146 -0.896) 7.027 5.174 ( 6.261 -0.592 0.094) 6.290 5.203 ( 6.289 1.311 0.005) 6.425 5.293 ( 9.398 -1.509 1.325) 9.610 5.619 ( 12.241 0.648 -0.355) 12.263 5.630 ( 10.446 0.436 0.319) 10.460 6.444 ( -1.695 -0.092 -0.742) 1.852 6.492 ( -1.035 -1.587 0.868) 2.084 6.582 ( 0.406 2.884 0.474) 2.951 6.696 ( 1.302 -2.041 -3.528) 4.278 6.933 ( -2.270 1.530 1.968) 3.371 7.047 ( -0.887 -3.333 1.171) 3.642 7.136 ( 1.025 1.958 -1.765) 2.828 7.181 ( 0.754 0.715 0.172) 1.054 7.725 ( -2.726 0.954 -2.613) 3.895 7.832 ( -0.671 -4.237 -0.782) 4.361 8.016 ( 2.277 4.387 4.826) 6.908 8.212 ( 5.494 -4.526 5.088) 8.750 8.356 ( -2.573 1.544 -5.729) 6.467 8.454 ( 2.938 2.232 0.304) 3.702 8.504 ( -1.427 -4.624 -3.940) 6.240 8.594 ( 1.316 -1.968 0.552) 2.431 8.623 ( 3.575 2.660 0.903) 4.547 8.657 ( 4.927 0.815 5.558) 7.472 8.724 ( -0.041 0.083 -1.592) 1.595 8.799 ( -0.016 -3.151 -1.018) 3.312 9.190 ( -5.761 4.848 -0.010) 7.530 9.328 ( -2.402 0.392 1.263) 2.742 9.496 ( -3.843 -0.175 -2.831) 4.776 9.564 ( -6.434 0.923 0.062) 6.500 9.709 ( -3.814 -4.533 2.313) 6.360 9.771 ( -6.727 -3.739 0.093) 7.697 9.977 ( -3.902 7.740 2.293) 8.966 10.242 ( 0.206 4.936 6.619) 8.259 10.377 ( 2.320 1.761 -6.147) 6.802 10.720 ( 7.288 -3.973 -11.497) 14.181 11.090 ( 4.116 2.289 -0.102) 4.711 11.228 ( 8.342 4.847 2.322) 9.923 11.298 ( 5.568 -2.366 6.180) 8.649 11.348 ( 3.503 -0.969 3.080) 4.764 11.661 ( 4.764 -1.450 -4.508) 6.717 11.755 ( 10.643 -3.358 0.360) 11.166 ======================= Grid point 87 (44/81) ======================= q-point: (-0.31 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 1.455 1.447 2.952) 3.595 0.929 ( 0.446 -1.346 2.739) 3.084 0.999 ( 4.713 4.003 0.681) 6.221 1.034 ( 0.191 4.529 -1.421) 4.750 1.148 ( 0.629 0.300 -1.706) 1.843 1.196 ( -4.424 -0.280 -5.404) 6.989 1.328 ( -3.487 -2.387 -1.834) 4.607 1.377 ( -6.195 -1.340 -1.114) 6.435 1.399 ( -4.801 -3.009 1.839) 5.957 1.444 ( -7.667 -2.717 1.989) 8.374 1.525 ( -5.461 2.246 0.496) 5.925 1.548 ( -5.709 1.149 -0.599) 5.854 1.575 ( -3.984 0.963 -0.489) 4.128 1.619 ( -2.355 -1.332 1.559) 3.123 1.642 ( -2.196 2.547 0.951) 3.495 1.673 ( -4.172 1.344 1.051) 4.507 1.736 ( -3.464 0.325 2.483) 4.274 1.745 ( -4.698 -0.337 -2.951) 5.559 1.781 ( -4.016 -1.730 3.374) 5.524 1.832 ( -3.379 -0.749 -1.064) 3.621 1.910 ( -0.910 0.355 1.334) 1.653 1.981 ( -2.246 -1.008 2.591) 3.574 2.003 ( -1.446 -0.707 -0.525) 1.693 2.020 ( -3.057 0.813 1.556) 3.525 2.055 ( -1.598 -0.830 -0.261) 1.819 2.079 ( -0.830 0.128 -2.016) 2.184 2.130 ( -0.476 2.280 -3.497) 4.201 2.155 ( -3.586 0.713 0.120) 3.658 2.206 ( -0.803 0.651 0.681) 1.238 2.270 ( -1.999 2.873 -0.892) 3.612 2.289 ( -2.750 -3.520 0.226) 4.472 2.361 ( -7.831 -1.462 -1.848) 8.178 2.410 ( -4.287 -2.887 -0.295) 5.176 2.470 ( -2.744 -2.106 -4.333) 5.544 2.515 ( -7.939 1.828 0.365) 8.155 2.575 ( -7.558 0.219 3.005) 8.136 2.717 ( -6.588 -3.318 0.593) 7.400 2.768 ( -6.660 0.335 -0.477) 6.685 2.829 ( -5.142 -2.523 1.607) 5.949 2.971 ( -5.547 -6.867 0.308) 8.833 3.025 ( -0.770 0.964 0.352) 1.283 3.068 ( -2.933 2.602 0.087) 3.921 3.131 ( 0.243 0.156 0.614) 0.679 3.168 ( 2.559 0.408 -2.869) 3.866 3.239 ( 0.229 1.462 -2.797) 3.164 3.260 ( -1.007 0.793 1.036) 1.648 3.302 ( -3.452 2.375 2.062) 4.670 3.331 ( -0.451 -0.368 -1.663) 1.762 3.385 ( -5.401 1.509 2.082) 5.982 3.486 ( -6.099 -2.765 -0.599) 6.723 3.648 ( -5.234 0.908 2.637) 5.931 3.670 ( -3.996 0.991 0.438) 4.140 3.779 ( 3.998 3.224 -4.541) 6.856 3.979 ( 2.880 -3.923 0.931) 4.955 4.205 ( 5.188 -0.757 -0.302) 5.251 4.286 ( 6.172 -1.902 0.255) 6.463 4.389 ( 2.146 3.403 3.890) 5.596 4.499 ( 7.622 -0.940 -0.346) 7.688 4.720 ( 1.561 0.892 -2.451) 3.040 4.735 ( 4.262 0.923 -2.695) 5.127 4.780 ( -0.722 -1.135 1.003) 1.678 4.813 ( 1.909 -0.626 2.227) 2.999 4.930 ( 2.352 -0.396 -2.650) 3.565 4.964 ( 5.044 -2.459 1.003) 5.700 5.097 ( 4.152 4.807 -0.909) 6.417 5.197 ( 3.133 0.086 1.600) 3.519 5.248 ( 10.836 1.108 -1.600) 11.009 5.387 ( 10.975 -0.646 0.790) 11.023 5.403 ( 14.455 -2.139 -0.331) 14.616 5.551 ( 16.164 -4.756 1.808) 16.946 5.853 ( 13.236 1.982 0.917) 13.415 5.875 ( 15.190 1.477 -0.717) 15.279 6.418 ( -1.008 -0.363 -0.632) 1.244 6.498 ( 1.192 -2.518 1.611) 3.218 6.585 ( -0.104 3.062 -0.522) 3.108 6.692 ( 1.294 -1.614 -4.355) 4.821 6.920 ( -1.073 0.784 1.082) 1.714 7.038 ( -2.127 -3.760 -0.879) 4.409 7.078 ( -2.812 5.067 -3.267) 6.652 7.228 ( 3.438 -0.649 4.070) 5.367 7.693 ( -0.940 2.027 0.974) 2.438 7.856 ( 1.886 -4.954 2.967) 6.075 8.033 ( -4.109 3.737 2.506) 6.093 8.137 ( -10.238 0.558 -6.121) 11.941 8.290 ( -3.653 -2.156 1.375) 4.459 8.424 ( -4.493 -8.907 -2.869) 10.381 8.586 ( 7.725 1.795 1.747) 8.121 8.626 ( -2.263 2.351 -4.041) 5.194 8.691 ( 6.190 -0.615 -1.292) 6.353 8.733 ( 2.168 -0.574 -0.686) 2.345 8.777 ( 3.554 -0.362 5.093) 6.221 8.818 ( 1.970 -2.482 2.330) 3.933 9.074 ( -6.737 6.197 1.562) 9.286 9.237 ( -6.789 -1.913 -0.025) 7.054 9.401 ( -6.978 2.612 -3.740) 8.337 9.464 ( -0.304 2.850 0.673) 2.944 9.624 ( -7.490 -3.722 -1.170) 8.445 9.678 ( -3.207 -6.389 2.647) 7.623 9.946 ( -1.872 10.028 8.875) 13.521 10.266 ( -2.717 -3.932 5.582) 7.348 10.392 ( 3.894 10.860 -5.356) 12.720 10.792 ( 7.448 -5.460 -10.951) 14.325 11.150 ( 3.120 2.979 -2.376) 4.925 11.340 ( 2.469 0.846 6.379) 6.892 11.395 ( 3.453 4.610 -0.884) 5.827 11.542 ( 13.997 -0.330 0.535) 14.011 11.768 ( 9.044 -0.993 -4.102) 9.980 12.023 ( 17.247 -6.116 2.391) 18.455 ======================= Grid point 88 (45/81) ======================= q-point: (-0.23 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -8.316 1.209 2.512) 8.771 0.908 ( -7.354 0.288 4.933) 8.860 0.996 ( -1.215 2.013 -0.009) 2.351 1.048 ( -2.376 1.209 1.323) 2.976 1.083 ( -3.814 1.351 -0.645) 4.098 1.183 ( 1.977 0.511 -1.864) 2.765 1.220 ( -7.286 0.599 -1.317) 7.428 1.268 ( -6.574 -2.531 1.458) 7.194 1.282 ( -7.635 -0.901 3.175) 8.317 1.305 ( -5.857 -1.967 0.194) 6.182 1.406 ( -6.498 3.031 -0.900) 7.227 1.448 ( -5.071 4.041 -0.502) 6.503 1.482 ( -5.668 0.760 -0.975) 5.802 1.537 ( -7.248 0.252 -2.375) 7.631 1.585 ( -3.303 -1.798 -0.929) 3.873 1.611 ( -3.373 3.119 0.877) 4.677 1.674 ( -2.195 0.122 -0.732) 2.317 1.709 ( -2.098 0.120 3.752) 4.301 1.731 ( -5.357 1.546 2.346) 6.049 1.749 ( -2.883 2.764 0.175) 3.997 1.858 ( -5.789 -0.902 0.391) 5.872 1.897 ( -4.397 -2.175 -5.835) 7.623 1.936 ( -5.134 0.076 -1.878) 5.468 1.962 ( -4.514 1.741 0.790) 4.902 2.040 ( -3.031 0.031 -0.092) 3.033 2.042 ( -3.241 1.240 1.072) 3.633 2.094 ( -1.002 0.216 -2.629) 2.821 2.137 ( -3.766 -1.671 0.134) 4.123 2.139 ( -3.170 -0.864 0.959) 3.423 2.186 ( -3.068 -2.311 0.855) 3.935 2.220 ( -4.486 -3.393 0.354) 5.635 2.265 ( -4.054 -1.167 -1.680) 4.540 2.318 ( -2.822 0.770 3.554) 4.603 2.381 ( -6.267 0.656 -0.869) 6.361 2.442 ( -2.172 -0.435 1.159) 2.500 2.470 ( -5.112 0.128 1.740) 5.402 2.569 ( -8.882 -2.599 -0.242) 9.258 2.630 ( -8.941 0.348 -1.432) 9.062 2.677 ( -10.365 1.663 1.080) 10.553 2.874 ( -4.296 -5.444 -0.242) 6.939 2.921 ( -8.838 1.177 1.107) 8.985 2.967 ( -8.391 -2.806 0.969) 8.900 3.030 ( -12.698 1.814 -0.817) 12.853 3.132 ( -7.528 -0.925 0.132) 7.586 3.167 ( 0.414 0.393 -1.319) 1.437 3.262 ( 4.182 0.131 -2.943) 5.115 3.309 ( 0.232 0.336 1.155) 1.225 3.322 ( 4.360 5.792 -0.616) 7.275 3.419 ( 0.170 -6.537 1.211) 6.651 3.461 ( 8.638 -0.826 -0.975) 8.732 3.627 ( 2.370 2.094 1.387) 3.454 3.662 ( 3.487 0.949 -1.026) 3.756 3.881 ( 8.372 3.642 -3.310) 9.711 4.087 ( 6.818 -2.711 1.460) 7.481 4.326 ( 6.626 -2.052 2.428) 7.350 4.392 ( 0.892 -1.720 3.029) 3.596 4.513 ( 10.266 3.841 0.450) 10.971 4.618 ( 3.150 -1.559 -0.472) 3.546 4.724 ( 5.407 0.168 -5.678) 7.843 4.771 ( 3.802 -0.635 1.690) 4.209 4.838 ( 5.808 -0.307 -2.539) 6.346 4.885 ( 4.010 -0.714 1.816) 4.460 5.012 ( 7.483 -1.050 -2.023) 7.822 5.062 ( 3.961 -3.751 2.457) 5.983 5.177 ( 6.039 3.600 -1.409) 7.170 5.244 ( 2.494 0.844 0.088) 2.634 5.493 ( 14.455 1.148 -2.916) 14.791 5.575 ( 8.246 1.959 1.983) 8.704 5.673 ( 13.588 -3.843 1.097) 14.164 5.847 ( 13.312 -9.135 1.228) 16.192 6.088 ( 9.120 3.853 -0.793) 9.932 6.188 ( 18.372 3.044 0.012) 18.622 6.380 ( -2.429 -0.265 -1.797) 3.033 6.546 ( 1.545 -4.718 0.841) 5.035 6.582 ( 0.406 0.791 0.057) 0.891 6.672 ( -1.772 -2.800 -2.868) 4.382 6.863 ( -1.662 5.153 -2.211) 5.849 6.994 ( 0.132 1.444 -0.647) 1.588 7.081 ( 1.904 3.210 1.261) 3.940 7.332 ( 3.648 -5.314 5.709) 8.611 7.687 ( -0.957 4.905 2.761) 5.709 7.792 ( -15.590 3.483 -8.349) 18.025 7.903 ( -1.057 -4.652 2.017) 5.179 7.978 ( -6.419 -1.817 -0.638) 6.701 8.168 ( -8.033 -1.821 -1.363) 8.349 8.301 ( -8.526 -8.901 0.129) 12.326 8.463 ( -11.712 0.462 -4.373) 12.510 8.651 ( -6.612 -6.410 -1.480) 9.327 8.703 ( 0.824 2.673 0.205) 2.805 8.813 ( 2.348 -1.997 0.156) 3.087 8.852 ( 0.671 -0.851 3.938) 4.084 8.897 ( 4.221 -0.319 0.403) 4.252 8.986 ( -2.514 4.788 1.704) 5.670 9.095 ( -5.905 -0.528 -3.672) 6.973 9.315 ( -0.025 1.531 -1.697) 2.285 9.465 ( -0.657 -1.390 0.908) 1.786 9.516 ( -2.085 1.468 -0.549) 2.609 9.621 ( -3.630 -4.328 1.397) 5.819 10.037 ( 3.037 10.837 17.447) 20.762 10.210 ( -5.046 2.175 3.043) 6.281 10.458 ( 4.577 8.862 -0.848) 10.010 10.853 ( 5.236 -7.061 -9.446) 12.904 11.188 ( 3.118 3.114 -3.151) 5.417 11.411 ( 0.361 -3.595 7.828) 8.622 11.460 ( 5.385 10.043 -2.641) 11.698 11.828 ( 17.901 5.069 -4.188) 19.070 11.929 ( 10.675 0.137 -4.304) 11.511 12.421 ( 23.206 -8.788 3.314) 25.035 ======================= Grid point 89 (46/81) ======================= q-point: (-0.15 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -13.113 2.584 1.250) 13.424 0.744 ( -13.304 4.236 9.539) 16.910 0.912 ( -9.007 -2.733 1.295) 9.501 0.969 ( -6.798 0.504 4.637) 8.245 1.002 ( -7.631 0.320 2.916) 8.175 1.074 ( -7.885 3.223 -0.499) 8.533 1.132 ( -6.825 -4.406 2.202) 8.417 1.141 ( -7.290 1.059 -0.766) 7.407 1.190 ( -1.123 3.777 0.956) 4.055 1.254 ( -3.198 2.523 0.213) 4.079 1.290 ( -4.505 5.357 0.437) 7.013 1.325 ( -6.692 3.468 -1.730) 7.733 1.372 ( -6.557 0.741 0.640) 6.630 1.393 ( -4.944 3.421 -0.027) 6.012 1.526 ( -3.269 -1.600 -0.226) 3.647 1.546 ( -4.510 4.803 2.793) 7.156 1.592 ( -7.145 -2.391 -2.028) 7.802 1.622 ( -5.417 2.149 1.235) 5.958 1.672 ( -3.643 1.148 2.537) 4.585 1.696 ( -3.634 5.696 0.125) 6.757 1.759 ( -4.767 -0.235 -1.239) 4.931 1.786 ( -5.838 -6.853 -0.486) 9.016 1.815 ( -5.122 2.194 -2.182) 5.984 1.860 ( -5.879 2.507 -0.600) 6.420 1.899 ( -10.656 2.574 0.121) 10.963 1.966 ( -5.695 -0.989 -0.956) 5.859 2.013 ( -5.744 -1.446 1.383) 6.082 2.053 ( -9.220 -1.567 -1.406) 9.457 2.061 ( -3.780 2.506 -0.580) 4.572 2.112 ( -2.441 -2.186 1.759) 3.719 2.172 ( -2.930 -1.303 -1.136) 3.402 2.222 ( -4.169 1.990 1.617) 4.895 2.258 ( -6.272 0.262 1.745) 6.515 2.293 ( -2.015 -0.349 1.978) 2.845 2.323 ( -9.260 2.030 -1.892) 9.667 2.380 ( -5.465 -1.285 0.919) 5.689 2.431 ( -3.588 -1.564 -0.871) 4.010 2.469 ( -3.918 -2.618 0.178) 4.715 2.535 ( -6.355 -0.906 -1.729) 6.648 2.731 ( -9.938 -6.728 -1.061) 12.048 2.781 ( -4.034 -1.065 0.141) 4.174 2.861 ( -1.591 -0.883 1.533) 2.379 2.895 ( -1.427 -2.708 -1.853) 3.578 2.983 ( -5.646 -1.971 -0.259) 5.986 3.209 ( 3.696 0.988 -0.738) 3.896 3.319 ( 0.786 1.754 -0.006) 1.922 3.352 ( 6.236 0.171 -1.983) 6.545 3.456 ( 9.253 -2.857 0.038) 9.684 3.469 ( 3.905 -0.441 0.683) 3.989 3.629 ( 7.636 -2.787 -2.041) 8.381 3.740 ( 7.619 3.551 0.228) 8.409 3.782 ( 12.991 1.778 -1.833) 13.239 4.022 ( 7.680 4.109 -1.211) 8.794 4.220 ( 5.614 -0.940 1.732) 5.950 4.344 ( -6.454 0.018 2.456) 6.906 4.411 ( -0.192 -5.412 0.495) 5.438 4.644 ( 5.390 4.468 2.378) 7.393 4.764 ( 11.970 0.520 -3.523) 12.489 4.794 ( 1.625 0.197 -3.956) 4.282 4.894 ( 4.228 -3.485 0.941) 5.559 4.962 ( 9.576 -2.694 0.525) 9.962 5.005 ( 7.998 -2.015 -0.819) 8.288 5.130 ( 5.503 -2.737 0.255) 6.151 5.195 ( 11.792 -2.970 0.021) 12.160 5.304 ( 7.773 2.549 -0.228) 8.184 5.346 ( 10.017 0.776 0.485) 10.058 5.683 ( 6.258 0.708 -3.830) 7.371 5.713 ( 5.316 1.833 1.108) 5.732 5.912 ( 9.882 -2.748 2.724) 10.613 5.989 ( -2.952 -4.039 2.422) 5.558 6.165 ( 4.272 -1.116 -2.642) 5.146 6.322 ( -3.231 -1.868 -0.959) 3.854 6.376 ( -3.987 -0.505 -1.263) 4.213 6.509 ( 3.025 -5.379 -5.752) 8.437 6.637 ( 3.416 -0.211 1.011) 3.569 6.736 ( 7.789 -0.268 3.705) 8.630 6.884 ( 2.569 4.169 -0.642) 4.939 6.970 ( -1.988 2.154 -3.280) 4.399 7.163 ( 5.397 5.899 4.027) 8.952 7.393 ( -2.221 -2.977 -2.748) 4.621 7.461 ( -10.514 -0.294 -4.885) 11.597 7.670 ( -4.019 2.270 -3.861) 6.018 7.748 ( -8.761 -3.772 2.548) 9.873 7.943 ( -2.421 -3.380 1.811) 4.535 7.991 ( -10.962 -1.611 -1.820) 11.229 8.117 ( -8.733 -3.554 0.104) 9.429 8.172 ( -15.107 -2.234 -4.094) 15.811 8.424 ( -16.572 -12.176 -3.401) 20.844 8.634 ( -5.523 1.183 -4.208) 7.044 8.738 ( -10.163 -1.997 -7.301) 12.672 8.816 ( -2.267 1.178 2.156) 3.343 8.891 ( -0.979 -2.101 0.515) 2.374 9.031 ( 2.988 1.751 3.140) 4.675 9.102 ( 4.950 -2.392 -1.901) 5.817 9.344 ( 2.504 1.805 0.347) 3.107 9.475 ( 1.152 -2.966 2.205) 3.871 9.519 ( 1.415 2.980 -0.219) 3.306 9.577 ( -2.613 -2.565 3.727) 5.225 10.093 ( -5.260 12.526 3.410) 14.007 10.321 ( 9.766 7.368 25.505) 28.287 10.543 ( 4.353 5.559 1.410) 7.200 10.865 ( 1.558 -7.070 -7.732) 10.592 11.229 ( 3.017 2.699 -2.614) 4.819 11.458 ( 1.311 -3.453 4.322) 5.685 11.587 ( 9.158 13.807 1.614) 16.646 12.094 ( 11.846 -7.035 -6.221) 15.117 12.180 ( 20.875 22.507 -3.036) 30.847 12.894 ( 24.379 -9.572 1.966) 26.265 ======================= Grid point 90 (47/81) ======================= q-point: (-0.08 0.25 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -12.495 7.789 3.206) 15.069 0.572 ( -11.448 8.252 12.842) 19.080 0.715 ( -11.809 7.716 5.560) 15.163 0.844 ( -6.821 7.554 0.787) 10.209 0.867 ( -6.572 -3.679 9.418) 12.059 0.968 ( -8.771 -1.424 3.741) 9.641 0.997 ( -7.753 -3.816 -0.740) 8.672 1.023 ( -4.636 0.325 1.202) 4.801 1.161 ( -4.397 3.388 3.163) 6.388 1.178 ( -4.760 -0.193 -2.864) 5.558 1.229 ( -0.856 6.179 1.864) 6.511 1.242 ( -6.042 2.367 -1.896) 6.761 1.278 ( -1.977 4.801 4.043) 6.580 1.309 ( -2.790 3.807 2.627) 5.402 1.410 ( -7.027 0.205 3.495) 7.851 1.458 ( -4.260 0.077 1.462) 4.504 1.532 ( -1.547 1.321 1.636) 2.610 1.546 ( -8.562 2.593 1.806) 9.127 1.600 ( -4.588 2.156 1.751) 5.363 1.611 ( -4.386 -1.512 2.189) 5.130 1.636 ( -4.525 3.350 -0.199) 5.634 1.658 ( -3.311 0.421 -0.088) 3.339 1.719 ( -6.378 2.765 -1.550) 7.123 1.737 ( -4.636 -0.203 0.459) 4.663 1.775 ( -3.157 0.891 0.211) 3.287 1.847 ( -4.646 3.070 1.291) 5.717 1.911 ( -5.534 0.052 0.231) 5.539 1.922 ( -3.666 -1.446 0.006) 3.941 1.974 ( -6.579 2.259 -3.714) 7.885 2.027 ( -2.616 3.320 -0.976) 4.338 2.082 ( -2.295 3.188 -0.402) 3.949 2.157 ( -3.977 -0.127 -0.187) 3.984 2.180 ( -2.148 0.408 0.264) 2.202 2.243 ( -2.019 -0.478 -0.679) 2.183 2.292 ( -0.953 0.722 -1.587) 1.987 2.337 ( 1.763 -0.111 -0.160) 1.774 2.367 ( 0.741 -1.337 -1.084) 1.874 2.417 ( -1.851 -2.996 0.393) 3.543 2.469 ( -0.370 -8.593 -1.290) 8.697 2.616 ( 0.119 -11.032 -2.369) 11.284 2.786 ( 2.454 -1.510 -0.027) 2.881 2.851 ( -0.273 -2.770 -0.834) 2.905 2.885 ( 1.394 -0.757 -2.062) 2.602 2.935 ( 0.040 -2.837 -1.679) 3.297 3.274 ( 3.203 2.664 -1.261) 4.353 3.335 ( 0.806 2.561 -0.639) 2.760 3.433 ( 0.984 -1.492 1.952) 2.646 3.548 ( 5.813 -5.579 -2.916) 8.569 3.667 ( 10.391 0.158 -1.385) 10.484 3.714 ( 5.464 -1.926 1.608) 6.012 3.907 ( 9.933 6.737 0.266) 12.005 4.093 ( 19.288 -1.239 -4.551) 19.856 4.136 ( 4.025 3.125 0.881) 5.172 4.227 ( -6.723 1.288 3.281) 7.591 4.255 ( -4.052 0.129 -0.129) 4.056 4.390 ( -0.317 -6.231 -1.757) 6.481 4.712 ( -2.346 0.522 -1.619) 2.898 4.764 ( -0.531 2.588 2.097) 3.373 4.865 ( -4.195 -4.343 -4.213) 7.362 4.929 ( 2.594 -1.208 -1.061) 3.052 5.040 ( 0.181 -2.480 -0.433) 2.524 5.152 ( 7.480 -3.947 -1.319) 8.560 5.308 ( 7.026 0.416 1.882) 7.286 5.413 ( 10.899 -3.371 -0.815) 11.437 5.535 ( 15.372 0.726 -0.364) 15.394 5.546 ( -0.653 2.355 2.588) 3.560 5.679 ( 1.452 -0.434 0.212) 1.530 5.764 ( 5.467 0.275 1.626) 5.711 5.926 ( 0.860 1.171 2.168) 2.609 6.043 ( 0.894 -3.528 -0.308) 3.652 6.141 ( -7.914 -3.520 -5.744) 10.393 6.208 ( -5.169 -1.215 0.559) 5.339 6.263 ( -7.808 1.319 -5.683) 9.747 6.463 ( -3.751 -9.515 -3.241) 10.729 6.692 ( 1.398 -0.798 1.167) 1.988 6.781 ( -4.406 -0.548 2.837) 5.269 6.869 ( -0.448 5.197 -5.119) 7.309 6.977 ( 1.129 0.675 -4.504) 4.692 7.229 ( -3.752 1.830 -5.883) 7.214 7.303 ( -2.356 0.753 -7.061) 7.482 7.333 ( 2.657 -0.699 7.788) 8.258 7.553 ( -6.333 -3.447 -2.227) 7.546 7.640 ( -10.182 2.736 3.649) 11.157 7.775 ( -5.675 0.437 -2.549) 6.237 7.841 ( -10.306 -4.667 -1.884) 11.469 7.918 ( -8.082 -5.470 -2.710) 10.129 8.017 ( -3.778 0.696 0.241) 3.849 8.102 ( -5.466 -1.408 -6.151) 8.349 8.502 ( -6.111 -5.599 -2.603) 8.688 8.544 ( -4.329 -2.143 -6.560) 8.147 8.789 ( -2.074 1.740 4.053) 4.874 8.887 ( -0.753 -3.709 2.059) 4.308 9.062 ( -0.643 -0.631 0.707) 1.145 9.156 ( 2.301 -3.862 -3.182) 5.508 9.396 ( 2.604 2.785 0.415) 3.835 9.509 ( 0.555 -1.387 0.715) 1.656 9.549 ( 0.812 -0.250 1.992) 2.166 9.564 ( -1.888 -1.114 5.365) 5.796 10.042 ( -2.787 16.972 8.050) 18.990 10.626 ( 3.708 2.816 3.833) 6.031 10.637 ( 4.248 -7.218 10.970) 13.802 10.837 ( 0.799 -4.663 -5.500) 7.255 11.275 ( 2.477 1.722 1.124) 3.219 11.507 ( 1.682 -5.189 0.195) 5.458 11.847 ( 13.102 17.013 9.752) 23.584 12.286 ( 9.578 -3.503 3.822) 10.892 12.645 ( 34.707 30.228 -4.282) 46.224 13.286 ( 15.382 -7.497 -1.430) 17.171 ======================= Grid point 91 (48/81) ======================= q-point: ( 0.00 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 3.365 -11.035 5.053) 12.595 0.606 ( 3.365 11.035 5.053) 12.595 0.707 ( -2.998 -7.035 15.032) 16.865 0.707 ( -2.998 7.035 15.032) 16.865 0.821 ( -6.394 -1.892 0.160) 6.670 0.821 ( -6.394 1.892 0.160) 6.670 1.005 ( 3.071 -5.340 -1.096) 6.257 1.005 ( 3.071 5.340 -1.096) 6.257 1.121 ( -0.327 -5.377 2.188) 5.814 1.121 ( -0.327 5.377 2.188) 5.814 1.258 ( -0.378 -3.266 -0.759) 3.375 1.258 ( -0.378 3.266 -0.759) 3.375 1.340 ( -2.373 -1.127 5.682) 6.260 1.340 ( -2.373 1.127 5.682) 6.260 1.396 ( 0.949 -3.979 3.458) 5.357 1.396 ( 0.949 3.979 3.458) 5.357 1.501 ( 2.295 -3.079 2.990) 4.867 1.501 ( 2.295 3.079 2.990) 4.867 1.572 ( -0.353 -4.432 2.281) 4.997 1.572 ( -0.353 4.432 2.281) 4.997 1.616 ( -0.545 -2.972 -1.767) 3.500 1.616 ( -0.545 2.972 -1.767) 3.500 1.736 ( 0.054 -1.759 0.952) 2.001 1.736 ( 0.054 1.759 0.952) 2.001 1.780 ( 2.265 -4.940 -0.390) 5.449 1.780 ( 2.265 4.940 -0.390) 5.449 1.881 ( -1.034 -2.908 -1.346) 3.367 1.881 ( -1.034 2.908 -1.346) 3.367 2.007 ( 1.387 -1.486 -0.802) 2.185 2.007 ( 1.387 1.486 -0.802) 2.185 2.097 ( -2.771 -2.691 2.472) 4.586 2.097 ( -2.771 2.691 2.472) 4.586 2.173 ( -1.488 -4.924 -3.825) 6.410 2.173 ( -1.488 4.924 -3.825) 6.410 2.295 ( 0.820 -3.735 -2.844) 4.766 2.295 ( 0.820 3.735 -2.844) 4.766 2.347 ( -0.196 -1.307 0.040) 1.322 2.347 ( -0.196 1.307 0.040) 1.322 2.408 ( 1.194 -7.845 -2.246) 8.247 2.408 ( 1.194 7.845 -2.246) 8.247 2.806 ( -0.399 -1.511 -0.741) 1.729 2.806 ( -0.399 1.511 -0.741) 1.729 2.912 ( 1.383 -2.050 -3.979) 4.685 2.912 ( 1.383 2.050 -3.979) 4.685 3.355 ( -0.876 -1.847 0.130) 2.048 3.355 ( -0.876 1.847 0.130) 2.048 3.467 ( 1.043 -4.020 -0.676) 4.208 3.467 ( 1.043 4.020 -0.676) 4.208 3.853 ( 2.971 -0.916 5.382) 6.216 3.853 ( 2.971 0.916 5.382) 6.216 4.101 ( -3.962 -3.922 -4.030) 6.879 4.101 ( -3.962 3.922 -4.030) 6.879 4.177 ( -3.000 -0.477 1.107) 3.233 4.177 ( -3.000 0.477 1.107) 3.233 4.308 ( 3.527 -2.161 -2.247) 4.707 4.308 ( 3.527 2.161 -2.247) 4.707 4.667 ( 2.212 -1.455 2.017) 3.329 4.667 ( 2.212 1.455 2.017) 3.329 4.853 ( 0.378 -2.943 -4.519) 5.406 4.853 ( 0.378 2.943 -4.519) 5.406 5.142 ( -1.436 -1.423 1.266) 2.385 5.142 ( -1.436 1.423 1.266) 2.385 5.410 ( -3.181 -0.089 5.603) 6.444 5.410 ( -3.181 0.089 5.603) 6.444 5.614 ( 5.333 -2.498 -1.035) 5.979 5.614 ( 5.333 2.498 -1.035) 5.979 5.776 ( -3.802 -2.085 -2.870) 5.200 5.776 ( -3.802 2.085 -2.870) 5.200 5.937 ( -5.854 -1.269 -1.942) 6.296 5.937 ( -5.854 1.269 -1.942) 6.296 6.070 ( -1.255 -4.747 -5.025) 7.026 6.070 ( -1.255 4.747 -5.025) 7.026 6.325 ( 11.647 -3.640 6.052) 13.621 6.325 ( 11.647 3.640 6.052) 13.621 6.682 ( -4.639 -0.818 -3.288) 5.744 6.682 ( -4.639 0.818 -3.288) 5.744 6.935 ( 2.421 -2.872 -4.914) 6.185 6.935 ( 2.421 2.872 -4.914) 6.185 7.174 ( 0.709 -1.283 -2.099) 2.560 7.174 ( 0.709 1.283 -2.099) 2.560 7.411 ( -4.995 -3.056 0.959) 5.934 7.411 ( -4.995 3.056 0.959) 5.934 7.626 ( 1.409 -3.420 -3.742) 5.262 7.626 ( 1.409 3.420 -3.742) 5.262 7.837 ( 3.685 -4.547 4.080) 7.135 7.837 ( 3.685 4.547 4.080) 7.135 8.020 ( 0.623 -1.917 -3.918) 4.406 8.020 ( 0.623 1.917 -3.918) 4.406 8.381 ( -0.595 -4.224 -8.089) 9.144 8.381 ( -0.595 4.224 -8.089) 9.144 8.826 ( -0.062 -1.781 2.596) 3.149 8.826 ( -0.062 1.781 2.596) 3.149 9.095 ( 0.535 -3.385 1.076) 3.592 9.095 ( 0.535 3.385 1.076) 3.592 9.471 ( -1.043 -1.154 0.317) 1.588 9.471 ( -1.043 1.154 0.317) 1.588 9.546 ( -1.868 -0.581 3.050) 3.623 9.546 ( -1.868 0.581 3.050) 3.623 10.397 ( -1.836 -13.278 7.189) 15.211 10.397 ( -1.836 13.278 7.189) 15.211 10.767 ( 0.863 -4.482 1.003) 4.673 10.767 ( 0.863 4.482 1.003) 4.673 11.363 ( -1.160 -5.868 -3.245) 6.805 11.363 ( -1.160 5.868 -3.245) 6.805 12.354 ( 3.227 -11.914 13.103) 18.002 12.354 ( 3.227 11.914 13.103) 18.002 13.267 ( -0.045 -5.349 -8.755) 10.259 13.267 ( -0.045 5.349 -8.755) 10.259 ======================= Grid point 93 (49/81) ======================= q-point: ( 0.08 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 3.121 -11.142 4.602) 12.453 0.705 ( 3.121 11.142 4.602) 12.453 0.764 ( 1.937 -4.100 9.081) 10.151 0.764 ( 1.937 4.100 9.081) 10.151 0.852 ( 6.227 -4.321 1.796) 7.789 0.852 ( 6.227 4.321 1.796) 7.789 1.085 ( 6.044 -2.558 -3.600) 7.486 1.085 ( 6.044 2.558 -3.600) 7.486 1.190 ( 4.525 -2.042 2.567) 5.589 1.190 ( 4.525 2.042 2.567) 5.589 1.298 ( 5.623 -6.193 0.449) 8.377 1.298 ( 5.623 6.193 0.449) 8.377 1.389 ( 3.322 -2.846 7.626) 8.792 1.389 ( 3.322 2.846 7.626) 8.792 1.470 ( 5.223 -4.653 0.047) 6.995 1.470 ( 5.223 4.653 0.047) 6.995 1.577 ( 1.454 -1.585 4.178) 4.699 1.577 ( 1.454 1.585 4.178) 4.699 1.588 ( 2.117 -5.326 0.175) 5.734 1.588 ( 2.117 5.326 0.175) 5.734 1.649 ( 6.364 -3.403 -4.392) 8.449 1.649 ( 6.364 3.403 -4.392) 8.449 1.813 ( 4.592 -2.344 1.279) 5.312 1.813 ( 4.592 2.344 1.279) 5.312 1.877 ( 7.993 -3.791 0.750) 8.878 1.877 ( 7.993 3.791 0.750) 8.878 1.911 ( 5.219 -2.644 1.611) 6.068 1.911 ( 5.219 2.644 1.611) 6.068 2.052 ( 0.846 -3.213 1.953) 3.854 2.052 ( 0.846 3.213 1.953) 3.854 2.093 ( 3.798 -2.191 -2.047) 4.839 2.093 ( 3.798 2.191 -2.047) 4.839 2.138 ( -1.071 -5.349 -1.653) 5.700 2.138 ( -1.071 5.349 -1.653) 5.700 2.289 ( 2.046 -1.146 -1.718) 2.907 2.289 ( 2.046 1.146 -1.718) 2.907 2.368 ( 1.970 -3.616 -0.887) 4.212 2.368 ( 1.970 3.616 -0.887) 4.212 2.415 ( 2.810 -2.734 -2.831) 4.836 2.415 ( 2.810 2.734 -2.831) 4.836 2.788 ( -0.470 -1.565 -0.580) 1.734 2.788 ( -0.470 1.565 -0.580) 1.734 2.869 ( -1.323 -0.940 -2.325) 2.835 2.869 ( -1.323 0.940 -2.325) 2.835 3.328 ( -1.851 -2.149 -0.302) 2.853 3.328 ( -1.851 2.149 -0.302) 2.853 3.472 ( -0.598 -4.792 -0.586) 4.865 3.472 ( -0.598 4.792 -0.586) 4.865 3.743 ( -11.693 -3.643 2.667) 12.534 3.743 ( -11.693 3.643 2.667) 12.534 3.949 ( -9.196 -0.869 -3.233) 9.786 3.949 ( -9.196 0.869 -3.233) 9.786 4.233 ( 0.902 -2.457 0.753) 2.723 4.233 ( 0.902 2.457 0.753) 2.723 4.276 ( -0.272 -5.713 -0.343) 5.729 4.276 ( -0.272 5.713 -0.343) 5.729 4.761 ( 0.107 -1.601 -0.574) 1.704 4.761 ( 0.107 1.601 -0.574) 1.704 4.860 ( 2.293 -2.228 -0.751) 3.285 4.860 ( 2.293 2.228 -0.751) 3.285 5.051 ( -6.810 -1.955 0.334) 7.093 5.051 ( -6.810 1.955 0.334) 7.093 5.328 ( -9.979 -1.367 0.381) 10.080 5.328 ( -9.979 1.367 0.381) 10.080 5.553 ( -9.955 -3.599 -0.496) 10.597 5.553 ( -9.955 3.599 -0.496) 10.597 5.771 ( 5.388 -2.959 4.025) 7.347 5.771 ( 5.388 2.959 4.025) 7.347 5.934 ( 0.675 -1.786 -0.058) 1.911 5.934 ( 0.675 1.786 -0.058) 1.911 6.044 ( 4.598 -0.866 -2.785) 5.445 6.044 ( 4.598 0.866 -2.785) 5.445 6.396 ( -2.312 -1.158 -4.571) 5.252 6.396 ( -2.312 1.158 -4.571) 5.252 6.704 ( 2.601 -4.293 0.220) 5.024 6.704 ( 2.601 4.293 0.220) 5.024 6.940 ( 3.348 -3.824 -2.044) 5.478 6.940 ( 3.348 3.824 -2.044) 5.478 7.210 ( -1.538 -1.156 -4.811) 5.182 7.210 ( -1.538 1.156 -4.811) 5.182 7.459 ( 12.436 -3.746 3.949) 13.575 7.459 ( 12.436 3.746 3.949) 13.575 7.711 ( 5.826 -0.673 -2.418) 6.344 7.711 ( 5.826 0.673 -2.418) 6.344 7.885 ( 2.900 -3.055 1.332) 4.418 7.885 ( 2.900 3.055 1.332) 4.418 8.071 ( 7.625 -2.365 -3.626) 8.769 8.071 ( 7.625 2.365 -3.626) 8.769 8.366 ( 3.886 -5.250 -6.508) 9.220 8.366 ( 3.886 5.250 -6.508) 9.220 8.861 ( 2.160 -1.667 1.294) 3.019 8.861 ( 2.160 1.667 1.294) 3.019 9.114 ( 0.455 -1.622 0.960) 1.939 9.114 ( 0.455 1.622 0.960) 1.939 9.442 ( -2.198 -3.151 1.595) 4.160 9.442 ( -2.198 3.151 1.595) 4.160 9.516 ( -3.174 -1.334 2.681) 4.364 9.516 ( -3.174 1.334 2.681) 4.364 10.401 ( -2.590 -4.796 7.059) 8.919 10.401 ( -2.590 4.796 7.059) 8.919 10.784 ( 0.852 -5.299 0.535) 5.393 10.784 ( 0.852 5.299 0.535) 5.393 11.307 ( -2.932 -3.689 -1.793) 5.042 11.307 ( -2.932 3.689 -1.793) 5.042 12.383 ( -7.298 -10.522 9.544) 15.971 12.383 ( -7.298 10.522 9.544) 15.971 12.965 ( -24.128 -2.608 -7.480) 25.395 12.965 ( -24.128 2.608 -7.480) 25.395 ======================= Grid point 95 (50/81) ======================= q-point: ( 0.15 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 5.981 -6.197 0.661) 8.638 0.811 ( 5.981 6.197 0.661) 8.638 0.893 ( 5.310 -4.724 9.702) 12.027 0.893 ( 5.310 4.724 9.702) 12.027 0.965 ( 6.195 -3.534 -0.497) 7.149 0.965 ( 6.195 3.534 -0.497) 7.149 1.166 ( 4.761 -3.124 -3.354) 6.609 1.166 ( 4.761 3.124 -3.354) 6.609 1.298 ( 4.271 -1.744 3.801) 5.978 1.298 ( 4.271 1.744 3.801) 5.978 1.402 ( 5.597 -3.130 -0.006) 6.413 1.402 ( 5.597 3.130 -0.006) 6.413 1.497 ( 2.893 -2.865 0.272) 4.081 1.497 ( 2.893 2.865 0.272) 4.081 1.555 ( 4.234 -5.622 -2.885) 7.606 1.555 ( 4.234 5.622 -2.885) 7.606 1.636 ( 2.284 -1.954 4.436) 5.359 1.636 ( 2.284 1.954 4.436) 5.359 1.705 ( 6.822 -2.037 3.133) 7.778 1.705 ( 6.822 2.037 3.133) 7.778 1.740 ( 5.986 -1.308 -4.682) 7.711 1.740 ( 5.986 1.308 -4.682) 7.711 1.882 ( 3.782 -3.689 -0.091) 5.284 1.882 ( 3.782 3.689 -0.091) 5.284 1.987 ( 1.855 -2.448 -0.738) 3.158 1.987 ( 1.855 2.448 -0.738) 3.158 2.033 ( 2.840 -2.160 -2.777) 4.521 2.033 ( 2.840 2.160 -2.777) 4.521 2.075 ( 4.298 -5.927 0.345) 7.329 2.075 ( 4.298 5.927 0.345) 7.329 2.103 ( 4.212 -1.981 3.010) 5.543 2.103 ( 4.212 1.981 3.010) 5.543 2.246 ( 5.762 -1.955 2.760) 6.682 2.246 ( 5.762 1.955 2.760) 6.682 2.379 ( 4.494 -3.332 -0.641) 5.631 2.379 ( 4.494 3.332 -0.641) 5.631 2.432 ( 9.818 -3.245 1.179) 10.408 2.432 ( 9.818 3.245 1.179) 10.408 2.543 ( 12.385 -5.275 -3.363) 13.875 2.543 ( 12.385 5.275 -3.363) 13.875 2.812 ( 3.748 -1.414 -0.024) 4.006 2.812 ( 3.748 1.414 -0.024) 4.006 2.894 ( 5.356 -0.831 -0.691) 5.464 2.894 ( 5.356 0.831 -0.691) 5.464 3.280 ( -3.178 -2.191 -0.283) 3.870 3.280 ( -3.178 2.191 -0.283) 3.870 3.435 ( -3.095 -5.241 0.068) 6.087 3.435 ( -3.095 5.241 0.068) 6.087 3.560 ( -7.472 -1.912 -1.880) 7.939 3.560 ( -7.472 1.912 -1.880) 7.939 3.757 ( -9.511 -1.067 0.146) 9.571 3.757 ( -9.511 1.067 0.146) 9.571 4.118 ( -6.955 -2.566 -1.701) 7.606 4.118 ( -6.955 2.566 -1.701) 7.606 4.363 ( 1.741 -4.403 3.544) 5.914 4.363 ( 1.741 4.403 3.544) 5.914 4.638 ( -8.150 -3.810 -0.756) 9.029 4.638 ( -8.150 3.810 -0.756) 9.029 4.854 ( -3.832 -3.046 -2.403) 5.453 4.854 ( -3.832 3.046 -2.403) 5.453 4.929 ( -8.065 -0.645 1.409) 8.212 4.929 ( -8.065 0.645 1.409) 8.212 5.148 ( -5.349 -0.604 -0.225) 5.388 5.148 ( -5.349 0.604 -0.225) 5.388 5.367 ( -10.266 -0.716 -0.533) 10.305 5.367 ( -10.266 0.716 -0.533) 10.305 5.735 ( -6.589 -4.565 -1.531) 8.161 5.735 ( -6.589 4.565 -1.531) 8.161 5.911 ( -7.625 -7.223 3.547) 11.086 5.911 ( -7.625 7.223 3.547) 11.086 6.161 ( 3.974 -5.569 -1.099) 6.929 6.161 ( 3.974 5.569 -1.099) 6.929 6.411 ( 5.112 -0.299 -2.494) 5.696 6.411 ( 5.112 0.299 -2.494) 5.696 6.683 ( -2.223 -5.578 1.489) 6.186 6.683 ( -2.223 5.578 1.489) 6.186 6.996 ( -0.191 -4.229 -3.448) 5.460 6.996 ( -0.191 4.229 -3.448) 5.460 7.128 ( -0.417 -1.495 1.730) 2.324 7.128 ( -0.417 1.495 1.730) 2.324 7.637 ( 1.520 -4.998 -5.770) 7.783 7.637 ( 1.520 4.998 -5.770) 7.783 7.824 ( 11.491 -2.216 2.890) 12.054 7.824 ( 11.491 2.216 2.890) 12.054 8.026 ( 7.318 -2.087 1.697) 7.797 8.026 ( 7.318 2.087 1.697) 7.797 8.285 ( 17.441 -2.781 -6.749) 18.907 8.285 ( 17.441 2.781 -6.749) 18.907 8.452 ( 7.950 -3.488 0.178) 8.683 8.452 ( 7.950 3.488 0.178) 8.683 8.897 ( 1.115 -1.834 -1.500) 2.619 8.897 ( 1.115 1.834 -1.500) 2.619 9.113 ( -1.109 -2.648 -0.203) 2.878 9.113 ( -1.109 2.648 -0.203) 2.878 9.420 ( -1.584 -5.253 4.069) 6.830 9.420 ( -1.584 5.253 4.069) 6.830 9.464 ( -3.121 -2.689 0.815) 4.199 9.464 ( -3.121 2.689 0.815) 4.199 10.382 ( -4.414 -6.050 8.430) 11.276 10.382 ( -4.414 6.050 8.430) 11.276 10.810 ( 1.764 -7.334 -0.983) 7.607 10.810 ( 1.764 7.334 -0.983) 7.607 11.234 ( -4.129 -2.759 -0.751) 5.023 11.234 ( -4.129 2.759 -0.751) 5.023 12.211 ( -13.706 -2.829 -1.768) 14.107 12.211 ( -13.706 2.829 -1.768) 14.107 12.427 ( -27.043 -7.114 0.162) 27.963 12.427 ( -27.043 7.114 0.162) 27.963 ======================= Grid point 97 (51/81) ======================= q-point: ( 0.23 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 2.725 -0.659 2.061) 3.480 0.906 ( 2.725 0.659 2.061) 3.480 1.040 ( 5.118 -7.205 3.788) 9.615 1.040 ( 5.118 7.205 3.788) 9.615 1.102 ( 8.682 -4.910 -1.232) 10.050 1.102 ( 8.682 4.910 -1.232) 10.050 1.232 ( 3.488 -3.855 -0.304) 5.208 1.232 ( 3.488 3.855 -0.304) 5.208 1.352 ( -0.282 -2.053 1.418) 2.511 1.352 ( -0.282 2.053 1.418) 2.511 1.491 ( 2.825 -2.221 0.294) 3.605 1.491 ( 2.825 2.221 0.294) 3.605 1.560 ( 5.210 -3.557 -1.799) 6.560 1.560 ( 5.210 3.557 -1.799) 6.560 1.608 ( 3.451 -2.357 -1.429) 4.416 1.608 ( 3.451 2.357 -1.429) 4.416 1.681 ( 2.261 -2.265 -0.707) 3.278 1.681 ( 2.261 2.265 -0.707) 3.278 1.761 ( -0.419 -1.540 0.674) 1.733 1.761 ( -0.419 1.540 0.674) 1.733 1.801 ( 3.255 -0.541 -0.386) 3.322 1.801 ( 3.255 0.541 -0.386) 3.322 1.957 ( 1.341 -2.458 -0.384) 2.826 1.957 ( 1.341 2.458 -0.384) 2.826 2.026 ( 4.085 -3.484 0.334) 5.379 2.026 ( 4.085 3.484 0.334) 5.379 2.079 ( 5.470 -1.326 -0.805) 5.686 2.079 ( 5.470 1.326 -0.805) 5.686 2.189 ( 5.318 -1.549 0.314) 5.548 2.189 ( 5.318 1.549 0.314) 5.548 2.236 ( 5.621 -3.645 0.370) 6.710 2.236 ( 5.621 3.645 0.370) 6.710 2.335 ( 4.372 -1.787 2.195) 5.208 2.335 ( 4.372 1.787 2.195) 5.208 2.478 ( 6.587 -1.142 0.034) 6.686 2.478 ( 6.587 1.142 0.034) 6.686 2.610 ( 6.849 -3.191 -1.055) 7.629 2.610 ( 6.849 3.191 -1.055) 7.629 2.757 ( 8.195 -7.380 1.880) 11.187 2.757 ( 8.195 7.380 1.880) 11.187 2.933 ( 9.515 -3.110 -0.422) 10.019 2.933 ( 9.515 3.110 -0.422) 10.019 3.059 ( 10.486 -4.351 0.030) 11.353 3.059 ( 10.486 4.351 0.030) 11.353 3.210 ( -3.447 -1.685 -1.224) 4.027 3.210 ( -3.447 1.685 -1.224) 4.027 3.378 ( -1.960 -2.314 0.216) 3.040 3.378 ( -1.960 2.314 0.216) 3.040 3.467 ( -0.562 -2.877 -2.070) 3.588 3.467 ( -0.562 2.877 -2.070) 3.588 3.623 ( -4.687 -2.457 1.513) 5.504 3.623 ( -4.687 2.457 1.513) 5.504 3.983 ( -6.006 -4.712 -2.141) 7.928 3.983 ( -6.006 4.712 -2.141) 7.928 4.300 ( -8.972 -4.399 3.828) 10.700 4.300 ( -8.972 4.399 3.828) 10.700 4.569 ( -1.251 -2.306 -0.472) 2.666 4.569 ( -1.251 2.306 -0.472) 2.666 4.720 ( -6.434 -4.854 -0.646) 8.085 4.720 ( -6.434 4.854 -0.646) 8.085 4.810 ( -3.856 -0.763 -1.082) 4.077 4.810 ( -3.856 0.763 -1.082) 4.077 5.082 ( -4.093 -1.019 0.486) 4.246 5.082 ( -4.093 1.019 0.486) 4.246 5.211 ( -4.927 -0.342 -1.014) 5.041 5.211 ( -4.927 0.342 -1.014) 5.041 5.565 ( -10.816 -5.278 -2.136) 12.223 5.565 ( -10.816 5.278 -2.136) 12.223 5.712 ( -13.697 -5.640 2.855) 15.085 5.712 ( -13.697 5.640 2.855) 15.085 6.089 ( -10.776 -4.535 -0.170) 11.692 6.089 ( -10.776 4.535 -0.170) 11.692 6.460 ( 0.985 -2.723 0.746) 2.990 6.460 ( 0.985 2.723 0.746) 2.990 6.660 ( -0.293 -6.790 -2.730) 7.324 6.660 ( -0.293 6.790 -2.730) 7.324 6.918 ( -2.940 -2.232 -2.284) 4.341 6.918 ( -2.940 2.232 -2.284) 4.341 7.229 ( 3.670 -2.032 5.211) 6.690 7.229 ( 3.670 2.032 5.211) 6.690 7.663 ( 5.953 -5.329 -1.224) 8.083 7.663 ( 5.953 5.329 -1.224) 8.083 7.956 ( 3.001 -3.564 -2.351) 5.219 7.956 ( 3.001 3.564 -2.351) 5.219 8.210 ( 10.165 -1.426 -0.210) 10.267 8.210 ( 10.165 1.426 -0.210) 10.267 8.480 ( 7.496 -6.713 -3.389) 10.618 8.480 ( 7.496 6.713 -3.389) 10.618 8.684 ( 11.724 -3.775 3.617) 12.837 8.684 ( 11.724 3.775 3.617) 12.837 8.863 ( -4.091 -1.731 -2.166) 4.942 8.863 ( -4.091 1.731 -2.166) 4.942 9.073 ( -1.619 -2.824 -0.077) 3.256 9.073 ( -1.619 2.824 -0.077) 3.256 9.420 ( -0.195 -1.699 -0.788) 1.883 9.420 ( -0.195 1.699 -0.788) 1.883 9.463 ( 3.148 -4.693 3.180) 6.485 9.463 ( 3.148 4.693 3.180) 6.485 10.340 ( -5.511 -9.547 8.706) 14.046 10.340 ( -5.511 9.547 8.706) 14.046 10.821 ( 0.713 -8.540 -4.527) 9.692 10.821 ( 0.713 8.540 -4.527) 9.692 11.147 ( -4.917 -3.573 0.254) 6.084 11.147 ( -4.917 3.573 0.254) 6.084 11.859 ( -16.932 -12.766 -9.275) 23.146 11.859 ( -16.932 12.766 -9.275) 23.146 12.062 ( -16.170 -15.523 6.536) 23.348 12.062 ( -16.170 15.523 6.536) 23.348 ======================= Grid point 99 (52/81) ======================= q-point: ( 0.31 -0.50 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -2.556 -1.297 2.849) 4.041 0.922 ( -2.556 1.297 2.849) 4.041 1.110 ( 0.141 -3.661 0.105) 3.665 1.110 ( 0.141 3.661 0.105) 3.665 1.223 ( 5.134 -3.112 -3.668) 7.035 1.223 ( 5.134 3.112 -3.668) 7.035 1.308 ( 5.104 -3.128 1.407) 6.149 1.308 ( 5.104 3.128 1.407) 6.149 1.329 ( -0.599 -2.971 -1.307) 3.301 1.329 ( -0.599 2.971 -1.307) 3.301 1.553 ( 3.728 -3.156 0.558) 4.916 1.553 ( 3.728 3.156 0.558) 4.916 1.621 ( 3.203 -4.182 -1.238) 5.412 1.621 ( 3.203 4.182 -1.238) 5.412 1.682 ( 3.627 -2.524 1.281) 4.600 1.682 ( 3.627 2.524 1.281) 4.600 1.727 ( 1.370 -3.062 3.515) 4.858 1.727 ( 1.370 3.062 3.515) 4.858 1.790 ( 4.287 -1.806 -1.233) 4.813 1.790 ( 4.287 1.806 -1.233) 4.813 1.868 ( 4.116 -1.287 -0.055) 4.313 1.868 ( 4.116 1.287 -0.055) 4.313 1.970 ( 0.840 -2.972 0.021) 3.089 1.970 ( 0.840 2.972 0.021) 3.089 2.095 ( 3.769 -1.621 -0.397) 4.122 2.095 ( 3.769 1.621 -0.397) 4.122 2.184 ( 3.486 -1.440 0.109) 3.773 2.184 ( 3.486 1.440 0.109) 3.773 2.254 ( 1.956 -1.516 -0.061) 2.475 2.254 ( 1.956 1.516 -0.061) 2.475 2.297 ( 3.572 -1.115 -1.720) 4.118 2.297 ( 3.572 1.115 -1.720) 4.118 2.410 ( 2.090 -0.396 -0.713) 2.243 2.410 ( 2.090 0.396 -0.713) 2.243 2.607 ( 5.202 -1.225 1.521) 5.557 2.607 ( 5.202 1.225 1.521) 5.557 2.730 ( 8.071 -2.870 -1.188) 8.648 2.730 ( 8.071 2.870 -1.188) 8.648 2.867 ( 3.959 -4.277 1.582) 6.039 2.867 ( 3.959 4.277 1.582) 6.039 3.065 ( 1.272 -2.537 1.218) 3.089 3.065 ( 1.272 2.537 1.218) 3.089 3.150 ( 1.162 -1.971 -1.076) 2.528 3.150 ( 1.162 1.971 -1.076) 2.528 3.194 ( 1.724 -3.004 -1.383) 3.730 3.194 ( 1.724 3.004 -1.383) 3.730 3.376 ( 1.327 -1.149 0.256) 1.774 3.376 ( 1.327 1.149 0.256) 1.774 3.529 ( 6.726 -2.142 -1.752) 7.273 3.529 ( 6.726 2.142 -1.752) 7.273 3.625 ( 2.895 -2.258 2.606) 4.503 3.625 ( 2.895 2.258 2.606) 4.503 3.894 ( -0.611 -5.047 -2.117) 5.507 3.894 ( -0.611 5.047 -2.117) 5.507 4.175 ( -5.091 -3.616 1.134) 6.347 4.175 ( -5.091 3.616 1.134) 6.347 4.472 ( -8.214 -5.069 2.514) 9.974 4.472 ( -8.214 5.069 2.514) 9.974 4.661 ( -1.159 -2.019 -2.346) 3.305 4.661 ( -1.159 2.019 -2.346) 3.305 4.785 ( 1.156 -1.556 0.321) 1.965 4.785 ( 1.156 1.556 0.321) 1.965 4.999 ( -3.745 -1.750 -0.889) 4.228 4.999 ( -3.745 1.750 -0.889) 4.228 5.151 ( -2.854 -1.851 0.458) 3.433 5.151 ( -2.854 1.851 0.458) 3.433 5.323 ( -12.306 -3.200 -2.328) 12.927 5.323 ( -12.306 3.200 -2.328) 12.927 5.464 ( -14.465 -4.088 2.467) 15.233 5.464 ( -14.465 4.088 2.467) 15.233 5.842 ( -13.770 -2.202 0.378) 13.950 5.842 ( -13.770 2.202 0.378) 13.950 6.477 ( 0.412 -1.535 1.799) 2.401 6.477 ( 0.412 1.535 1.799) 2.401 6.631 ( -0.962 -5.568 -4.331) 7.120 6.631 ( -0.962 5.568 -4.331) 7.120 6.899 ( 1.852 -2.839 0.898) 3.506 6.899 ( 1.852 2.839 0.898) 3.506 7.243 ( -2.888 -3.890 -0.234) 4.850 7.243 ( -2.888 3.890 -0.234) 4.850 7.823 ( 6.513 -1.841 4.516) 8.136 7.823 ( 6.513 1.841 4.516) 8.136 7.973 ( 1.908 -0.398 -1.800) 2.653 7.973 ( 1.908 0.398 -1.800) 2.653 8.337 ( 5.041 -2.705 -4.290) 7.150 8.337 ( 5.041 2.705 -4.290) 7.150 8.565 ( 1.355 -5.407 2.277) 6.021 8.565 ( 1.355 5.407 2.277) 6.021 8.708 ( -7.819 -0.667 -1.682) 8.026 8.708 ( -7.819 0.667 -1.682) 8.026 8.836 ( 1.302 -2.035 1.736) 2.975 8.836 ( 1.302 2.035 1.736) 2.975 9.111 ( 5.069 -4.084 0.495) 6.528 9.111 ( 5.069 4.084 0.495) 6.528 9.451 ( 4.120 -2.534 -0.390) 4.853 9.451 ( 4.120 2.534 -0.390) 4.853 9.576 ( 7.074 -2.075 0.928) 7.430 9.576 ( 7.074 2.075 0.928) 7.430 10.286 ( -5.330 -9.201 7.512) 13.019 10.286 ( -5.330 9.201 7.512) 13.019 10.765 ( -1.835 -8.889 -10.953) 14.224 10.765 ( -1.835 8.889 -10.953) 14.224 11.064 ( -5.132 -6.252 3.925) 8.991 11.064 ( -5.132 6.252 3.925) 8.991 11.544 ( -12.993 -10.662 -2.716) 17.026 11.544 ( -12.993 10.662 -2.716) 17.026 11.847 ( -9.697 -8.457 1.817) 12.994 11.847 ( -9.697 8.457 1.817) 12.994 ======================= Grid point 101 (53/81) ======================= q-point: ( 0.38 -0.50 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -3.542 -0.734 1.716) 4.003 0.870 ( -3.542 0.734 1.716) 4.003 1.051 ( -5.065 -1.584 -0.891) 5.381 1.051 ( -5.065 1.584 -0.891) 5.381 1.253 ( 2.004 -2.118 -4.232) 5.139 1.253 ( 2.004 2.118 -4.232) 5.139 1.332 ( 0.163 -2.135 1.443) 2.582 1.332 ( 0.163 2.135 1.443) 2.582 1.451 ( 8.381 -2.522 0.209) 8.754 1.451 ( 8.381 2.522 0.209) 8.754 1.628 ( 3.900 -2.800 0.271) 4.809 1.628 ( 3.900 2.800 0.271) 4.809 1.681 ( 3.013 -1.514 1.447) 3.669 1.681 ( 3.013 1.514 1.447) 3.669 1.718 ( 0.473 -0.406 0.922) 1.113 1.718 ( 0.473 0.406 0.922) 1.113 1.803 ( 3.267 -2.145 2.603) 4.696 1.803 ( 3.267 2.145 2.603) 4.696 1.860 ( 3.282 -0.547 -0.155) 3.330 1.860 ( 3.282 0.547 -0.155) 3.330 1.955 ( 4.610 -1.162 -0.817) 4.824 1.955 ( 4.610 1.162 -0.817) 4.824 1.998 ( 2.298 -2.812 0.070) 3.633 1.998 ( 2.298 2.812 0.070) 3.633 2.150 ( 2.096 -1.798 -1.318) 3.059 2.150 ( 2.096 1.798 -1.318) 3.059 2.177 ( -1.780 -1.676 -1.411) 2.823 2.177 ( -1.780 1.676 -1.411) 2.823 2.276 ( -0.248 -0.400 -0.578) 0.745 2.276 ( -0.248 0.400 -0.578) 0.745 2.391 ( 5.918 -6.652 2.422) 9.227 2.391 ( 5.918 6.652 2.422) 9.227 2.448 ( 4.242 -0.718 -2.941) 5.212 2.448 ( 4.242 0.718 -2.941) 5.212 2.673 ( 1.262 -1.752 1.427) 2.589 2.673 ( 1.262 1.752 1.427) 2.589 2.825 ( 0.814 -3.463 -0.725) 3.630 2.825 ( 0.814 3.463 -0.725) 3.630 2.947 ( 2.753 -1.530 1.852) 3.654 2.947 ( 2.753 1.530 1.852) 3.654 3.071 ( -0.230 -2.571 0.611) 2.653 3.071 ( -0.230 2.571 0.611) 2.653 3.159 ( -1.428 -2.660 -3.633) 4.724 3.159 ( -1.428 2.660 -3.633) 4.724 3.203 ( 5.499 -2.754 0.138) 6.151 3.203 ( 5.499 2.754 0.138) 6.151 3.424 ( 2.976 -3.300 -0.384) 4.460 3.424 ( 2.976 3.300 -0.384) 4.460 3.605 ( 0.473 -3.211 -0.963) 3.385 3.605 ( 0.473 3.211 -0.963) 3.385 3.697 ( 4.174 -1.496 1.978) 4.855 3.697 ( 4.174 1.496 1.978) 4.855 3.961 ( 6.361 -2.911 -1.048) 7.074 3.961 ( 6.361 2.911 -1.048) 7.074 4.139 ( 1.613 -2.453 -1.220) 3.180 4.139 ( 1.613 2.453 -1.220) 3.180 4.339 ( -8.075 -4.677 4.082) 10.185 4.339 ( -8.075 4.677 4.082) 10.185 4.608 ( -3.154 -1.820 -2.962) 4.694 4.608 ( -3.154 1.820 -2.962) 4.694 4.794 ( -2.521 -1.891 1.924) 3.692 4.794 ( -2.521 1.891 1.924) 3.692 4.956 ( 0.252 -2.889 -2.853) 4.068 4.956 ( 0.252 2.889 -2.853) 4.068 5.074 ( -5.500 -3.297 1.881) 6.683 5.074 ( -5.500 3.297 1.881) 6.683 5.126 ( -8.105 -2.291 0.013) 8.423 5.126 ( -8.105 2.291 0.013) 8.423 5.253 ( -6.718 -1.619 0.413) 6.923 5.253 ( -6.718 1.619 0.413) 6.923 5.614 ( -10.694 -0.800 0.159) 10.725 5.614 ( -10.694 0.800 0.159) 10.725 6.498 ( 0.596 -1.356 0.879) 1.723 6.498 ( 0.596 1.356 0.879) 1.723 6.589 ( -0.390 -3.537 -2.145) 4.155 6.589 ( -0.390 3.537 -2.145) 4.155 6.979 ( 4.636 -2.811 1.347) 5.586 6.979 ( 4.636 2.811 1.347) 5.586 7.170 ( -3.534 -2.879 -0.533) 4.589 7.170 ( -3.534 2.879 -0.533) 4.589 7.839 ( -2.323 -5.168 -4.121) 7.006 7.839 ( -2.323 5.168 -4.121) 7.006 8.073 ( 3.680 -5.688 8.292) 10.708 8.073 ( 3.680 5.688 8.292) 10.708 8.357 ( 0.043 -3.233 -5.404) 6.297 8.357 ( 0.043 3.233 -5.404) 6.297 8.511 ( -5.249 -1.900 0.868) 5.649 8.511 ( -5.249 1.900 0.868) 5.649 8.631 ( -0.771 -1.778 1.266) 2.315 8.631 ( -0.771 1.778 1.266) 2.315 8.837 ( -0.631 -0.825 -1.190) 1.580 8.837 ( -0.631 0.825 -1.190) 1.580 9.209 ( 4.261 -5.053 1.235) 6.725 9.209 ( 4.261 5.053 1.235) 6.725 9.546 ( 4.885 -3.791 0.261) 6.189 9.546 ( 4.885 3.791 0.261) 6.189 9.720 ( 7.643 -0.894 -0.432) 7.707 9.720 ( 7.643 0.894 -0.432) 7.707 10.235 ( -4.504 -7.249 6.044) 10.457 10.235 ( -4.504 7.249 6.044) 10.457 10.642 ( -2.517 -9.559 -13.461) 16.700 10.642 ( -2.517 9.559 -13.461) 16.700 11.005 ( -4.373 -7.308 6.291) 10.588 11.005 ( -4.373 7.308 6.291) 10.588 11.332 ( -9.501 -7.799 1.949) 12.446 11.332 ( -9.501 7.799 1.949) 12.446 11.716 ( -4.908 -4.228 -1.271) 6.602 11.716 ( -4.908 4.228 -1.271) 6.602 ======================= Grid point 103 (54/81) ======================= q-point: ( 0.46 -0.50 -0.75) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.753 -0.861 0.940) 2.167 0.829 ( -1.753 0.861 0.940) 2.167 0.956 ( -3.017 -1.685 -2.645) 4.351 0.956 ( -3.017 1.685 -2.645) 4.351 1.266 ( 0.963 -0.611 -1.020) 1.530 1.266 ( 0.963 0.611 -1.020) 1.530 1.342 ( -0.004 -1.433 1.987) 2.450 1.342 ( -0.004 1.433 1.987) 2.450 1.570 ( 3.420 -1.778 -0.593) 3.900 1.570 ( 3.420 1.778 -0.593) 3.900 1.690 ( 1.885 -2.188 -0.597) 2.949 1.690 ( 1.885 2.188 -0.597) 2.949 1.730 ( 1.561 -2.284 0.708) 2.856 1.730 ( 1.561 2.284 0.708) 2.856 1.741 ( 0.938 -1.474 2.631) 3.158 1.741 ( 0.938 1.474 2.631) 3.158 1.851 ( 1.041 -0.929 -0.403) 1.453 1.851 ( 1.041 0.929 -0.403) 1.453 1.911 ( 1.661 -1.697 1.621) 2.875 1.911 ( 1.661 1.697 1.621) 2.875 1.992 ( 0.327 -0.569 -1.627) 1.754 1.992 ( 0.327 0.569 -1.627) 1.754 2.048 ( 1.890 -2.087 0.493) 2.859 2.048 ( 1.890 2.087 0.493) 2.859 2.117 ( -1.673 -1.858 -1.686) 3.016 2.117 ( -1.673 1.858 -1.686) 3.016 2.180 ( 1.043 -0.528 -0.904) 1.478 2.180 ( 1.043 0.528 -0.904) 1.478 2.281 ( 1.289 -0.263 -0.421) 1.381 2.281 ( 1.289 0.263 -0.421) 1.381 2.452 ( 0.016 -4.928 0.722) 4.981 2.452 ( 0.016 4.928 0.722) 4.981 2.576 ( 8.613 -3.377 -0.419) 9.261 2.576 ( 8.613 3.377 -0.419) 9.261 2.678 ( -0.546 -3.002 0.569) 3.103 2.678 ( -0.546 3.002 0.569) 3.103 2.786 ( -4.260 -3.667 1.567) 5.835 2.786 ( -4.260 3.667 1.567) 5.835 2.939 ( -1.409 -4.366 -2.542) 5.245 2.939 ( -1.409 4.366 -2.542) 5.245 3.065 ( -1.504 -2.292 0.822) 2.862 3.065 ( -1.504 2.292 0.822) 2.862 3.163 ( 2.981 -5.188 -0.776) 6.033 3.163 ( 2.981 5.188 -0.776) 6.033 3.313 ( 1.825 -4.443 1.258) 4.965 3.313 ( 1.825 4.443 1.258) 4.965 3.443 ( 1.017 -3.826 -2.961) 4.944 3.443 ( 1.017 3.826 -2.961) 4.944 3.617 ( 1.893 -1.910 0.050) 2.689 3.617 ( 1.893 1.910 0.050) 2.689 3.757 ( 1.893 -0.996 -1.429) 2.572 3.757 ( 1.893 0.996 -1.429) 2.572 4.052 ( 2.674 -0.619 0.285) 2.759 4.052 ( 2.674 0.619 0.285) 2.759 4.187 ( -2.114 -3.170 1.955) 4.283 4.187 ( -2.114 3.170 1.955) 4.283 4.234 ( 0.758 -1.991 0.097) 2.133 4.234 ( 0.758 1.991 0.097) 2.133 4.523 ( -3.702 -1.343 -0.686) 3.998 4.523 ( -3.702 1.343 -0.686) 3.998 4.738 ( -3.233 -3.477 2.163) 5.217 4.738 ( -3.233 3.477 2.163) 5.217 4.905 ( -3.001 -3.444 -3.668) 5.858 4.905 ( -3.001 3.444 -3.668) 5.858 4.984 ( -2.670 -2.479 1.122) 3.813 4.984 ( -2.670 2.479 1.122) 3.813 5.114 ( 2.979 -1.357 2.202) 3.945 5.114 ( 2.979 1.357 2.202) 3.945 5.195 ( -1.200 -0.903 -0.559) 1.602 5.195 ( -1.200 0.903 -0.559) 1.602 5.456 ( -5.267 -0.208 -0.357) 5.283 5.456 ( -5.267 0.208 -0.357) 5.283 6.506 ( 0.137 -1.519 0.106) 1.529 6.506 ( 0.137 1.519 0.106) 1.529 6.595 ( 1.035 -1.948 -0.056) 2.207 6.595 ( 1.035 1.948 -0.056) 2.207 7.038 ( 1.327 -1.271 -0.432) 1.888 7.038 ( 1.327 1.271 -0.432) 1.888 7.131 ( -1.189 -1.226 0.568) 1.800 7.131 ( -1.189 1.226 0.568) 1.800 7.794 ( 0.967 -3.799 -1.394) 4.161 7.794 ( 0.967 3.799 -1.394) 4.161 8.092 ( -5.445 -2.812 0.415) 6.143 8.092 ( -5.445 2.812 0.415) 6.143 8.336 ( 1.801 -3.261 1.086) 3.880 8.336 ( 1.801 3.261 1.086) 3.880 8.483 ( 0.411 -0.864 2.260) 2.454 8.483 ( 0.411 0.864 2.260) 2.454 8.628 ( -0.461 -2.962 -0.093) 2.999 8.628 ( -0.461 2.962 -0.093) 2.999 8.805 ( -1.137 -0.608 -3.783) 3.997 8.805 ( -1.137 0.608 -3.783) 3.997 9.286 ( 2.656 -5.494 3.104) 6.846 9.286 ( 2.656 5.494 3.104) 6.846 9.597 ( 0.777 -5.112 -2.185) 5.614 9.597 ( 0.777 5.112 -2.185) 5.614 9.831 ( 3.682 -0.621 -0.324) 3.748 9.831 ( 3.682 0.621 -0.324) 3.748 10.194 ( -3.310 -6.368 4.935) 8.710 10.194 ( -3.310 6.368 4.935) 8.710 10.542 ( 0.319 -10.387 -11.150) 15.242 10.542 ( 0.319 10.387 -11.150) 15.242 10.988 ( -0.778 -4.647 5.596) 7.316 10.988 ( -0.778 4.647 5.596) 7.316 11.222 ( -4.413 -4.919 5.244) 8.436 11.222 ( -4.413 4.919 5.244) 8.436 11.639 ( -1.783 -3.152 -3.632) 5.129 11.639 ( -1.783 3.152 -3.632) 5.129 ======================= Grid point 105 (55/81) ======================= q-point: (-0.46 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.099 -2.561 1.130) 2.801 0.815 ( -0.099 2.561 1.130) 2.801 0.931 ( 2.166 -3.461 -2.823) 4.964 0.931 ( 2.166 3.461 -2.823) 4.964 1.268 ( -0.283 -2.719 -1.077) 2.938 1.268 ( -0.283 2.719 -1.077) 2.938 1.363 ( 0.885 -1.592 1.911) 2.640 1.363 ( 0.885 1.592 1.911) 2.640 1.568 ( -2.640 -2.947 -0.696) 4.017 1.568 ( -2.640 2.947 -0.696) 4.017 1.685 ( -1.408 -2.700 -0.082) 3.046 1.685 ( -1.408 2.700 -0.082) 3.046 1.709 ( -4.031 -1.349 0.892) 4.343 1.709 ( -4.031 1.349 0.892) 4.343 1.777 ( 0.038 -3.004 2.485) 3.898 1.777 ( 0.038 3.004 2.485) 3.898 1.842 ( -1.979 -0.866 -0.462) 2.209 1.842 ( -1.979 0.866 -0.462) 2.209 1.923 ( -1.547 -1.590 0.663) 2.315 1.923 ( -1.547 1.590 0.663) 2.315 1.968 ( -1.205 -2.711 -0.118) 2.970 1.968 ( -1.205 2.711 -0.118) 2.970 2.073 ( -0.137 -3.000 0.947) 3.149 2.073 ( -0.137 3.000 0.947) 3.149 2.106 ( 1.516 -2.865 -2.319) 3.985 2.106 ( 1.516 2.865 -2.319) 3.985 2.197 ( 1.682 -1.876 -1.350) 2.859 2.197 ( 1.682 1.876 -1.350) 2.859 2.281 ( -1.425 -1.855 -0.394) 2.372 2.281 ( -1.425 1.855 -0.394) 2.372 2.415 ( -3.400 -3.352 -0.001) 4.775 2.415 ( -3.400 3.352 -0.001) 4.775 2.645 ( -3.897 -3.380 -0.356) 5.171 2.645 ( -3.897 3.380 -0.356) 5.171 2.699 ( -0.577 -2.049 0.322) 2.153 2.699 ( -0.577 2.049 0.322) 2.153 2.754 ( 4.308 -3.444 2.708) 6.145 2.754 ( 4.308 3.444 2.708) 6.145 2.919 ( 1.448 -5.003 -3.618) 6.341 2.919 ( 1.448 5.003 -3.618) 6.341 3.051 ( -0.895 -4.176 2.284) 4.843 3.051 ( -0.895 4.176 2.284) 4.843 3.171 ( -2.340 -3.357 -2.491) 4.791 3.171 ( -2.340 3.357 -2.491) 4.791 3.292 ( -1.558 -4.343 2.028) 5.040 3.292 ( -1.558 4.343 2.028) 5.040 3.422 ( -2.957 -3.293 -2.628) 5.147 3.422 ( -2.957 3.293 -2.628) 5.147 3.633 ( -1.135 -1.073 -0.501) 1.640 3.633 ( -1.135 1.073 -0.501) 1.640 3.780 ( 1.714 -2.489 -1.171) 3.241 3.780 ( 1.714 2.489 -1.171) 3.241 3.992 ( -7.747 -2.838 0.348) 8.258 3.992 ( -7.747 2.838 0.348) 8.258 4.158 ( 0.637 -1.587 1.053) 2.009 4.158 ( 0.637 1.587 1.053) 2.009 4.333 ( 3.607 -1.603 1.776) 4.328 4.333 ( 3.607 1.603 1.776) 4.328 4.513 ( 5.081 -2.783 -1.859) 6.084 4.513 ( 5.081 2.783 -1.859) 6.084 4.734 ( 0.583 -3.357 3.116) 4.617 4.734 ( 0.583 3.357 3.116) 4.617 4.863 ( 1.590 -4.549 -3.359) 5.874 4.863 ( 1.590 4.549 -3.359) 5.874 4.997 ( 3.234 -0.990 0.433) 3.410 4.997 ( 3.234 0.990 0.433) 3.410 5.133 ( -2.519 -1.618 2.132) 3.676 5.133 ( -2.519 1.618 2.132) 3.676 5.190 ( 1.244 -1.059 -0.695) 1.775 5.190 ( 1.244 1.059 -0.695) 1.775 5.460 ( 5.962 -0.864 -0.363) 6.035 5.460 ( 5.962 0.864 -0.363) 6.035 6.496 ( -1.602 -0.808 0.082) 1.796 6.496 ( -1.602 0.808 0.082) 1.796 6.617 ( 1.465 -2.652 -0.041) 3.030 6.617 ( 1.465 2.652 -0.041) 3.030 7.032 ( -2.577 -2.072 -0.378) 3.329 7.032 ( -2.577 2.072 -0.378) 3.329 7.127 ( 1.919 -0.993 0.512) 2.221 7.127 ( 1.919 0.993 0.512) 2.221 7.828 ( -0.508 -1.026 -2.160) 2.444 7.828 ( -0.508 1.026 -2.160) 2.444 8.006 ( 0.882 -1.868 1.587) 2.605 8.006 ( 0.882 1.868 1.587) 2.605 8.395 ( 2.620 -1.228 0.340) 2.913 8.395 ( 2.620 1.228 0.340) 2.913 8.527 ( 1.451 -0.800 3.360) 3.746 8.527 ( 1.451 0.800 3.360) 3.746 8.608 ( -0.917 -3.147 0.029) 3.278 8.608 ( -0.917 3.147 0.029) 3.278 8.761 ( -0.437 -1.742 -4.393) 4.746 8.761 ( -0.437 1.742 -4.393) 4.746 9.333 ( -0.530 -4.756 3.630) 6.007 9.333 ( -0.530 4.756 3.630) 6.007 9.562 ( -1.813 -3.671 -3.121) 5.148 9.562 ( -1.813 3.671 -3.121) 5.148 9.826 ( -4.017 -1.224 -0.206) 4.205 9.826 ( -4.017 1.224 -0.206) 4.205 10.171 ( -2.415 -7.264 4.382) 8.820 10.171 ( -2.415 7.264 4.382) 8.820 10.524 ( 4.035 -10.708 -9.163) 14.659 10.524 ( 4.035 10.708 -9.163) 14.659 11.056 ( 5.276 -1.096 3.039) 6.187 11.056 ( 5.276 1.096 3.039) 6.187 11.228 ( 0.631 -3.420 7.092) 7.899 11.228 ( 0.631 3.420 7.092) 7.899 11.613 ( 1.980 -1.602 -4.329) 5.023 11.613 ( 1.980 1.602 -4.329) 5.023 ======================= Grid point 107 (56/81) ======================= q-point: (-0.38 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 2.313 -2.369 2.249) 4.003 0.848 ( 2.313 2.369 2.249) 4.003 0.990 ( 5.253 -3.632 -1.878) 6.657 0.990 ( 5.253 3.632 -1.878) 6.657 1.235 ( -1.984 -4.599 -3.231) 5.960 1.235 ( -1.984 4.599 -3.231) 5.960 1.380 ( -0.644 -1.893 0.675) 2.111 1.380 ( -0.644 1.893 0.675) 2.111 1.490 ( -4.885 -3.064 0.166) 5.769 1.490 ( -4.885 3.064 0.166) 5.769 1.625 ( -4.247 -1.634 0.165) 4.553 1.625 ( -4.247 1.634 0.165) 4.553 1.653 ( -2.943 -1.427 1.416) 3.564 1.653 ( -2.943 1.427 1.416) 3.564 1.760 ( -3.460 -1.729 3.033) 4.916 1.760 ( -3.460 1.729 3.033) 4.916 1.783 ( -3.115 -0.481 -0.286) 3.164 1.783 ( -3.115 0.481 -0.286) 3.164 1.857 ( -5.198 -1.301 -0.229) 5.364 1.857 ( -5.198 1.301 -0.229) 5.364 1.957 ( -0.986 -0.993 1.952) 2.402 1.957 ( -0.986 0.993 1.952) 2.402 2.055 ( -1.999 -2.897 0.760) 3.600 2.055 ( -1.999 2.897 0.760) 3.600 2.100 ( -0.964 -0.604 -2.158) 2.440 2.100 ( -0.964 0.604 -2.158) 2.440 2.205 ( -0.350 -0.745 -3.126) 3.233 2.205 ( -0.350 0.745 -3.126) 3.233 2.263 ( -0.091 -0.892 0.289) 0.942 2.263 ( -0.091 0.892 0.289) 0.942 2.357 ( -2.177 -2.677 0.325) 3.466 2.357 ( -2.177 2.677 0.325) 3.466 2.528 ( -6.171 -0.735 -2.780) 6.808 2.528 ( -6.171 0.735 -2.780) 6.808 2.657 ( -5.036 -3.657 2.524) 6.716 2.657 ( -5.036 3.657 2.524) 6.716 2.802 ( -1.820 -2.906 0.125) 3.431 2.802 ( -1.820 2.906 0.125) 3.431 2.947 ( -1.911 -4.459 1.432) 5.058 2.947 ( -1.911 4.459 1.432) 5.058 3.029 ( 1.048 -4.486 -0.379) 4.622 3.029 ( 1.048 4.486 -0.379) 4.622 3.131 ( 0.666 -2.280 -1.390) 2.752 3.131 ( 0.666 2.280 -1.390) 2.752 3.279 ( 0.173 -2.669 -3.482) 4.391 3.279 ( 0.173 2.669 -3.482) 4.391 3.349 ( -3.270 -4.339 2.022) 5.797 3.349 ( -3.270 4.339 2.022) 5.797 3.569 ( -5.260 -1.921 -0.519) 5.624 3.569 ( -5.260 1.921 -0.519) 5.624 3.763 ( -4.938 -0.995 2.370) 5.567 3.763 ( -4.938 0.995 2.370) 5.567 3.879 ( -2.493 -5.098 -1.954) 6.001 3.879 ( -2.493 5.098 -1.954) 6.001 4.173 ( 1.442 -2.184 -1.242) 2.897 4.173 ( 1.442 2.184 -1.242) 2.897 4.385 ( 1.386 -1.350 4.612) 5.002 4.385 ( 1.386 1.350 4.612) 5.002 4.640 ( 8.139 -1.266 -4.868) 9.568 4.640 ( 8.139 1.266 -4.868) 9.568 4.772 ( 1.316 -1.276 3.406) 3.868 4.772 ( 1.316 1.276 3.406) 3.868 4.905 ( 2.380 -3.329 -2.249) 4.670 4.905 ( 2.380 3.329 -2.249) 4.670 5.091 ( 4.855 -0.912 1.388) 5.131 5.091 ( 4.855 0.912 1.388) 5.131 5.132 ( 4.579 -2.225 -0.329) 5.102 5.132 ( 4.579 2.225 -0.329) 5.102 5.252 ( 6.900 -2.562 0.421) 7.372 5.252 ( 6.900 2.562 0.421) 7.372 5.631 ( 11.600 -0.374 0.183) 11.607 5.631 ( 11.600 0.374 0.183) 11.607 6.458 ( -1.887 -1.479 0.211) 2.407 6.458 ( -1.887 1.479 0.211) 2.407 6.643 ( 1.504 -3.058 -1.607) 3.768 6.643 ( 1.504 3.058 -1.607) 3.768 6.979 ( -2.365 -3.071 1.561) 4.178 6.979 ( -2.365 3.071 1.561) 4.178 7.175 ( 1.791 -1.404 -0.680) 2.375 7.175 ( 1.791 1.404 -0.680) 2.375 7.761 ( -1.993 -2.734 -2.036) 3.948 7.761 ( -1.993 2.734 -2.036) 3.948 8.110 ( 3.398 -5.105 5.381) 8.159 8.110 ( 3.398 5.105 5.381) 8.159 8.410 ( -1.638 -3.797 -4.249) 5.929 8.410 ( -1.638 3.797 -4.249) 5.929 8.527 ( 1.866 -4.027 -0.798) 4.509 8.527 ( 1.866 4.027 -0.798) 4.509 8.661 ( 3.480 -0.813 4.118) 5.452 8.661 ( 3.480 0.813 4.118) 5.452 8.745 ( 0.852 -1.992 -2.276) 3.142 8.745 ( 0.852 1.992 -2.276) 3.142 9.289 ( -5.302 -4.200 0.834) 6.815 9.289 ( -5.302 4.200 0.834) 6.815 9.527 ( -1.223 -3.021 0.396) 3.283 9.527 ( -1.223 3.021 0.396) 3.283 9.704 ( -7.868 -2.808 -0.508) 8.370 9.704 ( -7.868 2.808 -0.508) 8.370 10.148 ( -2.716 -8.534 4.494) 10.020 10.148 ( -2.716 8.534 4.494) 10.020 10.565 ( 5.523 -10.707 -8.237) 14.595 10.565 ( 5.523 10.707 -8.237) 14.595 11.196 ( 6.905 -6.657 1.266) 9.674 11.196 ( 6.905 6.657 1.266) 9.674 11.312 ( 4.995 -3.255 3.683) 7.008 11.312 ( 4.995 3.255 3.683) 7.008 11.678 ( 7.230 -3.307 -1.686) 8.128 11.678 ( 7.230 3.307 -1.686) 8.128 ======================= Grid point 109 (57/81) ======================= q-point: (-0.31 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.731 -1.540 3.772) 4.140 0.904 ( 0.731 1.540 3.772) 4.140 1.082 ( 4.557 -3.751 -1.617) 6.120 1.082 ( 4.557 3.751 -1.617) 6.120 1.158 ( -3.348 -4.464 -3.661) 6.674 1.158 ( -3.348 4.464 -3.661) 6.674 1.336 ( -3.633 -2.480 -0.565) 4.435 1.336 ( -3.633 2.480 -0.565) 4.435 1.383 ( -7.566 -1.671 1.825) 7.961 1.383 ( -7.566 1.671 1.825) 7.961 1.554 ( -4.019 -0.175 0.691) 4.082 1.554 ( -4.019 0.175 0.691) 4.082 1.608 ( -2.004 -1.204 -0.647) 2.426 1.608 ( -2.004 1.204 -0.647) 2.426 1.678 ( -6.125 -2.239 1.882) 6.787 1.678 ( -6.125 2.239 1.882) 6.787 1.724 ( -4.792 -0.928 -0.283) 4.889 1.724 ( -4.792 0.928 -0.283) 4.889 1.778 ( -1.496 -1.501 1.293) 2.482 1.778 ( -1.496 1.501 1.293) 2.482 1.950 ( -1.045 -2.053 0.432) 2.344 1.950 ( -1.045 2.053 0.432) 2.344 2.019 ( -2.058 -1.795 -0.129) 2.734 2.019 ( -2.058 1.795 -0.129) 2.734 2.063 ( -1.445 -1.824 -0.312) 2.348 2.063 ( -1.445 1.824 -0.312) 2.348 2.173 ( -1.336 -1.448 -2.296) 3.025 2.173 ( -1.336 1.448 -2.296) 3.025 2.224 ( -4.205 -2.937 1.370) 5.309 2.224 ( -4.205 2.937 1.370) 5.309 2.320 ( -5.061 -2.063 -1.778) 5.748 2.320 ( -5.061 2.063 -1.778) 5.748 2.406 ( -2.949 -3.067 -1.125) 4.401 2.406 ( -2.949 3.067 -1.125) 4.401 2.560 ( -6.446 -1.945 1.752) 6.957 2.560 ( -6.446 1.945 1.752) 6.957 2.718 ( -6.380 -3.646 -0.551) 7.369 2.718 ( -6.380 3.646 -0.551) 7.369 2.851 ( -5.619 -4.416 1.229) 7.252 2.851 ( -5.619 4.416 1.229) 7.252 3.063 ( -2.274 -2.091 0.598) 3.146 3.063 ( -2.274 2.091 0.598) 3.146 3.154 ( 2.073 -1.474 -1.228) 2.825 3.154 ( 2.073 1.474 -1.228) 2.825 3.273 ( -0.931 -1.603 -2.558) 3.159 3.273 ( -0.931 1.603 -2.558) 3.159 3.316 ( -0.543 -0.435 1.819) 1.947 3.316 ( -0.543 0.435 1.819) 1.947 3.432 ( -7.653 -3.065 0.170) 8.245 3.432 ( -7.653 3.065 0.170) 8.245 3.670 ( -4.858 -0.909 1.303) 5.111 3.670 ( -4.858 0.909 1.303) 5.111 3.872 ( 3.698 -5.809 -2.022) 7.176 3.872 ( 3.698 5.809 -2.022) 7.176 4.233 ( 5.314 -2.730 0.657) 6.011 4.233 ( 5.314 2.730 0.657) 6.011 4.457 ( 4.250 -3.061 2.323) 5.730 4.457 ( 4.250 3.061 2.323) 5.730 4.737 ( 4.601 -0.782 -2.988) 5.542 4.737 ( 4.601 0.782 -2.988) 5.542 4.790 ( -0.899 -1.796 1.367) 2.430 4.790 ( -0.899 1.796 1.367) 2.430 4.931 ( 3.387 -0.685 -0.736) 3.533 4.931 ( 3.387 0.685 -0.736) 3.533 5.173 ( 3.233 -2.545 0.331) 4.127 5.173 ( 3.233 2.545 0.331) 4.127 5.299 ( 13.008 -4.111 -2.003) 13.789 5.299 ( 13.008 4.111 -2.003) 13.789 5.458 ( 12.580 -4.155 2.071) 13.409 5.458 ( 12.580 4.155 2.071) 13.409 5.883 ( 15.123 -0.734 0.415) 15.146 5.883 ( 15.123 0.734 0.415) 15.146 6.441 ( -0.476 -2.499 0.967) 2.722 6.441 ( -0.476 2.499 0.967) 2.722 6.647 ( 0.439 -2.830 -3.154) 4.260 6.647 ( 0.439 2.830 -3.154) 4.260 6.961 ( -0.673 -3.252 0.176) 3.325 6.961 ( -0.673 3.252 0.176) 3.325 7.179 ( -0.250 -4.225 0.318) 4.244 7.179 ( -0.250 4.225 0.318) 4.244 7.758 ( 1.030 -4.426 2.359) 5.120 7.758 ( 1.030 4.426 2.359) 5.120 8.111 ( -6.371 -3.526 1.140) 7.371 8.111 ( -6.371 3.526 1.140) 7.371 8.290 ( -6.069 -3.456 -4.051) 8.074 8.290 ( -6.069 3.456 -4.051) 8.074 8.631 ( 5.918 -2.358 -0.409) 6.383 8.631 ( 5.918 2.358 -0.409) 6.383 8.701 ( 0.158 -2.245 -2.309) 3.224 8.701 ( 0.158 2.245 -2.309) 3.224 8.785 ( 2.896 -0.978 4.005) 5.038 8.785 ( 2.896 0.978 4.005) 5.038 9.181 ( -5.908 -4.059 0.007) 7.168 9.181 ( -5.908 4.059 0.007) 7.168 9.471 ( -5.545 -3.447 -0.933) 6.596 9.471 ( -5.545 3.447 -0.933) 6.596 9.584 ( -3.876 -2.040 1.821) 4.744 9.584 ( -3.876 2.040 1.821) 4.744 10.140 ( -1.276 -8.440 6.572) 10.773 10.140 ( -1.276 8.440 6.572) 10.773 10.620 ( 5.231 -10.806 -7.208) 14.004 10.620 ( 5.231 10.806 -7.208) 14.004 11.281 ( 1.546 -6.793 2.028) 7.256 11.281 ( 1.546 6.793 2.028) 7.256 11.475 ( 11.613 -4.275 -3.316) 12.811 11.475 ( 11.613 4.275 -3.316) 12.811 11.864 ( 12.785 -8.672 1.474) 15.519 11.864 ( 12.785 8.672 1.474) 15.519 ======================= Grid point 111 (58/81) ======================= q-point: (-0.23 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -6.661 -3.055 2.997) 7.917 0.872 ( -6.661 3.055 2.997) 7.917 1.059 ( -3.601 -2.548 -1.204) 4.573 1.059 ( -3.601 2.548 -1.204) 4.573 1.120 ( -4.637 -4.151 1.912) 6.511 1.120 ( -4.637 4.151 1.912) 6.511 1.240 ( -6.417 -2.471 3.568) 7.747 1.240 ( -6.417 2.471 3.568) 7.747 1.285 ( -1.874 -1.903 -1.591) 3.109 1.285 ( -1.874 1.903 -1.591) 3.109 1.477 ( -4.228 -2.520 -0.771) 4.982 1.477 ( -4.228 2.520 -0.771) 4.982 1.541 ( -3.984 -0.338 -2.780) 4.870 1.541 ( -3.984 0.338 -2.780) 4.870 1.571 ( -5.627 -6.967 -0.752) 8.987 1.571 ( -5.627 6.967 -0.752) 8.987 1.659 ( -2.835 -2.299 3.900) 5.342 1.659 ( -2.835 2.299 3.900) 5.342 1.781 ( -0.010 -1.466 0.583) 1.577 1.781 ( -0.010 1.466 0.583) 1.577 1.875 ( -6.186 -2.680 -5.018) 8.404 1.875 ( -6.186 2.680 -5.018) 8.404 1.969 ( -3.335 -1.982 -1.616) 4.203 1.969 ( -3.335 1.982 -1.616) 4.203 2.036 ( -3.756 -1.617 2.874) 4.998 2.036 ( -3.756 1.617 2.874) 4.998 2.111 ( -5.197 -0.348 1.089) 5.321 2.111 ( -5.197 0.348 1.089) 5.321 2.156 ( -3.353 -3.050 -1.366) 4.734 2.156 ( -3.353 3.050 -1.366) 4.734 2.196 ( -2.553 -3.402 -0.156) 4.257 2.196 ( -2.553 3.402 -0.156) 4.257 2.372 ( -3.892 -3.881 3.597) 6.569 2.372 ( -3.892 3.881 3.597) 6.569 2.448 ( -6.168 -2.482 -0.549) 6.671 2.448 ( -6.168 2.482 -0.549) 6.671 2.574 ( -7.967 -4.480 -0.813) 9.176 2.574 ( -7.967 4.480 -0.813) 9.176 2.765 ( -5.956 -5.607 1.368) 8.294 2.765 ( -5.956 5.607 1.368) 8.294 2.926 ( -10.273 -2.058 -0.488) 10.489 2.926 ( -10.273 2.058 -0.488) 10.489 3.091 ( -10.913 -3.103 -0.139) 11.347 3.091 ( -10.913 3.103 -0.139) 11.347 3.222 ( 2.393 -4.315 -1.861) 5.273 3.222 ( 2.393 4.315 -1.861) 5.273 3.319 ( -0.255 -1.655 0.845) 1.875 3.319 ( -0.255 1.655 0.845) 1.875 3.428 ( 6.599 -3.191 -0.857) 7.380 3.428 ( 6.599 3.191 -0.857) 7.380 3.659 ( 3.261 -1.092 0.638) 3.497 3.659 ( 3.261 1.092 0.638) 3.497 3.985 ( 8.695 -6.272 -1.964) 10.899 3.985 ( 8.695 6.272 -1.964) 10.899 4.344 ( 3.480 -2.688 3.583) 5.672 4.344 ( 3.480 2.688 3.583) 5.672 4.576 ( 7.648 -2.589 -0.391) 8.084 4.576 ( 7.648 2.589 -0.391) 8.084 4.743 ( 1.484 -1.599 -0.461) 2.229 4.743 ( 1.484 1.599 -0.461) 2.229 4.857 ( 6.079 -1.811 -1.728) 6.574 4.857 ( 6.079 1.811 -1.728) 6.574 5.011 ( 4.558 -1.103 0.697) 4.741 5.011 ( 4.558 1.103 0.697) 4.741 5.235 ( 4.284 -1.847 -1.009) 4.773 5.235 ( 4.284 1.847 -1.009) 4.773 5.541 ( 12.865 -3.677 -1.579) 13.473 5.541 ( 12.865 3.677 -1.579) 13.473 5.697 ( 11.354 -5.567 2.419) 12.875 5.697 ( 11.354 5.567 2.419) 12.875 6.167 ( 12.644 -3.542 -0.091) 13.131 6.167 ( 12.644 3.542 -0.091) 13.131 6.438 ( -0.616 -5.064 0.528) 5.129 6.438 ( -0.616 5.064 0.528) 5.129 6.621 ( -0.603 -2.396 -2.211) 3.316 6.621 ( -0.603 2.396 -2.211) 3.316 6.954 ( 1.047 -3.824 -2.591) 4.736 6.954 ( 1.047 3.824 -2.591) 4.736 7.204 ( 1.749 -7.114 4.356) 8.523 7.204 ( 1.749 7.114 4.356) 8.523 7.797 ( 0.058 -5.731 2.777) 6.368 7.797 ( 0.058 5.731 2.777) 6.368 7.891 ( -13.638 -5.950 -5.494) 15.861 7.891 ( -13.638 5.950 -5.494) 15.861 8.166 ( -6.774 -2.689 -0.054) 7.288 8.166 ( -6.774 2.689 -0.054) 7.288 8.536 ( -11.347 -5.101 -2.876) 12.769 8.536 ( -11.347 5.101 -2.876) 12.769 8.762 ( 1.596 -3.005 0.754) 3.485 8.762 ( 1.596 3.005 0.754) 3.485 8.868 ( 3.439 -1.769 0.037) 3.868 8.868 ( 3.439 1.769 0.037) 3.868 9.066 ( -5.258 -2.592 -1.177) 5.980 9.066 ( -5.258 2.592 -1.177) 5.980 9.384 ( -1.845 -4.902 0.506) 5.262 9.384 ( -1.845 4.902 0.506) 5.262 9.553 ( -1.491 -2.282 2.071) 3.424 9.553 ( -1.491 2.282 2.071) 3.424 10.193 ( 1.469 -4.055 10.682) 11.520 10.193 ( 1.469 4.055 10.682) 11.520 10.669 ( 3.959 -10.719 -5.805) 12.816 10.669 ( 3.959 10.719 -5.805) 12.816 11.306 ( 0.641 -6.611 1.173) 6.744 11.306 ( 0.641 6.611 1.173) 6.744 11.676 ( 12.637 -11.368 -5.667) 17.918 11.676 ( 12.637 11.368 -5.667) 17.918 12.177 ( 19.695 -14.903 2.164) 24.793 12.177 ( 19.695 14.903 2.164) 24.793 ======================= Grid point 113 (59/81) ======================= q-point: (-0.15 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -8.635 -6.318 2.604) 11.011 0.736 ( -8.635 6.318 2.604) 11.011 0.917 ( -12.750 -5.477 7.447) 15.748 0.917 ( -12.750 5.477 7.447) 15.748 1.040 ( -3.800 -3.885 1.823) 5.732 1.040 ( -3.800 3.885 1.823) 5.732 1.142 ( -6.079 -2.660 -0.297) 6.642 1.142 ( -6.079 2.660 -0.297) 6.642 1.252 ( -2.534 -1.809 -0.903) 3.242 1.252 ( -2.534 1.809 -0.903) 3.242 1.374 ( -6.433 -3.340 0.312) 7.255 1.374 ( -6.433 3.340 0.312) 7.255 1.448 ( -3.649 -2.147 -1.029) 4.357 1.448 ( -3.649 2.147 -1.029) 4.357 1.494 ( -2.975 -2.921 -1.415) 4.403 1.494 ( -2.975 2.921 -1.415) 4.403 1.628 ( -4.016 -1.270 4.703) 6.313 1.628 ( -4.016 1.270 4.703) 6.313 1.679 ( -8.985 -1.311 -1.562) 9.213 1.679 ( -8.985 1.311 -1.562) 9.213 1.767 ( -3.902 -1.679 -0.445) 4.271 1.767 ( -3.902 1.679 -0.445) 4.271 1.881 ( -3.406 -2.517 -2.713) 5.030 1.881 ( -3.406 2.517 -2.713) 5.030 1.947 ( -6.638 -1.680 1.452) 7.000 1.947 ( -6.638 1.680 1.452) 7.000 2.008 ( -8.275 -4.280 0.161) 9.318 2.008 ( -8.275 4.280 0.161) 9.318 2.071 ( -2.006 -1.069 -0.236) 2.285 2.071 ( -2.006 1.069 -0.236) 2.285 2.217 ( 0.233 -2.195 1.526) 2.684 2.217 ( 0.233 2.195 1.526) 2.684 2.289 ( -6.500 -0.895 3.455) 7.415 2.289 ( -6.500 0.895 3.455) 7.415 2.352 ( -2.476 -4.018 -1.137) 4.855 2.352 ( -2.476 4.018 -1.137) 4.855 2.407 ( -8.129 -2.878 -0.731) 8.654 2.407 ( -8.129 2.878 -0.731) 8.654 2.583 ( -12.085 -6.022 -2.272) 13.692 2.583 ( -12.085 6.022 -2.272) 13.692 2.800 ( -2.641 -2.930 0.052) 3.944 2.800 ( -2.641 2.930 0.052) 3.944 2.923 ( -4.925 -3.301 -0.616) 5.961 2.923 ( -4.925 3.301 -0.616) 5.961 3.286 ( 4.509 -5.843 -1.087) 7.460 3.286 ( 4.509 5.843 -1.087) 7.460 3.355 ( 3.618 -0.586 0.512) 3.700 3.355 ( 3.618 0.586 0.512) 3.700 3.561 ( 6.894 -4.250 -1.077) 8.170 3.561 ( 6.894 4.250 -1.077) 8.170 3.787 ( 10.569 -1.094 -0.318) 10.630 3.787 ( 10.569 1.094 -0.318) 10.630 4.138 ( 8.122 -6.593 -1.847) 10.623 4.138 ( 8.122 6.593 -1.847) 10.623 4.350 ( -4.534 -0.971 3.190) 5.628 4.350 ( -4.534 0.971 3.190) 5.628 4.731 ( 7.634 -3.867 1.168) 8.637 4.731 ( 7.634 3.867 1.168) 8.637 4.824 ( 5.799 -2.820 -3.474) 7.324 4.824 ( 5.799 2.820 -3.474) 7.324 4.950 ( 3.824 -2.027 1.144) 4.477 4.950 ( 3.824 2.027 1.144) 4.477 5.137 ( 10.528 -2.399 -0.393) 10.805 5.137 ( 10.528 2.399 -0.393) 10.805 5.342 ( 8.326 -1.166 -0.630) 8.431 5.342 ( 8.326 1.166 -0.630) 8.431 5.714 ( 5.384 -1.893 -0.836) 5.768 5.714 ( 5.384 1.893 -0.836) 5.768 5.900 ( 7.387 -2.575 2.589) 8.240 5.900 ( 7.387 2.575 2.589) 8.240 6.227 ( -4.017 -5.333 -0.351) 6.686 6.227 ( -4.017 5.333 -0.351) 6.686 6.412 ( -2.343 -3.339 -2.597) 4.836 6.412 ( -2.343 3.339 -2.597) 4.836 6.691 ( 6.710 -3.518 1.056) 7.649 6.691 ( 6.710 3.518 1.056) 7.649 6.962 ( 1.056 -2.745 -2.251) 3.703 6.962 ( 1.056 2.745 -2.251) 3.703 7.290 ( 4.357 -6.266 3.237) 8.290 7.290 ( 4.357 6.266 3.237) 8.290 7.542 ( -14.991 -7.475 -7.900) 18.521 7.542 ( -14.991 7.475 -7.900) 18.521 7.827 ( -1.772 -6.343 2.914) 7.201 7.827 ( -1.772 6.343 2.914) 7.201 8.013 ( -9.810 -2.992 -0.345) 10.262 8.013 ( -9.810 2.992 -0.345) 10.262 8.255 ( -15.098 -6.301 -2.274) 16.517 8.255 ( -15.098 6.301 -2.274) 16.517 8.685 ( -7.905 -3.063 -6.752) 10.838 8.685 ( -7.905 3.063 -6.752) 10.838 8.851 ( -1.811 -2.145 -0.406) 2.837 8.851 ( -1.811 2.145 -0.406) 2.837 9.061 ( 2.398 -1.542 0.747) 2.947 9.061 ( 2.398 1.542 0.747) 2.947 9.402 ( 1.968 -3.735 2.683) 5.002 9.402 ( 1.968 3.735 2.683) 5.002 9.546 ( -0.642 -0.827 1.986) 2.245 9.546 ( -0.642 0.827 1.986) 2.245 10.306 ( 2.008 -7.119 13.084) 15.030 10.306 ( 2.008 7.119 13.084) 15.030 10.696 ( 2.350 -8.955 -3.563) 9.920 10.696 ( 2.350 8.955 -3.563) 9.920 11.336 ( 2.322 -6.918 -0.052) 7.297 11.336 ( 2.322 6.918 -0.052) 7.297 11.885 ( 12.730 -13.546 -1.919) 18.688 11.885 ( 12.730 13.546 -1.919) 18.688 12.612 ( 25.585 -18.581 -0.319) 31.622 12.612 ( 25.585 18.581 -0.319) 31.622 ======================= Grid point 115 (60/81) ======================= q-point: (-0.08 -0.50 0.25) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -5.947 -11.743 3.137) 13.531 0.609 ( -5.947 11.743 3.137) 13.531 0.747 ( -10.287 -7.951 12.063) 17.736 0.747 ( -10.287 7.951 12.063) 17.736 0.968 ( -8.200 -0.942 5.591) 9.969 0.968 ( -8.200 0.942 5.591) 9.969 1.022 ( -3.583 -3.660 -3.532) 6.222 1.022 ( -3.583 3.660 -3.532) 6.222 1.167 ( -4.557 -2.103 0.323) 5.029 1.167 ( -4.557 2.103 0.323) 5.029 1.291 ( -3.241 -2.551 0.792) 4.199 1.291 ( -3.241 2.551 0.792) 4.199 1.385 ( -3.004 -3.083 0.907) 4.399 1.385 ( -3.004 3.083 0.907) 4.399 1.414 ( -4.546 -5.051 0.597) 6.821 1.414 ( -4.546 5.051 0.597) 6.821 1.519 ( -5.764 -4.771 2.313) 7.831 1.519 ( -5.764 4.771 2.313) 7.831 1.601 ( -4.300 -2.887 4.741) 7.021 1.601 ( -4.300 2.887 4.741) 7.021 1.663 ( -4.676 -3.062 -0.726) 5.636 1.663 ( -4.676 3.062 -0.726) 5.636 1.787 ( -4.965 -4.443 -0.008) 6.663 1.787 ( -4.965 4.443 -0.008) 6.663 1.822 ( -5.582 -5.120 -1.832) 7.793 1.822 ( -5.582 5.120 -1.832) 7.793 1.912 ( -2.033 -2.894 0.960) 3.665 1.912 ( -2.033 2.894 0.960) 3.665 2.033 ( -2.614 -0.840 -1.104) 2.959 2.033 ( -2.614 0.840 -1.104) 2.959 2.153 ( -5.422 -2.650 2.718) 6.619 2.153 ( -5.422 2.650 2.718) 6.619 2.225 ( -1.754 -4.572 -0.001) 4.897 2.225 ( -1.754 4.572 -0.001) 4.897 2.323 ( 0.129 -1.787 -1.975) 2.667 2.323 ( 0.129 1.787 -1.975) 2.667 2.348 ( -1.848 -0.990 -2.251) 3.076 2.348 ( -1.848 0.990 -2.251) 3.076 2.405 ( -1.728 -6.082 -2.304) 6.730 2.405 ( -1.728 6.082 -2.304) 6.730 2.789 ( 1.804 -1.994 -0.927) 2.844 2.789 ( 1.804 1.994 -0.927) 2.844 2.888 ( 0.911 -1.401 -1.939) 2.560 2.888 ( 0.911 1.401 -1.939) 2.560 3.345 ( 2.264 -2.795 -0.905) 3.709 3.345 ( 2.264 2.795 -0.905) 3.709 3.439 ( 3.238 -3.883 0.366) 5.069 3.439 ( 3.238 3.883 0.366) 5.069 3.684 ( 8.013 -1.181 0.929) 8.153 3.684 ( 8.013 1.181 0.929) 8.153 4.023 ( 13.432 -4.776 -1.708) 14.358 4.023 ( 13.432 4.776 -1.708) 14.358 4.234 ( 0.089 -3.157 -0.245) 3.168 4.234 ( 0.089 3.157 -0.245) 3.168 4.269 ( -2.035 -4.032 0.455) 4.540 4.269 ( -2.035 4.032 0.455) 4.540 4.741 ( -6.272 -2.585 -0.086) 6.784 4.741 ( -6.272 2.585 -0.086) 6.784 4.877 ( 0.936 -3.512 -2.115) 4.206 4.877 ( 0.936 3.512 -2.115) 4.206 5.067 ( 7.277 -3.925 1.388) 8.384 5.067 ( 7.277 3.925 1.388) 8.384 5.348 ( 8.682 -2.979 0.147) 9.180 5.348 ( 8.682 2.979 0.147) 9.180 5.553 ( 10.905 -1.083 -0.560) 10.973 5.553 ( 10.905 1.083 -0.560) 10.973 5.722 ( -1.077 -3.702 3.529) 5.226 5.722 ( -1.077 3.702 3.529) 5.226 5.966 ( 1.182 -3.046 -0.191) 3.273 5.966 ( 1.182 3.046 -0.191) 3.273 6.152 ( -4.418 -3.230 -1.464) 5.666 6.152 ( -4.418 3.230 -1.464) 5.666 6.317 ( -5.754 -4.713 -4.285) 8.584 6.317 ( -5.754 4.713 -4.285) 8.584 6.731 ( -0.991 -3.326 0.023) 3.470 6.731 ( -0.991 3.326 0.023) 3.470 6.959 ( -0.548 -2.873 -4.686) 5.524 6.959 ( -0.548 2.873 -4.686) 5.524 7.252 ( -6.082 -1.367 -4.104) 7.464 7.252 ( -6.082 1.367 -4.104) 7.464 7.443 ( 2.810 -6.264 4.146) 8.020 7.443 ( 2.810 6.264 4.146) 8.020 7.727 ( -8.522 -4.341 -3.510) 10.188 7.727 ( -8.522 4.341 -3.510) 10.188 7.826 ( -7.441 -2.569 1.941) 8.107 7.826 ( -7.441 2.569 1.941) 8.107 8.057 ( -3.471 -2.639 -2.515) 5.033 8.057 ( -3.471 2.639 -2.515) 5.033 8.490 ( -5.838 -2.427 -9.079) 11.064 8.490 ( -5.838 2.427 -9.079) 11.064 8.829 ( -1.405 -2.187 1.974) 3.264 8.829 ( -1.405 2.187 1.974) 3.264 9.087 ( 0.342 -2.815 -0.072) 2.836 9.087 ( 0.342 2.815 -0.072) 2.836 9.460 ( 1.625 -3.155 2.195) 4.173 9.460 ( 1.625 3.155 2.195) 4.173 9.550 ( -0.539 -0.407 2.436) 2.528 9.550 ( -0.539 0.407 2.436) 2.528 10.382 ( -1.484 -15.759 9.854) 18.646 10.382 ( -1.484 15.759 9.854) 18.646 10.731 ( 2.446 -5.656 0.010) 6.162 10.731 ( 2.446 5.656 0.010) 6.162 11.375 ( 1.855 -7.004 -2.287) 7.598 11.375 ( 1.855 7.004 -2.287) 7.598 12.136 ( 11.578 -11.298 8.007) 18.050 12.136 ( 11.578 11.298 8.007) 18.050 13.070 ( 22.697 -14.498 -5.139) 27.418 13.070 ( 22.697 14.498 -5.139) 27.418 ======================= Grid point 130 (61/81) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 1.073 0.000 -8.548) 8.615 0.442 ( -1.073 0.000 8.548) 8.615 0.615 ( -7.178 0.000 -9.350) 11.788 0.615 ( 7.178 0.000 9.350) 11.788 0.917 ( -3.930 0.000 -0.421) 3.953 0.917 ( 3.930 0.000 0.421) 3.953 1.027 ( -3.427 0.000 0.485) 3.461 1.027 ( 3.427 0.000 -0.485) 3.461 1.090 ( -1.016 0.000 -15.440) 15.474 1.090 ( 1.016 0.000 15.440) 15.474 1.177 ( -1.279 0.000 -3.006) 3.267 1.177 ( 1.279 0.000 3.006) 3.267 1.262 ( 0.575 0.000 -6.284) 6.310 1.262 ( -0.575 0.000 6.284) 6.310 1.426 ( -5.477 0.000 0.151) 5.480 1.426 ( 5.477 0.000 -0.151) 5.480 1.468 ( -0.696 0.000 -4.705) 4.756 1.468 ( 0.696 0.000 4.705) 4.756 1.650 ( -2.523 0.000 -1.458) 2.915 1.650 ( 2.523 0.000 1.458) 2.915 1.679 ( 3.170 0.000 -7.999) 8.604 1.679 ( -3.170 0.000 7.999) 8.604 1.719 ( 0.171 0.000 -0.319) 0.362 1.719 ( -0.171 0.000 0.319) 0.362 1.768 ( -2.443 0.000 -0.942) 2.618 1.768 ( 2.443 0.000 0.942) 2.618 1.800 ( 3.521 0.000 -2.387) 4.254 1.800 ( -3.521 0.000 2.387) 4.254 1.848 ( -0.857 0.000 -1.859) 2.047 1.848 ( 0.857 0.000 1.859) 2.047 2.074 ( -3.318 0.000 -2.648) 4.245 2.074 ( 3.318 0.000 2.648) 4.245 2.089 ( -2.299 0.000 -0.337) 2.324 2.089 ( 2.299 0.000 0.337) 2.324 2.300 ( 1.374 0.000 -1.526) 2.054 2.300 ( -1.374 0.000 1.526) 2.054 2.468 ( 2.118 0.000 -2.093) 2.978 2.468 ( -2.118 0.000 2.093) 2.978 2.648 ( -1.366 0.000 -5.582) 5.746 2.648 ( 1.366 0.000 5.582) 5.746 2.842 ( -0.687 0.000 -2.056) 2.168 2.842 ( 0.687 0.000 2.056) 2.168 2.901 ( -2.886 0.000 0.453) 2.921 2.901 ( 2.886 0.000 -0.453) 2.921 3.255 ( -0.314 0.000 -0.428) 0.531 3.255 ( 0.314 0.000 0.428) 0.531 3.502 ( 0.876 0.000 -2.321) 2.481 3.502 ( -0.876 0.000 2.321) 2.481 3.847 ( -14.589 0.000 2.429) 14.790 3.847 ( 14.589 0.000 -2.429) 14.790 3.977 ( -4.612 0.000 -5.466) 7.152 3.977 ( 4.612 0.000 5.466) 7.152 4.214 ( 8.274 0.000 -3.498) 8.983 4.214 ( -8.274 0.000 3.498) 8.983 4.379 ( -9.120 0.000 1.934) 9.322 4.379 ( 9.120 0.000 -1.934) 9.322 4.746 ( 4.336 0.000 -1.482) 4.582 4.746 ( -4.336 0.000 1.482) 4.582 4.804 ( -2.619 0.000 -4.523) 5.226 4.804 ( 2.619 0.000 4.523) 5.226 5.034 ( -2.640 0.000 0.695) 2.730 5.034 ( 2.640 0.000 -0.695) 2.730 5.508 ( 7.023 0.000 -3.340) 7.776 5.508 ( -7.023 0.000 3.340) 7.776 5.561 ( -5.630 0.000 -3.064) 6.410 5.561 ( 5.630 0.000 3.064) 6.410 5.839 ( -7.064 0.000 -0.053) 7.064 5.839 ( 7.064 0.000 0.053) 7.064 5.923 ( 7.281 0.000 -3.052) 7.895 5.923 ( -7.281 0.000 3.052) 7.895 6.152 ( 3.880 0.000 -3.935) 5.526 6.152 ( -3.880 0.000 3.935) 5.526 6.457 ( -13.313 0.000 -7.981) 15.522 6.457 ( 13.313 0.000 7.981) 15.522 6.638 ( -4.206 0.000 -4.473) 6.140 6.638 ( 4.206 0.000 4.473) 6.140 6.907 ( -0.930 0.000 -1.553) 1.810 6.907 ( 0.930 0.000 1.553) 1.810 7.148 ( -3.291 0.000 -1.603) 3.660 7.148 ( 3.291 0.000 1.603) 3.660 7.296 ( 2.664 0.000 -4.215) 4.986 7.296 ( -2.664 0.000 4.215) 4.986 7.640 ( -0.396 0.000 -2.346) 2.379 7.640 ( 0.396 0.000 2.346) 2.379 7.833 ( -2.151 0.000 -5.048) 5.487 7.833 ( 2.151 0.000 5.048) 5.487 8.031 ( 1.573 0.000 -2.685) 3.112 8.031 ( -1.573 0.000 2.685) 3.112 8.539 ( -5.701 0.000 0.346) 5.712 8.539 ( 5.701 0.000 -0.346) 5.712 8.911 ( -1.059 0.000 -1.497) 1.833 8.911 ( 1.059 0.000 1.497) 1.833 9.148 ( 0.479 0.000 -3.196) 3.232 9.148 ( -0.479 0.000 3.196) 3.232 9.439 ( -1.509 0.000 -2.735) 3.124 9.439 ( 1.509 0.000 2.735) 3.124 9.608 ( -0.683 0.000 -0.760) 1.022 9.608 ( 0.683 0.000 0.760) 1.022 10.275 ( -7.628 0.000 -18.625) 20.127 10.275 ( 7.628 0.000 18.625) 20.127 10.718 ( 1.450 0.000 -5.797) 5.975 10.718 ( -1.450 0.000 5.797) 5.975 11.536 ( -1.710 0.000 -3.731) 4.104 11.536 ( 1.710 0.000 3.731) 4.104 12.018 ( 1.419 0.000 -9.644) 9.748 12.018 ( -1.419 0.000 9.644) 9.748 13.328 ( -13.026 0.000 -4.532) 13.791 13.328 ( 13.026 0.000 4.532) 13.791 ======================= Grid point 132 (62/81) ======================= q-point: ( 0.08 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 10.943 0.000 -8.570) 13.899 0.533 ( 13.433 0.000 -8.045) 15.658 0.616 ( 7.300 0.000 7.207) 10.259 0.829 ( 6.439 0.000 11.212) 12.930 0.935 ( 4.479 0.000 -2.278) 5.025 0.990 ( 1.942 0.000 -2.098) 2.859 1.065 ( 6.711 0.000 -9.995) 12.039 1.108 ( 7.149 0.000 5.917) 9.281 1.158 ( 8.055 0.000 -0.057) 8.055 1.169 ( 3.057 0.000 -1.991) 3.648 1.219 ( 2.343 0.000 -0.959) 2.531 1.225 ( 2.881 0.000 1.309) 3.165 1.287 ( 4.771 0.000 -4.032) 6.247 1.353 ( 7.153 0.000 7.917) 10.670 1.391 ( 3.744 0.000 -0.130) 3.746 1.464 ( 5.236 0.000 -6.908) 8.669 1.509 ( 0.873 0.000 -0.546) 1.030 1.511 ( 4.674 0.000 -2.222) 5.175 1.636 ( 3.889 0.000 -4.317) 5.810 1.637 ( 0.423 0.000 -3.966) 3.988 1.702 ( 2.467 0.000 -0.097) 2.469 1.725 ( 0.390 0.000 3.933) 3.952 1.729 ( 2.932 0.000 -4.374) 5.266 1.760 ( 9.661 0.000 -5.357) 11.047 1.795 ( 4.061 0.000 -0.525) 4.094 1.829 ( 5.098 0.000 -0.778) 5.157 1.879 ( 3.341 0.000 3.227) 4.645 1.905 ( 7.090 0.000 -2.521) 7.525 1.909 ( 11.147 0.000 1.353) 11.228 1.931 ( 7.430 0.000 4.008) 8.441 2.034 ( 0.086 0.000 -2.113) 2.115 2.083 ( 1.250 0.000 4.978) 5.133 2.144 ( 2.740 0.000 1.316) 3.039 2.193 ( 6.869 0.000 3.117) 7.543 2.306 ( 0.725 0.000 2.863) 2.953 2.324 ( 2.211 0.000 -2.536) 3.365 2.411 ( -3.142 0.000 -1.606) 3.529 2.484 ( 1.870 0.000 -1.683) 2.516 2.571 ( -3.558 0.000 -0.882) 3.666 2.637 ( -3.858 0.000 5.981) 7.117 2.833 ( 1.277 0.000 -1.795) 2.203 2.845 ( 0.083 0.000 0.819) 0.823 2.869 ( 0.899 0.000 0.999) 1.344 2.933 ( 0.517 0.000 0.821) 0.970 3.241 ( -1.362 0.000 0.070) 1.364 3.278 ( 1.220 0.000 1.196) 1.708 3.486 ( -4.430 0.000 4.708) 6.465 3.496 ( -3.163 0.000 -2.637) 4.118 3.622 ( -7.228 0.000 0.697) 7.261 3.811 ( -8.055 0.000 -5.919) 9.996 3.917 ( -7.386 0.000 -4.655) 8.731 3.934 ( -15.342 0.000 7.686) 17.160 4.185 ( -8.056 0.000 -2.433) 8.416 4.197 ( 7.316 0.000 5.328) 9.050 4.293 ( 5.670 0.000 -4.517) 7.249 4.377 ( -6.315 0.000 2.990) 6.987 4.718 ( -0.340 0.000 -0.513) 0.616 4.767 ( 0.314 0.000 -2.302) 2.323 4.836 ( -2.712 0.000 1.606) 3.152 4.937 ( 3.642 0.000 1.744) 4.038 5.034 ( -2.694 0.000 4.713) 5.429 5.075 ( 1.555 0.000 1.809) 2.386 5.353 ( -8.807 0.000 -2.814) 9.246 5.429 ( -16.724 0.000 3.055) 17.001 5.446 ( -4.829 0.000 3.695) 6.080 5.626 ( 1.216 0.000 -7.135) 7.238 5.734 ( -6.857 0.000 2.456) 7.283 5.738 ( -7.353 0.000 -1.199) 7.450 5.972 ( 1.743 0.000 0.429) 1.795 5.983 ( 3.594 0.000 4.855) 6.041 6.166 ( 0.121 0.000 -7.429) 7.430 6.203 ( 7.636 0.000 1.918) 7.873 6.284 ( 5.369 0.000 -5.688) 7.822 6.596 ( -2.795 0.000 -0.939) 2.949 6.645 ( 4.490 0.000 1.870) 4.864 6.790 ( 4.512 0.000 2.199) 5.019 6.885 ( 0.973 0.000 -3.268) 3.410 6.895 ( -1.965 0.000 0.547) 2.040 7.085 ( -1.184 0.000 6.458) 6.565 7.173 ( -2.422 0.000 1.585) 2.895 7.469 ( 14.156 0.000 3.763) 14.647 7.473 ( 0.712 0.000 -2.594) 2.690 7.673 ( 17.743 0.000 0.536) 17.751 7.721 ( 7.558 0.000 2.319) 7.906 7.865 ( 8.573 0.000 -3.754) 9.358 7.875 ( 1.580 0.000 0.456) 1.645 8.041 ( 2.424 0.000 -2.728) 3.649 8.056 ( 2.625 0.000 3.657) 4.501 8.502 ( 1.619 0.000 1.815) 2.432 8.672 ( 7.819 0.000 -0.587) 7.841 8.910 ( 1.894 0.000 -1.901) 2.683 8.954 ( 2.094 0.000 1.052) 2.343 9.120 ( -1.155 0.000 -4.471) 4.618 9.140 ( -1.827 0.000 1.094) 2.130 9.373 ( -3.764 0.000 -0.668) 3.823 9.440 ( -3.913 0.000 3.401) 5.185 9.575 ( -2.485 0.000 0.198) 2.493 9.613 ( -0.689 0.000 2.008) 2.123 10.073 ( -3.395 0.000 -11.867) 12.343 10.516 ( 3.944 0.000 18.456) 18.873 10.700 ( 1.004 0.000 -8.227) 8.289 10.718 ( -2.490 0.000 6.890) 7.326 11.464 ( -3.841 0.000 -2.568) 4.621 11.565 ( -1.161 0.000 3.257) 3.457 11.852 ( -12.327 0.000 -13.403) 18.210 11.956 ( -10.173 0.000 9.404) 13.854 12.796 ( -29.526 0.000 -20.072) 35.703 13.321 ( -13.318 0.000 3.556) 13.784 ======================= Grid point 133 (63/81) ======================= q-point: ( 0.15 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 12.151 0.000 -4.544) 12.973 0.775 ( 13.411 0.000 -1.235) 13.468 0.891 ( 12.987 0.000 2.556) 13.236 0.988 ( 4.240 0.000 8.050) 9.099 1.029 ( 2.734 0.000 0.911) 2.882 1.062 ( 12.233 0.000 0.004) 12.233 1.138 ( -0.972 0.000 -0.897) 1.322 1.174 ( 3.704 0.000 -3.541) 5.124 1.194 ( 6.019 0.000 -4.323) 7.411 1.250 ( 6.293 0.000 -0.508) 6.314 1.273 ( 2.371 0.000 -3.993) 4.644 1.351 ( 7.564 0.000 -3.668) 8.407 1.392 ( 6.482 0.000 -1.211) 6.594 1.421 ( 2.381 0.000 -4.775) 5.336 1.482 ( 4.678 0.000 2.104) 5.130 1.525 ( 2.421 0.000 -1.175) 2.691 1.583 ( 4.774 0.000 1.237) 4.932 1.588 ( 4.078 0.000 -1.982) 4.534 1.670 ( 3.223 0.000 -3.169) 4.520 1.723 ( 6.017 0.000 -2.162) 6.394 1.732 ( 2.005 0.000 0.134) 2.010 1.835 ( 9.366 0.000 1.188) 9.441 1.845 ( 6.332 0.000 6.065) 8.768 1.870 ( 5.040 0.000 -3.693) 6.248 1.912 ( 9.203 0.000 -7.100) 11.624 1.938 ( 2.692 0.000 4.157) 4.952 1.977 ( 2.706 0.000 1.845) 3.275 2.047 ( 10.577 0.000 -1.743) 10.720 2.050 ( 6.974 0.000 0.727) 7.012 2.108 ( 9.129 0.000 4.729) 10.281 2.160 ( -1.052 0.000 -0.492) 1.162 2.188 ( 11.876 0.000 -0.168) 11.877 2.207 ( 9.972 0.000 3.683) 10.630 2.330 ( 1.893 0.000 0.451) 1.946 2.343 ( 4.701 0.000 -0.023) 4.701 2.357 ( 3.294 0.000 -2.996) 4.452 2.435 ( 7.298 0.000 0.557) 7.319 2.525 ( 0.568 0.000 0.158) 0.589 2.548 ( 5.364 0.000 -1.745) 5.641 2.704 ( 6.641 0.000 7.874) 10.300 2.834 ( 2.675 0.000 -2.139) 3.425 2.898 ( 6.210 0.000 -1.440) 6.375 2.940 ( 0.349 0.000 0.539) 0.642 2.969 ( 7.356 0.000 1.415) 7.491 3.216 ( -1.013 0.000 -0.660) 1.209 3.298 ( 0.484 0.000 -0.741) 0.885 3.331 ( -9.334 0.000 -0.442) 9.345 3.388 ( -6.716 0.000 1.291) 6.839 3.595 ( 0.947 0.000 -2.384) 2.566 3.647 ( -16.447 0.000 5.027) 17.198 3.648 ( -6.517 0.000 -1.365) 6.658 3.737 ( -8.436 0.000 -2.443) 8.783 4.011 ( -9.001 0.000 -2.695) 9.396 4.256 ( -5.683 0.000 -0.659) 5.721 4.366 ( 2.636 0.000 9.824) 10.171 4.395 ( 6.384 0.000 -2.736) 6.946 4.646 ( -10.427 0.000 5.868) 11.965 4.650 ( -5.808 0.000 -3.790) 6.935 4.753 ( -9.262 0.000 0.739) 9.292 4.928 ( -4.549 0.000 0.399) 4.566 4.970 ( -1.867 0.000 0.229) 1.881 5.037 ( -11.212 0.000 -0.157) 11.213 5.148 ( -11.991 0.000 1.707) 12.112 5.188 ( -4.106 0.000 2.131) 4.626 5.330 ( -7.835 0.000 -0.583) 7.856 5.351 ( -14.997 0.000 -1.808) 15.106 5.631 ( -6.397 0.000 -0.615) 6.426 5.718 ( -4.144 0.000 -1.836) 4.532 6.005 ( -5.460 0.000 -0.852) 5.526 6.012 ( -0.809 0.000 4.921) 4.987 6.165 ( 2.271 0.000 -3.877) 4.494 6.288 ( -2.687 0.000 -1.480) 3.068 6.380 ( -4.997 0.000 5.626) 7.525 6.503 ( 4.435 0.000 -5.595) 7.140 6.643 ( -4.982 0.000 4.904) 6.991 6.735 ( -7.331 0.000 -0.540) 7.351 6.885 ( -0.192 0.000 -4.709) 4.713 6.973 ( 8.440 0.000 1.107) 8.513 7.092 ( -5.438 0.000 0.593) 5.470 7.249 ( 7.965 0.000 7.893) 11.214 7.444 ( 4.731 0.000 2.442) 5.324 7.649 ( 3.825 0.000 -3.248) 5.018 7.874 ( 2.697 0.000 -4.989) 5.671 7.951 ( 15.850 0.000 3.910) 16.326 7.990 ( 5.578 0.000 0.643) 5.615 8.042 ( 8.421 0.000 -0.178) 8.423 8.188 ( 11.156 0.000 3.948) 11.834 8.325 ( 23.617 0.000 8.128) 24.977 8.610 ( 7.291 0.000 3.831) 8.237 8.794 ( 5.699 0.000 -2.224) 6.117 8.943 ( 2.308 0.000 -2.142) 3.149 8.982 ( -0.071 0.000 0.773) 0.777 9.038 ( -4.374 0.000 -5.271) 6.850 9.090 ( -3.575 0.000 -1.860) 4.030 9.319 ( -1.961 0.000 1.336) 2.373 9.337 ( -7.839 0.000 3.559) 8.609 9.531 ( -2.137 0.000 0.329) 2.162 9.621 ( 0.299 0.000 2.505) 2.523 10.009 ( 0.966 0.000 -2.751) 2.916 10.547 ( -6.759 0.000 0.223) 6.763 10.656 ( 1.114 0.000 -12.624) 12.673 10.736 ( -2.135 0.000 11.263) 11.463 11.368 ( -5.347 0.000 -0.715) 5.395 11.426 ( -12.116 0.000 -16.157) 20.195 11.595 ( -2.577 0.000 0.120) 2.580 11.799 ( -11.181 0.000 8.135) 13.827 12.244 ( -17.320 0.000 -15.216) 23.054 12.977 ( -24.074 0.000 4.070) 24.416 ======================= Grid point 134 (64/81) ======================= q-point: ( 0.23 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 5.946 0.000 -1.285) 6.084 0.991 ( 9.422 0.000 -1.072) 9.483 1.006 ( -2.498 0.000 -0.937) 2.668 1.024 ( 2.637 0.000 -0.519) 2.688 1.115 ( 2.416 0.000 0.548) 2.478 1.154 ( -0.496 0.000 -2.597) 2.644 1.174 ( 5.965 0.000 1.926) 6.268 1.268 ( 2.572 0.000 -4.518) 5.199 1.323 ( 10.691 0.000 2.905) 11.078 1.366 ( 4.808 0.000 1.218) 4.960 1.394 ( 8.980 0.000 -0.781) 9.014 1.426 ( 6.154 0.000 -3.651) 7.155 1.487 ( 6.605 0.000 0.809) 6.655 1.487 ( 4.670 0.000 -1.253) 4.835 1.580 ( 3.432 0.000 -0.883) 3.544 1.585 ( 5.826 0.000 1.666) 6.060 1.619 ( 2.277 0.000 -1.746) 2.869 1.668 ( 0.732 0.000 -0.945) 1.196 1.729 ( 7.114 0.000 3.067) 7.747 1.807 ( 3.861 0.000 -1.026) 3.995 1.823 ( 5.585 0.000 3.078) 6.376 1.930 ( 4.048 0.000 -4.057) 5.732 1.963 ( 3.812 0.000 3.150) 4.945 1.970 ( 3.612 0.000 -1.178) 3.799 1.975 ( -0.868 0.000 6.496) 6.554 2.002 ( 0.384 0.000 -0.225) 0.445 2.051 ( 8.769 0.000 -3.898) 9.597 2.131 ( -1.185 0.000 -0.144) 1.194 2.180 ( 2.502 0.000 1.425) 2.879 2.201 ( 8.117 0.000 0.597) 8.139 2.288 ( 1.322 0.000 -1.966) 2.369 2.288 ( 7.077 0.000 3.804) 8.034 2.347 ( 0.709 0.000 -1.407) 1.576 2.407 ( 5.497 0.000 -5.065) 7.475 2.425 ( 2.494 0.000 0.133) 2.497 2.500 ( 13.483 0.000 1.204) 13.536 2.584 ( 7.670 0.000 0.715) 7.703 2.588 ( 8.053 0.000 -2.116) 8.326 2.695 ( 9.656 0.000 1.286) 9.741 2.889 ( 8.669 0.000 1.559) 8.808 2.962 ( 3.660 0.000 -0.450) 3.688 2.973 ( 9.352 0.000 0.410) 9.361 3.054 ( 7.062 0.000 -0.621) 7.090 3.130 ( 8.420 0.000 1.312) 8.522 3.185 ( 0.248 0.000 -3.520) 3.529 3.227 ( -1.065 0.000 0.997) 1.459 3.259 ( -2.288 0.000 -2.483) 3.376 3.344 ( 2.498 0.000 -1.644) 2.991 3.407 ( -10.747 0.000 2.501) 11.034 3.571 ( -1.742 0.000 -0.164) 1.750 3.583 ( -5.923 0.000 1.951) 6.236 3.610 ( 2.053 0.000 -1.686) 2.656 3.830 ( -8.795 0.000 -1.679) 8.954 4.141 ( -5.379 0.000 -1.286) 5.531 4.348 ( -11.056 0.000 7.560) 13.393 4.442 ( -4.908 0.000 -1.127) 5.036 4.489 ( -3.734 0.000 -4.505) 5.851 4.525 ( -8.981 0.000 9.169) 12.834 4.636 ( 0.892 0.000 -0.773) 1.180 4.788 ( -6.638 0.000 -0.167) 6.640 4.869 ( -5.464 0.000 -1.332) 5.624 4.920 ( -4.644 0.000 0.590) 4.681 4.980 ( -5.924 0.000 -0.503) 5.945 5.099 ( -7.651 0.000 0.859) 7.699 5.182 ( -6.798 0.000 -1.835) 7.041 5.218 ( -0.555 0.000 1.265) 1.382 5.463 ( -10.983 0.000 -0.969) 11.026 5.572 ( -9.903 0.000 -0.536) 9.918 5.792 ( -14.015 0.000 -3.781) 14.517 5.944 ( -9.313 0.000 6.234) 11.207 6.000 ( -19.438 0.000 1.773) 19.518 6.102 ( -13.003 0.000 -1.783) 13.124 6.341 ( 3.797 0.000 0.903) 3.903 6.555 ( -5.550 0.000 1.084) 5.654 6.649 ( -3.141 0.000 3.664) 4.826 6.682 ( 10.275 0.000 -4.197) 11.099 6.802 ( -3.179 0.000 -3.581) 4.788 7.023 ( -2.738 0.000 2.248) 3.542 7.041 ( 1.015 0.000 -4.984) 5.087 7.422 ( 0.576 0.000 5.601) 5.630 7.594 ( 10.470 0.000 4.210) 11.285 7.682 ( 2.571 0.000 -3.484) 4.330 7.979 ( 10.397 0.000 -0.241) 10.400 8.027 ( 0.505 0.000 -2.644) 2.692 8.170 ( 5.930 0.000 0.327) 5.939 8.268 ( 13.510 0.000 4.988) 14.402 8.452 ( 11.581 0.000 3.749) 12.173 8.637 ( 2.732 0.000 1.658) 3.196 8.808 ( 6.310 0.000 6.011) 8.715 8.821 ( -3.332 0.000 -2.226) 4.007 8.914 ( -3.144 0.000 -0.502) 3.184 8.931 ( -6.675 0.000 -2.326) 7.069 8.981 ( 3.046 0.000 -6.032) 6.758 9.016 ( 2.352 0.000 3.822) 4.488 9.299 ( 3.159 0.000 2.199) 3.849 9.317 ( 1.730 0.000 -0.591) 1.829 9.513 ( 0.300 0.000 1.053) 1.095 9.651 ( 1.043 0.000 3.147) 3.315 10.059 ( 2.721 0.000 5.463) 6.103 10.363 ( -6.230 0.000 -15.003) 16.245 10.598 ( 2.087 0.000 -16.025) 16.161 10.714 ( -6.582 0.000 7.973) 10.338 11.197 ( -5.957 0.000 -2.911) 6.630 11.257 ( -6.522 0.000 0.932) 6.588 11.587 ( 0.240 0.000 0.529) 0.581 11.664 ( -7.526 0.000 5.532) 9.341 11.901 ( -13.968 0.000 -5.999) 15.201 12.527 ( -25.065 0.000 2.205) 25.162 ======================= Grid point 135 (65/81) ======================= q-point: ( 0.31 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -1.752 0.000 -0.203) 1.764 0.941 ( -3.047 0.000 -0.870) 3.169 0.991 ( -4.629 0.000 -1.317) 4.813 1.107 ( -0.230 0.000 1.086) 1.110 1.112 ( 3.020 0.000 -9.042) 9.533 1.158 ( 2.832 0.000 -0.695) 2.916 1.310 ( 6.215 0.000 3.009) 6.905 1.325 ( 3.954 0.000 2.562) 4.711 1.443 ( 3.299 0.000 0.934) 3.429 1.488 ( 3.767 0.000 1.176) 3.946 1.503 ( 6.152 0.000 0.745) 6.197 1.546 ( 3.644 0.000 1.245) 3.851 1.550 ( 5.343 0.000 -0.245) 5.349 1.608 ( 4.109 0.000 -3.756) 5.567 1.658 ( 6.324 0.000 1.494) 6.498 1.673 ( 3.946 0.000 0.307) 3.958 1.691 ( 3.163 0.000 0.408) 3.189 1.721 ( 6.881 0.000 0.636) 6.911 1.860 ( 3.113 0.000 -0.230) 3.121 1.863 ( 3.297 0.000 -0.925) 3.425 1.940 ( 4.688 0.000 6.545) 8.051 1.954 ( -2.557 0.000 0.446) 2.596 1.999 ( -0.603 0.000 3.644) 3.694 2.002 ( 4.879 0.000 0.844) 4.952 2.021 ( 1.729 0.000 -2.076) 2.702 2.047 ( 4.478 0.000 -0.897) 4.567 2.125 ( 0.875 0.000 0.072) 0.878 2.145 ( 2.683 0.000 -1.454) 3.052 2.214 ( 2.420 0.000 -0.572) 2.487 2.240 ( -0.995 0.000 -2.701) 2.878 2.329 ( 1.207 0.000 -0.762) 1.427 2.392 ( 2.132 0.000 0.958) 2.337 2.395 ( 3.556 0.000 2.981) 4.640 2.469 ( 5.589 0.000 -0.806) 5.646 2.513 ( 8.483 0.000 -3.906) 9.339 2.670 ( 10.664 0.000 -3.573) 11.247 2.733 ( 6.987 0.000 1.419) 7.129 2.773 ( 8.542 0.000 -1.688) 8.707 2.882 ( 8.469 0.000 1.870) 8.673 2.965 ( -1.511 0.000 0.254) 1.533 3.031 ( -0.894 0.000 0.495) 1.022 3.081 ( 2.848 0.000 1.667) 3.300 3.088 ( 1.450 0.000 1.393) 2.010 3.194 ( 1.894 0.000 -1.639) 2.505 3.200 ( -1.908 0.000 -1.909) 2.699 3.269 ( -1.514 0.000 1.084) 1.862 3.308 ( 7.757 0.000 -1.974) 8.005 3.312 ( 2.492 0.000 -1.770) 3.056 3.408 ( 3.245 0.000 -1.293) 3.494 3.507 ( 1.001 0.000 1.511) 1.813 3.665 ( 8.150 0.000 -0.737) 8.183 3.669 ( -0.313 0.000 1.998) 2.022 3.706 ( 3.507 0.000 -3.874) 5.226 4.056 ( -2.058 0.000 -2.201) 3.013 4.180 ( -9.317 0.000 5.135) 10.638 4.273 ( -7.868 0.000 0.449) 7.881 4.395 ( -9.035 0.000 7.200) 11.553 4.452 ( 0.055 0.000 -4.821) 4.821 4.695 ( -5.896 0.000 2.023) 6.233 4.699 ( 3.069 0.000 -0.798) 3.171 4.812 ( -0.028 0.000 -0.566) 0.567 4.855 ( -1.875 0.000 1.844) 2.630 4.874 ( -5.309 0.000 -1.204) 5.444 5.008 ( -2.763 0.000 0.558) 2.819 5.062 ( -5.021 0.000 -2.599) 5.653 5.209 ( -1.583 0.000 0.269) 1.606 5.247 ( -9.446 0.000 -1.900) 9.635 5.356 ( -13.142 0.000 1.487) 13.226 5.485 ( -16.323 0.000 -1.811) 16.423 5.624 ( -19.184 0.000 0.407) 19.189 5.777 ( -11.832 0.000 4.278) 12.581 5.848 ( -12.746 0.000 -0.684) 12.765 6.409 ( 2.217 0.000 0.001) 2.217 6.501 ( -0.777 0.000 0.589) 0.975 6.621 ( -2.240 0.000 4.173) 4.736 6.655 ( -2.279 0.000 -6.319) 6.718 6.899 ( 6.128 0.000 3.740) 7.179 7.013 ( -0.297 0.000 -4.847) 4.856 7.032 ( 2.842 0.000 2.975) 4.115 7.327 ( -7.207 0.000 -2.883) 7.762 7.697 ( 0.723 0.000 -2.238) 2.352 7.886 ( 12.427 0.000 10.285) 16.131 7.993 ( -1.844 0.000 -4.301) 4.679 8.114 ( 4.636 0.000 -5.514) 7.204 8.306 ( 6.722 0.000 4.252) 7.954 8.480 ( 5.718 0.000 3.882) 6.912 8.557 ( -9.199 0.000 -0.122) 9.199 8.602 ( 1.381 0.000 2.137) 2.544 8.685 ( -9.796 0.000 -3.048) 10.259 8.714 ( -3.858 0.000 1.134) 4.021 8.858 ( -2.713 0.000 -2.323) 3.571 8.889 ( -2.067 0.000 1.756) 2.712 9.029 ( 4.869 0.000 -3.517) 6.007 9.223 ( 11.454 0.000 5.034) 12.511 9.385 ( 6.462 0.000 -2.423) 6.901 9.391 ( 3.327 0.000 -2.188) 3.982 9.594 ( 7.489 0.000 4.252) 8.612 9.706 ( 2.551 0.000 4.453) 5.132 10.136 ( 0.135 0.000 7.928) 7.929 10.171 ( -3.299 0.000 -18.001) 18.301 10.546 ( 3.099 0.000 -16.499) 16.787 10.610 ( -8.942 0.000 8.247) 12.165 11.127 ( -3.681 0.000 6.112) 7.135 11.144 ( -6.451 0.000 2.424) 6.892 11.568 ( -6.072 0.000 2.047) 6.408 11.573 ( -1.371 0.000 -9.118) 9.221 11.648 ( -10.897 0.000 5.494) 12.204 12.108 ( -19.885 0.000 0.576) 19.893 ======================= Grid point 136 (66/81) ======================= q-point: ( 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -4.416 0.000 -0.961) 4.519 0.869 ( -6.218 0.000 -2.917) 6.868 0.904 ( -0.883 0.000 0.848) 1.224 1.035 ( -2.013 0.000 -5.516) 5.872 1.151 ( 1.604 0.000 -2.281) 2.789 1.192 ( -0.780 0.000 3.517) 3.602 1.409 ( 2.423 0.000 3.868) 4.565 1.441 ( 5.914 0.000 0.656) 5.950 1.497 ( 2.806 0.000 -0.203) 2.813 1.546 ( 2.142 0.000 1.716) 2.745 1.598 ( 2.402 0.000 1.657) 2.918 1.606 ( 4.745 0.000 0.825) 4.816 1.646 ( 2.882 0.000 -4.043) 4.965 1.664 ( 4.872 0.000 1.554) 5.114 1.734 ( 2.049 0.000 -0.367) 2.081 1.753 ( 3.894 0.000 0.215) 3.900 1.784 ( 4.376 0.000 -1.375) 4.587 1.826 ( 2.921 0.000 4.195) 5.111 1.890 ( 1.718 0.000 0.340) 1.751 1.904 ( -1.932 0.000 -1.039) 2.194 1.934 ( 5.235 0.000 -3.624) 6.367 2.022 ( 0.589 0.000 3.883) 3.928 2.044 ( 2.803 0.000 -2.153) 3.535 2.059 ( 3.568 0.000 5.723) 6.744 2.082 ( 2.925 0.000 -2.004) 3.546 2.120 ( 3.747 0.000 -1.706) 4.117 2.160 ( 2.403 0.000 0.056) 2.403 2.165 ( 1.333 0.000 -0.782) 1.545 2.197 ( -1.809 0.000 -0.893) 2.018 2.275 ( 4.175 0.000 -0.905) 4.272 2.363 ( 2.217 0.000 1.806) 2.859 2.394 ( -1.704 0.000 -0.174) 1.712 2.449 ( 2.314 0.000 3.014) 3.800 2.607 ( 7.095 0.000 0.259) 7.100 2.646 ( 6.860 0.000 -2.054) 7.161 2.792 ( 0.446 0.000 -3.234) 3.265 2.825 ( -0.000 0.000 2.655) 2.655 2.888 ( 3.404 0.000 -0.020) 3.404 2.928 ( -0.726 0.000 2.050) 2.175 2.990 ( 1.396 0.000 -2.052) 2.481 3.010 ( 1.424 0.000 -3.769) 4.029 3.088 ( -3.215 0.000 2.830) 4.283 3.100 ( 5.834 0.000 -0.459) 5.852 3.153 ( -1.803 0.000 -1.235) 2.185 3.207 ( -2.235 0.000 -0.988) 2.443 3.285 ( 3.639 0.000 0.800) 3.725 3.381 ( 6.134 0.000 1.910) 6.425 3.406 ( 5.530 0.000 -4.839) 7.349 3.463 ( 4.209 0.000 0.257) 4.217 3.574 ( 2.627 0.000 0.175) 2.632 3.682 ( 1.852 0.000 3.338) 3.817 3.771 ( 1.956 0.000 -1.954) 2.765 3.827 ( 7.710 0.000 -4.765) 9.064 4.052 ( 0.004 0.000 -0.065) 0.065 4.088 ( -0.065 0.000 1.571) 1.572 4.185 ( -2.883 0.000 3.056) 4.201 4.287 ( -6.002 0.000 3.060) 6.737 4.442 ( 1.575 0.000 -4.596) 4.859 4.594 ( -6.779 0.000 4.300) 8.028 4.671 ( -5.108 0.000 0.177) 5.111 4.778 ( -3.306 0.000 -2.702) 4.269 4.794 ( -3.039 0.000 -1.223) 3.276 4.899 ( 1.929 0.000 3.952) 4.397 4.960 ( -1.173 0.000 -5.010) 5.145 4.969 ( -3.261 0.000 1.004) 3.412 5.134 ( -2.877 0.000 0.412) 2.907 5.145 ( -4.473 0.000 -1.403) 4.687 5.172 ( -4.913 0.000 1.679) 5.192 5.203 ( -11.080 0.000 -1.210) 11.145 5.325 ( -13.059 0.000 0.781) 13.083 5.578 ( -10.724 0.000 1.668) 10.853 5.627 ( -10.748 0.000 0.155) 10.749 6.435 ( 1.363 0.000 -0.012) 1.363 6.511 ( 0.657 0.000 0.165) 0.677 6.607 ( 0.394 0.000 -3.862) 3.882 6.626 ( -0.015 0.000 4.468) 4.468 6.979 ( -0.330 0.000 -3.539) 3.554 7.001 ( 2.691 0.000 3.979) 4.803 7.134 ( 4.179 0.000 2.147) 4.698 7.189 ( -4.718 0.000 -2.885) 5.530 7.694 ( 0.745 0.000 -0.424) 0.857 7.924 ( -1.980 0.000 -3.295) 3.844 8.053 ( -1.735 0.000 -2.491) 3.036 8.194 ( 7.973 0.000 6.004) 9.981 8.346 ( -9.317 0.000 -3.929) 10.112 8.407 ( -1.392 0.000 3.884) 4.126 8.515 ( -3.808 0.000 4.025) 5.541 8.551 ( -1.428 0.000 -1.173) 1.848 8.574 ( -2.523 0.000 2.665) 3.670 8.724 ( 1.421 0.000 0.161) 1.431 8.785 ( -2.251 0.000 -5.249) 5.711 8.856 ( -1.669 0.000 0.159) 1.676 9.110 ( 5.029 0.000 -0.935) 5.115 9.371 ( -1.559 0.000 -1.750) 2.343 9.465 ( 10.520 0.000 0.933) 10.562 9.512 ( 7.588 0.000 -0.583) 7.610 9.778 ( 7.772 0.000 2.721) 8.235 9.796 ( 3.744 0.000 4.404) 5.780 10.036 ( -0.300 0.000 -14.361) 14.364 10.133 ( -4.315 0.000 4.189) 6.014 10.507 ( -7.522 0.000 10.466) 12.889 10.521 ( 3.416 0.000 -12.552) 13.008 11.052 ( -5.055 0.000 3.474) 6.133 11.097 ( -4.390 0.000 6.343) 7.714 11.422 ( -5.655 0.000 -4.995) 7.545 11.445 ( -7.356 0.000 -0.167) 7.358 11.580 ( -2.871 0.000 2.962) 4.125 11.815 ( -11.252 0.000 -1.338) 11.331 ======================= Grid point 137 (67/81) ======================= q-point: ( 0.46 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -2.025 0.000 0.080) 2.027 0.759 ( -3.120 0.000 -2.042) 3.729 0.920 ( 1.332 0.000 2.721) 3.029 0.972 ( -1.639 0.000 -4.458) 4.750 1.160 ( 1.623 0.000 -3.540) 3.894 1.177 ( -2.750 0.000 4.485) 5.261 1.457 ( 0.848 0.000 2.434) 2.577 1.477 ( -0.267 0.000 -0.754) 0.799 1.583 ( 4.345 0.000 -2.199) 4.870 1.592 ( 1.081 0.000 2.385) 2.618 1.646 ( 1.432 0.000 1.631) 2.170 1.663 ( 0.976 0.000 -2.680) 2.852 1.687 ( 2.908 0.000 1.622) 3.330 1.722 ( 0.048 0.000 1.102) 1.103 1.755 ( 0.837 0.000 0.378) 0.918 1.779 ( -0.138 0.000 -2.367) 2.371 1.849 ( 3.334 0.000 -0.861) 3.443 1.873 ( -0.473 0.000 2.355) 2.402 1.906 ( 2.308 0.000 0.825) 2.451 1.925 ( 0.912 0.000 0.303) 0.961 1.992 ( 2.349 0.000 0.202) 2.358 2.054 ( -2.450 0.000 -4.556) 5.173 2.061 ( 1.894 0.000 1.401) 2.356 2.098 ( 3.908 0.000 -2.290) 4.530 2.105 ( -1.626 0.000 -1.658) 2.322 2.140 ( -1.665 0.000 4.939) 5.212 2.196 ( 2.838 0.000 -2.041) 3.496 2.196 ( 1.762 0.000 0.059) 1.763 2.232 ( 4.133 0.000 1.272) 4.324 2.327 ( -3.440 0.000 -0.824) 3.537 2.359 ( 3.094 0.000 -0.018) 3.094 2.403 ( -0.384 0.000 1.216) 1.275 2.537 ( 5.417 0.000 2.715) 6.060 2.679 ( -7.702 0.000 -2.021) 7.963 2.717 ( 3.438 0.000 0.219) 3.445 2.723 ( 1.957 0.000 -0.832) 2.126 2.805 ( -0.010 0.000 3.209) 3.209 2.881 ( -3.029 0.000 -2.237) 3.766 2.968 ( 1.125 0.000 4.298) 4.442 2.978 ( 1.086 0.000 -0.833) 1.369 3.014 ( 2.236 0.000 -6.748) 7.108 3.046 ( -4.142 0.000 5.367) 6.779 3.107 ( -0.665 0.000 -2.415) 2.505 3.130 ( -3.339 0.000 0.595) 3.392 3.314 ( 11.522 0.000 -4.022) 12.204 3.389 ( 7.825 0.000 -0.820) 7.868 3.414 ( -2.390 0.000 -0.578) 2.459 3.522 ( 5.461 0.000 3.115) 6.287 3.541 ( -1.620 0.000 0.218) 1.635 3.579 ( -1.053 0.000 -1.645) 1.954 3.725 ( -0.563 0.000 5.103) 5.134 3.734 ( -1.055 0.000 -1.736) 2.031 3.942 ( 8.243 0.000 -4.395) 9.341 4.043 ( -2.076 0.000 1.460) 2.538 4.141 ( 2.128 0.000 -1.468) 2.586 4.171 ( -1.944 0.000 3.509) 4.012 4.240 ( 3.555 0.000 -2.226) 4.194 4.379 ( -9.340 0.000 2.002) 9.552 4.530 ( 1.107 0.000 -2.443) 2.683 4.575 ( -5.001 0.000 2.525) 5.602 4.700 ( -4.074 0.000 0.793) 4.150 4.700 ( -2.666 0.000 -2.218) 3.468 4.902 ( 1.464 0.000 -2.153) 2.603 4.927 ( -2.002 0.000 2.248) 3.010 4.999 ( 1.541 0.000 1.929) 2.468 5.060 ( -4.202 0.000 -2.452) 4.865 5.104 ( 1.800 0.000 -1.906) 2.622 5.126 ( 0.922 0.000 0.323) 0.977 5.141 ( -2.531 0.000 1.792) 3.101 5.167 ( -2.967 0.000 0.237) 2.977 5.431 ( -4.219 0.000 0.228) 4.225 5.461 ( -6.585 0.000 0.478) 6.602 6.470 ( 1.980 0.000 0.637) 2.080 6.506 ( -1.037 0.000 -0.865) 1.350 6.619 ( 2.553 0.000 -2.199) 3.370 6.647 ( -1.233 0.000 3.199) 3.428 6.980 ( 2.341 0.000 -1.206) 2.633 7.027 ( -1.904 0.000 1.170) 2.235 7.140 ( 0.473 0.000 -0.398) 0.618 7.167 ( -0.994 0.000 -0.261) 1.027 7.757 ( 5.573 0.000 2.588) 6.144 7.915 ( -8.071 0.000 -4.702) 9.341 7.938 ( 5.300 0.000 1.133) 5.419 8.115 ( -10.971 0.000 -2.873) 11.341 8.360 ( 5.179 0.000 0.607) 5.215 8.446 ( -5.442 0.000 3.492) 6.466 8.463 ( 5.563 0.000 5.215) 7.625 8.549 ( -1.968 0.000 2.096) 2.875 8.559 ( 1.168 0.000 -0.177) 1.182 8.644 ( -5.351 0.000 -6.807) 8.658 8.795 ( 2.873 0.000 -1.305) 3.156 8.831 ( -1.548 0.000 0.557) 1.645 9.201 ( 4.624 0.000 1.342) 4.815 9.296 ( -3.917 0.000 -3.185) 5.048 9.637 ( 4.254 0.000 2.225) 4.801 9.638 ( 5.863 0.000 0.068) 5.864 9.861 ( 1.216 0.000 -0.969) 1.555 9.867 ( 0.911 0.000 1.833) 2.047 10.007 ( 3.490 0.000 -6.709) 7.562 10.054 ( -4.887 0.000 2.333) 5.416 10.472 ( -2.949 0.000 10.848) 11.242 10.503 ( 1.498 0.000 -9.948) 10.060 11.006 ( -1.471 0.000 2.450) 2.857 11.035 ( -3.800 0.000 1.198) 3.984 11.336 ( -1.923 0.000 -1.412) 2.386 11.337 ( -3.189 0.000 0.507) 3.229 11.573 ( 0.839 0.000 3.112) 3.223 11.652 ( -5.267 0.000 -3.560) 6.357 ======================= Grid point 144 (68/81) ======================= q-point: ( 0.00 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -5.267 8.149 -4.364) 10.639 0.563 ( 5.267 8.149 4.364) 10.639 0.710 ( -4.513 8.658 0.433) 9.773 0.710 ( 4.513 8.658 -0.433) 9.773 0.909 ( -2.321 -2.303 -2.758) 4.278 0.909 ( 2.321 -2.303 2.758) 4.278 0.998 ( -3.002 -0.595 0.392) 3.086 0.998 ( 3.002 -0.595 -0.392) 3.086 1.119 ( -1.800 3.543 -12.886) 13.485 1.119 ( 1.800 3.543 12.886) 13.485 1.219 ( -0.651 1.845 -5.250) 5.602 1.219 ( 0.651 1.845 5.250) 5.602 1.356 ( -1.136 5.414 -4.193) 6.941 1.356 ( 1.136 5.414 4.193) 6.941 1.440 ( -2.681 -0.485 -1.089) 2.934 1.440 ( 2.681 -0.485 1.089) 2.934 1.471 ( -2.990 3.892 -0.742) 4.963 1.471 ( 2.990 3.892 0.742) 4.963 1.622 ( -1.053 -2.102 -3.821) 4.486 1.622 ( 1.053 -2.102 3.821) 4.486 1.668 ( 0.784 -2.813 -2.313) 3.726 1.668 ( -0.784 -2.813 2.313) 3.726 1.734 ( 0.739 1.704 -1.659) 2.490 1.734 ( -0.739 1.704 1.659) 2.490 1.763 ( -1.316 -0.161 -4.224) 4.427 1.763 ( 1.316 -0.161 4.224) 4.427 1.852 ( -1.051 3.878 -3.824) 5.547 1.852 ( 1.051 3.878 3.824) 5.547 1.925 ( 0.367 6.464 -6.769) 9.367 1.925 ( -0.367 6.464 6.769) 9.367 2.020 ( -2.277 -1.711 -4.254) 5.119 2.020 ( 2.277 -1.711 4.254) 5.119 2.145 ( 0.613 2.495 -1.156) 2.817 2.145 ( -0.613 2.495 1.156) 2.817 2.274 ( 0.480 -2.259 -2.060) 3.094 2.274 ( -0.480 -2.259 2.060) 3.094 2.400 ( -0.207 -4.819 -0.581) 4.858 2.400 ( 0.207 -4.819 0.581) 4.858 2.541 ( -2.442 -9.544 -4.610) 10.877 2.541 ( 2.442 -9.544 4.610) 10.877 2.816 ( 1.286 -1.154 -2.425) 2.978 2.816 ( -1.286 -1.154 2.425) 2.978 2.883 ( 1.090 -2.274 -2.757) 3.736 2.883 ( -1.090 -2.274 2.757) 3.736 3.305 ( -1.325 3.841 -0.732) 4.129 3.305 ( 1.325 3.841 0.732) 4.129 3.486 ( -0.067 -1.627 -2.334) 2.846 3.486 ( 0.067 -1.627 2.334) 2.846 3.898 ( -12.111 4.630 -1.322) 13.033 3.898 ( 12.111 4.630 1.322) 13.033 3.990 ( -4.756 0.858 -5.543) 7.354 3.990 ( 4.756 0.858 5.543) 7.354 4.228 ( 3.580 0.815 -2.463) 4.421 4.228 ( -3.580 0.815 2.463) 4.421 4.314 ( -5.688 -5.375 0.724) 7.859 4.314 ( 5.688 -5.375 -0.724) 7.859 4.708 ( -1.087 -1.850 -0.918) 2.334 4.708 ( 1.087 -1.850 0.918) 2.334 4.816 ( -2.358 0.165 -3.800) 4.475 4.816 ( 2.358 0.165 3.800) 4.475 5.090 ( -3.686 3.992 -0.367) 5.446 5.090 ( 3.686 3.992 0.367) 5.446 5.511 ( 2.670 0.627 -3.887) 4.757 5.511 ( -2.670 0.627 3.887) 4.757 5.566 ( 1.586 0.196 -6.375) 6.572 5.566 ( -1.586 0.196 6.375) 6.572 5.797 ( -7.111 -4.748 -1.846) 8.748 5.797 ( 7.111 -4.748 1.846) 8.748 5.916 ( -1.029 0.907 -3.012) 3.310 5.916 ( 1.029 0.907 3.012) 3.310 6.073 ( -0.162 -5.967 -4.863) 7.699 6.073 ( 0.162 -5.967 4.863) 7.699 6.432 ( -7.236 -2.202 -4.783) 8.949 6.432 ( 7.236 -2.202 4.783) 8.949 6.643 ( -5.150 -0.652 -0.703) 5.239 6.643 ( 5.150 -0.652 0.703) 5.239 6.871 ( -2.963 -0.256 -0.847) 3.092 6.871 ( 2.963 -0.256 0.847) 3.092 7.156 ( -3.769 -0.327 -0.858) 3.879 7.156 ( 3.769 -0.327 0.858) 3.879 7.354 ( 3.693 4.946 -3.368) 7.031 7.354 ( -3.693 4.946 3.368) 7.031 7.621 ( 1.953 -1.993 -2.739) 3.910 7.621 ( -1.953 -1.993 2.739) 3.910 7.858 ( -1.890 2.137 -4.594) 5.408 7.858 ( 1.890 2.137 4.594) 5.408 8.003 ( 0.425 -2.596 -2.774) 3.823 8.003 ( -0.425 -2.596 2.774) 3.823 8.416 ( 3.263 -9.457 -2.651) 10.349 8.416 ( -3.263 -9.457 2.651) 10.349 8.880 ( 1.031 -2.994 -2.711) 4.169 8.880 ( -1.031 -2.994 2.711) 4.169 9.095 ( 0.533 0.441 -3.357) 3.427 9.095 ( -0.533 0.441 3.357) 3.427 9.459 ( -2.466 0.766 -1.572) 3.023 9.459 ( 2.466 0.766 1.572) 3.023 9.594 ( -0.225 -0.996 -0.653) 1.212 9.594 ( 0.225 -0.996 0.653) 1.212 10.405 ( -4.011 7.232 -14.418) 16.622 10.405 ( 4.011 7.232 14.418) 16.622 10.746 ( 0.714 2.413 -4.376) 5.048 10.746 ( -0.714 2.413 4.376) 5.048 11.409 ( -1.134 -7.558 -5.082) 9.178 11.409 ( 1.134 -7.558 5.082) 9.178 12.294 ( -0.713 19.067 -11.629) 22.345 12.294 ( 0.713 19.067 11.629) 22.345 13.247 ( -9.518 -7.063 -5.807) 13.199 13.247 ( 9.518 -7.063 5.807) 13.199 ======================= Grid point 146 (69/81) ======================= q-point: ( 0.08 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 7.214 5.051 -6.475) 10.931 0.697 ( 4.345 7.951 3.021) 9.552 0.734 ( 9.291 11.105 -3.846) 14.982 0.856 ( 6.502 1.586 5.698) 8.790 0.946 ( 4.784 -0.564 0.647) 4.861 0.987 ( 1.632 0.099 -0.172) 1.644 1.043 ( 5.376 -2.996 -0.626) 6.186 1.109 ( 7.965 2.113 -4.273) 9.283 1.120 ( 8.585 -3.569 1.676) 9.448 1.187 ( 3.211 2.634 -1.444) 4.397 1.230 ( 1.760 4.677 2.499) 5.587 1.312 ( 3.481 3.433 -5.540) 7.389 1.360 ( 0.217 5.618 -1.061) 5.721 1.392 ( 1.990 -1.914 -5.887) 6.502 1.421 ( 10.200 3.900 5.363) 12.166 1.463 ( 5.240 0.046 -1.892) 5.571 1.528 ( 3.066 -2.003 -1.549) 3.976 1.582 ( 4.544 9.510 2.151) 10.757 1.617 ( 3.455 -2.880 -0.524) 4.528 1.654 ( 0.999 1.706 -1.215) 2.321 1.692 ( 2.781 -4.186 -2.476) 5.602 1.707 ( 2.414 -1.264 2.717) 3.848 1.726 ( 2.892 2.844 -2.582) 4.808 1.773 ( 7.681 1.337 -7.637) 10.914 1.809 ( 5.307 2.128 -1.680) 5.960 1.847 ( 3.483 1.996 -0.147) 4.017 1.872 ( 5.295 -0.198 0.540) 5.326 1.941 ( 4.985 3.491 -2.256) 6.491 1.949 ( 7.331 2.378 0.859) 7.755 1.999 ( 2.170 5.334 1.437) 5.935 2.024 ( 5.829 -0.129 2.639) 6.400 2.089 ( 2.156 0.677 5.475) 5.923 2.168 ( 2.589 3.015 1.724) 4.332 2.224 ( 6.749 2.473 2.569) 7.633 2.272 ( 0.599 -2.396 0.613) 2.544 2.302 ( 1.953 -3.233 0.031) 3.777 2.358 ( -1.176 -3.071 -0.660) 3.354 2.433 ( 0.244 -5.419 -0.685) 5.467 2.467 ( 1.379 -7.397 -1.523) 7.677 2.554 ( -3.035 -8.431 3.379) 9.576 2.786 ( -0.974 -2.324 0.019) 2.520 2.838 ( 2.012 -0.992 -0.175) 2.250 2.847 ( -1.547 -2.856 0.797) 3.344 2.898 ( 1.148 -2.667 1.124) 3.113 3.265 ( -2.053 2.938 -0.525) 3.623 3.321 ( 0.009 2.402 0.604) 2.477 3.446 ( -4.472 -1.374 1.182) 4.826 3.514 ( 1.014 -1.755 -0.898) 2.217 3.641 ( -11.477 3.250 0.036) 11.928 3.803 ( -9.830 -1.892 -5.847) 11.593 3.936 ( -9.259 1.707 -1.982) 9.621 3.954 ( -14.331 1.414 7.738) 16.348 4.176 ( -4.727 0.534 -2.072) 5.189 4.224 ( 7.082 2.171 3.975) 8.407 4.283 ( 2.617 -1.351 -1.860) 3.483 4.348 ( -2.348 -2.942 0.151) 3.768 4.717 ( 2.686 0.427 -1.757) 3.238 4.792 ( -3.387 -1.476 2.183) 4.292 4.814 ( 3.016 1.124 -1.937) 3.756 4.915 ( 2.439 -2.139 1.236) 3.471 5.009 ( -3.545 0.568 1.336) 3.831 5.100 ( -3.895 0.130 2.586) 4.677 5.348 ( -11.616 -0.563 -1.752) 11.761 5.379 ( -14.573 -2.840 2.277) 15.020 5.484 ( -5.593 2.483 2.419) 6.580 5.621 ( -5.430 -2.323 -3.413) 6.822 5.713 ( 0.916 1.564 -1.462) 2.328 5.786 ( -6.463 2.943 0.349) 7.110 5.952 ( 1.197 -1.731 0.834) 2.263 5.986 ( 5.057 1.158 4.120) 6.625 6.092 ( 4.721 -7.012 -2.785) 8.900 6.203 ( 10.006 -5.083 2.291) 11.455 6.250 ( 0.705 0.820 -5.464) 5.570 6.403 ( -3.440 -7.785 1.389) 8.624 6.741 ( -3.363 -4.077 1.651) 5.537 6.748 ( 5.195 1.035 -0.035) 5.297 6.864 ( 9.017 2.692 -1.074) 9.471 6.909 ( -0.930 -0.225 -1.078) 1.442 7.118 ( -0.775 3.204 4.063) 5.232 7.205 ( -1.424 0.471 2.524) 2.936 7.468 ( 7.889 1.307 -1.617) 8.159 7.500 ( 4.400 1.565 0.267) 4.678 7.673 ( 11.181 -0.227 0.551) 11.197 7.713 ( 10.968 -0.815 2.100) 11.197 7.868 ( 4.131 0.749 -1.100) 4.340 7.892 ( 6.930 0.805 -3.225) 7.686 8.005 ( 3.136 -1.998 2.152) 4.297 8.043 ( 2.589 -1.861 -1.017) 3.347 8.433 ( 3.325 -5.762 4.241) 7.889 8.497 ( 5.923 -12.411 -1.173) 13.802 8.884 ( 0.120 -2.457 0.757) 2.574 8.891 ( 2.191 -3.522 -4.065) 5.808 9.087 ( -0.130 -1.238 -1.174) 1.711 9.107 ( 0.440 1.769 1.001) 2.080 9.395 ( -3.561 2.726 0.076) 4.485 9.486 ( -1.205 1.247 1.969) 2.624 9.567 ( -2.656 -0.625 0.451) 2.765 9.593 ( -0.711 -1.942 1.636) 2.637 10.267 ( -2.121 13.823 -10.220) 17.321 10.563 ( 3.054 0.345 12.684) 13.051 10.720 ( -0.414 1.755 -5.183) 5.488 10.750 ( -1.691 2.688 3.067) 4.415 11.334 ( -3.778 -5.978 -3.464) 7.875 11.445 ( -0.789 -8.117 5.022) 9.578 12.092 ( -12.471 16.822 -12.871) 24.580 12.259 ( -10.511 19.316 8.970) 23.749 12.780 ( -29.250 0.071 -14.625) 32.702 13.210 ( -14.625 -10.551 5.422) 18.831 ======================= Grid point 147 (70/81) ======================= q-point: ( 0.15 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 12.727 1.597 -3.972) 13.428 0.846 ( 8.119 3.298 6.025) 10.635 0.897 ( 8.679 3.588 -4.184) 10.281 0.990 ( 4.389 0.231 3.592) 5.676 1.038 ( 3.208 2.449 2.417) 4.704 1.049 ( 4.934 -3.596 0.243) 6.110 1.154 ( 7.639 -2.388 -1.991) 8.247 1.195 ( 5.421 4.273 -2.415) 7.313 1.238 ( 2.314 -0.243 2.379) 3.328 1.290 ( 5.928 4.599 -3.198) 8.156 1.306 ( 6.174 3.285 -4.132) 8.123 1.379 ( 5.700 -0.239 -2.148) 6.096 1.380 ( 4.266 2.962 -2.476) 5.753 1.407 ( 3.834 0.966 -4.247) 5.802 1.538 ( 5.765 -3.284 0.427) 6.648 1.561 ( 2.265 -0.933 -2.992) 3.867 1.599 ( 2.412 4.604 -0.621) 5.235 1.622 ( 1.690 6.175 -0.113) 6.403 1.697 ( 2.408 2.043 -0.108) 3.159 1.725 ( 4.172 1.275 -0.111) 4.364 1.758 ( 2.633 -2.304 2.740) 4.444 1.771 ( 5.859 -1.244 -1.087) 6.087 1.834 ( 7.223 1.763 -0.750) 7.473 1.860 ( 7.271 -0.896 -3.550) 8.141 1.916 ( 7.781 0.190 -2.224) 8.094 1.947 ( 4.838 0.125 1.684) 5.125 2.003 ( 6.765 -1.176 1.610) 7.053 2.025 ( 4.108 1.816 0.879) 4.577 2.044 ( 6.114 1.658 3.400) 7.189 2.111 ( 3.099 1.297 0.338) 3.377 2.135 ( 4.188 -3.339 -0.274) 5.363 2.234 ( 9.574 0.998 2.211) 9.876 2.256 ( 5.368 4.019 1.855) 6.958 2.295 ( 2.546 -1.471 -0.946) 3.089 2.360 ( 5.833 0.308 -2.339) 6.292 2.382 ( 7.517 1.513 0.581) 7.690 2.406 ( 5.063 -1.816 1.199) 5.511 2.485 ( 6.295 -2.838 -0.790) 6.950 2.506 ( 5.115 -3.563 -0.023) 6.234 2.669 ( 13.316 -4.688 4.143) 14.713 2.799 ( 3.875 -2.595 -1.119) 4.796 2.851 ( 1.825 -1.953 1.908) 3.284 2.893 ( 2.859 -2.633 -1.674) 4.232 2.966 ( 6.613 -2.051 1.318) 7.048 3.223 ( -1.737 1.630 -1.804) 2.988 3.309 ( -5.789 -1.258 0.434) 5.940 3.332 ( -2.061 2.253 -0.183) 3.059 3.455 ( -7.969 5.088 0.350) 9.461 3.513 ( -1.714 -6.160 -3.309) 7.200 3.595 ( -10.014 -2.313 0.759) 10.306 3.727 ( -9.920 3.784 1.897) 10.785 3.762 ( -8.291 1.488 -0.656) 8.449 4.028 ( -8.630 2.078 -1.748) 9.047 4.218 ( -6.717 -4.406 1.818) 8.236 4.366 ( 3.783 1.246 3.203) 5.112 4.410 ( 5.587 0.377 -1.749) 5.867 4.646 ( -10.765 0.831 4.378) 11.651 4.692 ( -5.037 2.295 1.034) 5.631 4.742 ( -9.690 0.030 -0.315) 9.695 4.896 ( -3.686 -2.706 -0.015) 4.573 4.964 ( -1.810 -1.391 0.379) 2.315 4.998 ( -12.111 -3.099 0.149) 12.502 5.125 ( -8.688 -0.988 -0.318) 8.750 5.173 ( -5.415 -1.345 1.678) 5.826 5.330 ( -9.726 0.708 -1.946) 9.943 5.364 ( -12.715 0.109 -0.518) 12.726 5.640 ( -6.405 1.854 -0.259) 6.673 5.752 ( -3.786 1.482 -1.828) 4.457 5.929 ( -8.501 -3.147 1.948) 9.272 6.063 ( -4.996 -7.286 -3.237) 9.409 6.088 ( 2.046 3.834 1.622) 4.639 6.292 ( 0.369 -2.671 1.340) 3.011 6.375 ( -0.829 -2.022 2.795) 3.548 6.409 ( 8.732 -1.197 -0.140) 8.815 6.657 ( -5.412 -1.620 0.160) 5.651 6.774 ( -7.131 2.620 -2.732) 8.074 6.883 ( 3.064 -1.946 1.118) 3.798 6.941 ( 0.062 1.736 -1.470) 2.276 7.188 ( -0.738 5.470 3.896) 6.756 7.245 ( 6.695 -0.270 7.603) 10.134 7.433 ( 5.150 0.365 -2.013) 5.542 7.633 ( 4.142 -2.975 -2.271) 5.583 7.849 ( 3.305 -1.478 -3.764) 5.222 7.921 ( 10.537 -3.139 2.752) 11.334 7.982 ( 8.356 0.898 -0.965) 8.459 8.092 ( 7.367 2.128 1.747) 7.865 8.130 ( 13.359 -2.916 -0.059) 13.673 8.315 ( 22.756 -2.101 5.082) 23.412 8.564 ( 5.966 -5.016 3.289) 8.460 8.627 ( 9.032 -8.109 2.113) 12.321 8.883 ( -0.331 -2.458 -1.092) 2.710 8.908 ( 1.786 -4.211 -3.536) 5.782 9.062 ( -2.556 0.251 0.617) 2.641 9.104 ( -1.040 1.533 -3.066) 3.582 9.332 ( -3.550 4.968 1.170) 6.217 9.451 ( -2.958 2.786 2.967) 5.031 9.511 ( -3.214 -0.972 0.845) 3.463 9.593 ( -0.462 -3.020 1.956) 3.628 10.208 ( -0.013 16.009 -3.612) 16.411 10.622 ( -2.272 2.770 -2.000) 4.103 10.674 ( -1.117 -1.409 -4.762) 5.090 10.709 ( -3.368 0.795 2.535) 4.290 11.227 ( -5.501 -3.196 -2.838) 6.966 11.448 ( -1.852 -8.220 5.445) 10.032 11.727 ( -15.447 15.363 -11.966) 24.856 12.052 ( -14.629 16.508 4.759) 22.565 12.216 ( -19.621 0.309 -11.909) 22.955 12.863 ( -24.068 -11.280 4.971) 27.041 ======================= Grid point 148 (71/81) ======================= q-point: ( 0.23 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 7.604 1.754 -1.313) 7.914 0.986 ( 3.277 -1.728 -2.389) 4.409 1.006 ( 3.208 0.337 4.048) 5.176 1.061 ( 3.876 4.735 -3.147) 6.881 1.086 ( 2.158 -0.833 -0.555) 2.379 1.134 ( 2.146 -0.285 2.682) 3.447 1.225 ( 3.668 1.150 -2.281) 4.470 1.267 ( 0.578 -0.074 -1.044) 1.195 1.330 ( 4.517 -1.692 1.437) 5.033 1.358 ( 5.560 0.491 -2.012) 5.933 1.400 ( 7.953 3.503 -2.060) 8.931 1.448 ( 3.662 1.553 -0.153) 3.981 1.495 ( 5.342 -1.971 -2.383) 6.173 1.514 ( 9.461 2.019 -2.271) 9.937 1.588 ( 3.550 -0.258 -1.115) 3.730 1.624 ( 2.537 1.886 -0.098) 3.163 1.665 ( 3.443 4.802 3.160) 6.701 1.669 ( 2.020 0.879 0.953) 2.401 1.740 ( 3.987 0.454 4.323) 5.898 1.796 ( 4.138 -1.323 -1.488) 4.593 1.807 ( 2.516 -1.329 -0.069) 2.847 1.873 ( 4.374 -5.301 1.554) 7.046 1.922 ( 4.780 0.678 -2.248) 5.325 1.967 ( 4.336 -0.439 -0.886) 4.447 1.995 ( 0.606 1.164 3.367) 3.614 2.033 ( 1.315 2.480 1.731) 3.298 2.089 ( 6.153 2.330 -0.851) 6.634 2.146 ( 1.640 0.284 -0.295) 1.691 2.163 ( 3.422 -0.986 -0.072) 3.562 2.185 ( 7.792 -1.151 0.695) 7.908 2.217 ( 4.945 -3.802 -1.015) 6.319 2.266 ( 0.601 -2.726 -0.382) 2.818 2.343 ( 2.889 0.245 -1.354) 3.200 2.411 ( 4.626 0.867 2.026) 5.124 2.435 ( 4.117 1.182 -3.091) 5.282 2.511 ( 6.902 -2.091 0.728) 7.249 2.576 ( 9.926 -1.676 -1.749) 10.217 2.615 ( 7.838 1.254 -0.190) 7.940 2.681 ( 11.197 2.460 0.889) 11.498 2.881 ( 4.237 -3.961 -0.899) 5.869 2.939 ( 6.872 -3.836 -0.196) 7.873 2.968 ( 9.020 4.282 1.465) 10.092 3.011 ( 14.341 -3.139 0.402) 14.686 3.126 ( 6.371 -0.795 0.487) 6.439 3.177 ( -0.154 0.334 -2.807) 2.831 3.214 ( -2.457 -0.928 1.664) 3.109 3.329 ( -0.671 -0.222 -0.964) 1.196 3.341 ( -2.035 5.324 -1.622) 5.926 3.416 ( -4.290 -1.020 0.308) 4.420 3.485 ( -2.539 -4.153 -2.135) 5.315 3.614 ( -2.952 2.550 2.043) 4.403 3.655 ( -2.502 1.209 0.040) 2.779 3.857 ( -8.402 3.051 -1.094) 9.006 4.096 ( -6.528 -5.302 0.026) 8.410 4.320 ( -9.877 0.495 3.542) 10.504 4.432 ( -5.702 -2.126 0.299) 6.092 4.526 ( -4.957 1.776 -0.072) 5.266 4.574 ( -8.646 4.031 4.875) 10.713 4.626 ( 2.367 0.356 -0.743) 2.507 4.787 ( -6.315 0.196 0.465) 6.335 4.822 ( -4.644 -3.816 -0.901) 6.078 4.886 ( -6.087 -3.669 1.633) 7.292 5.002 ( -4.259 2.199 -2.121) 5.242 5.106 ( -5.333 -1.777 -0.375) 5.634 5.165 ( -5.536 1.712 -0.952) 5.872 5.231 ( -2.870 0.132 1.367) 3.182 5.472 ( -11.234 1.361 -0.666) 11.335 5.614 ( -9.228 2.550 -1.495) 9.689 5.691 ( -15.197 -6.167 -0.516) 16.409 5.864 ( -13.812 -7.604 -0.525) 15.776 6.028 ( -10.084 5.234 4.059) 12.065 6.173 ( -16.680 1.059 1.701) 16.800 6.367 ( 4.720 3.394 -1.235) 5.943 6.543 ( -1.980 -2.401 0.498) 3.152 6.580 ( 2.341 -1.683 1.731) 3.363 6.679 ( -1.628 -3.218 -4.366) 5.663 6.841 ( -0.953 3.746 -0.219) 3.872 6.967 ( -0.076 -2.541 1.559) 2.983 7.143 ( -2.202 6.345 -3.488) 7.568 7.377 ( -0.547 -4.173 2.446) 4.868 7.623 ( 13.236 3.316 5.924) 14.875 7.726 ( 3.115 3.247 -0.932) 4.595 7.932 ( 9.655 -4.314 0.184) 10.577 7.984 ( 1.128 -4.271 -2.102) 4.892 8.151 ( 6.679 -0.424 -0.799) 6.740 8.280 ( 9.579 -3.689 2.375) 10.536 8.389 ( 11.034 0.320 2.364) 11.289 8.639 ( 5.297 -8.196 0.091) 9.759 8.680 ( 6.865 2.210 1.810) 7.436 8.811 ( 1.432 -4.093 1.711) 4.662 8.861 ( -0.098 -1.802 0.915) 2.023 8.895 ( -1.628 -2.702 -0.350) 3.174 9.025 ( 0.404 1.816 1.042) 2.132 9.055 ( 1.513 2.751 -2.690) 4.135 9.293 ( -0.028 4.274 -0.116) 4.276 9.448 ( 1.010 3.891 2.197) 4.581 9.486 ( 0.552 -1.455 1.556) 2.201 9.607 ( 0.832 -3.847 2.502) 4.664 10.210 ( 0.236 12.794 2.371) 13.014 10.473 ( -5.871 7.326 -15.748) 18.334 10.595 ( -0.292 -0.815 -13.003) 13.031 10.675 ( -5.080 -3.331 6.882) 9.179 11.120 ( -4.944 0.335 1.531) 5.187 11.449 ( -3.000 -3.436 5.282) 6.979 11.462 ( -7.619 6.076 -2.292) 10.011 11.804 ( -11.864 3.089 -4.936) 13.216 11.889 ( -12.567 5.534 0.699) 13.749 12.428 ( -23.834 -9.649 2.574) 25.842 ======================= Grid point 149 (72/81) ======================= q-point: ( 0.31 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -1.243 2.581 0.701) 2.949 0.950 ( -4.247 1.866 -1.834) 4.988 1.037 ( -2.699 3.278 -2.151) 4.759 1.104 ( 3.662 -1.620 -2.984) 4.994 1.113 ( -1.989 -0.810 -3.183) 3.840 1.135 ( 3.245 1.594 0.623) 3.668 1.293 ( 3.779 -0.360 0.878) 3.897 1.337 ( 6.008 -0.207 2.209) 6.404 1.396 ( 2.099 -3.421 1.224) 4.196 1.450 ( 3.717 -3.090 1.768) 5.146 1.531 ( 5.503 2.304 1.224) 6.090 1.540 ( 6.231 0.417 -0.009) 6.245 1.574 ( 4.559 1.001 -1.099) 4.795 1.645 ( 4.334 -1.339 -0.841) 4.613 1.656 ( 3.532 0.625 -0.748) 3.664 1.697 ( 6.461 3.279 -0.277) 7.251 1.712 ( 1.515 3.585 0.204) 3.898 1.743 ( 5.625 0.832 0.952) 5.765 1.837 ( 2.585 -1.763 -1.340) 3.404 1.842 ( 2.733 -4.059 -0.630) 4.934 1.888 ( 3.287 -1.305 4.872) 6.020 1.943 ( 2.375 -3.364 3.438) 5.364 1.971 ( 0.564 0.184 2.382) 2.454 2.009 ( 0.386 -0.491 0.247) 0.672 2.037 ( 2.973 1.191 0.392) 3.227 2.070 ( 3.063 2.364 -0.617) 3.919 2.146 ( 0.819 1.555 -2.705) 3.226 2.168 ( 1.281 1.539 -1.723) 2.642 2.225 ( 3.197 0.553 0.703) 3.320 2.243 ( 3.421 1.272 -1.082) 3.807 2.301 ( 0.904 -3.021 -0.284) 3.166 2.351 ( 7.679 -3.467 -0.319) 8.431 2.389 ( 2.350 -0.458 1.561) 2.858 2.420 ( -0.048 -1.619 0.187) 1.631 2.555 ( 8.477 2.465 -2.998) 9.323 2.648 ( 8.150 -1.572 -2.371) 8.632 2.718 ( 6.398 -3.136 0.239) 7.129 2.758 ( 6.739 0.097 -0.322) 6.747 2.857 ( 6.410 -1.128 -0.588) 6.535 2.970 ( 5.206 -5.650 0.340) 7.690 3.021 ( 3.013 1.585 0.805) 3.499 3.076 ( 1.013 3.671 -0.602) 3.856 3.105 ( -1.804 0.679 1.701) 2.571 3.157 ( -0.720 -1.379 -0.833) 1.764 3.211 ( 0.180 -0.935 0.652) 1.154 3.246 ( -0.866 -1.691 1.045) 2.168 3.333 ( 3.423 1.636 -1.131) 3.959 3.346 ( 3.292 2.188 -1.997) 4.429 3.442 ( 4.409 2.070 -2.947) 5.693 3.486 ( 5.980 -1.148 -0.313) 6.097 3.667 ( 6.284 0.276 0.610) 6.319 3.680 ( 3.118 0.132 1.327) 3.391 3.738 ( -0.087 3.860 -2.412) 4.553 3.995 ( -3.161 -6.094 -1.066) 6.947 4.166 ( -7.563 1.061 3.236) 8.295 4.271 ( -7.942 -1.863 1.366) 8.271 4.443 ( -7.870 4.188 4.728) 10.091 4.476 ( -0.869 1.871 -3.629) 4.175 4.677 ( -0.648 -1.606 0.564) 1.821 4.686 ( -5.772 -1.158 2.083) 6.245 4.788 ( 1.114 -1.041 0.254) 1.546 4.838 ( 0.766 -1.807 0.598) 2.052 4.902 ( -4.979 2.569 -1.483) 5.795 5.007 ( -3.730 -2.217 -1.737) 4.673 5.086 ( -3.678 4.150 -0.065) 5.545 5.204 ( -1.882 -0.789 0.795) 2.190 5.250 ( -10.139 0.546 -1.673) 10.291 5.393 ( -14.974 -0.870 0.702) 15.015 5.407 ( -12.709 -1.896 -1.227) 12.908 5.574 ( -16.229 -4.134 -0.076) 16.747 5.820 ( -13.136 3.072 3.071) 13.836 5.870 ( -15.020 1.121 0.249) 15.063 6.425 ( 1.982 1.806 -1.420) 3.034 6.510 ( -0.605 0.280 0.842) 1.074 6.604 ( -1.202 -1.605 2.503) 3.207 6.624 ( -1.236 -2.312 -3.402) 4.295 6.894 ( 3.739 0.701 2.470) 4.536 6.997 ( 2.859 -3.022 2.515) 4.861 7.093 ( -0.770 6.069 -3.179) 6.895 7.300 ( -5.514 -2.842 -2.340) 6.630 7.730 ( -0.234 3.259 -2.727) 4.256 7.913 ( 6.454 -0.749 5.106) 8.264 7.947 ( 3.582 0.012 0.004) 3.582 8.134 ( 7.114 0.258 -2.922) 7.695 8.263 ( 5.681 -3.303 4.687) 8.072 8.386 ( 0.712 -8.478 -0.678) 8.535 8.538 ( 2.284 3.479 4.056) 5.811 8.648 ( -6.707 0.328 -3.561) 7.601 8.678 ( -2.275 -0.225 -0.017) 2.286 8.706 ( -4.740 -1.832 1.238) 5.230 8.846 ( -1.803 -1.780 0.092) 2.535 8.856 ( -2.613 -0.337 -2.018) 3.319 9.082 ( 4.251 3.497 0.870) 5.573 9.209 ( 9.283 -2.160 2.656) 9.894 9.349 ( 5.669 2.994 -0.334) 6.420 9.489 ( 2.942 2.763 -1.126) 4.190 9.578 ( 7.362 -1.162 2.915) 8.003 9.661 ( 3.251 -3.725 2.610) 5.591 10.223 ( -1.199 7.940 0.073) 8.030 10.283 ( -3.463 8.337 -12.358) 15.305 10.518 ( 0.230 -2.419 -11.991) 12.235 10.598 ( -6.748 -2.019 5.437) 8.898 11.060 ( -3.923 1.555 5.193) 6.692 11.319 ( -7.153 9.653 2.712) 12.317 11.431 ( -4.752 -9.857 5.920) 12.442 11.572 ( -8.066 -2.517 -8.192) 11.769 11.719 ( -7.604 6.040 2.195) 9.956 12.039 ( -18.223 -6.565 0.646) 19.380 ======================= Grid point 150 (73/81) ======================= q-point: ( 0.38 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -4.307 2.693 -1.754) 5.374 0.885 ( -3.943 1.201 0.280) 4.131 0.936 ( -3.918 2.920 -2.425) 5.455 1.030 ( -3.656 -0.910 -3.652) 5.247 1.157 ( 3.201 1.080 -2.106) 3.981 1.208 ( 1.842 1.147 2.385) 3.224 1.365 ( 2.041 -1.889 2.193) 3.542 1.424 ( 0.398 -3.009 1.545) 3.406 1.461 ( 6.163 -1.227 1.056) 6.372 1.531 ( 3.665 -1.450 1.363) 4.171 1.619 ( 2.583 0.425 -0.217) 2.627 1.637 ( 4.260 1.292 1.541) 4.711 1.652 ( 4.641 1.219 -1.299) 4.971 1.705 ( 3.915 -1.686 -1.421) 4.493 1.722 ( 2.742 3.450 -0.434) 4.428 1.745 ( 2.511 -0.328 1.064) 2.747 1.814 ( 1.718 -0.570 -0.984) 2.060 1.824 ( 5.383 2.207 0.859) 5.881 1.859 ( 1.257 -1.430 0.555) 1.983 1.916 ( 3.129 -0.998 -1.134) 3.474 1.923 ( 1.942 -0.054 0.468) 1.999 1.987 ( 0.099 -1.578 2.696) 3.125 2.025 ( 2.433 -0.832 -1.757) 3.115 2.048 ( 3.211 -1.751 4.965) 6.167 2.087 ( 2.743 0.113 -0.091) 2.747 2.120 ( 2.763 0.833 -1.646) 3.322 2.143 ( 0.816 -0.111 -1.762) 1.945 2.170 ( 0.155 0.244 -0.049) 0.293 2.244 ( -0.703 2.055 -1.218) 2.490 2.302 ( 0.574 -2.288 -1.354) 2.720 2.339 ( 4.132 2.845 0.899) 5.097 2.407 ( 2.763 -1.129 2.518) 3.905 2.426 ( 0.956 0.215 0.817) 1.275 2.538 ( 8.226 -4.353 0.731) 9.336 2.672 ( 5.189 0.636 -1.744) 5.511 2.751 ( 1.504 -2.731 0.210) 3.124 2.802 ( 2.390 -2.868 0.763) 3.810 2.845 ( 1.467 0.111 0.021) 1.472 2.939 ( 3.931 -0.710 -1.619) 4.311 2.996 ( -2.123 -0.627 -3.231) 3.917 3.058 ( -4.612 -0.337 0.986) 4.729 3.069 ( -0.192 2.538 -0.049) 2.546 3.120 ( 4.640 1.460 0.981) 4.962 3.133 ( 1.443 -3.152 -0.769) 3.551 3.184 ( -0.165 -1.597 -0.971) 1.876 3.259 ( 2.895 -1.600 0.902) 3.429 3.333 ( 3.598 1.047 -1.191) 3.932 3.457 ( 3.766 -1.236 -0.830) 4.049 3.503 ( 3.878 4.577 -1.521) 6.189 3.593 ( 4.099 0.920 -0.793) 4.276 3.713 ( 1.867 2.421 3.299) 4.498 3.769 ( 0.781 -0.094 0.787) 1.113 3.838 ( 8.451 1.410 -4.875) 9.858 3.986 ( 2.808 -4.510 -1.522) 5.526 4.104 ( -0.078 1.633 1.387) 2.144 4.195 ( -1.181 -1.343 1.290) 2.205 4.330 ( -7.412 4.603 4.775) 9.946 4.447 ( -0.688 0.054 -3.083) 3.159 4.578 ( -6.612 -1.263 3.901) 7.780 4.628 ( -4.281 -3.356 -1.037) 5.538 4.769 ( -3.927 1.010 -0.461) 4.081 4.836 ( -0.693 1.930 -2.419) 3.171 4.888 ( -1.274 -1.257 2.117) 2.772 4.938 ( -0.312 -1.887 -3.692) 4.158 5.022 ( -3.417 4.274 1.284) 5.621 5.106 ( -4.989 -0.620 0.348) 5.039 5.152 ( -4.799 -1.274 -0.807) 5.030 5.172 ( -6.758 -2.470 0.104) 7.196 5.202 ( -5.710 2.763 -0.111) 6.345 5.304 ( -11.656 -1.865 0.548) 11.818 5.599 ( -11.435 1.618 1.200) 11.612 5.629 ( -11.112 0.131 0.353) 11.119 6.444 ( 1.512 1.074 -0.830) 2.032 6.513 ( 0.480 -0.444 -0.585) 0.877 6.594 ( 0.408 -0.702 -1.364) 1.587 6.617 ( -0.100 -0.834 3.650) 3.745 6.963 ( 2.374 0.341 -0.247) 2.411 7.041 ( 0.238 0.154 0.453) 0.535 7.112 ( 2.548 0.525 0.984) 2.782 7.197 ( -3.286 -0.245 -1.120) 3.481 7.709 ( 0.218 1.727 -1.008) 2.011 7.861 ( -1.991 -4.805 -3.434) 6.233 8.100 ( -0.976 3.755 -0.684) 3.940 8.222 ( 6.905 2.201 3.680) 8.128 8.301 ( -8.402 -3.559 -1.925) 9.326 8.389 ( 3.431 -2.746 5.258) 6.852 8.482 ( -4.456 -0.463 -0.989) 4.588 8.559 ( -3.318 0.533 2.639) 4.273 8.614 ( -1.741 1.762 0.601) 2.549 8.702 ( 0.522 -2.152 0.940) 2.406 8.783 ( -2.942 -0.120 -5.166) 5.946 8.808 ( -1.589 -2.326 -1.176) 3.053 9.170 ( 4.353 4.386 1.551) 6.372 9.355 ( 4.539 -4.460 -0.660) 6.397 9.441 ( 3.464 3.808 1.742) 5.434 9.572 ( 6.660 2.172 -0.958) 7.071 9.729 ( 4.917 -3.638 0.694) 6.156 9.759 ( 6.922 -2.913 1.201) 7.606 10.136 ( 0.340 8.651 -13.014) 15.631 10.231 ( -4.192 7.499 5.856) 10.397 10.470 ( 1.049 -4.284 -7.780) 8.943 10.506 ( -5.842 -1.310 4.611) 7.557 11.025 ( -3.246 1.476 5.168) 6.279 11.199 ( -8.386 5.138 3.955) 10.600 11.358 ( -4.673 -5.842 3.752) 8.369 11.416 ( -4.909 -1.466 -4.545) 6.849 11.610 ( -4.883 2.455 0.048) 5.465 11.771 ( -10.387 -4.112 -1.481) 11.269 ======================= Grid point 151 (74/81) ======================= q-point: ( 0.46 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -1.345 3.324 -0.613) 3.637 0.799 ( -3.246 3.590 -1.075) 4.958 0.909 ( 0.648 -1.250 0.788) 1.613 0.951 ( -2.673 -2.107 -2.204) 4.055 1.196 ( 2.502 3.359 -2.276) 4.766 1.222 ( -1.591 3.427 2.570) 4.570 1.401 ( 1.130 -3.358 1.149) 3.724 1.423 ( -0.920 -3.550 0.496) 3.701 1.570 ( 4.101 -1.229 -0.595) 4.323 1.588 ( 1.323 -0.774 0.745) 1.704 1.664 ( 2.016 0.922 0.548) 2.283 1.686 ( 0.326 1.310 -1.346) 1.907 1.707 ( 2.769 -0.152 2.065) 3.458 1.755 ( 0.858 1.416 -1.951) 2.559 1.773 ( 1.748 3.238 0.513) 3.715 1.783 ( 0.473 0.368 -0.903) 1.084 1.828 ( 2.491 -1.515 -0.007) 2.916 1.867 ( -0.961 -1.280 1.357) 2.098 1.918 ( 2.325 1.060 1.971) 3.227 1.935 ( 1.110 1.191 -1.139) 1.987 1.962 ( 0.681 -0.428 0.845) 1.166 1.988 ( -0.900 -2.565 -1.448) 3.080 2.069 ( 3.351 -2.049 -2.509) 4.661 2.097 ( 0.879 -2.027 0.995) 2.423 2.116 ( -0.167 -1.008 -0.180) 1.038 2.136 ( -1.503 -0.675 2.566) 3.049 2.168 ( 1.727 -1.096 -0.943) 2.252 2.185 ( 0.657 -0.356 0.104) 0.755 2.234 ( 1.565 1.124 0.322) 1.954 2.284 ( -1.784 -1.439 -0.602) 2.369 2.405 ( 3.673 2.810 -1.942) 5.016 2.437 ( -0.683 0.688 1.912) 2.144 2.529 ( 7.740 1.358 1.142) 7.941 2.665 ( 0.499 -1.688 -0.478) 1.824 2.703 ( -1.503 -0.607 0.777) 1.798 2.733 ( 0.721 0.017 0.408) 0.828 2.787 ( -2.340 -0.326 2.504) 3.442 2.834 ( -1.710 -3.331 -2.114) 4.300 2.936 ( -3.051 -4.628 3.469) 6.539 2.943 ( -0.461 -3.852 -4.186) 5.707 3.032 ( 3.019 3.950 -2.163) 5.422 3.056 ( -1.642 1.766 2.098) 3.196 3.129 ( 0.285 0.705 1.021) 1.273 3.173 ( -1.018 1.952 -2.166) 3.088 3.280 ( 7.894 -1.073 -1.718) 8.150 3.323 ( 3.060 -2.759 -0.947) 4.228 3.442 ( 4.103 -1.868 -0.678) 4.559 3.459 ( 0.483 -1.756 0.161) 1.828 3.593 ( 2.654 1.845 1.328) 3.495 3.618 ( -0.487 1.419 -0.659) 1.638 3.719 ( -1.688 0.993 0.758) 2.100 3.746 ( -2.096 1.105 1.927) 3.054 3.974 ( 8.428 2.556 -3.506) 9.479 4.041 ( 1.722 -0.487 -0.620) 1.894 4.147 ( 3.360 1.269 -0.860) 3.693 4.219 ( -3.040 0.193 1.056) 3.224 4.228 ( 1.095 2.323 1.303) 2.880 4.361 ( -9.228 -1.768 2.739) 9.787 4.512 ( 0.082 -1.225 -2.015) 2.359 4.544 ( -3.964 -2.454 1.023) 4.773 4.713 ( -1.442 2.207 1.284) 2.933 4.753 ( -4.238 3.610 -2.634) 6.159 4.858 ( 0.712 -3.617 -0.036) 3.687 4.906 ( -3.436 -2.642 -0.857) 4.418 4.985 ( 0.134 -0.389 1.500) 1.556 5.037 ( -4.788 -1.890 -1.141) 5.272 5.119 ( 3.772 1.523 0.581) 4.109 5.144 ( 0.249 1.443 -0.106) 1.468 5.167 ( -0.840 1.353 0.475) 1.662 5.177 ( -1.998 0.705 -0.129) 2.122 5.438 ( -4.917 0.664 0.039) 4.962 5.461 ( -6.602 -0.105 0.429) 6.617 6.479 ( 2.121 0.879 0.259) 2.311 6.511 ( -0.661 0.214 -0.658) 0.957 6.608 ( 1.884 -0.825 -1.287) 2.426 6.632 ( -1.136 -1.359 2.520) 3.081 6.995 ( 2.533 1.488 -0.775) 3.038 7.040 ( -1.473 0.769 0.576) 1.759 7.128 ( 0.525 -0.708 -0.244) 0.915 7.160 ( -1.894 -0.828 -0.323) 2.092 7.762 ( 5.018 0.638 2.302) 5.558 7.849 ( 0.416 -3.620 -0.932) 3.761 7.999 ( -3.246 3.251 -2.194) 5.091 8.100 ( -9.896 -1.503 -2.870) 10.413 8.356 ( 4.201 0.178 2.231) 4.760 8.425 ( -2.830 -1.374 0.161) 3.151 8.488 ( 4.641 0.542 5.245) 7.025 8.554 ( 0.138 2.830 3.673) 4.639 8.577 ( -1.702 -0.222 -0.902) 1.939 8.654 ( -4.672 0.817 -5.899) 7.569 8.750 ( 1.897 -3.615 -0.848) 4.170 8.779 ( -1.149 -3.399 -0.497) 3.622 9.262 ( 3.955 4.780 2.864) 6.834 9.345 ( -2.427 3.517 -3.562) 5.563 9.550 ( 5.250 -4.151 3.618) 7.608 9.634 ( -0.668 -3.592 -2.294) 4.314 9.813 ( 4.950 -0.748 -0.620) 5.044 9.856 ( 1.442 -1.632 0.123) 2.181 10.119 ( 3.878 9.022 -6.864) 11.981 10.172 ( -5.070 8.371 4.913) 10.951 10.451 ( -4.161 -2.779 10.230) 11.388 10.454 ( 2.357 -4.097 -10.360) 11.387 11.012 ( -0.237 1.440 2.936) 3.279 11.071 ( -5.722 1.780 0.324) 6.001 11.320 ( -1.600 -0.987 2.365) 3.021 11.333 ( -1.900 -0.335 -1.375) 2.369 11.559 ( -0.389 -0.944 1.611) 1.907 11.618 ( -4.760 -2.988 -3.328) 6.532 ======================= Grid point 158 (75/81) ======================= q-point: ( 0.00 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 41 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 0.000 0.000) 0.000 0.692 ( 0.000 0.000 0.000) 0.000 0.785 ( -0.000 0.000 -0.000) 0.000 0.785 ( 0.000 0.000 0.000) 0.000 0.867 ( 0.000 -0.000 0.000) 0.000 0.867 ( 0.000 0.000 0.000) 0.000 0.998 ( -0.000 0.000 0.000) 0.000 0.998 ( 0.000 0.000 0.000) 0.000 1.205 ( 0.000 -0.000 -0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.227 ( -0.000 0.000 -0.000) 0.000 1.227 ( -0.000 0.000 0.000) 0.000 1.427 ( -0.000 0.000 0.000) 0.000 1.427 ( -0.000 0.000 0.000) 0.000 1.466 ( 0.000 -0.000 0.000) 0.000 1.466 ( 0.000 0.000 0.000) 0.000 1.474 ( -0.000 -0.000 -0.000) 0.000 1.474 ( -0.000 0.000 -0.000) 0.000 1.600 ( -0.000 -0.000 -0.000) 0.000 1.600 ( -0.000 0.000 -0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 0.000) 0.000 1.725 ( -0.000 0.000 -0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.839 ( -0.000 -0.000 -0.000) 0.000 1.839 ( 0.000 -0.000 0.000) 0.000 1.840 ( -0.000 0.000 -0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 2.037 ( -0.000 -0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.040 ( -0.000 0.000 -0.000) 0.000 2.040 ( 0.000 -0.000 -0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.156 ( -0.000 0.000 0.000) 0.000 2.254 ( -0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.354 ( -0.000 0.000 0.000) 0.000 2.354 ( -0.000 0.000 0.000) 0.000 2.375 ( 0.000 -0.000 -0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 -0.000) 0.000 2.828 ( -0.000 0.000 0.000) 0.000 2.829 ( 0.000 -0.000 -0.000) 0.000 2.829 ( -0.000 -0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.984 ( -0.000 -0.000 -0.000) 0.000 3.984 ( 0.000 0.000 -0.000) 0.000 3.985 ( -0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.206 ( -0.000 0.000 0.000) 0.000 4.206 ( -0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 -0.000) 0.000 4.265 ( -0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.814 ( -0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 5.136 ( -0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 -0.000) 0.000 5.536 ( -0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 -0.000) 0.000 5.556 ( -0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 5.966 ( 0.000 -0.000 -0.000) 0.000 5.966 ( -0.000 -0.000 0.000) 0.000 5.971 ( 0.000 0.000 -0.000) 0.000 5.971 ( -0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.631 ( -0.000 0.000 0.000) 0.000 6.631 ( 0.000 0.000 0.000) 0.000 6.885 ( -0.000 0.000 0.000) 0.000 6.885 ( -0.000 0.000 0.000) 0.000 7.147 ( -0.000 0.000 0.000) 0.000 7.147 ( -0.000 0.000 0.000) 0.000 7.427 ( -0.000 0.000 0.000) 0.000 7.427 ( -0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 -0.000 0.000) 0.000 7.961 ( -0.000 0.000 -0.000) 0.000 7.961 ( -0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.848 ( -0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.466 ( -0.000 0.000 0.000) 0.000 9.466 ( -0.000 0.000 0.000) 0.000 9.582 ( -0.000 0.000 0.000) 0.000 9.582 ( 0.000 0.000 0.000) 0.000 10.475 ( 0.000 0.000 0.000) 0.000 10.475 ( -0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 10.779 ( -0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 12.530 ( 0.000 0.000 -0.000) 0.000 12.530 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (76/81) ======================= q-point: ( 0.08 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 4.460 -9.960 -4.192) 11.691 0.687 ( 4.460 9.960 -4.192) 11.691 0.886 ( 4.108 -7.329 3.402) 9.065 0.886 ( 4.108 7.329 3.402) 9.065 0.935 ( 6.350 -4.042 0.683) 7.558 0.935 ( 6.350 4.042 0.683) 7.558 1.038 ( 3.694 -3.049 0.709) 4.842 1.038 ( 3.694 3.049 0.709) 4.842 1.205 ( 4.907 -3.734 -1.665) 6.387 1.205 ( 4.907 3.734 -1.665) 6.387 1.326 ( 4.602 -4.463 -0.500) 6.430 1.326 ( 4.602 4.463 -0.500) 6.430 1.397 ( 1.306 -3.709 -5.397) 6.678 1.397 ( 1.306 3.709 -5.397) 6.678 1.464 ( 1.478 -2.484 -2.203) 3.634 1.464 ( 1.478 2.484 -2.203) 3.634 1.565 ( 6.337 -2.473 1.297) 6.925 1.565 ( 6.337 2.473 1.297) 6.925 1.612 ( 4.912 -2.406 1.555) 5.687 1.612 ( 4.912 2.406 1.555) 5.687 1.676 ( 3.207 -0.505 1.886) 3.755 1.676 ( 3.207 0.505 1.886) 3.755 1.791 ( 5.989 -2.664 -1.168) 6.658 1.791 ( 5.989 2.664 -1.168) 6.658 1.854 ( 4.244 -3.981 -7.167) 9.232 1.854 ( 4.244 3.981 -7.167) 9.232 1.918 ( 4.873 -3.448 1.330) 6.116 1.918 ( 4.873 3.448 1.330) 6.116 2.016 ( 3.550 -1.917 -0.363) 4.051 2.016 ( 3.550 1.917 -0.363) 4.051 2.140 ( 1.262 -3.509 4.208) 5.622 2.140 ( 1.262 3.509 4.208) 5.622 2.198 ( 5.573 -2.891 4.981) 8.014 2.198 ( 5.573 2.891 4.981) 8.014 2.264 ( 2.074 -0.484 -0.664) 2.231 2.264 ( 2.074 0.484 -0.664) 2.231 2.340 ( 1.555 -2.285 -1.157) 2.996 2.340 ( 1.555 2.285 -1.157) 2.996 2.383 ( 0.212 -2.606 -0.039) 2.615 2.383 ( 0.212 2.606 -0.039) 2.615 2.781 ( -1.783 -1.979 -0.225) 2.673 2.781 ( -1.783 1.979 -0.225) 2.673 2.847 ( 1.153 -1.861 1.050) 2.428 2.847 ( 1.153 1.861 1.050) 2.428 3.329 ( -2.493 -2.071 0.386) 3.263 3.329 ( -2.493 2.071 0.386) 3.263 3.453 ( -1.047 -2.522 -0.896) 2.874 3.453 ( -1.047 2.522 -0.896) 2.874 3.731 ( -11.909 -4.728 -3.155) 13.195 3.731 ( -11.909 4.728 -3.155) 13.195 3.963 ( -11.022 -0.654 3.689) 11.641 3.963 ( -11.022 0.654 3.689) 11.641 4.228 ( -4.262 -3.847 -0.449) 5.759 4.228 ( -4.262 3.847 -0.449) 5.759 4.279 ( 6.739 -3.267 0.101) 7.490 4.279 ( 6.739 3.267 0.101) 7.490 4.743 ( 2.500 -2.165 -0.526) 3.349 4.743 ( 2.500 2.165 -0.526) 3.349 4.861 ( 1.369 -2.829 -0.014) 3.143 4.861 ( 1.369 2.829 -0.014) 3.143 5.063 ( -6.898 -3.416 1.071) 7.771 5.063 ( -6.898 3.416 1.071) 7.771 5.343 ( -13.436 -0.618 0.688) 13.467 5.343 ( -13.436 0.618 0.688) 13.467 5.547 ( -6.198 -3.837 -0.001) 7.290 5.547 ( -6.198 3.837 -0.001) 7.290 5.794 ( -0.050 -3.956 -2.343) 4.598 5.794 ( -0.050 3.956 -2.343) 4.598 5.943 ( 1.553 -2.671 1.275) 3.342 5.943 ( 1.553 2.671 1.275) 3.342 6.071 ( 7.119 -5.668 4.856) 10.314 6.071 ( 7.119 5.668 4.856) 10.314 6.304 ( 0.536 -3.525 -2.946) 4.625 6.304 ( 0.536 3.525 -2.946) 4.625 6.718 ( 0.554 -1.680 1.014) 2.039 6.718 ( 0.554 1.680 1.014) 2.039 6.911 ( 4.242 -1.048 -0.490) 4.396 6.911 ( 4.242 1.048 -0.490) 4.396 7.176 ( 0.215 -2.565 1.931) 3.218 7.176 ( 0.215 2.565 1.931) 3.218 7.507 ( 5.789 -1.444 -0.462) 5.984 7.507 ( 5.789 1.444 -0.462) 5.984 7.682 ( 6.674 -1.718 0.290) 6.898 7.682 ( 6.674 1.718 0.290) 6.898 7.889 ( 8.191 -1.071 -2.872) 8.746 7.889 ( 8.191 1.071 -2.872) 8.746 8.001 ( 3.168 -1.549 0.786) 3.613 8.001 ( 3.168 1.549 0.786) 3.613 8.360 ( 4.820 -0.812 3.774) 6.176 8.360 ( 4.820 0.812 3.774) 6.176 8.857 ( 0.983 -0.464 -1.068) 1.524 8.857 ( 0.983 0.464 -1.068) 1.524 9.108 ( -0.289 -1.713 -1.432) 2.251 9.108 ( -0.289 1.713 -1.432) 2.251 9.467 ( -0.643 -3.251 0.891) 3.432 9.467 ( -0.643 3.251 0.891) 3.432 9.562 ( -2.331 -0.530 1.164) 2.659 9.562 ( -2.331 0.530 1.164) 2.659 10.487 ( 0.986 -7.571 0.517) 7.652 10.487 ( 0.986 7.571 0.517) 7.652 10.763 ( -1.025 -1.593 -2.400) 3.057 10.763 ( -1.025 1.593 -2.400) 3.057 11.314 ( -2.109 -3.829 2.442) 5.007 11.314 ( -2.109 3.829 2.442) 5.007 12.372 ( -12.674 -8.301 -10.885) 18.655 12.372 ( -12.674 8.301 -10.885) 18.655 12.940 ( -20.812 -14.808 5.672) 26.165 12.940 ( -20.812 14.808 5.672) 26.165 ======================= Grid point 164 (77/81) ======================= q-point: ( 0.15 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 8.221 -7.755 -2.724) 11.625 0.794 ( 8.221 7.755 -2.724) 11.625 0.976 ( 3.326 -4.326 2.564) 6.029 0.976 ( 3.326 4.326 2.564) 6.029 1.060 ( 6.901 -5.150 0.663) 8.636 1.060 ( 6.901 5.150 0.663) 8.636 1.126 ( 4.157 -6.123 2.872) 7.939 1.126 ( 4.157 6.123 2.872) 7.939 1.305 ( 5.946 -2.550 -5.857) 8.727 1.305 ( 5.946 2.550 -5.857) 8.727 1.400 ( 5.165 -1.469 -2.541) 5.940 1.400 ( 5.165 1.469 -2.541) 5.940 1.433 ( 3.764 -4.933 0.035) 6.205 1.433 ( 3.764 4.933 0.035) 6.205 1.488 ( 2.706 -4.053 -1.822) 5.203 1.488 ( 2.706 4.053 -1.822) 5.203 1.654 ( 4.176 -2.823 -0.458) 5.061 1.654 ( 4.176 2.823 -0.458) 5.061 1.713 ( 2.519 -3.214 -1.296) 4.284 1.713 ( 2.519 3.214 -1.296) 4.284 1.773 ( 3.988 -0.529 1.179) 4.193 1.773 ( 3.988 0.529 1.179) 4.193 1.889 ( 3.837 -2.242 -2.930) 5.323 1.889 ( 3.837 2.242 -2.930) 5.323 1.916 ( 7.179 -4.431 1.539) 8.576 1.916 ( 7.179 4.431 1.539) 8.576 2.009 ( 5.459 -3.004 -0.065) 6.231 2.009 ( 5.459 3.004 -0.065) 6.231 2.085 ( 3.365 -1.397 -0.479) 3.675 2.085 ( 3.365 1.397 -0.479) 3.675 2.192 ( 1.800 -4.807 3.849) 6.415 2.192 ( 1.800 4.807 3.849) 6.415 2.295 ( 2.820 -1.068 1.859) 3.542 2.295 ( 2.820 1.068 1.859) 3.542 2.363 ( 5.450 -2.622 -0.720) 6.091 2.363 ( 5.450 2.622 -0.720) 6.091 2.426 ( 8.877 -2.695 -2.794) 9.689 2.426 ( 8.877 2.695 -2.794) 9.689 2.525 ( 15.385 -6.809 2.618) 17.027 2.525 ( 15.385 6.809 2.618) 17.027 2.805 ( 3.809 -2.699 -0.423) 4.687 2.805 ( 3.809 2.699 -0.423) 4.687 2.901 ( 5.105 -3.336 1.181) 6.211 2.901 ( 5.105 3.336 1.181) 6.211 3.276 ( -3.610 -2.593 -0.124) 4.446 3.276 ( -3.610 2.593 -0.124) 4.446 3.392 ( -3.394 -4.649 -2.860) 6.427 3.392 ( -3.394 4.649 -2.860) 6.427 3.546 ( -7.408 -3.341 0.341) 8.134 3.546 ( -7.408 3.341 0.341) 8.134 3.773 ( -9.461 -0.677 0.976) 9.535 3.773 ( -9.461 0.677 0.976) 9.535 4.107 ( -7.847 -5.601 0.723) 9.668 4.107 ( -7.847 5.601 0.723) 9.668 4.399 ( 4.858 -1.429 -0.776) 5.123 4.399 ( 4.858 1.429 -0.776) 5.123 4.678 ( -10.086 -2.091 4.542) 11.257 4.678 ( -10.086 2.091 4.542) 11.257 4.813 ( -4.048 -5.219 -1.563) 6.787 4.813 ( -4.048 5.219 -1.563) 6.787 4.950 ( -7.704 -1.182 0.744) 7.830 4.950 ( -7.704 1.182 0.744) 7.830 5.138 ( -6.246 -1.800 -0.542) 6.523 5.138 ( -6.246 1.800 -0.542) 6.523 5.351 ( -10.584 -1.114 -1.029) 10.692 5.351 ( -10.584 1.114 -1.029) 10.692 5.711 ( -6.291 -4.525 -0.556) 7.769 5.711 ( -6.291 4.525 -0.556) 7.769 5.941 ( -7.467 -4.220 -0.846) 8.618 5.941 ( -7.467 4.220 -0.846) 8.618 6.181 ( 2.882 -5.757 2.984) 7.096 6.181 ( 2.882 5.757 2.984) 7.096 6.386 ( 5.516 -1.758 0.009) 5.789 6.386 ( 5.516 1.758 0.009) 5.789 6.700 ( -4.292 -5.280 0.096) 6.805 6.700 ( -4.292 5.280 0.096) 6.805 6.935 ( -1.033 -2.723 -0.718) 3.000 6.935 ( -1.033 2.723 -0.718) 3.000 7.242 ( 3.766 -0.390 7.409) 8.320 7.242 ( 3.766 0.390 7.409) 8.320 7.514 ( 3.833 -7.130 -5.247) 9.647 7.514 ( 3.833 7.130 -5.247) 9.647 7.859 ( 6.714 -2.407 0.385) 7.143 7.859 ( 6.714 2.407 0.385) 7.143 8.024 ( 7.809 -3.405 -1.880) 8.724 8.024 ( 7.809 3.405 -1.880) 8.724 8.217 ( 16.255 -6.317 0.903) 17.462 8.217 ( 16.255 6.317 0.903) 17.462 8.535 ( 10.368 -2.576 6.551) 12.532 8.535 ( 10.368 2.576 6.551) 12.532 8.861 ( 0.152 -0.652 -1.506) 1.648 8.861 ( 0.152 0.652 -1.506) 1.648 9.091 ( -0.950 -1.993 -1.665) 2.765 9.091 ( -0.950 1.993 -1.665) 2.765 9.437 ( -2.396 -3.777 -0.890) 4.560 9.437 ( -2.396 3.777 -0.890) 4.560 9.527 ( -2.184 -2.677 3.202) 4.711 9.527 ( -2.184 2.677 3.202) 4.711 10.499 ( -0.824 -11.654 0.835) 11.713 10.499 ( -0.824 11.654 0.835) 11.713 10.708 ( -1.799 -2.321 -7.241) 7.813 10.708 ( -1.799 2.321 -7.241) 7.813 11.277 ( -3.695 -7.253 4.282) 9.197 11.277 ( -3.695 7.253 4.282) 9.197 12.004 ( -16.453 -11.214 -11.991) 23.243 12.004 ( -16.453 11.214 -11.991) 23.243 12.544 ( -23.638 -20.046 6.207) 31.609 12.544 ( -23.638 20.046 6.207) 31.609 ======================= Grid point 166 (78/81) ======================= q-point: ( 0.23 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 7.228 -3.631 -0.961) 8.145 0.932 ( 7.228 3.631 -0.961) 8.145 1.025 ( 0.813 -1.698 -0.522) 1.954 1.025 ( 0.813 1.698 -0.522) 1.954 1.181 ( 2.910 -0.489 1.022) 3.123 1.181 ( 2.910 0.489 1.022) 3.123 1.215 ( 5.043 -2.541 1.949) 5.974 1.215 ( 5.043 2.541 1.949) 5.974 1.338 ( 0.849 -2.231 -4.067) 4.715 1.338 ( 0.849 2.231 -4.067) 4.715 1.454 ( 4.299 -2.468 -0.938) 5.045 1.454 ( 4.299 2.468 -0.938) 5.045 1.535 ( 3.602 -4.963 -0.746) 6.178 1.535 ( 3.602 4.963 -0.746) 6.178 1.558 ( 8.091 -4.165 -0.670) 9.125 1.558 ( 8.091 4.165 -0.670) 9.125 1.716 ( 2.021 -1.651 0.709) 2.705 1.716 ( 2.021 1.651 0.709) 2.705 1.769 ( 2.509 -2.437 2.019) 4.038 1.769 ( 2.509 2.437 2.019) 4.038 1.805 ( 2.284 -2.230 -0.446) 3.223 1.805 ( 2.284 2.230 -0.446) 3.223 1.955 ( 3.547 -1.217 -0.110) 3.752 1.955 ( 3.547 1.217 -0.110) 3.752 2.041 ( 3.124 -2.998 1.204) 4.495 2.041 ( 3.124 2.998 1.204) 4.495 2.101 ( 4.751 -2.012 2.851) 5.894 2.101 ( 4.751 2.012 2.851) 5.894 2.163 ( 5.512 -0.372 -2.744) 6.168 2.163 ( 5.512 0.372 -2.744) 6.168 2.221 ( 1.201 -2.465 -1.642) 3.196 2.221 ( 1.201 2.465 -1.642) 3.196 2.384 ( 3.093 -3.421 1.933) 5.001 2.384 ( 3.093 3.421 1.933) 5.001 2.467 ( 8.046 -2.089 -1.259) 8.408 2.467 ( 8.046 2.089 -1.259) 8.408 2.578 ( 7.180 -3.341 -1.416) 8.045 2.578 ( 7.180 3.341 -1.416) 8.045 2.782 ( 7.841 -6.412 0.096) 10.130 2.782 ( 7.841 6.412 0.096) 10.130 2.923 ( 10.471 -3.743 -0.329) 11.125 2.923 ( 10.471 3.743 -0.329) 11.125 3.077 ( 10.787 -4.239 1.168) 11.649 3.077 ( 10.787 4.239 1.168) 11.649 3.196 ( -3.895 -1.095 0.228) 4.052 3.196 ( -3.895 1.095 0.228) 4.052 3.350 ( 0.902 -3.009 -2.039) 3.745 3.350 ( 0.902 3.009 -2.039) 3.745 3.434 ( -3.809 -3.143 -1.063) 5.051 3.434 ( -3.809 3.143 -1.063) 5.051 3.654 ( -3.531 -1.170 1.058) 3.867 3.654 ( -3.531 1.170 1.058) 3.867 3.960 ( -7.671 -6.932 0.125) 10.340 3.960 ( -7.671 6.932 0.125) 10.340 4.371 ( -8.482 -3.524 1.616) 9.326 4.371 ( -8.482 3.524 1.616) 9.326 4.565 ( -2.949 -2.098 0.309) 3.633 4.565 ( -2.949 2.098 0.309) 3.633 4.724 ( -3.527 -6.119 1.042) 7.139 4.724 ( -3.527 6.119 1.042) 7.139 4.811 ( -6.081 -2.554 1.465) 6.756 4.811 ( -6.081 2.554 1.465) 6.756 5.055 ( -3.880 -2.764 -2.645) 5.449 5.055 ( -3.880 2.764 -2.645) 5.449 5.213 ( -4.183 -1.941 0.925) 4.703 5.213 ( -4.183 1.941 0.925) 4.703 5.535 ( -12.105 -5.177 -0.737) 13.186 5.535 ( -12.105 5.177 -0.737) 13.186 5.731 ( -12.446 -5.673 -0.720) 13.697 5.731 ( -12.446 5.673 -0.720) 13.697 6.126 ( -11.781 -4.342 3.088) 12.930 6.126 ( -11.781 4.342 3.088) 12.930 6.462 ( 2.894 -4.982 -1.002) 5.848 6.462 ( 2.894 4.982 -1.002) 5.848 6.604 ( -2.384 -3.142 -1.220) 4.129 6.604 ( -2.384 3.142 -1.220) 4.129 6.913 ( -1.152 -3.134 1.267) 3.571 6.913 ( -1.152 3.134 1.267) 3.571 7.271 ( -1.645 -6.183 -1.499) 6.571 7.271 ( -1.645 6.183 -1.499) 6.571 7.720 ( 13.157 -5.121 6.678) 15.618 7.720 ( 13.157 5.121 6.678) 15.618 7.895 ( 1.527 -3.042 -3.487) 4.873 7.895 ( 1.527 3.042 -3.487) 4.873 8.180 ( 7.369 -3.485 -1.527) 8.294 8.180 ( 7.369 3.485 -1.527) 8.294 8.485 ( 10.905 -6.814 2.185) 13.043 8.485 ( 10.905 6.814 2.185) 13.043 8.741 ( 3.810 -3.157 1.813) 5.270 8.741 ( 3.810 3.157 1.813) 5.270 8.849 ( -0.344 -0.978 1.304) 1.666 8.849 ( -0.344 0.978 1.304) 1.666 9.065 ( 0.991 -1.426 -0.733) 1.885 9.065 ( 0.991 1.426 -0.733) 1.885 9.400 ( 0.015 -5.081 -0.958) 5.171 9.400 ( 0.015 5.081 -0.958) 5.171 9.532 ( 0.825 -3.286 3.059) 4.565 9.532 ( 0.825 3.286 3.059) 4.565 10.453 ( -3.235 -9.580 -3.233) 10.616 10.453 ( -3.235 9.580 -3.233) 10.616 10.615 ( -2.864 -3.058 -7.936) 8.974 10.615 ( -2.864 3.058 -7.936) 8.974 11.241 ( -3.649 -10.279 6.495) 12.695 11.241 ( -3.649 10.279 6.495) 12.695 11.685 ( -11.570 -9.772 -6.160) 16.349 11.685 ( -11.570 9.772 -6.160) 16.349 12.167 ( -19.335 -15.605 3.147) 25.045 12.167 ( -19.335 15.605 3.147) 25.045 ======================= Grid point 168 (79/81) ======================= q-point: ( 0.31 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -4.064 -1.169 0.683) 4.283 0.971 ( -4.064 1.169 0.683) 4.283 1.059 ( 4.211 -0.408 -3.124) 5.259 1.059 ( 4.211 0.408 -3.124) 5.259 1.156 ( -2.181 -2.276 -2.388) 3.955 1.156 ( -2.181 2.276 -2.388) 3.955 1.318 ( 4.090 -2.052 0.821) 4.649 1.318 ( 4.090 2.052 0.821) 4.649 1.369 ( 3.540 -2.935 2.993) 5.486 1.369 ( 3.540 2.935 2.993) 5.486 1.555 ( 4.905 -1.535 0.516) 5.165 1.555 ( 4.905 1.535 0.516) 5.165 1.599 ( 4.487 -2.926 -0.791) 5.415 1.599 ( 4.487 2.926 -0.791) 5.415 1.704 ( 5.660 -3.931 0.152) 6.893 1.704 ( 5.660 3.931 0.152) 6.893 1.756 ( 4.142 -1.665 -2.014) 4.898 1.756 ( 4.142 1.665 -2.014) 4.898 1.798 ( 1.433 -1.730 0.130) 2.250 1.798 ( 1.433 1.730 0.130) 2.250 1.884 ( 3.351 -1.365 4.188) 5.535 1.884 ( 3.351 1.365 4.188) 5.535 1.993 ( 0.273 -1.244 1.759) 2.172 1.993 ( 0.273 1.244 1.759) 2.172 2.080 ( 2.202 -1.953 -0.801) 3.050 2.080 ( 2.202 1.953 -0.801) 3.050 2.172 ( 0.352 -0.630 -1.920) 2.051 2.172 ( 0.352 0.630 -1.920) 2.051 2.243 ( 4.504 -1.837 -0.232) 4.870 2.243 ( 4.504 1.837 -0.232) 4.870 2.284 ( 5.969 -1.530 0.746) 6.207 2.284 ( 5.969 1.530 0.746) 6.207 2.401 ( -0.256 -1.304 -0.255) 1.354 2.401 ( -0.256 1.304 -0.255) 1.354 2.607 ( 7.158 -2.733 -1.818) 7.875 2.607 ( 7.158 2.733 -1.818) 7.875 2.711 ( 7.183 -2.996 -0.188) 7.785 2.711 ( 7.183 2.996 -0.188) 7.785 2.873 ( 4.607 -3.563 -0.730) 5.870 2.873 ( 4.607 3.563 -0.730) 5.870 3.080 ( 3.528 -3.129 -0.662) 4.762 3.080 ( 3.528 3.129 -0.662) 4.762 3.128 ( -1.224 -1.447 0.507) 1.962 3.128 ( -1.224 1.447 0.507) 1.962 3.216 ( -0.664 -1.565 2.540) 3.057 3.216 ( -0.664 1.565 2.540) 3.057 3.358 ( 1.777 -0.827 -1.762) 2.636 3.358 ( 1.777 0.827 -1.762) 2.636 3.471 ( 7.883 -1.161 -3.060) 8.536 3.471 ( 7.883 1.161 -3.060) 8.536 3.673 ( 4.506 -0.459 1.289) 4.709 3.673 ( 4.506 0.459 1.289) 4.709 3.855 ( -2.055 -7.124 -0.831) 7.461 3.855 ( -2.055 7.124 -0.831) 7.461 4.215 ( -7.561 -3.181 2.085) 8.464 4.215 ( -7.561 3.181 2.085) 8.464 4.499 ( -3.646 -0.457 -0.851) 3.772 4.499 ( -3.646 0.457 -0.851) 3.772 4.661 ( -5.737 -0.673 2.972) 6.496 4.661 ( -5.737 0.673 2.972) 6.496 4.795 ( 2.966 -1.744 0.497) 3.476 4.795 ( 2.966 1.744 0.497) 3.476 4.958 ( -4.221 -2.698 -2.561) 5.626 4.958 ( -4.221 2.698 -2.561) 5.626 5.167 ( -2.502 -3.166 0.810) 4.115 5.167 ( -2.502 3.166 0.810) 4.115 5.288 ( -12.278 -3.875 -0.831) 12.902 5.288 ( -12.278 3.875 -0.831) 12.902 5.485 ( -13.649 -4.539 -0.340) 14.388 5.485 ( -13.649 4.539 -0.340) 14.388 5.868 ( -15.017 -1.402 1.638) 15.171 5.868 ( -15.017 1.402 1.638) 15.171 6.480 ( 0.653 -3.121 -2.165) 3.854 6.480 ( 0.653 3.121 -2.165) 3.854 6.591 ( -0.451 -0.880 1.524) 1.817 6.591 ( -0.451 0.880 1.524) 1.817 6.933 ( 2.427 -2.940 2.121) 4.363 6.933 ( 2.427 2.940 2.121) 4.363 7.214 ( -2.692 -5.553 -2.228) 6.561 7.214 ( -2.692 5.553 -2.228) 6.561 7.819 ( -1.313 -5.326 -3.232) 6.367 7.819 ( -1.313 5.326 -3.232) 6.367 8.051 ( 10.627 -6.901 6.615) 14.294 8.051 ( 10.627 6.901 6.615) 14.294 8.266 ( 3.356 -3.628 -1.968) 5.319 8.266 ( 3.356 3.628 -1.968) 5.319 8.617 ( -0.698 -3.698 1.842) 4.190 8.617 ( -0.698 3.698 1.842) 4.190 8.672 ( -4.351 -0.203 -0.683) 4.409 8.672 ( -4.351 0.203 -0.683) 4.409 8.842 ( -1.796 -0.800 -1.213) 2.310 8.842 ( -1.796 0.800 -1.213) 2.310 9.150 ( 5.333 -3.327 2.522) 6.773 9.150 ( 5.333 3.327 2.522) 6.773 9.452 ( 5.399 -5.392 0.553) 7.650 9.452 ( 5.399 5.392 0.553) 7.650 9.594 ( 4.451 -2.575 0.637) 5.182 9.594 ( 4.451 2.575 0.637) 5.182 10.363 ( -2.138 -3.621 -7.812) 8.872 10.363 ( -2.138 3.621 -7.812) 8.872 10.518 ( -4.135 -4.520 -2.397) 6.578 10.518 ( -4.135 4.520 -2.397) 6.578 11.205 ( -5.151 -11.312 7.575) 14.556 11.205 ( -5.151 11.312 7.575) 14.556 11.484 ( -7.570 -6.399 -2.813) 10.304 11.484 ( -7.570 6.399 -2.813) 10.304 11.874 ( -13.124 -8.989 0.534) 15.916 11.874 ( -13.124 8.989 0.534) 15.916 ======================= Grid point 170 (80/81) ======================= q-point: ( 0.38 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -3.638 -1.263 -0.353) 3.867 0.891 ( -3.638 1.263 -0.353) 3.867 0.994 ( -5.389 -2.518 -3.202) 6.755 0.994 ( -5.389 2.518 -3.202) 6.755 1.200 ( 4.315 -2.264 -0.325) 4.884 1.200 ( 4.315 2.264 -0.325) 4.884 1.370 ( 0.569 -1.865 1.645) 2.551 1.370 ( 0.569 1.865 1.645) 2.551 1.472 ( 5.432 -3.071 1.545) 6.428 1.472 ( 5.432 3.071 1.545) 6.428 1.627 ( 3.517 -1.195 -0.192) 3.719 1.627 ( 3.517 1.195 -0.192) 3.719 1.682 ( 3.769 -0.908 -1.016) 4.007 1.682 ( 3.769 0.908 -1.016) 4.007 1.756 ( 1.748 -1.283 2.012) 2.958 1.756 ( 1.748 1.283 2.012) 2.958 1.820 ( 2.223 -1.774 -1.844) 3.389 1.820 ( 2.223 1.774 -1.844) 3.389 1.870 ( 5.581 -2.324 -0.166) 6.047 1.870 ( 5.581 2.324 -0.166) 6.047 1.957 ( 1.320 -2.405 1.988) 3.388 1.957 ( 1.320 2.405 1.988) 3.388 2.022 ( 2.213 -0.635 2.265) 3.230 2.022 ( 2.213 0.635 2.265) 3.230 2.106 ( 0.818 -1.378 -2.148) 2.680 2.106 ( 0.818 1.378 -2.148) 2.680 2.162 ( 0.342 -1.257 0.230) 1.323 2.162 ( 0.342 1.257 0.230) 1.323 2.265 ( -1.256 -0.794 -0.279) 1.512 2.265 ( -1.256 0.794 -0.279) 1.512 2.380 ( 4.127 -0.895 -1.913) 4.636 2.380 ( 4.127 0.895 -1.913) 4.636 2.467 ( 6.432 -2.761 3.042) 7.632 2.467 ( 6.432 2.761 3.042) 7.632 2.690 ( 2.125 -2.343 -0.209) 3.170 2.690 ( 2.125 2.343 -0.209) 3.170 2.813 ( 3.408 -2.929 -0.552) 4.527 2.813 ( 3.408 2.929 -0.552) 4.527 2.964 ( 2.026 -2.828 -0.277) 3.489 2.964 ( 2.026 2.828 -0.277) 3.489 3.049 ( -2.010 -2.582 -2.036) 3.854 3.049 ( -2.010 2.582 -2.036) 3.854 3.122 ( -0.036 -1.440 -0.462) 1.513 3.122 ( -0.036 1.440 -0.462) 1.513 3.212 ( 2.382 -3.309 1.885) 4.492 3.212 ( 2.382 3.309 1.885) 4.492 3.402 ( 2.942 -4.070 -2.074) 5.433 3.402 ( 2.942 4.070 -2.074) 5.433 3.575 ( 3.503 -2.632 -1.213) 4.547 3.575 ( 3.503 2.632 -1.213) 4.547 3.756 ( 1.788 -1.586 2.909) 3.765 3.756 ( 1.788 1.586 2.909) 3.765 3.898 ( 6.715 -4.198 -3.663) 8.726 3.898 ( 6.715 4.198 -3.663) 8.726 4.149 ( -0.406 -2.620 1.199) 2.910 4.149 ( -0.406 2.620 1.199) 2.910 4.420 ( -5.663 -3.277 2.366) 6.958 4.420 ( -5.663 3.277 2.366) 6.958 4.573 ( -4.623 -1.451 0.287) 4.854 4.573 ( -4.623 1.451 0.287) 4.854 4.816 ( -2.630 -3.139 -0.229) 4.101 4.816 ( -2.630 3.139 -0.229) 4.101 4.896 ( -0.845 -2.028 -2.010) 2.978 4.896 ( -0.845 2.028 -2.010) 2.978 5.107 ( -3.538 -3.642 0.916) 5.159 5.107 ( -3.538 3.642 0.916) 5.159 5.121 ( -5.578 -1.734 -0.290) 5.848 5.121 ( -5.578 1.734 -0.290) 5.848 5.258 ( -8.290 -2.651 -0.051) 8.704 5.258 ( -8.290 2.651 -0.051) 8.704 5.625 ( -11.642 -0.741 0.684) 11.685 5.625 ( -11.642 0.741 0.684) 11.685 6.480 ( 1.142 -2.298 -1.808) 3.140 6.480 ( 1.142 2.298 -1.808) 3.140 6.598 ( -0.049 -0.897 2.309) 2.477 6.598 ( -0.049 0.897 2.309) 2.477 6.997 ( 2.569 -2.719 0.126) 3.743 6.997 ( 2.569 2.719 0.126) 3.743 7.165 ( -1.586 -2.842 0.111) 3.257 7.165 ( -1.586 2.842 0.111) 3.257 7.768 ( -1.060 -4.082 -2.402) 4.854 7.768 ( -1.060 4.082 -2.402) 4.854 8.187 ( -1.630 -4.714 -0.419) 5.005 8.187 ( -1.630 4.714 -0.419) 5.005 8.312 ( 3.314 -3.961 3.398) 6.181 8.312 ( 3.314 3.961 3.398) 6.181 8.519 ( -3.303 -3.184 0.099) 4.589 8.519 ( -3.303 3.184 0.099) 4.589 8.658 ( -1.546 -2.334 1.731) 3.292 8.658 ( -1.546 2.334 1.731) 3.292 8.785 ( -2.405 -0.433 -3.573) 4.329 8.785 ( -2.405 0.433 -3.573) 4.329 9.260 ( 4.722 -4.622 2.912) 7.221 9.260 ( 4.722 4.622 2.912) 7.221 9.543 ( 2.684 -4.915 -0.625) 5.634 9.543 ( 2.684 4.915 -0.625) 5.634 9.706 ( 7.497 -1.798 -0.649) 7.737 9.706 ( 7.497 1.798 -0.649) 7.737 10.298 ( -0.114 -5.243 -6.332) 8.222 10.298 ( -0.114 5.243 -6.332) 8.222 10.435 ( -4.174 -4.360 1.115) 6.138 10.435 ( -4.174 4.360 1.115) 6.138 11.135 ( -6.342 -8.235 5.586) 11.800 11.135 ( -6.342 8.235 5.586) 11.800 11.364 ( -4.365 -3.883 0.184) 5.845 11.364 ( -4.365 3.883 0.184) 5.845 11.678 ( -7.831 -4.458 -1.749) 9.179 11.678 ( -7.831 4.458 -1.749) 9.179 ======================= Grid point 172 (81/81) ======================= q-point: ( 0.46 -0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 79 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -0.643 -2.112 -0.141) 2.212 0.849 ( -0.643 2.112 -0.141) 2.212 0.894 ( -3.074 -2.675 -1.353) 4.293 0.894 ( -3.074 2.675 -1.353) 4.293 1.256 ( 1.554 -1.238 0.045) 1.987 1.256 ( 1.554 1.238 0.045) 1.987 1.373 ( -0.487 -0.946 0.793) 1.327 1.373 ( -0.487 0.946 0.793) 1.327 1.562 ( 2.903 -1.035 -0.124) 3.084 1.562 ( 2.903 1.035 -0.124) 3.084 1.682 ( 1.514 -1.037 -0.051) 1.835 1.682 ( 1.514 1.037 -0.051) 1.835 1.731 ( 3.666 -2.445 -0.741) 4.468 1.731 ( 3.666 2.445 -0.741) 4.468 1.798 ( -1.045 -1.848 1.623) 2.672 1.798 ( -1.045 1.848 1.623) 2.672 1.839 ( 1.459 -1.784 -0.655) 2.396 1.839 ( 1.459 1.784 -0.655) 2.396 1.946 ( 2.146 -1.642 0.378) 2.729 1.946 ( 2.146 1.642 0.378) 2.729 1.963 ( -0.193 -0.996 -0.574) 1.166 1.963 ( -0.193 0.996 -0.574) 1.166 2.055 ( -0.518 -1.556 1.068) 1.957 2.055 ( -0.518 1.556 1.068) 1.957 2.099 ( 0.179 -0.934 -0.561) 1.104 2.099 ( 0.179 0.934 -0.561) 1.104 2.166 ( -0.555 -0.972 0.483) 1.219 2.166 ( -0.555 0.972 0.483) 1.219 2.273 ( 2.002 -1.383 0.010) 2.434 2.273 ( 2.002 1.383 0.010) 2.434 2.430 ( 2.245 -0.251 -1.647) 2.796 2.430 ( 2.245 0.251 -1.647) 2.796 2.613 ( 6.284 -5.347 2.623) 8.658 2.613 ( 6.284 5.347 2.623) 8.658 2.692 ( -1.671 -2.661 0.641) 3.207 2.692 ( -1.671 2.661 0.641) 3.207 2.829 ( -1.620 -4.653 0.791) 4.990 2.829 ( -1.620 4.653 0.791) 4.990 2.857 ( -4.774 -4.266 -2.612) 6.915 2.857 ( -4.774 4.266 -2.612) 6.915 3.103 ( 0.223 -2.267 0.733) 2.393 3.103 ( 0.223 2.267 0.733) 2.393 3.130 ( 3.595 -4.565 -1.185) 5.931 3.130 ( 3.595 4.565 -1.185) 5.931 3.307 ( 4.815 -2.108 -0.462) 5.277 3.307 ( 4.815 2.108 -0.462) 5.277 3.414 ( -0.664 -2.292 -0.867) 2.539 3.414 ( -0.664 2.292 -0.867) 2.539 3.618 ( 2.026 -0.879 0.445) 2.253 3.618 ( 2.026 0.879 0.445) 2.253 3.753 ( -2.428 -0.981 1.003) 2.805 3.753 ( -2.428 0.981 1.003) 2.805 4.020 ( 6.639 -1.705 -2.280) 7.223 4.020 ( 6.639 1.705 -2.280) 7.223 4.183 ( 3.253 -2.047 -1.188) 4.023 4.183 ( 3.253 2.047 -1.188) 4.023 4.307 ( -8.009 -3.616 4.243) 9.758 4.307 ( -8.009 3.616 4.243) 9.758 4.505 ( -1.883 -0.890 -0.983) 2.303 4.505 ( -1.883 0.890 -0.983) 2.303 4.776 ( -0.255 -3.837 0.952) 3.962 4.776 ( -0.255 3.837 0.952) 3.962 4.833 ( -3.672 -3.992 -2.293) 5.888 4.833 ( -3.672 3.992 -2.293) 5.888 4.999 ( -3.656 -1.582 0.311) 3.996 4.999 ( -3.656 1.582 0.311) 3.996 5.150 ( 3.303 -0.933 0.832) 3.531 5.150 ( 3.303 0.933 0.832) 3.531 5.184 ( -1.285 -0.196 -0.321) 1.338 5.184 ( -1.285 0.196 -0.321) 1.338 5.453 ( -6.117 -0.659 0.124) 6.154 5.453 ( -6.117 0.659 0.124) 6.154 6.502 ( 1.334 -1.130 -0.403) 1.794 6.502 ( 1.334 1.130 -0.403) 1.794 6.606 ( -0.259 -0.841 0.856) 1.227 6.606 ( -0.259 0.841 0.856) 1.227 7.031 ( 1.665 -1.669 -0.215) 2.367 7.031 ( 1.665 1.669 -0.215) 2.367 7.135 ( -1.936 -1.372 -0.203) 2.382 7.135 ( -1.936 1.372 -0.203) 2.382 7.789 ( 3.329 -2.216 1.038) 4.132 7.789 ( 3.329 2.216 1.038) 4.132 8.058 ( -6.841 -2.616 -2.843) 7.857 8.058 ( -6.841 2.616 -2.843) 7.857 8.381 ( 1.146 -2.242 2.003) 3.217 8.381 ( 1.146 2.242 2.003) 3.217 8.529 ( 1.928 -3.023 1.830) 4.025 8.529 ( 1.928 3.023 1.830) 4.025 8.631 ( -1.749 -3.323 0.137) 3.757 8.631 ( -1.749 3.323 0.137) 3.757 8.726 ( -1.235 -1.599 -2.549) 3.252 8.726 ( -1.235 1.599 -2.549) 3.252 9.353 ( 2.800 -3.398 2.325) 4.979 9.353 ( 2.800 3.398 2.325) 4.979 9.544 ( -0.594 -3.878 -2.062) 4.432 9.544 ( -0.594 3.878 -2.062) 4.432 9.826 ( 4.168 -1.351 -0.136) 4.384 9.826 ( 4.168 1.351 -0.136) 4.384 10.275 ( 0.056 -3.285 -2.031) 3.863 10.275 ( 0.056 3.285 -2.031) 3.863 10.383 ( -1.758 -2.023 0.897) 2.826 10.383 ( -1.758 2.023 0.897) 2.826 11.060 ( -3.161 -2.581 1.758) 4.443 11.060 ( -3.161 2.581 1.758) 4.443 11.321 ( -1.160 -0.823 1.435) 2.020 11.321 ( -1.160 0.823 1.435) 2.020 11.562 ( -3.012 -1.768 -1.730) 3.897 11.562 ( -3.012 1.768 -1.730) 3.897 =================== 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 3/22464 10.0 14.373 6.122 7.554 0.000 0.448 0.000 3/22464 20.0 4.294 1.640 1.949 0.000 0.046 0.000 3/22464 30.0 2.532 0.924 1.051 0.000 0.020 0.000 3/22464 40.0 1.843 0.655 0.725 0.000 0.011 0.000 3/22464 50.0 1.474 0.512 0.558 0.000 0.006 0.000 3/22464 60.0 1.240 0.423 0.457 0.000 0.003 0.000 3/22464 70.0 1.075 0.362 0.389 0.000 0.002 0.000 3/22464 80.0 0.952 0.317 0.340 0.000 0.002 0.000 3/22464 90.0 0.856 0.283 0.303 0.000 0.001 0.000 3/22464 100.0 0.779 0.256 0.274 0.000 0.001 0.000 3/22464 110.0 0.715 0.234 0.251 0.000 0.001 0.000 3/22464 120.0 0.662 0.216 0.232 0.000 0.001 0.000 3/22464 130.0 0.616 0.201 0.216 0.000 0.001 0.000 3/22464 140.0 0.576 0.188 0.202 0.000 0.001 0.000 3/22464 150.0 0.542 0.177 0.190 0.000 0.001 0.000 3/22464 160.0 0.511 0.167 0.179 0.000 0.001 0.000 3/22464 170.0 0.484 0.159 0.170 0.000 0.001 0.000 3/22464 180.0 0.460 0.151 0.162 0.000 0.001 0.000 3/22464 190.0 0.438 0.144 0.154 0.000 0.001 0.000 3/22464 200.0 0.418 0.137 0.147 0.000 0.001 0.000 3/22464 210.0 0.400 0.132 0.141 0.000 0.001 0.000 3/22464 220.0 0.383 0.126 0.135 0.000 0.001 0.000 3/22464 230.0 0.368 0.121 0.130 0.000 0.001 0.000 3/22464 240.0 0.353 0.117 0.125 0.000 0.001 0.000 3/22464 250.0 0.340 0.112 0.120 0.000 0.001 0.000 3/22464 260.0 0.328 0.108 0.116 0.000 0.001 0.000 3/22464 270.0 0.317 0.105 0.112 0.000 0.001 0.000 3/22464 280.0 0.306 0.101 0.108 0.000 0.001 0.000 3/22464 290.0 0.296 0.098 0.105 0.000 0.001 0.000 3/22464 300.0 0.287 0.095 0.101 0.000 0.001 0.000 3/22464 310.0 0.278 0.092 0.098 0.000 0.001 0.000 3/22464 320.0 0.270 0.090 0.096 0.000 0.001 0.000 3/22464 330.0 0.262 0.087 0.093 0.000 0.001 0.000 3/22464 340.0 0.255 0.085 0.090 0.000 0.001 0.000 3/22464 350.0 0.248 0.082 0.088 0.000 0.001 0.000 3/22464 360.0 0.241 0.080 0.085 0.000 0.001 0.000 3/22464 370.0 0.235 0.078 0.083 0.000 0.001 0.000 3/22464 380.0 0.229 0.076 0.081 0.000 0.001 0.000 3/22464 390.0 0.223 0.074 0.079 0.000 0.001 0.000 3/22464 400.0 0.218 0.073 0.077 0.000 0.001 0.000 3/22464 410.0 0.213 0.071 0.076 0.000 0.001 0.000 3/22464 420.0 0.208 0.069 0.074 0.000 0.001 0.000 3/22464 430.0 0.203 0.068 0.072 0.000 0.001 0.000 3/22464 440.0 0.199 0.066 0.071 0.000 0.001 0.000 3/22464 450.0 0.194 0.065 0.069 0.000 0.000 0.000 3/22464 460.0 0.190 0.063 0.068 0.000 0.000 0.000 3/22464 470.0 0.186 0.062 0.066 0.000 0.000 0.000 3/22464 480.0 0.183 0.061 0.065 0.000 0.000 0.000 3/22464 490.0 0.179 0.060 0.064 0.000 0.000 0.000 3/22464 500.0 0.175 0.059 0.062 0.000 0.000 0.000 3/22464 510.0 0.172 0.057 0.061 0.000 0.000 0.000 3/22464 520.0 0.169 0.056 0.060 0.000 0.000 0.000 3/22464 530.0 0.166 0.055 0.059 0.000 0.000 0.000 3/22464 540.0 0.163 0.054 0.058 0.000 0.000 0.000 3/22464 550.0 0.160 0.053 0.057 0.000 0.000 0.000 3/22464 560.0 0.157 0.052 0.056 0.000 0.000 0.000 3/22464 570.0 0.154 0.052 0.055 0.000 0.000 0.000 3/22464 580.0 0.152 0.051 0.054 0.000 0.000 0.000 3/22464 590.0 0.149 0.050 0.053 0.000 0.000 0.000 3/22464 600.0 0.147 0.049 0.052 0.000 0.000 0.000 3/22464 610.0 0.144 0.048 0.051 0.000 0.000 0.000 3/22464 620.0 0.142 0.047 0.051 0.000 0.000 0.000 3/22464 630.0 0.140 0.047 0.050 0.000 0.000 0.000 3/22464 640.0 0.138 0.046 0.049 0.000 0.000 0.000 3/22464 650.0 0.136 0.045 0.048 0.000 0.000 0.000 3/22464 660.0 0.134 0.045 0.048 0.000 0.000 0.000 3/22464 670.0 0.132 0.044 0.047 0.000 0.000 0.000 3/22464 680.0 0.130 0.043 0.046 0.000 0.000 0.000 3/22464 690.0 0.128 0.043 0.046 0.000 0.000 0.000 3/22464 700.0 0.126 0.042 0.045 0.000 0.000 0.000 3/22464 710.0 0.124 0.042 0.044 0.000 0.000 0.000 3/22464 720.0 0.123 0.041 0.044 0.000 0.000 0.000 3/22464 730.0 0.121 0.040 0.043 0.000 0.000 0.000 3/22464 740.0 0.119 0.040 0.042 0.000 0.000 0.000 3/22464 750.0 0.118 0.039 0.042 0.000 0.000 0.000 3/22464 760.0 0.116 0.039 0.041 0.000 0.000 0.000 3/22464 770.0 0.115 0.038 0.041 0.000 0.000 0.000 3/22464 780.0 0.113 0.038 0.040 0.000 0.000 0.000 3/22464 790.0 0.112 0.037 0.040 0.000 0.000 0.000 3/22464 800.0 0.111 0.037 0.039 0.000 0.000 0.000 3/22464 810.0 0.109 0.037 0.039 0.000 0.000 0.000 3/22464 820.0 0.108 0.036 0.038 0.000 0.000 0.000 3/22464 830.0 0.107 0.036 0.038 0.000 0.000 0.000 3/22464 840.0 0.105 0.035 0.037 0.000 0.000 0.000 3/22464 850.0 0.104 0.035 0.037 0.000 0.000 0.000 3/22464 860.0 0.103 0.034 0.037 0.000 0.000 0.000 3/22464 870.0 0.102 0.034 0.036 0.000 0.000 0.000 3/22464 880.0 0.101 0.034 0.036 0.000 0.000 0.000 3/22464 890.0 0.099 0.033 0.035 0.000 0.000 0.000 3/22464 900.0 0.098 0.033 0.035 0.000 0.000 0.000 3/22464 910.0 0.097 0.033 0.035 0.000 0.000 0.000 3/22464 920.0 0.096 0.032 0.034 0.000 0.000 0.000 3/22464 930.0 0.095 0.032 0.034 0.000 0.000 0.000 3/22464 940.0 0.094 0.032 0.034 0.000 0.000 0.000 3/22464 950.0 0.093 0.031 0.033 0.000 0.000 0.000 3/22464 960.0 0.092 0.031 0.033 0.000 0.000 0.000 3/22464 970.0 0.091 0.031 0.033 0.000 0.000 0.000 3/22464 980.0 0.090 0.030 0.032 0.000 0.000 0.000 3/22464 990.0 0.089 0.030 0.032 0.000 0.000 0.000 3/22464 1000.0 0.089 0.030 0.032 0.000 0.000 0.000 3/22464 Thermal conductivity related properties were written into "kappa-m1344.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:59:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|